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 1g8x_1_B DATA FIRST_RESID 2 DATA SEQUENCE NPIHDRTSDY HKYLKVKQGD SDLFKLTVSD KRYIWYNPDP DERDSYECGE DATA SEQUENCE IVSETSDSFT FKTVDGQDRQ VKKDDANQRN PIKFDGVEDM SELSYLNEPA DATA SEQUENCE VFHNLRVRYN QDLIYTYSGL FLVAVNPFKR IPIYTQEMVD IFKGRRRNEV DATA SEQUENCE APHIFAISDV AYRSMLDDRQ NQSLLITGES GAGKTENTKK VIQYLASVAG DATA SEQUENCE RNQANGSGVL EQQILQANPI LEAFGNAKTT RNNNSSEFGK FIEIQFNNAG DATA SEQUENCE FISGASIQSY LLEKSRVVFQ SETERNYHIF YQLLAGATAE EKKALHLAGP DATA SEQUENCE ESFNYLNQSG CVDIKGVSDE DEFKITRQAM DIVGFSQEEQ MSIFKIIAGI DATA SEQUENCE LHLGNIKFEK GAGEGAVLKD KTALNAASTV FGVNPSVLEK ALMEPRILAG DATA SEQUENCE RDLVAQHLNV EKSSSSRDAL VKALYGRLFL WLVKKINNVL CSERKAYFIG DATA SEQUENCE VLDISGFEIF KVNSFEQLCI NYTNEKLQQF FNHHMFKVEQ EEYLKEKINW DATA SEQUENCE TFIDFGLDSQ ATIDLIDGRQ PPGILALLDE QSVFPNATDN TLITKLHSHF DATA SEQUENCE SKKNAKYEEP RFSKTEFGVT HYAGQVMYEI QDWLEKNKDP LQQDLELCFK DATA SEQUENCE DSSDNVVTKL FNDPNIASRA KKGANFITVA AQYKEQLASL MATLETTNPH DATA SEQUENCE FVRCIIPNNK QLPAKLEDKV VLDQLRCNGV LEGIRITRKG FPNRIIYADF DATA SEQUENCE VKRYYLLAPN VPRDAEDSQK ATDAVLKHLN IDPEQYRFGI TKIFFRAGQL DATA SEQUENCE ARIEEAREQR LGSEQTKSDY LKRANELVQW INDKQASLES RDFGDSIESV DATA SEQUENCE QSFMNAHKEY KKTEKPPKGQ EVSELEAIYN SLQTKLRLIK REPFVAPAGL DATA SEQUENCE TPNEIDSTWS ALEKAEQEHA EALRIELKRQ KKIAVLLQKY NRILKKLENW DATA SEQUENCE ATTKSVYLGS NETGDSITAV QAKLKNLEAF DGECQSLEGQ SNSDLLSILA DATA SEQUENCE QLTELNYNGV PELTERKDTF FAQQWTGVKS SAETYKNTLL AELERLQKIE DATA SEQUENCE DLHHHHHHH 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 0.000 175.450 175.510 -0.100 0.000 1.280 2 N CA 0.000 53.008 53.050 -0.069 0.000 0.885 2 N CB 0.000 38.455 38.487 -0.054 0.000 1.341 3 P HA -0.114 nan 4.420 nan 0.000 0.217 3 P C 1.334 178.533 177.300 -0.167 0.000 1.148 3 P CA 0.977 64.013 63.100 -0.108 0.000 0.834 3 P CB 0.295 31.919 31.700 -0.126 0.000 0.783 4 I N -1.712 118.581 120.570 -0.462 0.000 2.163 4 I HA -0.216 3.957 4.170 0.004 0.000 0.243 4 I C 0.841 176.822 176.117 -0.225 0.000 1.085 4 I CA 1.283 62.221 61.300 -0.603 0.000 1.347 4 I CB -0.524 36.961 38.000 -0.859 0.000 1.044 4 I HN 0.107 nan 8.210 nan 0.000 0.408 5 H N 0.826 119.910 119.070 0.023 0.000 2.556 5 H HA 0.384 4.942 4.556 0.004 0.000 0.240 5 H C -1.082 174.235 175.328 -0.019 0.000 1.543 5 H CA -0.187 55.877 56.048 0.026 0.000 1.287 5 H CB 0.027 29.783 29.762 -0.010 0.000 1.529 5 H HN 0.157 nan 8.280 nan 0.000 0.553 6 D N 1.393 121.811 120.400 0.030 0.000 2.684 6 D HA 0.034 4.677 4.640 0.004 0.000 0.233 6 D C 0.409 176.629 176.300 -0.134 0.000 1.374 6 D CA -0.505 53.477 54.000 -0.032 0.000 0.906 6 D CB 0.293 41.103 40.800 0.017 0.000 1.526 6 D HN -0.044 nan 8.370 nan 0.000 0.518 7 R N 0.489 120.805 120.500 -0.307 0.000 2.437 7 R HA 0.036 4.379 4.340 0.004 0.000 0.210 7 R C 1.484 177.703 176.300 -0.135 0.000 1.240 7 R CA 1.459 57.331 56.100 -0.379 0.000 1.210 7 R CB -0.894 29.226 30.300 -0.301 0.000 0.843 7 R HN 0.506 nan 8.270 nan 0.000 0.485 8 T N -5.684 108.837 114.554 -0.056 0.000 3.041 8 T HA 0.152 4.504 4.350 0.004 0.000 0.276 8 T C 0.552 175.264 174.700 0.020 0.000 0.948 8 T CA 0.020 62.108 62.100 -0.019 0.000 0.885 8 T CB 0.022 68.878 68.868 -0.021 0.000 1.175 8 T HN 0.097 nan 8.240 nan 0.000 0.529 9 S N 1.129 116.869 115.700 0.068 0.000 2.603 9 S HA 0.292 4.765 4.470 0.004 0.000 0.268 9 S C 0.605 175.283 174.600 0.129 0.000 1.317 9 S CA -0.455 57.808 58.200 0.105 0.000 1.012 9 S CB 0.900 64.180 63.200 0.133 0.000 0.926 9 S HN 0.107 nan 8.310 nan 0.000 0.539 10 D N 0.448 120.941 120.400 0.155 0.000 2.123 10 D HA -0.161 4.481 4.640 0.004 0.000 0.196 10 D C 1.496 177.944 176.300 0.245 0.000 0.992 10 D CA 1.793 55.929 54.000 0.226 0.000 0.833 10 D CB -0.554 40.435 40.800 0.315 0.000 0.954 10 D HN 0.798 nan 8.370 nan 0.000 0.455 11 Y N 1.304 121.666 120.300 0.103 0.000 2.069 11 Y HA -0.306 4.247 4.550 0.004 0.000 0.278 11 Y C 2.424 178.315 175.900 -0.016 0.000 1.175 11 Y CA 1.941 60.065 58.100 0.040 0.000 1.134 11 Y CB -0.392 38.044 38.460 -0.040 0.000 0.965 11 Y HN 0.144 nan 8.280 nan 0.000 0.498 12 H N -0.476 118.645 119.070 0.085 0.000 2.524 12 H HA -0.050 4.508 4.556 0.004 0.000 0.282 12 H C 1.691 176.930 175.328 -0.148 0.000 1.016 12 H CA 1.355 57.375 56.048 -0.047 0.000 1.270 12 H CB 0.348 30.141 29.762 0.052 0.000 1.394 12 H HN 0.251 nan 8.280 nan 0.000 0.568 13 K N -0.373 119.961 120.400 -0.111 0.000 2.211 13 K HA -0.003 4.319 4.320 0.004 0.000 0.201 13 K C 0.987 177.292 176.600 -0.493 0.000 1.052 13 K CA 0.627 56.706 56.287 -0.348 0.000 0.973 13 K CB 0.208 32.380 32.500 -0.548 0.000 0.766 13 K HN 0.217 nan 8.250 nan 0.000 0.466 14 Y N -1.134 119.113 120.300 -0.088 0.000 2.442 14 Y HA 0.307 4.859 4.550 0.004 0.000 0.250 14 Y C 0.950 176.752 175.900 -0.162 0.000 1.113 14 Y CA 0.135 58.169 58.100 -0.110 0.000 1.273 14 Y CB 0.569 38.982 38.460 -0.079 0.000 1.138 14 Y HN -0.163 nan 8.280 nan 0.000 0.522 15 L N -0.889 120.240 121.223 -0.157 0.000 3.086 15 L HA 0.286 4.628 4.340 0.004 0.000 0.274 15 L C -0.134 176.533 176.870 -0.338 0.000 1.184 15 L CA 0.043 54.736 54.840 -0.245 0.000 1.002 15 L CB 0.549 42.391 42.059 -0.361 0.000 1.383 15 L HN -0.270 nan 8.230 nan 0.000 0.582 16 K N 0.925 121.126 120.400 -0.333 0.000 2.316 16 K HA 0.498 4.821 4.320 0.004 0.000 0.251 16 K C -0.529 175.996 176.600 -0.126 0.000 0.934 16 K CA -0.702 55.422 56.287 -0.272 0.000 0.802 16 K CB 3.334 35.571 32.500 -0.438 0.000 1.171 16 K HN -0.321 nan 8.250 nan 0.000 0.426 17 V N 2.481 122.349 119.914 -0.077 0.000 2.872 17 V HA -0.028 4.094 4.120 0.004 0.000 0.307 17 V C 0.369 176.454 176.094 -0.015 0.000 1.072 17 V CA -0.099 62.175 62.300 -0.044 0.000 1.148 17 V CB 0.201 32.008 31.823 -0.027 0.000 0.954 17 V HN 0.481 nan 8.190 nan 0.000 0.490 18 K N 4.910 125.298 120.400 -0.020 0.000 2.166 18 K HA 0.100 4.422 4.320 0.004 0.000 0.273 18 K C 0.618 177.219 176.600 0.002 0.000 1.095 18 K CA 0.248 56.530 56.287 -0.009 0.000 0.985 18 K CB -0.230 32.255 32.500 -0.025 0.000 1.172 18 K HN 0.786 nan 8.250 nan 0.000 0.401 19 Q N 0.711 120.523 119.800 0.020 0.000 2.816 19 Q HA 0.486 4.828 4.340 0.004 0.000 0.220 19 Q C 0.523 176.521 176.000 -0.004 0.000 1.143 19 Q CA -0.438 55.373 55.803 0.014 0.000 0.714 19 Q CB 0.155 28.915 28.738 0.037 0.000 4.503 19 Q HN 0.369 nan 8.270 nan 0.000 0.403 20 G N -0.762 108.031 108.800 -0.012 0.000 2.976 20 G HA2 0.378 4.340 3.960 0.004 0.000 0.276 20 G HA3 0.378 4.340 3.960 0.004 0.000 0.276 20 G C -1.387 173.495 174.900 -0.031 0.000 1.207 20 G CA 0.039 45.126 45.100 -0.022 0.000 0.803 20 G HN 0.791 nan 8.290 nan 0.000 0.572 21 D N -2.265 118.114 120.400 -0.035 0.000 2.480 21 D HA 0.212 4.854 4.640 0.004 0.000 0.276 21 D C -0.089 176.183 176.300 -0.046 0.000 1.294 21 D CA 0.092 54.067 54.000 -0.042 0.000 0.829 21 D CB 0.662 41.437 40.800 -0.040 0.000 1.242 21 D HN 0.221 nan 8.370 nan 0.000 0.513 22 S N 1.498 117.168 115.700 -0.049 0.000 2.532 22 S HA 0.131 4.604 4.470 0.004 0.000 0.256 22 S C 0.259 174.798 174.600 -0.101 0.000 1.298 22 S CA -0.702 57.461 58.200 -0.062 0.000 1.166 22 S CB 0.882 64.059 63.200 -0.038 0.000 1.022 22 S HN 0.303 nan 8.310 nan 0.000 0.480 23 D N 2.240 122.563 120.400 -0.128 0.000 2.371 23 D HA -0.081 4.562 4.640 0.004 0.000 0.221 23 D C 1.384 177.493 176.300 -0.319 0.000 0.986 23 D CA 0.007 53.898 54.000 -0.181 0.000 0.899 23 D CB 0.133 40.840 40.800 -0.155 0.000 0.902 23 D HN 0.416 nan 8.370 nan 0.000 0.530 24 L N 0.011 121.047 121.223 -0.313 0.000 1.855 24 L HA 0.064 4.407 4.340 0.004 0.000 0.232 24 L C -0.071 176.226 176.870 -0.954 0.000 1.090 24 L CA 1.553 56.078 54.840 -0.526 0.000 0.843 24 L CB -0.358 41.608 42.059 -0.155 0.000 0.895 24 L HN -0.031 nan 8.230 nan 0.000 0.431 25 F N 0.062 120.007 119.950 -0.007 0.000 3.164 25 F HA 0.471 5.000 4.527 0.004 0.000 0.375 25 F C -0.444 175.350 175.800 -0.011 0.000 1.257 25 F CA -0.553 57.439 58.000 -0.014 0.000 1.171 25 F CB 0.734 39.727 39.000 -0.012 0.000 1.588 25 F HN 0.009 nan 8.300 nan 0.000 0.604 26 K N 3.706 124.167 120.400 0.101 0.000 2.675 26 K HA 0.322 4.644 4.320 0.004 0.000 0.274 26 K C -0.844 175.776 176.600 0.032 0.000 1.444 26 K CA -0.037 56.289 56.287 0.065 0.000 0.925 26 K CB 0.921 33.450 32.500 0.048 0.000 1.401 26 K HN 0.542 nan 8.250 nan 0.000 0.504 27 L N -0.297 120.948 121.223 0.038 0.000 5.234 27 L HA 0.113 4.455 4.340 0.004 0.000 0.532 27 L C -0.844 176.046 176.870 0.034 0.000 0.771 27 L CA 0.702 55.557 54.840 0.024 0.000 2.180 27 L CB 1.461 43.522 42.059 0.005 0.000 1.966 27 L HN 0.208 nan 8.230 nan 0.000 0.597 28 T N 0.589 115.170 114.554 0.046 0.000 3.331 28 T HA 0.325 4.678 4.350 0.004 0.000 0.381 28 T C 1.182 175.911 174.700 0.048 0.000 1.656 28 T CA 0.472 62.603 62.100 0.051 0.000 1.453 28 T CB 0.796 69.698 68.868 0.056 0.000 1.066 28 T HN 0.104 nan 8.240 nan 0.000 0.655 29 V N -0.787 119.153 119.914 0.044 0.000 3.041 29 V HA 0.213 4.335 4.120 0.004 0.000 0.260 29 V C 1.062 177.179 176.094 0.038 0.000 1.105 29 V CA 0.248 62.570 62.300 0.036 0.000 1.125 29 V CB -0.050 31.792 31.823 0.032 0.000 0.730 29 V HN 0.538 nan 8.190 nan 0.000 0.479 30 S N 1.554 117.285 115.700 0.053 0.000 2.501 30 S HA 0.545 5.017 4.470 0.004 0.000 0.301 30 S C -0.260 174.376 174.600 0.060 0.000 1.096 30 S CA -0.030 58.207 58.200 0.062 0.000 1.063 30 S CB 1.552 64.811 63.200 0.097 0.000 1.042 30 S HN 0.755 nan 8.310 nan 0.000 0.494 31 D N 2.004 122.425 120.400 0.036 0.000 2.720 31 D HA 0.252 4.895 4.640 0.004 0.000 0.285 31 D C -0.491 175.799 176.300 -0.017 0.000 1.359 31 D CA -0.418 53.594 54.000 0.021 0.000 0.818 31 D CB 0.090 40.893 40.800 0.006 0.000 1.108 31 D HN 0.283 nan 8.370 nan 0.000 0.474 32 K N 0.728 121.101 120.400 -0.044 0.000 2.156 32 K HA 0.491 4.814 4.320 0.004 0.000 0.271 32 K C -0.160 176.246 176.600 -0.325 0.000 0.995 32 K CA -0.763 55.389 56.287 -0.225 0.000 0.890 32 K CB 1.719 33.997 32.500 -0.369 0.000 1.073 32 K HN -0.010 nan 8.250 nan 0.000 0.454 33 R N 2.665 122.974 120.500 -0.318 0.000 2.202 33 R HA 0.220 4.562 4.340 0.004 0.000 0.334 33 R C -0.646 175.401 176.300 -0.421 0.000 1.036 33 R CA -0.297 55.664 56.100 -0.231 0.000 0.878 33 R CB 0.265 30.516 30.300 -0.082 0.000 1.067 33 R HN 0.488 nan 8.270 nan 0.000 0.457 34 Y N 1.862 122.037 120.300 -0.209 0.000 2.565 34 Y HA 0.574 5.127 4.550 0.004 0.000 0.325 34 Y C 0.387 175.988 175.900 -0.497 0.000 1.221 34 Y CA -0.937 56.968 58.100 -0.324 0.000 1.316 34 Y CB 1.164 39.378 38.460 -0.410 0.000 1.404 34 Y HN 0.385 nan 8.280 nan 0.000 0.527 35 I N -0.563 119.768 120.570 -0.398 0.000 2.913 35 I HA 0.300 4.472 4.170 0.004 0.000 0.302 35 I C -1.911 173.861 176.117 -0.575 0.000 1.246 35 I CA -0.989 59.964 61.300 -0.577 0.000 1.010 35 I CB 1.795 39.443 38.000 -0.587 0.000 1.259 35 I HN 0.622 nan 8.210 nan 0.000 0.434 36 W N 7.105 128.233 121.300 -0.286 0.000 2.332 36 W HA 0.428 5.090 4.660 0.004 0.000 0.306 36 W C -0.746 175.730 176.519 -0.072 0.000 1.149 36 W CA -0.444 56.759 57.345 -0.237 0.000 1.271 36 W CB 0.786 30.038 29.460 -0.347 0.000 1.243 36 W HN 0.348 nan 8.180 nan 0.000 0.459 37 Y N 0.163 120.597 120.300 0.224 0.000 2.662 37 Y HA 0.595 5.147 4.550 0.004 0.000 0.335 37 Y C -0.958 175.061 175.900 0.199 0.000 1.066 37 Y CA -2.523 55.667 58.100 0.149 0.000 1.116 37 Y CB 0.785 39.202 38.460 -0.073 0.000 1.308 37 Y HN 0.319 nan 8.280 nan 0.000 0.502 38 N N 3.581 122.535 118.700 0.423 0.000 2.500 38 N HA 0.304 5.046 4.740 0.004 0.000 0.236 38 N C -2.244 173.500 175.510 0.390 0.000 1.022 38 N CA -1.770 51.364 53.050 0.139 0.000 0.935 38 N CB 1.305 39.779 38.487 -0.022 0.000 1.147 38 N HN 0.490 nan 8.380 nan 0.000 0.512 39 P HA -0.175 nan 4.420 nan 0.000 0.216 39 P C -0.564 176.856 177.300 0.200 0.000 1.157 39 P CA 1.528 64.892 63.100 0.440 0.000 0.880 39 P CB 0.277 32.122 31.700 0.242 0.000 0.791 40 D N -0.939 119.518 120.400 0.095 0.000 2.471 40 D HA 0.236 4.878 4.640 0.004 0.000 0.245 40 D C -1.968 174.339 176.300 0.011 0.000 1.116 40 D CA -2.009 52.016 54.000 0.041 0.000 0.853 40 D CB 1.087 41.895 40.800 0.013 0.000 1.123 40 D HN -0.064 nan 8.370 nan 0.000 0.540 41 P HA -0.185 nan 4.420 nan 0.000 0.223 41 P C 0.886 178.169 177.300 -0.028 0.000 1.140 41 P CA 0.906 64.006 63.100 -0.000 0.000 0.783 41 P CB 0.482 32.187 31.700 0.009 0.000 0.759 42 D N 0.271 120.653 120.400 -0.030 0.000 2.088 42 D HA -0.147 4.496 4.640 0.004 0.000 0.191 42 D C 0.488 176.749 176.300 -0.065 0.000 0.992 42 D CA 1.028 55.003 54.000 -0.041 0.000 0.831 42 D CB -0.257 40.522 40.800 -0.035 0.000 0.973 42 D HN 0.176 nan 8.370 nan 0.000 0.447 43 E N 0.528 120.676 120.200 -0.087 0.000 2.180 43 E HA 0.061 4.413 4.350 0.004 0.000 0.283 43 E C 0.781 177.271 176.600 -0.185 0.000 1.061 43 E CA -0.370 55.954 56.400 -0.126 0.000 0.861 43 E CB 1.557 31.176 29.700 -0.135 0.000 1.056 43 E HN 0.259 nan 8.360 nan 0.000 0.407 44 R N 3.099 123.497 120.500 -0.171 0.000 2.115 44 R HA -0.108 4.235 4.340 0.004 0.000 0.226 44 R C -0.103 176.010 176.300 -0.312 0.000 1.100 44 R CA 1.151 57.135 56.100 -0.194 0.000 0.980 44 R CB 0.342 30.575 30.300 -0.111 0.000 0.875 44 R HN 0.390 nan 8.270 nan 0.000 0.445 45 D N 0.472 120.702 120.400 -0.283 0.000 2.427 45 D HA 0.160 4.803 4.640 0.004 0.000 0.224 45 D C -0.733 175.335 176.300 -0.388 0.000 1.157 45 D CA 0.196 54.027 54.000 -0.281 0.000 0.828 45 D CB 0.946 41.638 40.800 -0.179 0.000 0.974 45 D HN -0.027 nan 8.370 nan 0.000 0.498 46 S N 0.116 115.491 115.700 -0.542 0.000 2.473 46 S HA 0.555 5.028 4.470 0.004 0.000 0.307 46 S C -0.779 173.471 174.600 -0.584 0.000 1.094 46 S CA -0.568 57.391 58.200 -0.401 0.000 1.070 46 S CB 1.255 64.310 63.200 -0.240 0.000 1.019 46 S HN 0.046 nan 8.310 nan 0.000 0.480 47 Y N 0.668 120.872 120.300 -0.160 0.000 2.605 47 Y HA 0.643 5.195 4.550 0.004 0.000 0.343 47 Y C 0.242 176.055 175.900 -0.146 0.000 1.036 47 Y CA -0.939 57.075 58.100 -0.144 0.000 1.065 47 Y CB 1.434 39.800 38.460 -0.156 0.000 1.288 47 Y HN 0.410 nan 8.280 nan 0.000 0.481 48 E N 0.879 121.003 120.200 -0.128 0.000 2.343 48 E HA 0.388 4.740 4.350 0.004 0.000 0.278 48 E C -1.477 174.834 176.600 -0.482 0.000 0.910 48 E CA -0.626 55.560 56.400 -0.356 0.000 0.757 48 E CB 2.334 31.627 29.700 -0.678 0.000 1.218 48 E HN 0.769 nan 8.360 nan 0.000 0.435 49 C N 0.597 119.763 119.300 -0.224 0.000 2.366 49 C HA 1.014 5.476 4.460 0.004 0.000 0.345 49 C C 0.584 175.539 174.990 -0.059 0.000 1.209 49 C CA -0.227 58.581 59.018 -0.349 0.000 2.050 49 C CB 0.470 27.742 27.740 -0.781 0.000 2.359 49 C HN 0.687 nan 8.230 nan 0.000 0.527 50 G N 1.952 110.809 108.800 0.097 0.000 2.680 50 G HA2 0.575 4.537 3.960 0.004 0.000 0.290 50 G HA3 0.575 4.537 3.960 0.004 0.000 0.290 50 G C -1.399 173.667 174.900 0.277 0.000 1.355 50 G CA -0.512 44.792 45.100 0.341 0.000 0.903 50 G HN 0.916 nan 8.290 nan 0.000 0.474 51 E N -0.278 120.044 120.200 0.204 0.000 2.373 51 E HA 0.181 4.534 4.350 0.004 0.000 0.263 51 E C -0.108 176.506 176.600 0.024 0.000 1.073 51 E CA -0.342 56.006 56.400 -0.086 0.000 0.894 51 E CB 1.395 31.042 29.700 -0.088 0.000 1.008 51 E HN 0.115 nan 8.360 nan 0.000 0.420 52 I N 3.851 124.384 120.570 -0.062 0.000 2.312 52 I HA -0.013 4.160 4.170 0.004 0.000 0.291 52 I C 1.320 177.473 176.117 0.060 0.000 1.031 52 I CA 0.132 61.478 61.300 0.077 0.000 1.293 52 I CB 0.909 38.970 38.000 0.101 0.000 1.403 52 I HN 0.440 nan 8.210 nan 0.000 0.484 53 V N 5.141 125.106 119.914 0.085 0.000 2.221 53 V HA -0.103 4.019 4.120 0.004 0.000 0.240 53 V C 0.999 177.107 176.094 0.024 0.000 1.041 53 V CA 1.362 63.682 62.300 0.033 0.000 0.991 53 V CB -0.172 31.659 31.823 0.012 0.000 0.634 53 V HN 0.848 nan 8.190 nan 0.000 0.450 54 S N -0.674 115.044 115.700 0.029 0.000 2.599 54 S HA 0.243 4.716 4.470 0.004 0.000 0.269 54 S C -0.547 174.028 174.600 -0.042 0.000 1.135 54 S CA -0.851 57.345 58.200 -0.008 0.000 1.027 54 S CB 0.772 63.958 63.200 -0.025 0.000 1.129 54 S HN 0.643 nan 8.310 nan 0.000 0.458 55 E N 2.465 122.593 120.200 -0.120 0.000 2.435 55 E HA 0.462 4.814 4.350 0.004 0.000 0.256 55 E C 0.213 176.675 176.600 -0.230 0.000 1.245 55 E CA -0.396 55.804 56.400 -0.332 0.000 0.989 55 E CB 0.329 29.604 29.700 -0.710 0.000 0.983 55 E HN 0.557 nan 8.360 nan 0.000 0.480 56 T N -3.074 111.324 114.554 -0.259 0.000 2.887 56 T HA 0.280 4.633 4.350 0.004 0.000 0.292 56 T C 0.164 174.766 174.700 -0.164 0.000 1.087 56 T CA -0.880 61.127 62.100 -0.155 0.000 1.009 56 T CB 1.447 70.255 68.868 -0.100 0.000 1.203 56 T HN 0.296 nan 8.240 nan 0.000 0.518 57 S N 0.442 116.080 115.700 -0.103 0.000 2.954 57 S HA 0.135 4.608 4.470 0.004 0.000 0.234 57 S C 0.314 174.875 174.600 -0.065 0.000 0.978 57 S CA 0.491 58.642 58.200 -0.082 0.000 1.045 57 S CB -0.800 62.369 63.200 -0.051 0.000 0.807 57 S HN 0.876 nan 8.310 nan 0.000 0.508 58 D N -0.209 120.143 120.400 -0.080 0.000 1.979 58 D HA 0.055 4.698 4.640 0.004 0.000 0.399 58 D C 0.416 176.696 176.300 -0.033 0.000 1.016 58 D CA 0.644 54.619 54.000 -0.041 0.000 0.928 58 D CB 0.439 41.225 40.800 -0.023 0.000 1.739 58 D HN 0.344 nan 8.370 nan 0.000 0.537 59 S N -1.696 113.959 115.700 -0.075 0.000 2.727 59 S HA 0.649 5.122 4.470 0.004 0.000 0.278 59 S C -1.075 173.452 174.600 -0.123 0.000 1.186 59 S CA -0.920 57.274 58.200 -0.010 0.000 0.836 59 S CB 0.953 64.190 63.200 0.062 0.000 1.186 59 S HN -0.037 nan 8.310 nan 0.000 0.499 60 F N 0.479 120.454 119.950 0.043 0.000 2.585 60 F HA 0.807 5.336 4.527 0.004 0.000 0.350 60 F C 0.387 176.231 175.800 0.074 0.000 1.074 60 F CA -0.366 57.670 58.000 0.060 0.000 1.032 60 F CB 2.364 41.414 39.000 0.083 0.000 1.330 60 F HN 0.670 nan 8.300 nan 0.000 0.495 61 T N 1.890 116.640 114.554 0.327 0.000 3.071 61 T HA 0.545 4.897 4.350 0.004 0.000 0.311 61 T C -1.555 173.263 174.700 0.196 0.000 1.042 61 T CA -0.532 61.647 62.100 0.131 0.000 1.028 61 T CB 1.018 69.899 68.868 0.023 0.000 1.068 61 T HN 0.422 nan 8.240 nan 0.000 0.451 62 F N -0.020 119.943 119.950 0.021 0.000 2.613 62 F HA 0.788 5.317 4.527 0.004 0.000 0.310 62 F C -0.756 175.028 175.800 -0.027 0.000 1.085 62 F CA -1.377 56.623 58.000 0.000 0.000 0.945 62 F CB 1.634 40.637 39.000 0.005 0.000 1.298 62 F HN 0.342 nan 8.300 nan 0.000 0.455 63 K N 2.221 122.704 120.400 0.138 0.000 2.211 63 K HA 0.380 4.703 4.320 0.004 0.000 0.275 63 K C 0.452 177.182 176.600 0.216 0.000 1.024 63 K CA -0.167 56.155 56.287 0.059 0.000 0.887 63 K CB 1.395 33.930 32.500 0.060 0.000 1.084 63 K HN 1.004 nan 8.250 nan 0.000 0.463 64 T N -0.563 114.057 114.554 0.109 0.000 5.430 64 T HA -0.013 4.340 4.350 0.004 0.000 0.400 64 T C 0.999 175.864 174.700 0.275 0.000 0.998 64 T CA 0.047 62.287 62.100 0.234 0.000 0.892 64 T CB 0.009 68.913 68.868 0.061 0.000 1.448 64 T HN 0.247 nan 8.240 nan 0.000 0.414 65 V N 1.535 121.601 119.914 0.252 0.000 3.043 65 V HA 0.356 4.479 4.120 0.004 0.000 0.357 65 V C -0.365 175.797 176.094 0.113 0.000 1.372 65 V CA -0.026 62.382 62.300 0.179 0.000 1.214 65 V CB -0.894 31.035 31.823 0.177 0.000 1.224 65 V HN 0.767 nan 8.190 nan 0.000 0.507 66 D N 0.353 120.806 120.400 0.089 0.000 2.714 66 D HA 0.420 5.063 4.640 0.004 0.000 0.136 66 D C 1.441 177.759 176.300 0.029 0.000 1.483 66 D CA 0.843 54.873 54.000 0.052 0.000 1.530 66 D CB 0.443 41.268 40.800 0.041 0.000 1.795 66 D HN 0.250 nan 8.370 nan 0.000 0.226 67 G N 0.219 109.025 108.800 0.009 0.000 4.806 67 G HA2 0.009 3.972 3.960 0.004 0.000 0.222 67 G HA3 0.009 3.972 3.960 0.004 0.000 0.222 67 G C -0.801 174.071 174.900 -0.047 0.000 0.789 67 G CA -0.508 44.584 45.100 -0.014 0.000 1.154 67 G HN 0.054 nan 8.290 nan 0.000 0.693 68 Q N 1.484 121.246 119.800 -0.064 0.000 3.207 68 Q HA 0.279 4.622 4.340 0.004 0.000 0.335 68 Q C -0.971 174.903 176.000 -0.210 0.000 1.374 68 Q CA -0.540 55.195 55.803 -0.113 0.000 1.023 68 Q CB 0.227 28.904 28.738 -0.101 0.000 1.576 68 Q HN 0.265 nan 8.270 nan 0.000 0.515 69 D N 2.504 122.786 120.400 -0.197 0.000 2.433 69 D HA -0.041 4.601 4.640 0.004 0.000 0.274 69 D C -0.157 175.898 176.300 -0.409 0.000 1.344 69 D CA 0.608 54.434 54.000 -0.290 0.000 0.989 69 D CB 0.308 41.003 40.800 -0.176 0.000 1.116 69 D HN 0.191 nan 8.370 nan 0.000 0.533 70 R N 2.190 122.236 120.500 -0.757 0.000 2.573 70 R HA 0.479 4.821 4.340 0.004 0.000 0.272 70 R C 0.177 176.044 176.300 -0.722 0.000 1.009 70 R CA -0.840 54.834 56.100 -0.710 0.000 1.059 70 R CB 1.379 31.243 30.300 -0.726 0.000 1.112 70 R HN 0.362 nan 8.270 nan 0.000 0.517 71 Q N 0.878 120.498 119.800 -0.301 0.000 2.309 71 Q HA 0.524 4.866 4.340 0.004 0.000 0.264 71 Q C -1.283 174.758 176.000 0.068 0.000 1.008 71 Q CA -0.799 54.950 55.803 -0.090 0.000 0.853 71 Q CB 2.827 31.534 28.738 -0.051 0.000 1.314 71 Q HN 0.302 nan 8.270 nan 0.000 0.448 72 V N 1.944 121.984 119.914 0.210 0.000 2.841 72 V HA 0.369 4.492 4.120 0.004 0.000 0.310 72 V C -1.210 175.007 176.094 0.205 0.000 1.090 72 V CA -0.885 61.552 62.300 0.228 0.000 0.930 72 V CB 2.159 34.175 31.823 0.320 0.000 1.014 72 V HN 0.673 nan 8.190 nan 0.000 0.425 73 K N 4.713 125.201 120.400 0.147 0.000 2.430 73 K HA 0.077 4.399 4.320 0.004 0.000 0.280 73 K C 1.231 177.937 176.600 0.177 0.000 1.063 73 K CA 1.060 57.424 56.287 0.128 0.000 1.071 73 K CB 0.415 32.968 32.500 0.090 0.000 0.899 73 K HN 0.761 nan 8.250 nan 0.000 0.473 74 K N 3.190 123.722 120.400 0.220 0.000 2.293 74 K HA -0.226 4.097 4.320 0.004 0.000 0.204 74 K C 0.529 177.250 176.600 0.201 0.000 1.045 74 K CA 1.887 58.375 56.287 0.336 0.000 0.933 74 K CB 0.103 32.720 32.500 0.196 0.000 0.736 74 K HN 0.726 nan 8.250 nan 0.000 0.463 75 D N 0.207 120.683 120.400 0.127 0.000 2.325 75 D HA -0.032 4.611 4.640 0.004 0.000 0.225 75 D C 0.172 176.518 176.300 0.078 0.000 1.096 75 D CA 0.425 54.480 54.000 0.093 0.000 0.844 75 D CB 0.366 41.209 40.800 0.072 0.000 0.925 75 D HN 0.273 nan 8.370 nan 0.000 0.513 76 D N -0.792 119.658 120.400 0.083 0.000 2.399 76 D HA 0.113 4.755 4.640 0.004 0.000 0.269 76 D C 0.714 177.043 176.300 0.048 0.000 1.105 76 D CA -0.067 53.973 54.000 0.066 0.000 0.844 76 D CB 0.744 41.588 40.800 0.074 0.000 1.372 76 D HN 0.082 nan 8.370 nan 0.000 0.517 77 A N 1.116 123.957 122.820 0.036 0.000 2.521 77 A HA 0.137 4.460 4.320 0.004 0.000 0.237 77 A C 0.295 177.812 177.584 -0.112 0.000 1.087 77 A CA 0.443 52.446 52.037 -0.057 0.000 0.777 77 A CB 0.183 19.084 19.000 -0.165 0.000 1.035 77 A HN 0.052 nan 8.150 nan 0.000 0.510 78 N N 1.397 120.006 118.700 -0.152 0.000 2.746 78 N HA 0.203 4.946 4.740 0.004 0.000 0.250 78 N C -1.030 174.334 175.510 -0.243 0.000 1.146 78 N CA -0.123 52.857 53.050 -0.117 0.000 0.828 78 N CB 1.313 39.809 38.487 0.016 0.000 1.158 78 N HN 0.686 nan 8.380 nan 0.000 0.519 79 Q N 0.609 120.109 119.800 -0.500 0.000 2.373 79 Q HA 0.160 4.502 4.340 0.004 0.000 0.255 79 Q C 0.371 176.086 176.000 -0.474 0.000 0.980 79 Q CA 0.050 55.406 55.803 -0.744 0.000 0.882 79 Q CB 1.836 29.727 28.738 -1.412 0.000 1.249 79 Q HN 0.283 nan 8.270 nan 0.000 0.438 80 R N 2.813 122.999 120.500 -0.523 0.000 2.265 80 R HA 0.107 4.449 4.340 0.004 0.000 0.314 80 R C -0.368 175.969 176.300 0.062 0.000 1.053 80 R CA -0.451 55.411 56.100 -0.397 0.000 0.931 80 R CB 0.546 30.289 30.300 -0.929 0.000 1.024 80 R HN 0.613 nan 8.270 nan 0.000 0.457 81 N N 4.422 123.269 118.700 0.245 0.000 2.344 81 N HA 0.052 4.795 4.740 0.004 0.000 0.236 81 N C -2.332 173.308 175.510 0.216 0.000 1.279 81 N CA -0.592 52.557 53.050 0.165 0.000 0.882 81 N CB 0.439 38.877 38.487 -0.081 0.000 1.110 81 N HN 0.472 nan 8.380 nan 0.000 0.436 82 P HA 0.189 nan 4.420 nan 0.000 0.275 82 P C 1.159 178.655 177.300 0.328 0.000 1.228 82 P CA -0.326 62.955 63.100 0.302 0.000 0.786 82 P CB 0.782 32.662 31.700 0.300 0.000 0.927 83 I N 1.156 121.852 120.570 0.211 0.000 2.231 83 I HA -0.372 3.800 4.170 0.004 0.000 0.251 83 I C 2.219 178.419 176.117 0.139 0.000 1.076 83 I CA 1.660 63.061 61.300 0.168 0.000 1.347 83 I CB -0.419 37.648 38.000 0.112 0.000 1.038 83 I HN 0.565 nan 8.210 nan 0.000 0.429 84 K N 1.261 121.712 120.400 0.085 0.000 2.281 84 K HA -0.187 4.136 4.320 0.004 0.000 0.203 84 K C 1.783 178.304 176.600 -0.132 0.000 1.046 84 K CA 1.690 57.935 56.287 -0.070 0.000 0.938 84 K CB -0.198 32.188 32.500 -0.190 0.000 0.737 84 K HN 0.288 nan 8.250 nan 0.000 0.458 85 F N 1.378 121.367 119.950 0.065 0.000 2.664 85 F HA 0.060 4.590 4.527 0.005 0.000 0.296 85 F C 0.377 176.221 175.800 0.073 0.000 1.125 85 F CA -0.188 57.852 58.000 0.067 0.000 1.444 85 F CB -0.001 39.044 39.000 0.075 0.000 1.114 85 F HN -0.136 nan 8.300 nan 0.000 0.576 86 D N 0.593 121.140 120.400 0.245 0.000 2.451 86 D HA 0.305 4.948 4.640 0.004 0.000 0.254 86 D C 1.254 177.589 176.300 0.060 0.000 1.204 86 D CA 1.272 55.362 54.000 0.151 0.000 0.896 86 D CB 0.450 41.339 40.800 0.149 0.000 1.136 86 D HN 0.399 nan 8.370 nan 0.000 0.499 87 G N 1.320 110.132 108.800 0.020 0.000 2.159 87 G HA2 -0.237 3.726 3.960 0.004 0.000 0.227 87 G HA3 -0.237 3.726 3.960 0.004 0.000 0.227 87 G C 0.421 175.334 174.900 0.022 0.000 0.986 87 G CA 0.008 45.105 45.100 -0.006 0.000 0.651 87 G HN 0.778 nan 8.290 nan 0.000 0.523 88 V N -1.289 118.665 119.914 0.066 0.000 2.694 88 V HA 0.380 4.503 4.120 0.004 0.000 0.306 88 V C 1.382 177.523 176.094 0.079 0.000 1.054 88 V CA 0.993 63.344 62.300 0.084 0.000 1.161 88 V CB 0.943 32.852 31.823 0.144 0.000 0.916 88 V HN 0.401 nan 8.190 nan 0.000 0.490 89 E N 1.523 121.776 120.200 0.088 0.000 2.409 89 E HA -0.051 4.302 4.350 0.004 0.000 0.198 89 E C 0.127 176.840 176.600 0.188 0.000 1.024 89 E CA 0.955 57.420 56.400 0.109 0.000 0.861 89 E CB 0.174 29.953 29.700 0.132 0.000 0.788 89 E HN 0.904 nan 8.360 nan 0.000 0.521 90 D N -0.581 119.932 120.400 0.188 0.000 2.855 90 D HA 0.076 4.718 4.640 0.004 0.000 0.241 90 D C 0.890 177.293 176.300 0.171 0.000 1.277 90 D CA -0.370 53.766 54.000 0.226 0.000 0.918 90 D CB 1.179 42.109 40.800 0.217 0.000 1.462 90 D HN -0.253 nan 8.370 nan 0.000 0.559 91 M N 1.677 121.374 119.600 0.163 0.000 2.144 91 M HA -0.149 4.333 4.480 0.004 0.000 0.260 91 M C 1.850 178.227 176.300 0.128 0.000 1.067 91 M CA 1.179 56.558 55.300 0.131 0.000 1.095 91 M CB -1.357 31.318 32.600 0.125 0.000 1.365 91 M HN 0.509 nan 8.290 nan 0.000 0.406 92 S N -0.524 115.255 115.700 0.132 0.000 2.595 92 S HA -0.063 4.410 4.470 0.004 0.000 0.235 92 S C 1.279 175.946 174.600 0.113 0.000 0.974 92 S CA 0.615 58.882 58.200 0.112 0.000 0.942 92 S CB -0.537 62.721 63.200 0.097 0.000 0.766 92 S HN 0.581 nan 8.310 nan 0.000 0.536 93 E N 0.449 120.735 120.200 0.144 0.000 2.474 93 E HA 0.243 4.595 4.350 0.004 0.000 0.194 93 E C -0.073 176.697 176.600 0.283 0.000 1.041 93 E CA -0.206 56.309 56.400 0.192 0.000 0.874 93 E CB 0.071 29.885 29.700 0.189 0.000 0.914 93 E HN 0.563 nan 8.360 nan 0.000 0.498 94 L N 0.955 122.277 121.223 0.166 0.000 2.426 94 L HA 0.017 4.359 4.340 0.004 0.000 0.271 94 L C 1.567 178.337 176.870 -0.167 0.000 1.169 94 L CA -0.111 54.717 54.840 -0.020 0.000 0.836 94 L CB 1.057 43.109 42.059 -0.011 0.000 1.112 94 L HN 0.025 nan 8.230 nan 0.000 0.465 95 S N 2.004 117.351 115.700 -0.588 0.000 2.327 95 S HA 0.037 4.510 4.470 0.004 0.000 0.213 95 S C 0.534 174.949 174.600 -0.309 0.000 1.032 95 S CA 0.100 58.019 58.200 -0.468 0.000 0.960 95 S CB -0.054 62.672 63.200 -0.790 0.000 0.900 95 S HN 0.405 nan 8.310 nan 0.000 0.469 96 Y N 1.959 122.111 120.300 -0.248 0.000 2.436 96 Y HA 0.337 4.890 4.550 0.004 0.000 0.336 96 Y C -0.271 175.581 175.900 -0.079 0.000 1.049 96 Y CA -0.521 57.504 58.100 -0.126 0.000 1.294 96 Y CB 0.365 38.755 38.460 -0.118 0.000 1.179 96 Y HN 0.193 nan 8.280 nan 0.000 0.520 97 L N 5.862 127.156 121.223 0.120 0.000 2.494 97 L HA 0.330 4.673 4.340 0.004 0.000 0.251 97 L C -0.597 176.306 176.870 0.055 0.000 1.119 97 L CA -0.106 54.777 54.840 0.072 0.000 1.026 97 L CB -0.408 41.690 42.059 0.066 0.000 1.370 97 L HN 0.727 nan 8.230 nan 0.000 0.426 98 N N 0.026 118.748 118.700 0.037 0.000 2.563 98 N HA 0.308 5.050 4.740 0.004 0.000 0.288 98 N C 0.370 175.835 175.510 -0.074 0.000 1.246 98 N CA -0.901 52.138 53.050 -0.018 0.000 0.946 98 N CB 1.580 40.048 38.487 -0.032 0.000 1.213 98 N HN 0.282 nan 8.380 nan 0.000 0.578 99 E N 0.276 120.399 120.200 -0.129 0.000 2.033 99 E HA -0.053 4.300 4.350 0.004 0.000 0.189 99 E C -0.935 175.480 176.600 -0.310 0.000 0.979 99 E CA 0.699 57.013 56.400 -0.143 0.000 0.802 99 E CB -0.555 29.101 29.700 -0.073 0.000 0.763 99 E HN 0.505 nan 8.360 nan 0.000 0.449 100 P HA -0.119 nan 4.420 nan 0.000 0.222 100 P C 0.817 177.521 177.300 -0.993 0.000 1.147 100 P CA 1.298 63.697 63.100 -1.169 0.000 0.790 100 P CB 0.216 30.631 31.700 -2.142 0.000 0.780 101 A N 0.129 122.619 122.820 -0.551 0.000 1.874 101 A HA -0.042 4.281 4.320 0.004 0.000 0.214 101 A C 2.440 179.990 177.584 -0.057 0.000 1.189 101 A CA 1.302 53.252 52.037 -0.144 0.000 0.615 101 A CB -1.467 17.583 19.000 0.083 0.000 0.830 101 A HN 0.036 nan 8.150 nan 0.000 0.443 102 V N -0.935 118.940 119.914 -0.064 0.000 2.407 102 V HA -0.228 3.895 4.120 0.004 0.000 0.248 102 V C 2.280 178.351 176.094 -0.039 0.000 1.055 102 V CA 2.125 64.413 62.300 -0.020 0.000 1.049 102 V CB -0.921 30.901 31.823 -0.001 0.000 0.662 102 V HN 0.634 nan 8.190 nan 0.000 0.455 103 F N 1.003 120.833 119.950 -0.200 0.000 2.084 103 F HA -0.185 4.345 4.527 0.004 0.000 0.296 103 F C 2.466 178.161 175.800 -0.175 0.000 1.111 103 F CA 2.269 60.149 58.000 -0.200 0.000 1.224 103 F CB -0.685 38.164 39.000 -0.251 0.000 0.991 103 F HN 0.304 nan 8.300 nan 0.000 0.471 104 H N 0.441 119.257 119.070 -0.424 0.000 2.321 104 H HA -0.239 4.319 4.556 0.004 0.000 0.295 104 H C 2.315 177.480 175.328 -0.272 0.000 1.102 104 H CA 2.442 58.256 56.048 -0.391 0.000 1.266 104 H CB -0.847 28.794 29.762 -0.201 0.000 1.363 104 H HN 0.412 nan 8.280 nan 0.000 0.492 105 N N -0.379 118.194 118.700 -0.212 0.000 2.058 105 N HA -0.164 4.578 4.740 0.004 0.000 0.191 105 N C 1.982 177.342 175.510 -0.250 0.000 1.037 105 N CA 1.304 54.241 53.050 -0.188 0.000 0.848 105 N CB -0.182 38.289 38.487 -0.027 0.000 1.021 105 N HN 0.310 nan 8.380 nan 0.000 0.422 106 L N 2.199 123.261 121.223 -0.268 0.000 2.081 106 L HA -0.149 4.193 4.340 0.004 0.000 0.212 106 L C 2.648 179.320 176.870 -0.331 0.000 1.080 106 L CA 1.509 56.191 54.840 -0.263 0.000 0.754 106 L CB -0.660 41.237 42.059 -0.269 0.000 0.893 106 L HN 0.199 nan 8.230 nan 0.000 0.433 107 R N -1.383 118.780 120.500 -0.562 0.000 2.090 107 R HA -0.095 4.248 4.340 0.004 0.000 0.228 107 R C 2.094 178.228 176.300 -0.277 0.000 1.110 107 R CA 1.438 57.250 56.100 -0.479 0.000 0.973 107 R CB -0.226 29.641 30.300 -0.722 0.000 0.869 107 R HN 0.259 nan 8.270 nan 0.000 0.440 108 V N 1.388 121.086 119.914 -0.359 0.000 2.392 108 V HA -0.238 3.885 4.120 0.004 0.000 0.249 108 V C 2.389 178.399 176.094 -0.139 0.000 1.059 108 V CA 2.026 64.174 62.300 -0.253 0.000 1.051 108 V CB -0.488 31.158 31.823 -0.296 0.000 0.658 108 V HN 0.397 nan 8.190 nan 0.000 0.455 109 R N -1.555 118.869 120.500 -0.126 0.000 2.093 109 R HA -0.100 4.242 4.340 0.004 0.000 0.224 109 R C 2.320 178.591 176.300 -0.047 0.000 1.101 109 R CA 1.462 57.515 56.100 -0.078 0.000 0.979 109 R CB -0.392 29.866 30.300 -0.070 0.000 0.877 109 R HN 0.576 nan 8.270 nan 0.000 0.441 110 Y N 1.689 121.889 120.300 -0.166 0.000 2.352 110 Y HA -0.104 4.449 4.550 0.005 0.000 0.292 110 Y C 1.316 177.151 175.900 -0.109 0.000 1.136 110 Y CA 1.295 59.309 58.100 -0.145 0.000 1.227 110 Y CB -0.007 38.359 38.460 -0.157 0.000 0.991 110 Y HN -0.018 nan 8.280 nan 0.000 0.545 111 N N -0.009 118.686 118.700 -0.010 0.000 2.515 111 N HA -0.057 4.685 4.740 0.004 0.000 0.185 111 N C 0.648 176.103 175.510 -0.091 0.000 1.109 111 N CA 0.842 53.864 53.050 -0.046 0.000 0.903 111 N CB 0.015 38.493 38.487 -0.015 0.000 0.969 111 N HN 0.509 nan 8.380 nan 0.000 0.450 112 Q N -0.344 119.391 119.800 -0.109 0.000 2.172 112 Q HA 0.123 4.465 4.340 0.004 0.000 0.217 112 Q C -0.778 175.148 176.000 -0.123 0.000 0.832 112 Q CA -0.131 55.614 55.803 -0.098 0.000 1.010 112 Q CB 0.776 29.466 28.738 -0.080 0.000 1.133 112 Q HN 0.083 nan 8.270 nan 0.000 0.489 113 D N 0.109 120.385 120.400 -0.206 0.000 2.981 113 D HA -0.163 4.480 4.640 0.004 0.000 0.223 113 D C -0.838 175.340 176.300 -0.204 0.000 1.151 113 D CA 0.772 54.621 54.000 -0.251 0.000 0.827 113 D CB -1.155 39.564 40.800 -0.135 0.000 1.101 113 D HN 0.326 nan 8.370 nan 0.000 0.426 114 L N 1.539 122.659 121.223 -0.172 0.000 2.352 114 L HA 0.317 4.659 4.340 0.004 0.000 0.272 114 L C 2.041 178.832 176.870 -0.133 0.000 1.109 114 L CA -0.447 54.319 54.840 -0.124 0.000 0.952 114 L CB 0.218 42.225 42.059 -0.086 0.000 1.314 114 L HN 0.155 nan 8.230 nan 0.000 0.427 115 I N -1.236 119.194 120.570 -0.232 0.000 3.291 115 I HA 0.015 4.187 4.170 0.004 0.000 0.279 115 I C -0.076 175.794 176.117 -0.411 0.000 1.294 115 I CA 0.403 61.520 61.300 -0.304 0.000 1.428 115 I CB -0.187 37.521 38.000 -0.488 0.000 1.070 115 I HN 0.236 nan 8.210 nan 0.000 0.478 116 Y N 1.129 121.336 120.300 -0.155 0.000 2.377 116 Y HA 0.637 5.189 4.550 0.004 0.000 0.339 116 Y C -0.004 175.758 175.900 -0.230 0.000 1.011 116 Y CA -0.769 57.203 58.100 -0.213 0.000 1.093 116 Y CB 2.012 40.296 38.460 -0.293 0.000 1.201 116 Y HN -0.096 nan 8.280 nan 0.000 0.455 117 T N 1.795 116.301 114.554 -0.080 0.000 2.932 117 T HA 0.342 4.695 4.350 0.004 0.000 0.318 117 T C -1.490 173.137 174.700 -0.122 0.000 1.265 117 T CA -1.010 61.014 62.100 -0.127 0.000 1.036 117 T CB 0.882 69.729 68.868 -0.035 0.000 1.209 117 T HN 0.229 nan 8.240 nan 0.000 0.484 118 Y N 0.949 121.322 120.300 0.123 0.000 2.374 118 Y HA 0.681 5.233 4.550 0.004 0.000 0.322 118 Y C 0.963 176.952 175.900 0.148 0.000 1.275 118 Y CA -0.954 57.234 58.100 0.147 0.000 1.307 118 Y CB 1.530 40.069 38.460 0.132 0.000 1.282 118 Y HN 0.594 nan 8.280 nan 0.000 0.509 119 S N 1.003 116.939 115.700 0.392 0.000 2.387 119 S HA 0.506 4.978 4.470 0.004 0.000 0.211 119 S C -0.033 174.751 174.600 0.305 0.000 1.055 119 S CA 0.073 58.455 58.200 0.303 0.000 1.133 119 S CB -0.596 62.775 63.200 0.285 0.000 1.235 119 S HN 1.386 nan 8.310 nan 0.000 0.425 120 G N 3.956 112.874 108.800 0.197 0.000 2.556 120 G HA2 -0.266 3.697 3.960 0.004 0.000 0.283 120 G HA3 -0.266 3.697 3.960 0.004 0.000 0.283 120 G C 0.618 175.572 174.900 0.091 0.000 1.177 120 G CA 0.286 45.452 45.100 0.111 0.000 0.978 120 G HN 0.980 nan 8.290 nan 0.000 0.554 121 L N 0.436 121.667 121.223 0.013 0.000 2.478 121 L HA 0.294 4.637 4.340 0.004 0.000 0.223 121 L C 1.295 178.287 176.870 0.204 0.000 1.140 121 L CA 0.087 54.959 54.840 0.054 0.000 0.842 121 L CB -0.347 41.714 42.059 0.002 0.000 0.953 121 L HN 0.237 nan 8.230 nan 0.000 0.452 122 F N 0.720 120.858 119.950 0.313 0.000 2.429 122 F HA 0.240 4.769 4.527 0.004 0.000 0.348 122 F C 0.216 176.222 175.800 0.343 0.000 1.109 122 F CA -0.899 57.273 58.000 0.288 0.000 1.232 122 F CB 1.057 40.142 39.000 0.142 0.000 1.157 122 F HN -0.183 nan 8.300 nan 0.000 0.564 123 L N 4.659 126.209 121.223 0.546 0.000 2.294 123 L HA 0.525 4.868 4.340 0.004 0.000 0.283 123 L C -1.000 176.011 176.870 0.234 0.000 1.015 123 L CA -0.549 54.527 54.840 0.393 0.000 0.831 123 L CB 1.014 43.272 42.059 0.332 0.000 1.217 123 L HN 0.303 nan 8.230 nan 0.000 0.420 124 V N 4.938 124.940 119.914 0.146 0.000 2.465 124 V HA 0.780 4.903 4.120 0.004 0.000 0.279 124 V C 0.412 176.537 176.094 0.051 0.000 1.045 124 V CA -0.101 62.233 62.300 0.057 0.000 0.938 124 V CB 1.153 32.984 31.823 0.014 0.000 0.986 124 V HN 0.960 nan 8.190 nan 0.000 0.467 125 A N 5.235 128.060 122.820 0.009 0.000 2.363 125 A HA 0.726 5.049 4.320 0.004 0.000 0.296 125 A C -0.781 176.705 177.584 -0.163 0.000 1.237 125 A CA -0.466 51.521 52.037 -0.084 0.000 0.773 125 A CB 1.109 20.132 19.000 0.038 0.000 1.153 125 A HN 0.616 nan 8.150 nan 0.000 0.473 126 V N 3.274 123.075 119.914 -0.189 0.000 2.432 126 V HA 0.175 4.297 4.120 0.004 0.000 0.275 126 V C 0.721 176.740 176.094 -0.127 0.000 1.043 126 V CA -0.992 61.224 62.300 -0.139 0.000 0.925 126 V CB 1.108 32.860 31.823 -0.119 0.000 0.985 126 V HN 0.894 nan 8.190 nan 0.000 0.466 127 N N 7.486 126.066 118.700 -0.200 0.000 2.411 127 N HA 0.059 4.801 4.740 0.004 0.000 0.261 127 N C -1.423 173.979 175.510 -0.179 0.000 1.248 127 N CA -1.149 51.689 53.050 -0.354 0.000 0.885 127 N CB 1.585 39.650 38.487 -0.703 0.000 1.062 127 N HN 0.398 nan 8.380 nan 0.000 0.471 128 P HA 0.084 nan 4.420 nan 0.000 0.252 128 P C -0.167 177.159 177.300 0.043 0.000 1.218 128 P CA 0.092 63.148 63.100 -0.074 0.000 0.807 128 P CB 0.047 31.635 31.700 -0.185 0.000 1.072 129 F N 0.623 120.580 119.950 0.011 0.000 3.004 129 F HA -0.287 4.242 4.527 0.004 0.000 0.264 129 F C 0.599 176.392 175.800 -0.012 0.000 0.979 129 F CA 0.954 58.956 58.000 0.004 0.000 0.896 129 F CB -1.665 37.349 39.000 0.024 0.000 0.813 129 F HN 0.201 nan 8.300 nan 0.000 0.804 130 K N -1.507 118.951 120.400 0.096 0.000 2.818 130 K HA 0.532 4.854 4.320 0.004 0.000 0.287 130 K C -1.126 175.478 176.600 0.006 0.000 1.061 130 K CA -1.392 54.924 56.287 0.049 0.000 0.858 130 K CB 1.050 33.568 32.500 0.030 0.000 1.456 130 K HN -0.121 nan 8.250 nan 0.000 0.364 131 R N 1.539 122.042 120.500 0.006 0.000 2.357 131 R HA 0.481 4.824 4.340 0.004 0.000 0.296 131 R C -0.382 175.899 176.300 -0.032 0.000 1.052 131 R CA -0.443 55.659 56.100 0.003 0.000 0.988 131 R CB 0.173 30.480 30.300 0.012 0.000 1.025 131 R HN 0.625 nan 8.270 nan 0.000 0.469 132 I N 4.753 125.299 120.570 -0.040 0.000 2.466 132 I HA 0.225 4.398 4.170 0.004 0.000 0.289 132 I C -1.646 174.343 176.117 -0.214 0.000 1.026 132 I CA -2.137 59.078 61.300 -0.141 0.000 1.078 132 I CB 2.686 40.599 38.000 -0.146 0.000 1.249 132 I HN 0.275 nan 8.210 nan 0.000 0.429 133 P HA 0.014 nan 4.420 nan 0.000 0.251 133 P C 0.496 177.559 177.300 -0.395 0.000 1.624 133 P CA 0.586 63.441 63.100 -0.407 0.000 0.907 133 P CB -0.558 30.773 31.700 -0.616 0.000 1.867 134 I N -5.149 115.176 120.570 -0.409 0.000 3.936 134 I HA 0.255 4.428 4.170 0.004 0.000 0.330 134 I C -0.192 175.609 176.117 -0.526 0.000 1.509 134 I CA -0.553 60.489 61.300 -0.429 0.000 1.126 134 I CB -0.074 37.656 38.000 -0.449 0.000 1.115 134 I HN -0.206 nan 8.210 nan 0.000 0.424 135 Y N 1.488 121.861 120.300 0.122 0.000 2.706 135 Y HA 0.272 4.824 4.550 0.004 0.000 0.255 135 Y C 1.400 177.473 175.900 0.288 0.000 1.163 135 Y CA -0.822 57.417 58.100 0.233 0.000 1.174 135 Y CB -0.167 38.367 38.460 0.123 0.000 1.200 135 Y HN 0.177 nan 8.280 nan 0.000 0.544 136 T N -3.099 111.626 114.554 0.284 0.000 2.828 136 T HA 0.051 4.404 4.350 0.004 0.000 0.290 136 T C 1.259 176.085 174.700 0.209 0.000 1.019 136 T CA -0.361 61.862 62.100 0.205 0.000 1.031 136 T CB 1.290 70.233 68.868 0.124 0.000 1.001 136 T HN 0.153 nan 8.240 nan 0.000 0.531 137 Q N 0.258 120.138 119.800 0.133 0.000 2.226 137 Q HA -0.104 4.239 4.340 0.004 0.000 0.204 137 Q C 1.914 177.968 176.000 0.089 0.000 0.975 137 Q CA 1.806 57.662 55.803 0.087 0.000 0.866 137 Q CB -0.433 28.333 28.738 0.047 0.000 0.915 137 Q HN 0.868 nan 8.270 nan 0.000 0.440 138 E N -0.992 119.268 120.200 0.100 0.000 2.072 138 E HA -0.130 4.223 4.350 0.004 0.000 0.191 138 E C 1.779 178.461 176.600 0.136 0.000 0.985 138 E CA 1.354 57.810 56.400 0.093 0.000 0.801 138 E CB -0.127 29.625 29.700 0.086 0.000 0.750 138 E HN 0.338 nan 8.360 nan 0.000 0.452 139 M N 0.224 119.944 119.600 0.201 0.000 2.108 139 M HA -0.142 4.340 4.480 0.004 0.000 0.261 139 M C 2.278 178.827 176.300 0.415 0.000 1.066 139 M CA 1.098 56.584 55.300 0.310 0.000 1.107 139 M CB -0.786 32.013 32.600 0.332 0.000 1.356 139 M HN 0.060 nan 8.290 nan 0.000 0.406 140 V N 1.025 121.115 119.914 0.292 0.000 2.252 140 V HA -0.307 3.815 4.120 0.004 0.000 0.249 140 V C 1.969 178.195 176.094 0.220 0.000 1.056 140 V CA 2.167 64.537 62.300 0.116 0.000 1.022 140 V CB -0.974 30.797 31.823 -0.086 0.000 0.641 140 V HN 0.366 nan 8.190 nan 0.000 0.445 141 D N -0.125 120.343 120.400 0.113 0.000 2.190 141 D HA -0.154 4.488 4.640 0.004 0.000 0.200 141 D C 1.966 178.296 176.300 0.050 0.000 0.992 141 D CA 1.282 55.318 54.000 0.060 0.000 0.854 141 D CB -0.278 40.535 40.800 0.022 0.000 0.936 141 D HN 0.442 nan 8.370 nan 0.000 0.462 142 I N -0.269 120.324 120.570 0.039 0.000 2.567 142 I HA -0.224 3.948 4.170 0.004 0.000 0.257 142 I C 1.354 177.276 176.117 -0.326 0.000 1.184 142 I CA 0.715 61.895 61.300 -0.200 0.000 1.451 142 I CB -0.172 37.622 38.000 -0.343 0.000 1.089 142 I HN -0.091 nan 8.210 nan 0.000 0.441 143 F N 0.976 120.938 119.950 0.019 0.000 2.776 143 F HA 0.139 4.669 4.527 0.004 0.000 0.300 143 F C 1.073 176.917 175.800 0.072 0.000 1.116 143 F CA -0.198 57.819 58.000 0.030 0.000 1.375 143 F CB -0.288 38.702 39.000 -0.016 0.000 1.109 143 F HN -0.212 nan 8.300 nan 0.000 0.585 144 K N 0.742 121.261 120.400 0.197 0.000 2.491 144 K HA 0.125 4.448 4.320 0.004 0.000 0.279 144 K C 1.390 178.042 176.600 0.086 0.000 1.026 144 K CA 0.821 57.193 56.287 0.141 0.000 1.070 144 K CB -0.177 32.360 32.500 0.061 0.000 0.887 144 K HN 0.385 nan 8.250 nan 0.000 0.481 145 G N 2.491 111.350 108.800 0.099 0.000 2.200 145 G HA2 -0.310 3.653 3.960 0.004 0.000 0.268 145 G HA3 -0.310 3.653 3.960 0.004 0.000 0.268 145 G C 0.112 175.034 174.900 0.038 0.000 0.986 145 G CA 0.268 45.400 45.100 0.053 0.000 0.677 145 G HN 0.477 nan 8.290 nan 0.000 0.532 146 R N 0.238 120.769 120.500 0.052 0.000 2.490 146 R HA 0.443 4.786 4.340 0.004 0.000 0.280 146 R C 1.000 177.334 176.300 0.056 0.000 1.077 146 R CA -0.384 55.731 56.100 0.026 0.000 1.065 146 R CB 0.424 30.714 30.300 -0.017 0.000 1.003 146 R HN 0.435 nan 8.270 nan 0.000 0.470 147 R N 1.437 121.958 120.500 0.036 0.000 2.500 147 R HA 0.191 4.533 4.340 0.004 0.000 0.275 147 R C 1.527 177.863 176.300 0.059 0.000 1.051 147 R CA -0.597 55.527 56.100 0.040 0.000 1.088 147 R CB 0.929 31.240 30.300 0.018 0.000 1.063 147 R HN 0.517 nan 8.270 nan 0.000 0.511 148 R N 2.051 122.578 120.500 0.045 0.000 2.153 148 R HA -0.262 4.081 4.340 0.004 0.000 0.252 148 R C 0.727 177.053 176.300 0.044 0.000 1.158 148 R CA 2.643 58.761 56.100 0.029 0.000 0.975 148 R CB -0.180 30.053 30.300 -0.111 0.000 0.871 148 R HN 0.731 nan 8.270 nan 0.000 0.450 149 N N -0.669 118.044 118.700 0.022 0.000 2.353 149 N HA -0.052 4.691 4.740 0.004 0.000 0.185 149 N C 0.861 176.407 175.510 0.061 0.000 1.098 149 N CA 0.586 53.661 53.050 0.041 0.000 0.872 149 N CB 0.135 38.628 38.487 0.011 0.000 0.970 149 N HN 0.399 nan 8.380 nan 0.000 0.467 150 E N -0.136 120.095 120.200 0.051 0.000 2.230 150 E HA 0.029 4.382 4.350 0.004 0.000 0.192 150 E C 0.352 176.962 176.600 0.018 0.000 0.987 150 E CA 0.605 57.022 56.400 0.029 0.000 0.841 150 E CB 0.364 30.065 29.700 0.002 0.000 0.783 150 E HN 0.374 nan 8.360 nan 0.000 0.481 151 V N -2.183 117.768 119.914 0.062 0.000 3.158 151 V HA 0.752 4.875 4.120 0.004 0.000 0.315 151 V C 0.041 176.275 176.094 0.234 0.000 1.148 151 V CA -1.290 61.063 62.300 0.088 0.000 1.042 151 V CB 1.350 33.129 31.823 -0.073 0.000 1.101 151 V HN 0.008 nan 8.190 nan 0.000 0.448 152 A N 1.143 124.138 122.820 0.292 0.000 2.386 152 A HA 0.627 4.949 4.320 0.004 0.000 0.246 152 A C -2.332 175.423 177.584 0.284 0.000 1.089 152 A CA -0.993 51.164 52.037 0.201 0.000 0.790 152 A CB -0.922 18.068 19.000 -0.016 0.000 1.042 152 A HN 0.829 nan 8.150 nan 0.000 0.497 153 P HA 0.249 nan 4.420 nan 0.000 0.268 153 P C -0.413 176.846 177.300 -0.068 0.000 1.204 153 P CA 0.755 63.752 63.100 -0.172 0.000 0.768 153 P CB 0.357 31.712 31.700 -0.576 0.000 0.842 154 H N 1.831 120.686 119.070 -0.358 0.000 3.081 154 H HA 0.095 4.654 4.556 0.004 0.000 0.322 154 H C 0.172 174.990 175.328 -0.851 0.000 1.266 154 H CA -0.515 55.069 56.048 -0.774 0.000 1.279 154 H CB 1.238 30.696 29.762 -0.506 0.000 1.954 154 H HN 0.217 nan 8.280 nan 0.000 0.530 155 I N 3.068 122.866 120.570 -1.286 0.000 2.700 155 I HA -0.108 4.064 4.170 0.004 0.000 0.261 155 I C 1.380 177.343 176.117 -0.257 0.000 1.219 155 I CA 1.277 62.215 61.300 -0.604 0.000 1.463 155 I CB -0.595 37.114 38.000 -0.484 0.000 1.092 155 I HN 0.523 nan 8.210 nan 0.000 0.452 156 F N -0.177 119.564 119.950 -0.349 0.000 2.293 156 F HA -0.088 4.442 4.527 0.004 0.000 0.297 156 F C 2.479 177.733 175.800 -0.910 0.000 1.089 156 F CA 0.349 57.779 58.000 -0.950 0.000 1.377 156 F CB -0.370 37.703 39.000 -1.545 0.000 1.051 156 F HN 0.145 nan 8.300 nan 0.000 0.511 157 A N 0.929 123.512 122.820 -0.395 0.000 1.877 157 A HA -0.180 4.143 4.320 0.004 0.000 0.216 157 A C 2.043 179.621 177.584 -0.010 0.000 1.186 157 A CA 1.369 53.419 52.037 0.022 0.000 0.620 157 A CB -0.790 18.385 19.000 0.292 0.000 0.822 157 A HN 0.234 nan 8.150 nan 0.000 0.443 158 I N 0.443 121.003 120.570 -0.017 0.000 2.208 158 I HA -0.188 3.984 4.170 0.004 0.000 0.245 158 I C 2.613 178.646 176.117 -0.140 0.000 1.097 158 I CA 1.788 63.069 61.300 -0.032 0.000 1.363 158 I CB -1.711 36.307 38.000 0.031 0.000 1.051 158 I HN 0.230 nan 8.210 nan 0.000 0.413 159 S N 0.293 115.911 115.700 -0.138 0.000 2.353 159 S HA -0.225 4.247 4.470 0.004 0.000 0.222 159 S C 1.858 176.463 174.600 0.009 0.000 1.035 159 S CA 1.612 59.765 58.200 -0.078 0.000 1.025 159 S CB -0.347 62.805 63.200 -0.080 0.000 0.902 159 S HN 0.505 nan 8.310 nan 0.000 0.440 160 D N 0.903 121.288 120.400 -0.025 0.000 2.097 160 D HA -0.093 4.549 4.640 0.004 0.000 0.195 160 D C 2.018 178.383 176.300 0.107 0.000 0.989 160 D CA 1.041 55.158 54.000 0.195 0.000 0.827 160 D CB -0.039 40.889 40.800 0.215 0.000 0.966 160 D HN 0.180 nan 8.370 nan 0.000 0.456 161 V N 1.674 121.600 119.914 0.020 0.000 2.282 161 V HA -0.294 3.829 4.120 0.004 0.000 0.249 161 V C 2.730 178.785 176.094 -0.065 0.000 1.057 161 V CA 2.044 64.340 62.300 -0.007 0.000 1.032 161 V CB -0.868 30.953 31.823 -0.003 0.000 0.645 161 V HN 0.277 nan 8.190 nan 0.000 0.447 162 A N -1.295 121.395 122.820 -0.216 0.000 1.933 162 A HA -0.262 4.060 4.320 0.004 0.000 0.218 162 A C 2.153 179.705 177.584 -0.053 0.000 1.175 162 A CA 2.003 53.894 52.037 -0.242 0.000 0.628 162 A CB -0.730 17.994 19.000 -0.460 0.000 0.814 162 A HN 0.651 nan 8.150 nan 0.000 0.444 163 Y N 0.505 120.725 120.300 -0.133 0.000 2.293 163 Y HA -0.137 4.416 4.550 0.004 0.000 0.291 163 Y C 2.378 178.161 175.900 -0.196 0.000 1.137 163 Y CA 1.567 59.557 58.100 -0.184 0.000 1.202 163 Y CB -0.071 38.316 38.460 -0.123 0.000 0.990 163 Y HN 0.170 nan 8.280 nan 0.000 0.537 164 R N -0.202 120.191 120.500 -0.179 0.000 2.057 164 R HA -0.079 4.264 4.340 0.004 0.000 0.229 164 R C 2.410 178.553 176.300 -0.261 0.000 1.136 164 R CA 1.338 57.288 56.100 -0.251 0.000 0.952 164 R CB -1.297 28.945 30.300 -0.096 0.000 0.848 164 R HN 0.289 nan 8.270 nan 0.000 0.430 165 S N 1.779 117.385 115.700 -0.157 0.000 2.380 165 S HA -0.224 4.248 4.470 0.004 0.000 0.229 165 S C 1.871 176.337 174.600 -0.222 0.000 1.043 165 S CA 1.724 59.848 58.200 -0.126 0.000 1.038 165 S CB -0.286 62.905 63.200 -0.015 0.000 0.872 165 S HN 0.331 nan 8.310 nan 0.000 0.456 166 M N 1.283 120.702 119.600 -0.303 0.000 2.126 166 M HA -0.139 4.343 4.480 0.004 0.000 0.259 166 M C 1.934 177.864 176.300 -0.617 0.000 1.073 166 M CA 1.761 56.796 55.300 -0.442 0.000 1.103 166 M CB -0.420 31.886 32.600 -0.490 0.000 1.284 166 M HN 0.253 nan 8.290 nan 0.000 0.420 167 L N 0.130 120.945 121.223 -0.679 0.000 2.127 167 L HA -0.267 4.076 4.340 0.004 0.000 0.211 167 L C 1.817 178.448 176.870 -0.397 0.000 1.089 167 L CA 1.377 55.857 54.840 -0.600 0.000 0.757 167 L CB -0.905 40.795 42.059 -0.599 0.000 0.899 167 L HN 0.409 nan 8.230 nan 0.000 0.434 168 D N -0.385 119.822 120.400 -0.321 0.000 2.110 168 D HA -0.126 4.517 4.640 0.004 0.000 0.202 168 D C 1.614 177.812 176.300 -0.169 0.000 0.975 168 D CA 1.060 54.937 54.000 -0.205 0.000 0.839 168 D CB -0.071 40.633 40.800 -0.159 0.000 0.996 168 D HN 0.223 nan 8.370 nan 0.000 0.464 169 D N -0.371 119.921 120.400 -0.179 0.000 2.349 169 D HA 0.063 4.705 4.640 0.004 0.000 0.215 169 D C 0.337 176.561 176.300 -0.127 0.000 1.016 169 D CA 0.095 54.021 54.000 -0.124 0.000 0.870 169 D CB 0.301 41.046 40.800 -0.092 0.000 0.917 169 D HN -0.097 nan 8.370 nan 0.000 0.524 170 R N 0.133 120.487 120.500 -0.244 0.000 3.651 170 R HA -0.199 4.143 4.340 0.004 0.000 0.292 170 R C -0.252 176.015 176.300 -0.056 0.000 1.161 170 R CA 0.492 56.474 56.100 -0.196 0.000 0.787 170 R CB -2.285 28.051 30.300 0.060 0.000 1.249 170 R HN 0.384 nan 8.270 nan 0.000 0.476 171 Q N 0.189 119.893 119.800 -0.160 0.000 2.356 171 Q HA 0.391 4.734 4.340 0.004 0.000 0.270 171 Q C -0.827 175.108 176.000 -0.109 0.000 1.058 171 Q CA -0.928 54.838 55.803 -0.062 0.000 0.802 171 Q CB 1.119 29.830 28.738 -0.045 0.000 1.303 171 Q HN 0.153 nan 8.270 nan 0.000 0.444 172 N N 3.043 121.675 118.700 -0.115 0.000 2.454 172 N HA 0.044 4.786 4.740 0.004 0.000 0.254 172 N C -0.658 174.722 175.510 -0.216 0.000 1.228 172 N CA 0.439 53.297 53.050 -0.318 0.000 0.900 172 N CB 0.743 38.795 38.487 -0.725 0.000 1.089 172 N HN 0.579 nan 8.380 nan 0.000 0.449 173 Q N 0.101 119.803 119.800 -0.163 0.000 2.378 173 Q HA 0.595 4.937 4.340 0.004 0.000 0.276 173 Q C -0.465 175.610 176.000 0.125 0.000 1.083 173 Q CA -0.784 55.041 55.803 0.037 0.000 0.856 173 Q CB 1.980 30.793 28.738 0.123 0.000 1.383 173 Q HN 0.720 nan 8.270 nan 0.000 0.458 174 S N -0.056 115.764 115.700 0.200 0.000 2.533 174 S HA 0.680 5.152 4.470 0.004 0.000 0.271 174 S C -1.346 173.354 174.600 0.167 0.000 1.143 174 S CA -0.765 57.567 58.200 0.221 0.000 0.891 174 S CB 0.862 64.216 63.200 0.255 0.000 1.105 174 S HN 0.335 nan 8.310 nan 0.000 0.468 175 L N 2.370 123.675 121.223 0.137 0.000 2.325 175 L HA 0.603 4.946 4.340 0.004 0.000 0.281 175 L C -1.282 175.625 176.870 0.062 0.000 1.004 175 L CA -0.491 54.400 54.840 0.085 0.000 0.823 175 L CB 1.574 43.688 42.059 0.091 0.000 1.236 175 L HN 0.659 nan 8.230 nan 0.000 0.415 176 L N 5.488 126.709 121.223 -0.004 0.000 2.276 176 L HA 0.498 4.841 4.340 0.004 0.000 0.286 176 L C -0.425 176.507 176.870 0.103 0.000 1.024 176 L CA 0.068 54.941 54.840 0.054 0.000 0.826 176 L CB 1.069 43.154 42.059 0.043 0.000 1.211 176 L HN 0.402 nan 8.230 nan 0.000 0.422 177 I N 3.220 123.842 120.570 0.087 0.000 2.359 177 I HA 0.425 4.597 4.170 0.004 0.000 0.284 177 I C 0.231 176.375 176.117 0.044 0.000 1.018 177 I CA -0.237 61.106 61.300 0.073 0.000 1.173 177 I CB 1.270 39.301 38.000 0.052 0.000 1.326 177 I HN 0.635 nan 8.210 nan 0.000 0.462 178 T N 1.881 116.456 114.554 0.036 0.000 2.930 178 T HA 0.980 5.332 4.350 0.004 0.000 0.290 178 T C -0.147 174.539 174.700 -0.023 0.000 1.052 178 T CA -0.856 61.241 62.100 -0.005 0.000 1.017 178 T CB 2.441 71.295 68.868 -0.023 0.000 1.137 178 T HN 0.861 nan 8.240 nan 0.000 0.511 179 G N 0.221 109.003 108.800 -0.030 0.000 2.321 179 G HA2 0.382 4.345 3.960 0.004 0.000 0.298 179 G HA3 0.382 4.345 3.960 0.004 0.000 0.298 179 G C -1.282 173.612 174.900 -0.011 0.000 1.385 179 G CA -0.970 44.112 45.100 -0.029 0.000 0.856 179 G HN 0.866 nan 8.290 nan 0.000 0.584 180 E N -0.206 119.995 120.200 0.001 0.000 2.435 180 E HA 0.331 4.684 4.350 0.004 0.000 0.256 180 E C 0.511 177.131 176.600 0.032 0.000 1.245 180 E CA 0.087 56.505 56.400 0.031 0.000 0.989 180 E CB 0.585 30.310 29.700 0.041 0.000 0.983 180 E HN 0.355 nan 8.360 nan 0.000 0.480 181 S N -0.380 115.355 115.700 0.059 0.000 2.516 181 S HA 0.282 4.755 4.470 0.004 0.000 0.282 181 S C 0.794 175.423 174.600 0.048 0.000 1.286 181 S CA 0.729 58.958 58.200 0.047 0.000 1.066 181 S CB -0.021 63.213 63.200 0.056 0.000 0.884 181 S HN 0.741 nan 8.310 nan 0.000 0.491 182 G N 3.152 111.974 108.800 0.036 0.000 2.148 182 G HA2 -0.247 3.716 3.960 0.004 0.000 0.254 182 G HA3 -0.247 3.716 3.960 0.004 0.000 0.254 182 G C 0.821 175.726 174.900 0.008 0.000 0.981 182 G CA 0.301 45.436 45.100 0.058 0.000 0.670 182 G HN 1.217 nan 8.290 nan 0.000 0.528 183 A N -0.588 122.216 122.820 -0.026 0.000 2.014 183 A HA 0.525 4.848 4.320 0.004 0.000 0.218 183 A C 2.514 180.014 177.584 -0.139 0.000 1.163 183 A CA 2.249 54.240 52.037 -0.076 0.000 0.652 183 A CB -0.246 18.724 19.000 -0.050 0.000 0.808 183 A HN 2.458 nan 8.150 nan 0.000 0.449 184 G N -1.268 107.465 108.800 -0.112 0.000 2.151 184 G HA2 -0.158 3.805 3.960 0.004 0.000 0.140 184 G HA3 -0.158 3.805 3.960 0.004 0.000 0.140 184 G C 0.751 175.603 174.900 -0.080 0.000 1.020 184 G CA 0.434 45.458 45.100 -0.127 0.000 0.688 184 G HN 0.391 nan 8.290 nan 0.000 0.500 185 K N -0.132 120.236 120.400 -0.054 0.000 2.063 185 K HA -0.079 4.243 4.320 0.004 0.000 0.208 185 K C 2.472 179.052 176.600 -0.032 0.000 1.048 185 K CA 1.912 58.179 56.287 -0.033 0.000 0.928 185 K CB -0.216 32.267 32.500 -0.028 0.000 0.713 185 K HN 0.319 nan 8.250 nan 0.000 0.442 186 T N 1.128 115.659 114.554 -0.039 0.000 2.857 186 T HA -0.065 4.288 4.350 0.004 0.000 0.266 186 T C 1.574 176.251 174.700 -0.038 0.000 1.048 186 T CA 0.923 63.005 62.100 -0.032 0.000 1.139 186 T CB -0.014 68.840 68.868 -0.024 0.000 0.874 186 T HN 0.154 nan 8.240 nan 0.000 0.455 187 E N 1.714 121.876 120.200 -0.064 0.000 2.051 187 E HA -0.064 4.289 4.350 0.004 0.000 0.192 187 E C 2.095 178.624 176.600 -0.117 0.000 0.991 187 E CA 1.158 57.496 56.400 -0.103 0.000 0.799 187 E CB -0.573 29.042 29.700 -0.142 0.000 0.748 187 E HN 0.493 nan 8.360 nan 0.000 0.449 188 N N -0.220 118.429 118.700 -0.086 0.000 2.166 188 N HA -0.098 4.644 4.740 0.004 0.000 0.186 188 N C 1.720 177.218 175.510 -0.019 0.000 1.019 188 N CA 1.730 54.748 53.050 -0.053 0.000 0.856 188 N CB -0.216 38.272 38.487 0.002 0.000 0.993 188 N HN 0.063 nan 8.380 nan 0.000 0.426 189 T N 0.534 115.083 114.554 -0.009 0.000 2.759 189 T HA -0.107 4.246 4.350 0.004 0.000 0.269 189 T C 1.614 176.324 174.700 0.017 0.000 1.042 189 T CA 1.137 63.245 62.100 0.012 0.000 1.140 189 T CB -0.109 68.765 68.868 0.010 0.000 0.864 189 T HN 0.245 nan 8.240 nan 0.000 0.455 190 K N 0.533 120.931 120.400 -0.003 0.000 2.097 190 K HA -0.027 4.295 4.320 0.004 0.000 0.205 190 K C 2.442 179.063 176.600 0.034 0.000 1.050 190 K CA 0.784 57.075 56.287 0.006 0.000 0.938 190 K CB 0.063 32.552 32.500 -0.019 0.000 0.718 190 K HN 0.089 nan 8.250 nan 0.000 0.442 191 K N 0.625 121.034 120.400 0.016 0.000 2.025 191 K HA -0.077 4.245 4.320 0.004 0.000 0.207 191 K C 2.157 178.920 176.600 0.271 0.000 1.049 191 K CA 0.927 57.295 56.287 0.134 0.000 0.933 191 K CB -0.647 31.843 32.500 -0.017 0.000 0.714 191 K HN -0.035 nan 8.250 nan 0.000 0.438 192 V N 2.183 122.199 119.914 0.170 0.000 2.317 192 V HA -0.266 3.856 4.120 0.004 0.000 0.251 192 V C 2.388 178.590 176.094 0.181 0.000 1.065 192 V CA 1.746 64.154 62.300 0.180 0.000 1.049 192 V CB -0.424 31.461 31.823 0.103 0.000 0.651 192 V HN 0.232 nan 8.190 nan 0.000 0.450 193 I N -0.680 119.962 120.570 0.120 0.000 2.353 193 I HA -0.240 3.932 4.170 0.004 0.000 0.248 193 I C 2.639 178.800 176.117 0.074 0.000 1.119 193 I CA 1.511 62.859 61.300 0.081 0.000 1.417 193 I CB -0.413 37.611 38.000 0.041 0.000 1.078 193 I HN 0.425 nan 8.210 nan 0.000 0.421 194 Q N 0.748 120.613 119.800 0.108 0.000 2.045 194 Q HA -0.306 4.037 4.340 0.004 0.000 0.206 194 Q C 2.379 178.400 176.000 0.034 0.000 0.991 194 Q CA 2.228 58.086 55.803 0.091 0.000 0.851 194 Q CB -0.371 28.470 28.738 0.171 0.000 0.911 194 Q HN 0.508 nan 8.270 nan 0.000 0.418 195 Y N 0.401 120.672 120.300 -0.048 0.000 2.145 195 Y HA -0.247 4.306 4.550 0.004 0.000 0.286 195 Y C 1.965 177.755 175.900 -0.184 0.000 1.145 195 Y CA 1.361 59.319 58.100 -0.236 0.000 1.148 195 Y CB -0.279 38.003 38.460 -0.298 0.000 0.981 195 Y HN 0.197 nan 8.280 nan 0.000 0.507 196 L N 0.047 121.241 121.223 -0.047 0.000 2.131 196 L HA -0.166 4.176 4.340 0.004 0.000 0.210 196 L C 2.548 179.320 176.870 -0.165 0.000 1.092 196 L CA 1.862 56.632 54.840 -0.117 0.000 0.759 196 L CB -1.595 40.517 42.059 0.089 0.000 0.903 196 L HN 0.366 nan 8.230 nan 0.000 0.435 197 A N -2.177 120.573 122.820 -0.117 0.000 1.968 197 A HA -0.165 4.158 4.320 0.004 0.000 0.217 197 A C 2.581 180.074 177.584 -0.152 0.000 1.169 197 A CA 1.624 53.605 52.037 -0.093 0.000 0.638 197 A CB -0.610 18.357 19.000 -0.055 0.000 0.812 197 A HN 0.416 nan 8.150 nan 0.000 0.446 198 S N -0.157 115.387 115.700 -0.261 0.000 2.345 198 S HA -0.126 4.347 4.470 0.004 0.000 0.220 198 S C 1.940 176.346 174.600 -0.323 0.000 1.031 198 S CA 1.939 59.965 58.200 -0.289 0.000 0.996 198 S CB -0.619 62.349 63.200 -0.386 0.000 0.882 198 S HN 0.990 nan 8.310 nan 0.000 0.445 199 V N -1.125 118.480 119.914 -0.515 0.000 3.306 199 V HA 0.592 4.715 4.120 0.004 0.000 0.264 199 V C 1.433 177.303 176.094 -0.374 0.000 1.149 199 V CA 1.120 63.144 62.300 -0.460 0.000 1.143 199 V CB -0.198 31.244 31.823 -0.634 0.000 0.767 199 V HN 0.525 nan 8.190 nan 0.000 0.476 200 A N -0.044 122.600 122.820 -0.294 0.000 2.600 200 A HA 0.662 4.985 4.320 0.004 0.000 0.252 200 A C 1.272 178.964 177.584 0.180 0.000 1.200 200 A CA 0.432 52.434 52.037 -0.059 0.000 0.981 200 A CB -0.194 18.751 19.000 -0.092 0.000 1.207 200 A HN 0.750 nan 8.150 nan 0.000 0.577 201 G N 0.142 108.993 108.800 0.084 0.000 2.403 201 G HA2 0.400 4.363 3.960 0.004 0.000 0.259 201 G HA3 0.400 4.363 3.960 0.004 0.000 0.259 201 G C -0.041 174.955 174.900 0.161 0.000 1.244 201 G CA -0.563 44.599 45.100 0.104 0.000 0.849 201 G HN 0.375 nan 8.290 nan 0.000 0.532 202 R N 2.610 123.159 120.500 0.081 0.000 2.637 202 R HA -0.101 4.241 4.340 0.004 0.000 0.331 202 R C 1.661 177.937 176.300 -0.041 0.000 1.166 202 R CA 0.122 56.149 56.100 -0.120 0.000 0.993 202 R CB -0.368 29.725 30.300 -0.345 0.000 1.012 202 R HN 0.889 nan 8.270 nan 0.000 0.461 203 N N 2.520 121.253 118.700 0.056 0.000 1.135 203 N HA -0.372 4.370 4.740 0.004 0.000 0.134 203 N C 0.043 175.546 175.510 -0.012 0.000 0.229 203 N CA 2.201 55.268 53.050 0.028 0.000 1.053 203 N CB 0.018 38.527 38.487 0.038 0.000 1.319 203 N HN 0.691 nan 8.380 nan 0.000 0.931 204 Q N -0.331 119.452 119.800 -0.029 0.000 4.263 204 Q HA 0.433 4.776 4.340 0.004 0.000 0.137 204 Q C -0.987 174.989 176.000 -0.040 0.000 0.848 204 Q CA 0.082 55.864 55.803 -0.035 0.000 0.805 204 Q CB 0.155 28.880 28.738 -0.022 0.000 1.527 204 Q HN 0.592 nan 8.270 nan 0.000 0.464 205 A N 1.291 124.075 122.820 -0.060 0.000 2.896 205 A HA 0.350 4.672 4.320 0.004 0.000 0.232 205 A C 0.817 178.371 177.584 -0.049 0.000 1.809 205 A CA 0.509 52.512 52.037 -0.057 0.000 0.855 205 A CB -0.061 18.889 19.000 -0.082 0.000 1.773 205 A HN 0.725 nan 8.150 nan 0.000 0.644 206 N N -0.708 117.963 118.700 -0.048 0.000 2.016 206 N HA -0.090 4.652 4.740 0.004 0.000 0.194 206 N C 1.226 176.711 175.510 -0.042 0.000 1.078 206 N CA 2.736 55.762 53.050 -0.040 0.000 0.894 206 N CB -0.595 37.868 38.487 -0.040 0.000 1.073 206 N HN 0.618 nan 8.380 nan 0.000 0.480 207 G N -1.908 106.864 108.800 -0.047 0.000 3.502 207 G HA2 0.164 4.127 3.960 0.004 0.000 0.267 207 G HA3 0.164 4.127 3.960 0.004 0.000 0.267 207 G C 0.861 175.726 174.900 -0.057 0.000 1.090 207 G CA -0.044 45.028 45.100 -0.046 0.000 0.795 207 G HN 0.331 nan 8.290 nan 0.000 0.535 208 S N 0.423 116.082 115.700 -0.069 0.000 2.383 208 S HA -0.041 4.431 4.470 0.004 0.000 0.227 208 S C 2.162 176.717 174.600 -0.074 0.000 1.026 208 S CA 0.957 59.104 58.200 -0.089 0.000 0.981 208 S CB -0.044 63.082 63.200 -0.124 0.000 0.818 208 S HN 0.435 nan 8.310 nan 0.000 0.472 209 G N 0.604 109.369 108.800 -0.058 0.000 3.375 209 G HA2 0.288 4.250 3.960 0.004 0.000 0.247 209 G HA3 0.288 4.250 3.960 0.004 0.000 0.247 209 G C 0.641 175.518 174.900 -0.039 0.000 1.343 209 G CA -0.071 45.002 45.100 -0.045 0.000 1.368 209 G HN 0.340 nan 8.290 nan 0.000 0.549 210 V N -0.185 119.702 119.914 -0.045 0.000 3.013 210 V HA 0.059 4.181 4.120 0.004 0.000 0.238 210 V C 2.317 178.385 176.094 -0.045 0.000 1.161 210 V CA 0.461 62.736 62.300 -0.041 0.000 1.170 210 V CB 0.123 31.920 31.823 -0.044 0.000 0.917 210 V HN 0.400 nan 8.190 nan 0.000 0.478 211 L N 1.278 122.470 121.223 -0.051 0.000 1.971 211 L HA -0.204 4.138 4.340 0.004 0.000 0.215 211 L C 2.250 179.090 176.870 -0.050 0.000 1.072 211 L CA 2.378 57.185 54.840 -0.055 0.000 0.758 211 L CB -0.944 41.080 42.059 -0.058 0.000 0.889 211 L HN 0.402 nan 8.230 nan 0.000 0.433 212 E N -0.817 119.357 120.200 -0.043 0.000 2.160 212 E HA -0.274 4.078 4.350 0.004 0.000 0.195 212 E C 2.121 178.703 176.600 -0.030 0.000 0.991 212 E CA 1.236 57.614 56.400 -0.037 0.000 0.810 212 E CB -0.301 29.381 29.700 -0.029 0.000 0.742 212 E HN 0.568 nan 8.360 nan 0.000 0.466 213 Q N 0.879 120.662 119.800 -0.028 0.000 2.167 213 Q HA -0.157 4.185 4.340 0.004 0.000 0.202 213 Q C 1.754 177.742 176.000 -0.019 0.000 0.970 213 Q CA 1.645 57.436 55.803 -0.021 0.000 0.855 213 Q CB 0.070 28.796 28.738 -0.021 0.000 0.911 213 Q HN 0.404 nan 8.270 nan 0.000 0.438 214 Q N -0.601 119.182 119.800 -0.028 0.000 2.062 214 Q HA 0.015 4.357 4.340 0.004 0.000 0.196 214 Q C 2.168 178.150 176.000 -0.030 0.000 0.967 214 Q CA 1.219 57.005 55.803 -0.029 0.000 0.832 214 Q CB -0.018 28.693 28.738 -0.045 0.000 0.899 214 Q HN 0.415 nan 8.270 nan 0.000 0.442 215 I N 1.038 121.583 120.570 -0.041 0.000 2.248 215 I HA -0.313 3.860 4.170 0.004 0.000 0.248 215 I C 2.135 178.237 176.117 -0.025 0.000 1.107 215 I CA 1.225 62.498 61.300 -0.045 0.000 1.373 215 I CB -0.249 37.716 38.000 -0.058 0.000 1.055 215 I HN 0.204 nan 8.210 nan 0.000 0.418 216 L N -0.386 120.827 121.223 -0.016 0.000 2.072 216 L HA -0.155 4.188 4.340 0.004 0.000 0.205 216 L C 2.560 179.435 176.870 0.009 0.000 1.079 216 L CA 0.857 55.697 54.840 -0.001 0.000 0.752 216 L CB -0.583 41.477 42.059 0.000 0.000 0.906 216 L HN 0.248 nan 8.230 nan 0.000 0.436 217 Q N 0.041 119.845 119.800 0.006 0.000 2.364 217 Q HA -0.089 4.254 4.340 0.004 0.000 0.207 217 Q C 2.283 178.298 176.000 0.025 0.000 0.970 217 Q CA 1.244 57.057 55.803 0.017 0.000 0.888 217 Q CB -0.231 28.515 28.738 0.014 0.000 0.951 217 Q HN 0.497 nan 8.270 nan 0.000 0.469 218 A N 0.894 123.723 122.820 0.015 0.000 2.015 218 A HA -0.178 4.144 4.320 0.004 0.000 0.219 218 A C 1.947 179.555 177.584 0.040 0.000 1.163 218 A CA 1.179 53.224 52.037 0.014 0.000 0.646 218 A CB -0.545 18.447 19.000 -0.013 0.000 0.806 218 A HN 0.418 nan 8.150 nan 0.000 0.448 219 N N -0.174 118.559 118.700 0.055 0.000 2.058 219 N HA -0.112 4.631 4.740 0.004 0.000 0.191 219 N C -0.954 174.629 175.510 0.122 0.000 1.037 219 N CA 1.432 54.538 53.050 0.094 0.000 0.848 219 N CB -0.571 37.963 38.487 0.078 0.000 1.021 219 N HN 0.217 nan 8.380 nan 0.000 0.422 220 P HA -0.139 nan 4.420 nan 0.000 0.217 220 P C 1.192 178.585 177.300 0.154 0.000 1.148 220 P CA 1.051 64.216 63.100 0.110 0.000 0.834 220 P CB 0.032 31.775 31.700 0.072 0.000 0.783 221 I N -1.626 119.016 120.570 0.120 0.000 2.141 221 I HA -0.206 3.966 4.170 0.004 0.000 0.236 221 I C 2.325 178.574 176.117 0.220 0.000 1.071 221 I CA 1.312 62.682 61.300 0.118 0.000 1.345 221 I CB -0.753 37.218 38.000 -0.048 0.000 1.066 221 I HN -0.134 nan 8.210 nan 0.000 0.406 222 L N 0.273 121.591 121.223 0.158 0.000 2.042 222 L HA -0.224 4.118 4.340 0.004 0.000 0.210 222 L C 2.480 179.655 176.870 0.507 0.000 1.076 222 L CA 1.494 56.491 54.840 0.261 0.000 0.749 222 L CB -0.662 41.531 42.059 0.224 0.000 0.893 222 L HN 0.293 nan 8.230 nan 0.000 0.432 223 E N -0.002 120.460 120.200 0.438 0.000 2.204 223 E HA -0.203 4.149 4.350 0.004 0.000 0.195 223 E C 2.238 179.129 176.600 0.486 0.000 0.990 223 E CA 0.960 57.636 56.400 0.460 0.000 0.821 223 E CB -0.023 29.869 29.700 0.319 0.000 0.750 223 E HN 0.504 nan 8.360 nan 0.000 0.477 224 A N -0.036 123.040 122.820 0.427 0.000 1.968 224 A HA -0.106 4.217 4.320 0.004 0.000 0.217 224 A C 1.539 179.267 177.584 0.239 0.000 1.169 224 A CA 0.974 53.217 52.037 0.344 0.000 0.638 224 A CB -0.247 18.923 19.000 0.282 0.000 0.812 224 A HN 0.185 nan 8.150 nan 0.000 0.446 225 F N -1.294 118.824 119.950 0.279 0.000 2.717 225 F HA 0.276 4.806 4.527 0.004 0.000 0.295 225 F C 2.132 177.997 175.800 0.108 0.000 1.117 225 F CA 0.513 58.647 58.000 0.223 0.000 1.361 225 F CB 0.258 39.373 39.000 0.192 0.000 1.112 225 F HN 0.258 nan 8.300 nan 0.000 0.594 226 G N -1.104 107.957 108.800 0.434 0.000 3.228 226 G HA2 0.118 4.080 3.960 0.004 0.000 0.245 226 G HA3 0.118 4.080 3.960 0.004 0.000 0.245 226 G C -0.031 175.272 174.900 0.672 0.000 1.051 226 G CA -0.079 45.203 45.100 0.302 0.000 0.809 226 G HN 0.066 nan 8.290 nan 0.000 0.531 227 N N 0.166 119.190 118.700 0.539 0.000 2.404 227 N HA 0.812 5.554 4.740 0.004 0.000 0.297 227 N C -0.416 174.945 175.510 -0.249 0.000 1.163 227 N CA -0.023 53.181 53.050 0.257 0.000 0.864 227 N CB 2.184 40.882 38.487 0.351 0.000 1.247 227 N HN 0.235 nan 8.380 nan 0.000 0.510 228 A N 0.069 122.644 122.820 -0.408 0.000 2.601 228 A HA 0.486 4.809 4.320 0.004 0.000 0.291 228 A C -1.495 175.922 177.584 -0.278 0.000 1.075 228 A CA -0.714 50.963 52.037 -0.600 0.000 0.671 228 A CB 1.231 19.914 19.000 -0.529 0.000 1.277 228 A HN 0.402 nan 8.150 nan 0.000 0.417 229 K N 1.688 121.975 120.400 -0.189 0.000 2.312 229 K HA 0.493 4.815 4.320 0.004 0.000 0.287 229 K C -0.140 176.386 176.600 -0.123 0.000 1.062 229 K CA 0.670 56.906 56.287 -0.087 0.000 0.934 229 K CB 0.314 32.771 32.500 -0.072 0.000 1.027 229 K HN 1.018 nan 8.250 nan 0.000 0.478 230 T N -0.493 114.004 114.554 -0.094 0.000 2.883 230 T HA 0.197 4.549 4.350 0.004 0.000 0.284 230 T C 1.333 175.984 174.700 -0.082 0.000 1.041 230 T CA -0.257 61.780 62.100 -0.105 0.000 1.007 230 T CB 0.997 69.804 68.868 -0.103 0.000 1.220 230 T HN 0.500 nan 8.240 nan 0.000 0.552 231 T N -1.261 113.240 114.554 -0.088 0.000 2.977 231 T HA -0.016 4.337 4.350 0.004 0.000 0.271 231 T C 1.640 176.305 174.700 -0.058 0.000 1.105 231 T CA 0.666 62.720 62.100 -0.076 0.000 1.116 231 T CB -0.291 68.529 68.868 -0.080 0.000 0.878 231 T HN 0.650 nan 8.240 nan 0.000 0.509 232 R N 0.445 120.918 120.500 -0.046 0.000 2.195 232 R HA 0.312 4.654 4.340 0.004 0.000 0.197 232 R C 0.331 176.645 176.300 0.024 0.000 0.990 232 R CA 0.154 56.247 56.100 -0.011 0.000 1.048 232 R CB 0.282 30.579 30.300 -0.004 0.000 0.997 232 R HN 0.252 nan 8.270 nan 0.000 0.502 233 N N -0.099 118.610 118.700 0.014 0.000 2.336 233 N HA 0.120 4.862 4.740 0.004 0.000 0.290 233 N C -0.905 174.622 175.510 0.028 0.000 1.058 233 N CA -0.264 52.814 53.050 0.047 0.000 0.865 233 N CB 1.428 39.946 38.487 0.051 0.000 1.581 233 N HN -0.046 nan 8.380 nan 0.000 0.480 234 N N 1.389 120.116 118.700 0.046 0.000 2.512 234 N HA -0.090 4.652 4.740 0.004 0.000 0.183 234 N C -0.223 175.353 175.510 0.111 0.000 1.073 234 N CA 0.503 53.581 53.050 0.046 0.000 0.911 234 N CB 0.108 38.618 38.487 0.039 0.000 0.964 234 N HN 0.397 nan 8.380 nan 0.000 0.447 235 N N 0.086 118.856 118.700 0.116 0.000 2.646 235 N HA 0.056 4.799 4.740 0.004 0.000 0.303 235 N C -1.457 174.124 175.510 0.118 0.000 1.921 235 N CA -0.163 53.004 53.050 0.194 0.000 0.872 235 N CB 0.500 39.092 38.487 0.175 0.000 1.327 235 N HN -0.165 nan 8.380 nan 0.000 0.492 236 S N -0.022 115.708 115.700 0.050 0.000 2.516 236 S HA 0.205 4.677 4.470 0.004 0.000 0.282 236 S C -0.025 174.593 174.600 0.031 0.000 1.286 236 S CA -0.183 58.028 58.200 0.019 0.000 1.066 236 S CB 0.096 63.286 63.200 -0.018 0.000 0.884 236 S HN 0.346 nan 8.310 nan 0.000 0.491 237 S N 4.716 120.418 115.700 0.002 0.000 2.455 237 S HA 0.155 4.627 4.470 0.004 0.000 0.278 237 S C 0.287 174.890 174.600 0.004 0.000 1.216 237 S CA -0.558 57.613 58.200 -0.049 0.000 1.055 237 S CB 0.570 63.608 63.200 -0.270 0.000 0.939 237 S HN 0.681 nan 8.310 nan 0.000 0.494 238 E N 2.782 123.103 120.200 0.201 0.000 2.304 238 E HA 0.268 4.620 4.350 0.004 0.000 0.212 238 E C -0.483 176.326 176.600 0.347 0.000 1.185 238 E CA -0.136 56.408 56.400 0.240 0.000 1.326 238 E CB -0.574 29.312 29.700 0.310 0.000 1.283 238 E HN 0.657 nan 8.360 nan 0.000 0.440 239 F N -3.472 116.534 119.950 0.093 0.000 2.725 239 F HA 0.601 5.131 4.527 0.004 0.000 0.311 239 F C -0.193 175.703 175.800 0.160 0.000 1.121 239 F CA -1.459 56.602 58.000 0.101 0.000 0.978 239 F CB 0.512 39.541 39.000 0.048 0.000 1.274 239 F HN -0.142 nan 8.300 nan 0.000 0.440 240 G N 1.726 110.688 108.800 0.270 0.000 2.451 240 G HA2 0.640 4.603 3.960 0.004 0.000 0.303 240 G HA3 0.640 4.603 3.960 0.004 0.000 0.303 240 G C -1.631 173.538 174.900 0.447 0.000 1.166 240 G CA -0.901 44.331 45.100 0.220 0.000 0.884 240 G HN 1.041 nan 8.290 nan 0.000 0.514 241 K N -0.745 119.866 120.400 0.352 0.000 2.532 241 K HA 0.643 4.966 4.320 0.004 0.000 0.265 241 K C -2.100 174.767 176.600 0.445 0.000 0.948 241 K CA -1.030 55.521 56.287 0.440 0.000 0.842 241 K CB 2.296 35.013 32.500 0.361 0.000 1.392 241 K HN 0.386 nan 8.250 nan 0.000 0.436 242 F N 3.291 123.398 119.950 0.261 0.000 2.577 242 F HA 0.414 4.943 4.527 0.004 0.000 0.344 242 F C -1.135 174.719 175.800 0.091 0.000 1.145 242 F CA -1.145 56.963 58.000 0.180 0.000 0.996 242 F CB 0.958 40.107 39.000 0.248 0.000 1.248 242 F HN 0.396 nan 8.300 nan 0.000 0.447 243 I N 4.378 124.751 120.570 -0.328 0.000 2.440 243 I HA 0.324 4.497 4.170 0.004 0.000 0.294 243 I C -0.205 175.576 176.117 -0.559 0.000 0.995 243 I CA -0.600 60.516 61.300 -0.307 0.000 1.306 243 I CB 1.343 39.249 38.000 -0.158 0.000 1.407 243 I HN 0.612 nan 8.210 nan 0.000 0.501 244 E N 5.123 125.092 120.200 -0.386 0.000 2.235 244 E HA 0.385 4.738 4.350 0.004 0.000 0.252 244 E C -1.060 175.403 176.600 -0.227 0.000 0.886 244 E CA -0.608 55.571 56.400 -0.368 0.000 0.767 244 E CB 1.838 31.281 29.700 -0.428 0.000 1.205 244 E HN 0.302 nan 8.360 nan 0.000 0.421 245 I N 3.657 124.125 120.570 -0.170 0.000 2.312 245 I HA 0.124 4.297 4.170 0.004 0.000 0.291 245 I C 0.272 176.059 176.117 -0.550 0.000 1.031 245 I CA -0.244 60.853 61.300 -0.337 0.000 1.293 245 I CB 0.891 38.708 38.000 -0.306 0.000 1.403 245 I HN 0.397 nan 8.210 nan 0.000 0.484 246 Q N 6.338 125.848 119.800 -0.483 0.000 2.278 246 Q HA 0.565 4.907 4.340 0.004 0.000 0.257 246 Q C -1.310 174.449 176.000 -0.403 0.000 0.928 246 Q CA -0.279 55.343 55.803 -0.301 0.000 0.932 246 Q CB 1.401 30.076 28.738 -0.104 0.000 1.221 246 Q HN 0.364 nan 8.270 nan 0.000 0.434 247 F N 1.007 121.084 119.950 0.213 0.000 2.561 247 F HA 0.372 4.901 4.527 0.004 0.000 0.321 247 F C 0.436 176.360 175.800 0.205 0.000 1.065 247 F CA -1.424 56.713 58.000 0.228 0.000 0.934 247 F CB 0.848 40.023 39.000 0.292 0.000 1.215 247 F HN 0.511 nan 8.300 nan 0.000 0.471 248 N N 0.088 119.022 118.700 0.391 0.000 2.413 248 N HA 0.151 4.893 4.740 0.004 0.000 0.266 248 N C 0.512 176.177 175.510 0.259 0.000 1.238 248 N CA -0.331 52.865 53.050 0.244 0.000 0.972 248 N CB -0.059 38.559 38.487 0.218 0.000 1.210 248 N HN 0.682 nan 8.380 nan 0.000 0.547 249 N N -0.383 118.403 118.700 0.144 0.000 2.165 249 N HA -0.345 4.397 4.740 0.004 0.000 0.200 249 N C 1.256 176.887 175.510 0.203 0.000 0.991 249 N CA 2.755 55.904 53.050 0.164 0.000 0.904 249 N CB -0.902 37.640 38.487 0.091 0.000 1.068 249 N HN 0.694 nan 8.380 nan 0.000 0.530 250 A N -1.319 121.578 122.820 0.127 0.000 2.235 250 A HA 0.456 4.779 4.320 0.004 0.000 0.208 250 A C 1.843 179.347 177.584 -0.134 0.000 1.172 250 A CA 0.771 52.797 52.037 -0.019 0.000 0.786 250 A CB -0.769 18.200 19.000 -0.053 0.000 0.804 250 A HN 0.993 nan 8.150 nan 0.000 0.479 251 G N -2.192 106.631 108.800 0.038 0.000 2.176 251 G HA2 -0.238 3.725 3.960 0.004 0.000 0.232 251 G HA3 -0.238 3.725 3.960 0.004 0.000 0.232 251 G C 0.057 175.096 174.900 0.231 0.000 0.986 251 G CA -0.075 45.050 45.100 0.041 0.000 0.643 251 G HN 0.358 nan 8.290 nan 0.000 0.522 252 F N 0.974 121.091 119.950 0.279 0.000 2.443 252 F HA 0.491 5.020 4.527 0.004 0.000 0.353 252 F C 1.576 177.566 175.800 0.317 0.000 1.101 252 F CA -0.874 57.272 58.000 0.244 0.000 1.226 252 F CB 0.611 39.695 39.000 0.139 0.000 1.140 252 F HN -0.032 nan 8.300 nan 0.000 0.557 253 I N 2.711 123.573 120.570 0.487 0.000 2.752 253 I HA -0.083 4.090 4.170 0.004 0.000 0.287 253 I C 0.870 177.060 176.117 0.122 0.000 1.188 253 I CA 0.717 62.143 61.300 0.209 0.000 1.427 253 I CB 0.841 38.886 38.000 0.075 0.000 1.365 253 I HN 0.744 nan 8.210 nan 0.000 0.585 254 S N 2.518 118.230 115.700 0.020 0.000 2.744 254 S HA 0.466 4.938 4.470 0.004 0.000 0.265 254 S C 0.185 174.757 174.600 -0.047 0.000 1.065 254 S CA 0.064 58.272 58.200 0.013 0.000 1.191 254 S CB 1.000 64.237 63.200 0.062 0.000 1.150 254 S HN 0.911 nan 8.310 nan 0.000 0.646 255 G N 0.163 108.902 108.800 -0.101 0.000 2.342 255 G HA2 0.693 4.656 3.960 0.004 0.000 0.297 255 G HA3 0.693 4.656 3.960 0.004 0.000 0.297 255 G C -1.950 172.854 174.900 -0.160 0.000 1.313 255 G CA -0.096 44.936 45.100 -0.114 0.000 0.830 255 G HN 1.125 nan 8.290 nan 0.000 0.506 256 A N -0.802 121.932 122.820 -0.143 0.000 2.577 256 A HA 0.961 5.283 4.320 0.004 0.000 0.297 256 A C -0.309 177.191 177.584 -0.141 0.000 1.060 256 A CA 0.408 52.352 52.037 -0.155 0.000 0.697 256 A CB 1.359 20.276 19.000 -0.138 0.000 1.281 256 A HN 2.351 nan 8.150 nan 0.000 0.402 257 S N 0.980 116.589 115.700 -0.152 0.000 2.599 257 S HA 0.930 5.403 4.470 0.004 0.000 0.287 257 S C -0.749 173.780 174.600 -0.119 0.000 1.105 257 S CA -0.609 57.511 58.200 -0.133 0.000 0.899 257 S CB 1.249 64.370 63.200 -0.132 0.000 1.100 257 S HN 0.871 nan 8.310 nan 0.000 0.482 258 I N 0.618 121.134 120.570 -0.091 0.000 2.865 258 I HA 0.519 4.692 4.170 0.004 0.000 0.302 258 I C -0.878 175.222 176.117 -0.029 0.000 1.140 258 I CA -0.672 60.599 61.300 -0.048 0.000 1.021 258 I CB 2.539 40.504 38.000 -0.059 0.000 1.233 258 I HN 0.662 nan 8.210 nan 0.000 0.427 259 Q N 2.565 122.387 119.800 0.037 0.000 2.284 259 Q HA 0.407 4.749 4.340 0.004 0.000 0.269 259 Q C -1.255 174.682 176.000 -0.105 0.000 1.026 259 Q CA -0.687 55.076 55.803 -0.067 0.000 0.831 259 Q CB 2.869 31.583 28.738 -0.040 0.000 1.322 259 Q HN 0.794 nan 8.270 nan 0.000 0.419 260 S N 1.189 116.771 115.700 -0.196 0.000 2.565 260 S HA 0.733 5.205 4.470 0.004 0.000 0.290 260 S C -1.018 173.415 174.600 -0.279 0.000 1.150 260 S CA -0.436 57.770 58.200 0.009 0.000 1.058 260 S CB 0.851 64.156 63.200 0.175 0.000 1.032 260 S HN 0.467 nan 8.310 nan 0.000 0.510 261 Y N 0.859 121.357 120.300 0.329 0.000 2.386 261 Y HA 0.472 5.024 4.550 0.005 0.000 0.334 261 Y C 0.052 176.057 175.900 0.175 0.000 1.002 261 Y CA -1.498 56.747 58.100 0.242 0.000 1.068 261 Y CB 1.406 40.005 38.460 0.232 0.000 1.203 261 Y HN 0.755 nan 8.280 nan 0.000 0.443 262 L N 2.788 124.132 121.223 0.202 0.000 3.795 262 L HA -0.249 4.093 4.340 0.004 0.000 0.489 262 L C -0.413 176.518 176.870 0.102 0.000 1.259 262 L CA 0.058 54.927 54.840 0.049 0.000 0.765 262 L CB -1.055 40.959 42.059 -0.076 0.000 1.519 262 L HN 0.492 nan 8.230 nan 0.000 0.842 263 L N 1.356 122.639 121.223 0.100 0.000 2.530 263 L HA 0.171 4.513 4.340 0.004 0.000 0.273 263 L C 1.103 178.014 176.870 0.068 0.000 1.141 263 L CA 0.377 55.245 54.840 0.048 0.000 0.905 263 L CB 0.660 42.620 42.059 -0.165 0.000 1.202 263 L HN 0.191 nan 8.230 nan 0.000 0.473 264 E N 4.001 124.280 120.200 0.132 0.000 1.909 264 E HA -0.042 4.310 4.350 0.004 0.000 0.253 264 E C 0.712 177.406 176.600 0.156 0.000 1.268 264 E CA 0.600 57.077 56.400 0.128 0.000 0.999 264 E CB 0.060 29.830 29.700 0.118 0.000 1.072 264 E HN 0.649 nan 8.360 nan 0.000 0.428 265 K N 1.247 121.707 120.400 0.100 0.000 2.211 265 K HA -0.137 4.185 4.320 0.004 0.000 0.203 265 K C 1.858 178.483 176.600 0.042 0.000 1.050 265 K CA 1.159 57.495 56.287 0.083 0.000 0.945 265 K CB -0.024 32.522 32.500 0.077 0.000 0.732 265 K HN 0.484 nan 8.250 nan 0.000 0.451 266 S N 1.465 117.191 115.700 0.044 0.000 2.440 266 S HA -0.213 4.260 4.470 0.004 0.000 0.238 266 S C 2.029 176.631 174.600 0.004 0.000 1.010 266 S CA 1.090 59.306 58.200 0.028 0.000 0.972 266 S CB -0.245 62.987 63.200 0.054 0.000 0.774 266 S HN 0.293 nan 8.310 nan 0.000 0.501 267 R N 0.825 121.314 120.500 -0.019 0.000 2.120 267 R HA -0.011 4.331 4.340 0.004 0.000 0.234 267 R C 1.839 178.007 176.300 -0.220 0.000 1.123 267 R CA 1.390 57.410 56.100 -0.134 0.000 0.975 267 R CB -0.533 29.586 30.300 -0.302 0.000 0.866 267 R HN 0.413 nan 8.270 nan 0.000 0.446 268 V N 0.693 120.480 119.914 -0.210 0.000 2.594 268 V HA -0.191 3.931 4.120 0.004 0.000 0.253 268 V C 2.107 177.776 176.094 -0.709 0.000 1.069 268 V CA 1.698 63.748 62.300 -0.417 0.000 1.082 268 V CB 0.084 31.663 31.823 -0.407 0.000 0.680 268 V HN 0.496 nan 8.190 nan 0.000 0.469 269 V N -4.593 114.995 119.914 -0.544 0.000 3.661 269 V HA 0.431 4.553 4.120 0.004 0.000 0.271 269 V C 0.193 176.240 176.094 -0.079 0.000 1.315 269 V CA 0.096 62.013 62.300 -0.638 0.000 1.072 269 V CB 0.251 31.871 31.823 -0.337 0.000 0.830 269 V HN 0.301 nan 8.190 nan 0.000 0.443 270 F N 1.006 120.845 119.950 -0.185 0.000 2.641 270 F HA 0.794 5.324 4.527 0.004 0.000 0.308 270 F C -1.686 174.053 175.800 -0.101 0.000 1.105 270 F CA -0.587 57.361 58.000 -0.086 0.000 0.964 270 F CB 2.095 41.066 39.000 -0.047 0.000 1.294 270 F HN 0.102 nan 8.300 nan 0.000 0.442 271 Q N 2.617 121.613 119.800 -1.341 0.000 2.320 271 Q HA 0.478 4.821 4.340 0.004 0.000 0.272 271 Q C -1.010 174.337 176.000 -1.088 0.000 1.023 271 Q CA -0.966 54.290 55.803 -0.912 0.000 0.855 271 Q CB 2.187 30.654 28.738 -0.451 0.000 1.367 271 Q HN 0.607 nan 8.270 nan 0.000 0.406 272 S N 1.031 116.394 115.700 -0.562 0.000 2.608 272 S HA 0.217 4.690 4.470 0.004 0.000 0.261 272 S C -0.281 174.192 174.600 -0.211 0.000 1.314 272 S CA -0.741 57.300 58.200 -0.265 0.000 0.992 272 S CB 0.195 63.353 63.200 -0.070 0.000 0.935 272 S HN 0.492 nan 8.310 nan 0.000 0.564 273 E N 1.168 121.300 120.200 -0.115 0.000 2.529 273 E HA 0.192 4.544 4.350 0.004 0.000 0.259 273 E C 0.834 177.376 176.600 -0.097 0.000 0.966 273 E CA 0.824 57.169 56.400 -0.091 0.000 0.937 273 E CB -0.269 29.402 29.700 -0.048 0.000 0.923 273 E HN 0.688 nan 8.360 nan 0.000 0.468 274 T N 0.237 114.732 114.554 -0.098 0.000 8.104 274 T HA -0.203 4.150 4.350 0.004 0.000 0.307 274 T C 0.233 174.862 174.700 -0.117 0.000 2.074 274 T CA 1.504 63.547 62.100 -0.096 0.000 3.441 274 T CB -0.987 67.832 68.868 -0.082 0.000 1.575 274 T HN 0.616 nan 8.240 nan 0.000 0.821 275 E N 1.259 121.374 120.200 -0.140 0.000 2.351 275 E HA 0.613 4.966 4.350 0.004 0.000 0.255 275 E C 0.459 176.960 176.600 -0.164 0.000 1.188 275 E CA -0.564 55.742 56.400 -0.158 0.000 0.940 275 E CB 1.056 30.647 29.700 -0.180 0.000 1.094 275 E HN 0.312 nan 8.360 nan 0.000 0.474 276 R N 0.406 120.805 120.500 -0.168 0.000 2.930 276 R HA 0.320 4.662 4.340 0.004 0.000 0.257 276 R C -0.022 176.232 176.300 -0.078 0.000 1.107 276 R CA -0.939 55.095 56.100 -0.109 0.000 0.999 276 R CB 1.065 31.207 30.300 -0.263 0.000 1.209 276 R HN 0.425 nan 8.270 nan 0.000 0.486 277 N N 0.169 118.964 118.700 0.158 0.000 2.364 277 N HA 0.098 4.841 4.740 0.004 0.000 0.264 277 N C -0.715 174.827 175.510 0.053 0.000 1.263 277 N CA -0.063 52.975 53.050 -0.019 0.000 0.959 277 N CB 0.289 38.730 38.487 -0.078 0.000 1.204 277 N HN 0.238 nan 8.380 nan 0.000 0.550 278 Y N 1.528 121.931 120.300 0.171 0.000 2.805 278 Y HA -0.081 4.471 4.550 0.004 0.000 0.337 278 Y C 2.096 178.110 175.900 0.189 0.000 1.252 278 Y CA 0.377 58.532 58.100 0.092 0.000 1.515 278 Y CB 0.194 38.712 38.460 0.097 0.000 1.305 278 Y HN 0.518 nan 8.280 nan 0.000 0.600 279 H N 2.367 121.616 119.070 0.299 0.000 2.325 279 H HA -0.212 4.347 4.556 0.004 0.000 0.293 279 H C 1.981 177.360 175.328 0.084 0.000 1.106 279 H CA 2.508 58.687 56.048 0.218 0.000 1.247 279 H CB -0.379 29.468 29.762 0.143 0.000 1.359 279 H HN 0.668 nan 8.280 nan 0.000 0.488 280 I N 0.096 120.629 120.570 -0.061 0.000 2.248 280 I HA -0.246 3.927 4.170 0.004 0.000 0.248 280 I C 2.292 178.186 176.117 -0.372 0.000 1.107 280 I CA 1.141 62.230 61.300 -0.352 0.000 1.373 280 I CB -1.163 36.310 38.000 -0.879 0.000 1.055 280 I HN -0.033 nan 8.210 nan 0.000 0.418 281 F N 0.189 120.036 119.950 -0.172 0.000 2.095 281 F HA -0.228 4.301 4.527 0.004 0.000 0.298 281 F C 2.406 177.937 175.800 -0.449 0.000 1.104 281 F CA 1.651 59.428 58.000 -0.373 0.000 1.232 281 F CB -1.219 37.471 39.000 -0.516 0.000 0.987 281 F HN 0.027 nan 8.300 nan 0.000 0.475 282 Y N -0.416 119.914 120.300 0.049 0.000 2.263 282 Y HA -0.140 4.413 4.550 0.004 0.000 0.292 282 Y C 2.447 178.273 175.900 -0.123 0.000 1.130 282 Y CA 0.980 59.069 58.100 -0.018 0.000 1.179 282 Y CB -0.989 37.493 38.460 0.037 0.000 0.998 282 Y HN 0.104 nan 8.280 nan 0.000 0.532 283 Q N -0.434 119.351 119.800 -0.025 0.000 2.119 283 Q HA -0.175 4.167 4.340 0.004 0.000 0.201 283 Q C 2.150 177.736 176.000 -0.691 0.000 0.972 283 Q CA 1.419 57.123 55.803 -0.165 0.000 0.847 283 Q CB -0.340 28.408 28.738 0.017 0.000 0.903 283 Q HN 0.411 nan 8.270 nan 0.000 0.433 284 L N 0.760 121.500 121.223 -0.805 0.000 1.961 284 L HA -0.187 4.156 4.340 0.004 0.000 0.210 284 L C 1.987 178.434 176.870 -0.705 0.000 1.072 284 L CA 1.703 55.865 54.840 -1.131 0.000 0.749 284 L CB -0.660 40.996 42.059 -0.672 0.000 0.889 284 L HN 0.200 nan 8.230 nan 0.000 0.432 285 L N -0.447 120.538 121.223 -0.396 0.000 2.137 285 L HA -0.239 4.103 4.340 0.004 0.000 0.213 285 L C 2.474 179.241 176.870 -0.171 0.000 1.085 285 L CA 1.305 56.013 54.840 -0.220 0.000 0.760 285 L CB -1.083 40.901 42.059 -0.124 0.000 0.893 285 L HN 0.464 nan 8.230 nan 0.000 0.434 286 A N -0.429 122.275 122.820 -0.194 0.000 2.044 286 A HA 0.184 4.507 4.320 0.004 0.000 0.213 286 A C 2.192 179.709 177.584 -0.112 0.000 1.169 286 A CA 0.955 52.929 52.037 -0.106 0.000 0.724 286 A CB -0.350 18.625 19.000 -0.043 0.000 0.840 286 A HN 0.392 nan 8.150 nan 0.000 0.463 287 G N -0.881 107.766 108.800 -0.254 0.000 3.159 287 G HA2 0.436 4.399 3.960 0.004 0.000 0.232 287 G HA3 0.436 4.399 3.960 0.004 0.000 0.232 287 G C 0.610 175.537 174.900 0.046 0.000 1.116 287 G CA 0.608 45.705 45.100 -0.004 0.000 0.767 287 G HN 0.675 nan 8.290 nan 0.000 0.547 288 A N 1.343 124.043 122.820 -0.199 0.000 2.477 288 A HA 0.512 4.834 4.320 0.004 0.000 0.246 288 A C 1.053 178.650 177.584 0.023 0.000 1.078 288 A CA 0.430 52.430 52.037 -0.061 0.000 0.770 288 A CB -0.085 18.828 19.000 -0.144 0.000 1.011 288 A HN 0.548 nan 8.150 nan 0.000 0.494 289 T N -0.030 114.563 114.554 0.065 0.000 2.899 289 T HA 0.449 4.802 4.350 0.004 0.000 0.295 289 T C 1.398 176.115 174.700 0.028 0.000 1.033 289 T CA -0.046 62.084 62.100 0.049 0.000 1.084 289 T CB 1.151 70.054 68.868 0.058 0.000 0.979 289 T HN 1.398 nan 8.240 nan 0.000 0.532 290 A N 1.849 124.681 122.820 0.020 0.000 2.009 290 A HA -0.213 4.110 4.320 0.004 0.000 0.222 290 A C 2.106 179.694 177.584 0.008 0.000 1.175 290 A CA 2.267 54.310 52.037 0.010 0.000 0.651 290 A CB -0.998 18.007 19.000 0.008 0.000 0.815 290 A HN 0.955 nan 8.150 nan 0.000 0.459 291 E N -0.320 119.890 120.200 0.017 0.000 2.046 291 E HA -0.100 4.253 4.350 0.004 0.000 0.190 291 E C 1.948 178.560 176.600 0.020 0.000 0.982 291 E CA 1.334 57.743 56.400 0.015 0.000 0.800 291 E CB -0.306 29.409 29.700 0.025 0.000 0.756 291 E HN 0.758 nan 8.360 nan 0.000 0.449 292 E N 0.854 121.078 120.200 0.040 0.000 2.118 292 E HA -0.185 4.167 4.350 0.004 0.000 0.195 292 E C 1.813 178.432 176.600 0.031 0.000 0.992 292 E CA 1.037 57.471 56.400 0.056 0.000 0.804 292 E CB -0.000 29.747 29.700 0.079 0.000 0.741 292 E HN 0.151 nan 8.360 nan 0.000 0.458 293 K N 0.767 121.174 120.400 0.012 0.000 2.057 293 K HA -0.149 4.174 4.320 0.004 0.000 0.207 293 K C 1.289 177.883 176.600 -0.010 0.000 1.049 293 K CA 1.217 57.508 56.287 0.006 0.000 0.931 293 K CB -0.102 32.399 32.500 0.001 0.000 0.714 293 K HN 0.074 nan 8.250 nan 0.000 0.440 294 K N -0.335 120.041 120.400 -0.041 0.000 3.127 294 K HA 0.375 4.697 4.320 0.004 0.000 0.236 294 K C 0.316 176.832 176.600 -0.140 0.000 1.271 294 K CA -0.030 56.188 56.287 -0.115 0.000 1.224 294 K CB 1.131 33.578 32.500 -0.088 0.000 1.482 294 K HN -0.022 nan 8.250 nan 0.000 0.435 295 A N 0.646 123.405 122.820 -0.102 0.000 2.189 295 A HA 0.226 4.549 4.320 0.004 0.000 0.177 295 A C 1.129 178.751 177.584 0.062 0.000 1.745 295 A CA -0.304 51.712 52.037 -0.035 0.000 1.284 295 A CB 0.273 19.289 19.000 0.027 0.000 1.508 295 A HN 0.334 nan 8.150 nan 0.000 0.440 296 L N -0.688 120.599 121.223 0.107 0.000 2.766 296 L HA 0.265 4.608 4.340 0.004 0.000 0.242 296 L C 0.106 177.259 176.870 0.472 0.000 1.136 296 L CA -0.181 54.821 54.840 0.269 0.000 0.933 296 L CB -0.168 41.997 42.059 0.176 0.000 1.241 296 L HN 0.549 nan 8.230 nan 0.000 0.522 297 H N -0.691 118.469 119.070 0.150 0.000 2.770 297 H HA -0.133 4.425 4.556 0.004 0.000 0.309 297 H C 0.000 175.516 175.328 0.313 0.000 1.206 297 H CA 0.242 56.389 56.048 0.164 0.000 1.147 297 H CB -2.158 27.627 29.762 0.039 0.000 1.422 297 H HN 0.212 nan 8.280 nan 0.000 0.420 298 L N -0.582 120.812 121.223 0.285 0.000 2.466 298 L HA 0.626 4.968 4.340 0.004 0.000 0.257 298 L C 1.116 178.132 176.870 0.243 0.000 1.189 298 L CA 0.275 55.281 54.840 0.277 0.000 0.813 298 L CB 0.992 43.111 42.059 0.100 0.000 1.118 298 L HN 0.461 nan 8.230 nan 0.000 0.471 299 A N 0.371 123.383 122.820 0.320 0.000 2.593 299 A HA 0.745 5.067 4.320 0.004 0.000 0.304 299 A C -0.322 177.380 177.584 0.195 0.000 1.233 299 A CA -0.037 52.101 52.037 0.169 0.000 0.661 299 A CB 0.259 19.271 19.000 0.019 0.000 1.338 299 A HN 0.689 nan 8.150 nan 0.000 0.495 300 G N -0.519 108.342 108.800 0.101 0.000 2.569 300 G HA2 0.453 4.415 3.960 0.004 0.000 0.249 300 G HA3 0.453 4.415 3.960 0.004 0.000 0.249 300 G C -1.729 173.277 174.900 0.176 0.000 1.216 300 G CA -0.668 44.493 45.100 0.102 0.000 0.845 300 G HN 0.332 nan 8.290 nan 0.000 0.568 301 P HA -0.185 nan 4.420 nan 0.000 0.217 301 P C 1.647 179.056 177.300 0.182 0.000 1.162 301 P CA 1.594 64.802 63.100 0.180 0.000 0.901 301 P CB 0.188 32.004 31.700 0.194 0.000 0.793 302 E N -0.165 120.099 120.200 0.106 0.000 2.515 302 E HA -0.077 4.276 4.350 0.004 0.000 0.201 302 E C 1.365 177.960 176.600 -0.008 0.000 1.071 302 E CA 1.067 57.499 56.400 0.053 0.000 0.880 302 E CB -0.987 28.728 29.700 0.026 0.000 0.828 302 E HN 0.362 nan 8.360 nan 0.000 0.540 303 S N -0.284 115.387 115.700 -0.049 0.000 2.593 303 S HA 0.110 4.582 4.470 0.004 0.000 0.217 303 S C 0.097 174.382 174.600 -0.525 0.000 0.966 303 S CA -0.621 57.412 58.200 -0.278 0.000 0.914 303 S CB -0.418 62.560 63.200 -0.370 0.000 0.776 303 S HN 0.088 nan 8.310 nan 0.000 0.523 304 F N 1.983 121.883 119.950 -0.083 0.000 2.493 304 F HA 0.538 5.067 4.527 0.004 0.000 0.329 304 F C 1.082 176.800 175.800 -0.135 0.000 1.126 304 F CA -1.301 56.620 58.000 -0.131 0.000 0.937 304 F CB 1.351 40.255 39.000 -0.161 0.000 1.146 304 F HN -0.153 nan 8.300 nan 0.000 0.442 305 N N 1.896 120.576 118.700 -0.034 0.000 2.061 305 N HA -0.256 4.487 4.740 0.004 0.000 0.193 305 N C 1.656 177.190 175.510 0.041 0.000 1.030 305 N CA 1.726 54.741 53.050 -0.058 0.000 0.856 305 N CB -0.385 38.005 38.487 -0.161 0.000 1.023 305 N HN 0.703 nan 8.380 nan 0.000 0.424 306 Y N 0.497 120.771 120.300 -0.044 0.000 2.569 306 Y HA -0.003 4.550 4.550 0.004 0.000 0.293 306 Y C 1.784 177.563 175.900 -0.202 0.000 1.144 306 Y CA 0.112 58.117 58.100 -0.158 0.000 1.321 306 Y CB 0.122 38.410 38.460 -0.288 0.000 0.982 306 Y HN 0.014 nan 8.280 nan 0.000 0.558 307 L N -0.307 120.930 121.223 0.024 0.000 2.781 307 L HA 0.070 4.413 4.340 0.004 0.000 0.245 307 L C 0.672 177.586 176.870 0.073 0.000 1.118 307 L CA 0.015 54.854 54.840 -0.002 0.000 0.918 307 L CB 0.185 42.193 42.059 -0.084 0.000 1.246 307 L HN 0.199 nan 8.230 nan 0.000 0.526 308 N N 0.134 118.864 118.700 0.050 0.000 2.598 308 N HA 0.016 4.759 4.740 0.004 0.000 0.309 308 N C 0.487 176.002 175.510 0.007 0.000 1.645 308 N CA -0.292 52.779 53.050 0.035 0.000 0.936 308 N CB 0.515 39.020 38.487 0.031 0.000 1.323 308 N HN 0.481 nan 8.380 nan 0.000 0.497 309 Q N -1.340 118.451 119.800 -0.015 0.000 2.245 309 Q HA 0.138 4.480 4.340 0.004 0.000 0.236 309 Q C 0.767 176.718 176.000 -0.081 0.000 0.842 309 Q CA 0.182 55.964 55.803 -0.035 0.000 0.945 309 Q CB 0.154 28.874 28.738 -0.030 0.000 1.122 309 Q HN 0.270 nan 8.270 nan 0.000 0.506 310 S N -0.378 115.264 115.700 -0.096 0.000 2.492 310 S HA 0.370 4.843 4.470 0.004 0.000 0.218 310 S C 1.589 176.146 174.600 -0.073 0.000 1.016 310 S CA 0.663 58.793 58.200 -0.118 0.000 0.916 310 S CB 0.439 63.547 63.200 -0.153 0.000 0.791 310 S HN 0.682 nan 8.310 nan 0.000 0.513 311 G N 0.265 109.038 108.800 -0.045 0.000 2.195 311 G HA2 -0.253 3.709 3.960 0.004 0.000 0.246 311 G HA3 -0.253 3.709 3.960 0.004 0.000 0.246 311 G C 0.180 175.056 174.900 -0.041 0.000 0.984 311 G CA -0.017 45.062 45.100 -0.035 0.000 0.633 311 G HN 1.065 nan 8.290 nan 0.000 0.525 312 C N 0.914 120.180 119.300 -0.056 0.000 2.379 312 C HA 0.778 5.240 4.460 0.004 0.000 0.323 312 C C 1.495 176.425 174.990 -0.100 0.000 1.262 312 C CA 0.313 59.282 59.018 -0.082 0.000 1.581 312 C CB 1.200 28.874 27.740 -0.109 0.000 2.221 312 C HN 1.316 nan 8.230 nan 0.000 0.497 313 V N 1.002 120.844 119.914 -0.121 0.000 3.392 313 V HA 0.474 4.597 4.120 0.004 0.000 0.294 313 V C -0.235 175.701 176.094 -0.264 0.000 1.561 313 V CA 0.295 62.493 62.300 -0.171 0.000 1.056 313 V CB -0.084 31.769 31.823 0.050 0.000 0.882 313 V HN 0.747 nan 8.190 nan 0.000 0.440 314 D N 0.419 120.700 120.400 -0.198 0.000 2.523 314 D HA 0.717 5.359 4.640 0.004 0.000 0.236 314 D C -0.966 175.255 176.300 -0.133 0.000 1.094 314 D CA -0.255 53.655 54.000 -0.150 0.000 0.942 314 D CB 2.920 43.672 40.800 -0.080 0.000 1.447 314 D HN 0.181 nan 8.370 nan 0.000 0.479 315 I N 0.673 121.184 120.570 -0.098 0.000 2.545 315 I HA 0.244 4.417 4.170 0.004 0.000 0.292 315 I C 0.205 176.293 176.117 -0.048 0.000 1.040 315 I CA -0.873 60.386 61.300 -0.069 0.000 1.068 315 I CB 2.010 39.977 38.000 -0.054 0.000 1.251 315 I HN -0.062 nan 8.210 nan 0.000 0.424 316 K N 3.270 123.646 120.400 -0.040 0.000 2.511 316 K HA 0.120 4.443 4.320 0.004 0.000 0.280 316 K C 1.153 177.740 176.600 -0.022 0.000 1.008 316 K CA 1.273 57.542 56.287 -0.030 0.000 1.050 316 K CB 0.221 32.704 32.500 -0.028 0.000 0.889 316 K HN 0.978 nan 8.250 nan 0.000 0.484 317 G N 1.255 110.044 108.800 -0.019 0.000 2.196 317 G HA2 -0.272 3.690 3.960 0.004 0.000 0.268 317 G HA3 -0.272 3.690 3.960 0.004 0.000 0.268 317 G C 0.057 174.946 174.900 -0.017 0.000 0.975 317 G CA 0.421 45.513 45.100 -0.014 0.000 0.648 317 G HN 0.425 nan 8.290 nan 0.000 0.538 318 V N 0.417 120.316 119.914 -0.026 0.000 2.581 318 V HA 0.745 4.868 4.120 0.004 0.000 0.303 318 V C 0.363 176.440 176.094 -0.028 0.000 1.041 318 V CA 0.030 62.310 62.300 -0.033 0.000 0.907 318 V CB 1.953 33.742 31.823 -0.057 0.000 0.994 318 V HN 0.693 nan 8.190 nan 0.000 0.442 319 S N 2.225 117.914 115.700 -0.018 0.000 2.520 319 S HA 0.245 4.717 4.470 0.004 0.000 0.324 319 S C 0.587 175.190 174.600 0.004 0.000 1.069 319 S CA -0.709 57.488 58.200 -0.005 0.000 1.121 319 S CB 0.793 63.995 63.200 0.004 0.000 0.971 319 S HN 0.729 nan 8.310 nan 0.000 0.463 320 D N 3.157 123.562 120.400 0.008 0.000 2.311 320 D HA -0.131 4.512 4.640 0.004 0.000 0.212 320 D C 1.900 178.231 176.300 0.053 0.000 0.972 320 D CA 1.043 55.059 54.000 0.028 0.000 0.887 320 D CB 0.261 41.089 40.800 0.046 0.000 0.915 320 D HN 0.901 nan 8.370 nan 0.000 0.497 321 E N 0.804 121.033 120.200 0.050 0.000 2.122 321 E HA -0.145 4.208 4.350 0.004 0.000 0.190 321 E C 1.558 178.219 176.600 0.101 0.000 0.977 321 E CA 0.639 57.091 56.400 0.086 0.000 0.820 321 E CB -0.420 29.314 29.700 0.056 0.000 0.770 321 E HN 0.062 nan 8.360 nan 0.000 0.462 322 D N 1.575 122.009 120.400 0.057 0.000 2.097 322 D HA -0.176 4.466 4.640 0.004 0.000 0.195 322 D C 1.876 178.204 176.300 0.048 0.000 0.989 322 D CA 1.272 55.297 54.000 0.041 0.000 0.827 322 D CB 0.068 40.881 40.800 0.021 0.000 0.966 322 D HN 0.099 nan 8.370 nan 0.000 0.456 323 E N -0.325 119.907 120.200 0.052 0.000 2.077 323 E HA -0.168 4.184 4.350 0.004 0.000 0.193 323 E C 2.098 178.765 176.600 0.112 0.000 0.989 323 E CA 0.391 56.822 56.400 0.053 0.000 0.800 323 E CB -0.650 29.060 29.700 0.016 0.000 0.746 323 E HN 0.370 nan 8.360 nan 0.000 0.452 324 F N 2.513 122.442 119.950 -0.034 0.000 2.095 324 F HA -0.203 4.327 4.527 0.004 0.000 0.298 324 F C 2.331 178.119 175.800 -0.020 0.000 1.104 324 F CA 1.626 59.595 58.000 -0.051 0.000 1.232 324 F CB -0.211 38.729 39.000 -0.101 0.000 0.987 324 F HN -0.103 nan 8.300 nan 0.000 0.475 325 K N 0.420 120.785 120.400 -0.058 0.000 2.063 325 K HA -0.194 4.128 4.320 0.004 0.000 0.208 325 K C 2.237 178.774 176.600 -0.105 0.000 1.048 325 K CA 2.004 58.208 56.287 -0.140 0.000 0.928 325 K CB -0.418 32.060 32.500 -0.037 0.000 0.713 325 K HN 0.386 nan 8.250 nan 0.000 0.442 326 I N 0.621 121.167 120.570 -0.039 0.000 2.286 326 I HA -0.251 3.921 4.170 0.004 0.000 0.248 326 I C 2.091 178.201 176.117 -0.011 0.000 1.115 326 I CA 1.317 62.609 61.300 -0.014 0.000 1.392 326 I CB -0.250 37.756 38.000 0.010 0.000 1.065 326 I HN 0.228 nan 8.210 nan 0.000 0.418 327 T N 0.038 114.587 114.554 -0.009 0.000 2.737 327 T HA -0.132 4.221 4.350 0.004 0.000 0.265 327 T C 2.062 176.758 174.700 -0.007 0.000 1.038 327 T CA 1.088 63.209 62.100 0.036 0.000 1.144 327 T CB -0.170 68.774 68.868 0.128 0.000 0.866 327 T HN 0.253 nan 8.240 nan 0.000 0.434 328 R N 0.584 121.009 120.500 -0.126 0.000 2.070 328 R HA -0.120 4.223 4.340 0.004 0.000 0.233 328 R C 2.715 178.990 176.300 -0.041 0.000 1.137 328 R CA 1.522 57.565 56.100 -0.095 0.000 0.945 328 R CB -0.333 29.814 30.300 -0.254 0.000 0.845 328 R HN 0.202 nan 8.270 nan 0.000 0.430 329 Q N 0.547 120.315 119.800 -0.054 0.000 2.112 329 Q HA -0.164 4.179 4.340 0.004 0.000 0.206 329 Q C 1.756 177.757 176.000 0.002 0.000 0.987 329 Q CA 2.309 58.099 55.803 -0.021 0.000 0.858 329 Q CB -0.341 28.384 28.738 -0.023 0.000 0.905 329 Q HN 0.389 nan 8.270 nan 0.000 0.420 330 A N -0.365 122.458 122.820 0.006 0.000 1.930 330 A HA -0.117 4.205 4.320 0.004 0.000 0.217 330 A C 2.099 179.708 177.584 0.041 0.000 1.175 330 A CA 1.519 53.569 52.037 0.022 0.000 0.627 330 A CB -0.483 18.533 19.000 0.026 0.000 0.815 330 A HN 0.502 nan 8.150 nan 0.000 0.443 331 M N -0.542 119.076 119.600 0.030 0.000 2.213 331 M HA -0.158 4.325 4.480 0.004 0.000 0.263 331 M C 1.413 177.819 176.300 0.177 0.000 1.062 331 M CA 1.618 56.964 55.300 0.077 0.000 1.105 331 M CB -0.545 32.006 32.600 -0.081 0.000 1.385 331 M HN 0.338 nan 8.290 nan 0.000 0.417 332 D N 0.936 121.388 120.400 0.087 0.000 2.077 332 D HA -0.088 4.555 4.640 0.004 0.000 0.196 332 D C 1.826 178.155 176.300 0.049 0.000 0.986 332 D CA 1.287 55.327 54.000 0.067 0.000 0.829 332 D CB -0.269 40.551 40.800 0.034 0.000 0.983 332 D HN 0.277 nan 8.370 nan 0.000 0.453 333 I N 0.419 121.010 120.570 0.035 0.000 2.236 333 I HA -0.254 3.919 4.170 0.004 0.000 0.249 333 I C 1.984 178.107 176.117 0.009 0.000 1.102 333 I CA 0.801 62.110 61.300 0.015 0.000 1.365 333 I CB -0.186 37.820 38.000 0.011 0.000 1.051 333 I HN -0.033 nan 8.210 nan 0.000 0.420 334 V N -0.086 119.855 119.914 0.045 0.000 2.951 334 V HA 0.097 4.219 4.120 0.004 0.000 0.255 334 V C 1.715 177.762 176.094 -0.079 0.000 1.088 334 V CA 1.477 63.786 62.300 0.015 0.000 1.109 334 V CB 0.022 31.911 31.823 0.110 0.000 0.724 334 V HN 0.730 nan 8.190 nan 0.000 0.471 335 G N -0.882 107.892 108.800 -0.044 0.000 2.367 335 G HA2 -0.172 3.791 3.960 0.004 0.000 0.181 335 G HA3 -0.172 3.791 3.960 0.004 0.000 0.181 335 G C -0.008 174.783 174.900 -0.182 0.000 1.000 335 G CA -0.551 44.456 45.100 -0.155 0.000 0.693 335 G HN 0.295 nan 8.290 nan 0.000 0.480 336 F N 3.963 123.863 119.950 -0.084 0.000 2.546 336 F HA 0.392 4.921 4.527 0.004 0.000 0.388 336 F C 1.710 177.487 175.800 -0.039 0.000 1.051 336 F CA 0.534 58.495 58.000 -0.066 0.000 1.130 336 F CB 0.335 39.288 39.000 -0.078 0.000 1.044 336 F HN 0.281 nan 8.300 nan 0.000 0.553 337 S N 2.702 118.448 115.700 0.076 0.000 2.587 337 S HA -0.018 4.454 4.470 0.004 0.000 0.260 337 S C 1.189 175.833 174.600 0.074 0.000 1.353 337 S CA -0.852 57.380 58.200 0.054 0.000 0.995 337 S CB 0.783 64.001 63.200 0.030 0.000 0.912 337 S HN 0.627 nan 8.310 nan 0.000 0.568 338 Q N 1.077 120.908 119.800 0.053 0.000 2.124 338 Q HA -0.143 4.200 4.340 0.004 0.000 0.202 338 Q C 2.036 178.064 176.000 0.046 0.000 0.977 338 Q CA 1.996 57.830 55.803 0.052 0.000 0.850 338 Q CB -0.734 28.033 28.738 0.049 0.000 0.901 338 Q HN 0.876 nan 8.270 nan 0.000 0.429 339 E N 1.102 121.329 120.200 0.045 0.000 2.023 339 E HA -0.191 4.161 4.350 0.004 0.000 0.196 339 E C 1.981 178.601 176.600 0.035 0.000 1.003 339 E CA 1.398 57.822 56.400 0.040 0.000 0.809 339 E CB -0.241 29.483 29.700 0.039 0.000 0.755 339 E HN 0.437 nan 8.360 nan 0.000 0.449 340 E N 0.741 120.984 120.200 0.070 0.000 2.086 340 E HA -0.288 4.064 4.350 0.004 0.000 0.200 340 E C 2.252 178.857 176.600 0.008 0.000 1.012 340 E CA 1.515 57.984 56.400 0.116 0.000 0.812 340 E CB -0.174 29.705 29.700 0.299 0.000 0.743 340 E HN 0.338 nan 8.360 nan 0.000 0.453 341 Q N -0.361 119.405 119.800 -0.057 0.000 2.096 341 Q HA -0.160 4.183 4.340 0.004 0.000 0.204 341 Q C 2.185 177.826 176.000 -0.598 0.000 0.982 341 Q CA 1.069 56.650 55.803 -0.370 0.000 0.850 341 Q CB -0.091 28.512 28.738 -0.226 0.000 0.901 341 Q HN 0.277 nan 8.270 nan 0.000 0.422 342 M N -0.014 119.481 119.600 -0.175 0.000 2.319 342 M HA -0.065 4.417 4.480 0.004 0.000 0.265 342 M C 2.005 178.304 176.300 -0.002 0.000 1.068 342 M CA 1.126 56.433 55.300 0.013 0.000 1.118 342 M CB -0.407 32.256 32.600 0.105 0.000 1.395 342 M HN 0.080 nan 8.290 nan 0.000 0.435 343 S N 0.705 116.371 115.700 -0.056 0.000 2.368 343 S HA -0.005 4.468 4.470 0.004 0.000 0.224 343 S C 1.901 176.475 174.600 -0.044 0.000 1.029 343 S CA 0.877 59.059 58.200 -0.029 0.000 0.988 343 S CB -0.108 63.055 63.200 -0.062 0.000 0.838 343 S HN 0.426 nan 8.310 nan 0.000 0.462 344 I N 0.629 121.107 120.570 -0.154 0.000 2.202 344 I HA -0.160 4.013 4.170 0.004 0.000 0.242 344 I C 1.746 177.916 176.117 0.088 0.000 1.091 344 I CA 1.195 62.432 61.300 -0.105 0.000 1.368 344 I CB -0.429 37.431 38.000 -0.233 0.000 1.058 344 I HN 0.219 nan 8.210 nan 0.000 0.410 345 F N 1.334 121.369 119.950 0.142 0.000 2.293 345 F HA -0.108 4.421 4.527 0.004 0.000 0.300 345 F C 2.382 178.228 175.800 0.077 0.000 1.086 345 F CA 0.919 58.991 58.000 0.120 0.000 1.375 345 F CB -1.014 38.077 39.000 0.153 0.000 1.045 345 F HN -0.037 nan 8.300 nan 0.000 0.516 346 K N 0.201 120.743 120.400 0.237 0.000 2.155 346 K HA -0.063 4.260 4.320 0.004 0.000 0.203 346 K C 2.075 178.743 176.600 0.112 0.000 1.052 346 K CA 1.082 57.457 56.287 0.148 0.000 0.948 346 K CB -0.262 32.313 32.500 0.125 0.000 0.728 346 K HN 0.256 nan 8.250 nan 0.000 0.448 347 I N 1.018 121.714 120.570 0.210 0.000 2.286 347 I HA -0.248 3.925 4.170 0.004 0.000 0.245 347 I C 2.007 178.317 176.117 0.322 0.000 1.104 347 I CA 0.720 62.243 61.300 0.371 0.000 1.397 347 I CB -0.147 38.050 38.000 0.328 0.000 1.072 347 I HN 0.086 nan 8.210 nan 0.000 0.417 348 I N 1.144 121.862 120.570 0.248 0.000 2.226 348 I HA -0.256 3.916 4.170 0.004 0.000 0.245 348 I C 2.825 179.037 176.117 0.159 0.000 1.100 348 I CA 1.659 63.092 61.300 0.223 0.000 1.374 348 I CB -1.528 36.502 38.000 0.050 0.000 1.057 348 I HN 0.179 nan 8.210 nan 0.000 0.413 349 A N 0.914 123.754 122.820 0.034 0.000 1.898 349 A HA -0.056 4.267 4.320 0.004 0.000 0.216 349 A C 2.521 179.964 177.584 -0.234 0.000 1.181 349 A CA 1.727 53.676 52.037 -0.146 0.000 0.620 349 A CB -1.280 17.700 19.000 -0.033 0.000 0.819 349 A HN 0.413 nan 8.150 nan 0.000 0.442 350 G N 0.192 108.862 108.800 -0.215 0.000 2.421 350 G HA2 -0.210 3.753 3.960 0.004 0.000 0.216 350 G HA3 -0.210 3.753 3.960 0.004 0.000 0.216 350 G C 1.532 176.447 174.900 0.024 0.000 1.171 350 G CA 1.101 45.888 45.100 -0.523 0.000 0.775 350 G HN 0.457 nan 8.290 nan 0.000 0.543 351 I N -0.009 120.754 120.570 0.321 0.000 2.145 351 I HA -0.209 3.964 4.170 0.004 0.000 0.244 351 I C 2.695 178.982 176.117 0.283 0.000 1.075 351 I CA 0.742 62.309 61.300 0.445 0.000 1.332 351 I CB -0.318 37.991 38.000 0.515 0.000 1.033 351 I HN 0.110 nan 8.210 nan 0.000 0.410 352 L N 0.283 121.537 121.223 0.052 0.000 2.012 352 L HA -0.262 4.081 4.340 0.004 0.000 0.210 352 L C 2.682 179.552 176.870 -0.001 0.000 1.073 352 L CA 1.981 56.707 54.840 -0.190 0.000 0.748 352 L CB -1.202 40.382 42.059 -0.791 0.000 0.891 352 L HN 0.277 nan 8.230 nan 0.000 0.431 353 H N -0.837 118.309 119.070 0.126 0.000 2.352 353 H HA -0.104 4.454 4.556 0.004 0.000 0.299 353 H C 2.364 177.721 175.328 0.047 0.000 1.097 353 H CA 1.534 57.660 56.048 0.130 0.000 1.311 353 H CB -0.439 29.345 29.762 0.035 0.000 1.377 353 H HN 0.281 nan 8.280 nan 0.000 0.504 354 L N -0.101 121.256 121.223 0.223 0.000 2.079 354 L HA -0.135 4.208 4.340 0.004 0.000 0.210 354 L C 2.761 179.621 176.870 -0.016 0.000 1.081 354 L CA 1.121 56.074 54.840 0.187 0.000 0.752 354 L CB -0.786 41.481 42.059 0.347 0.000 0.896 354 L HN 0.321 nan 8.230 nan 0.000 0.433 355 G N -0.226 108.425 108.800 -0.248 0.000 2.450 355 G HA2 -0.259 3.704 3.960 0.004 0.000 0.220 355 G HA3 -0.259 3.704 3.960 0.004 0.000 0.220 355 G C 1.353 175.985 174.900 -0.446 0.000 1.130 355 G CA 0.712 45.286 45.100 -0.877 0.000 0.760 355 G HN 0.353 nan 8.290 nan 0.000 0.557 356 N N 0.247 118.816 118.700 -0.219 0.000 2.446 356 N HA 0.068 4.810 4.740 0.004 0.000 0.179 356 N C 0.901 176.294 175.510 -0.196 0.000 1.054 356 N CA -0.084 52.861 53.050 -0.175 0.000 0.905 356 N CB 0.114 38.533 38.487 -0.114 0.000 0.973 356 N HN 0.285 nan 8.380 nan 0.000 0.448 357 I N 1.921 122.361 120.570 -0.217 0.000 2.752 357 I HA -0.123 4.049 4.170 0.004 0.000 0.286 357 I C 0.827 176.626 176.117 -0.530 0.000 1.180 357 I CA 0.401 61.495 61.300 -0.343 0.000 1.404 357 I CB 0.099 37.876 38.000 -0.371 0.000 1.389 357 I HN -0.125 nan 8.210 nan 0.000 0.549 358 K N 8.042 128.196 120.400 -0.410 0.000 2.263 358 K HA 0.414 4.737 4.320 0.004 0.000 0.272 358 K C -0.923 175.497 176.600 -0.300 0.000 1.033 358 K CA -0.430 55.665 56.287 -0.319 0.000 0.884 358 K CB 0.662 33.073 32.500 -0.148 0.000 1.107 358 K HN 0.261 nan 8.250 nan 0.000 0.460 359 F N 2.954 122.917 119.950 0.021 0.000 2.377 359 F HA 0.280 4.809 4.527 0.004 0.000 0.328 359 F C 0.509 176.323 175.800 0.023 0.000 1.094 359 F CA -0.293 57.725 58.000 0.030 0.000 1.093 359 F CB 1.274 40.297 39.000 0.039 0.000 1.214 359 F HN 0.533 nan 8.300 nan 0.000 0.518 360 E N 0.342 120.680 120.200 0.231 0.000 2.392 360 E HA 0.307 4.660 4.350 0.004 0.000 0.279 360 E C -1.584 175.074 176.600 0.097 0.000 0.964 360 E CA -1.510 54.965 56.400 0.125 0.000 0.777 360 E CB 1.540 31.288 29.700 0.079 0.000 1.249 360 E HN 0.293 nan 8.360 nan 0.000 0.449 361 K N 1.275 121.711 120.400 0.059 0.000 2.441 361 K HA 0.045 4.368 4.320 0.004 0.000 0.273 361 K C 0.200 176.826 176.600 0.044 0.000 1.090 361 K CA 0.993 57.300 56.287 0.032 0.000 1.158 361 K CB 0.029 32.540 32.500 0.019 0.000 0.847 361 K HN 0.643 nan 8.250 nan 0.000 0.483 362 G N 2.797 111.624 108.800 0.045 0.000 2.621 362 G HA2 0.346 4.308 3.960 0.004 0.000 0.271 362 G HA3 0.346 4.308 3.960 0.004 0.000 0.271 362 G C 0.880 175.815 174.900 0.057 0.000 1.236 362 G CA -0.204 44.944 45.100 0.079 0.000 0.958 362 G HN 0.799 nan 8.290 nan 0.000 0.512 363 A N -0.668 122.192 122.820 0.068 0.000 2.054 363 A HA 0.078 4.401 4.320 0.004 0.000 0.223 363 A C 1.787 179.395 177.584 0.040 0.000 1.169 363 A CA 2.550 54.616 52.037 0.048 0.000 0.655 363 A CB -0.738 18.291 19.000 0.049 0.000 0.812 363 A HN 1.155 nan 8.150 nan 0.000 0.462 364 G N -2.138 106.690 108.800 0.047 0.000 3.414 364 G HA2 0.384 4.347 3.960 0.004 0.000 0.189 364 G HA3 0.384 4.347 3.960 0.004 0.000 0.189 364 G C 0.652 175.543 174.900 -0.015 0.000 1.329 364 G CA 0.574 45.687 45.100 0.022 0.000 0.851 364 G HN 0.252 nan 8.290 nan 0.000 0.671 365 E N -0.682 119.484 120.200 -0.056 0.000 2.447 365 E HA 0.237 4.589 4.350 0.004 0.000 0.204 365 E C 1.504 177.979 176.600 -0.209 0.000 0.977 365 E CA 0.323 56.665 56.400 -0.096 0.000 0.950 365 E CB 0.146 29.800 29.700 -0.076 0.000 0.975 365 E HN 0.421 nan 8.360 nan 0.000 0.496 366 G N 0.683 109.234 108.800 -0.415 0.000 2.486 366 G HA2 0.457 4.419 3.960 0.004 0.000 0.272 366 G HA3 0.457 4.419 3.960 0.004 0.000 0.272 366 G C -0.444 174.172 174.900 -0.474 0.000 1.426 366 G CA 0.100 44.607 45.100 -0.989 0.000 1.058 366 G HN 0.241 nan 8.290 nan 0.000 0.531 367 A N -1.757 120.914 122.820 -0.248 0.000 2.384 367 A HA 0.810 5.133 4.320 0.004 0.000 0.312 367 A C -0.337 177.431 177.584 0.308 0.000 1.113 367 A CA -0.067 52.029 52.037 0.098 0.000 0.779 367 A CB 1.767 20.774 19.000 0.012 0.000 1.307 367 A HN 1.942 nan 8.150 nan 0.000 0.436 368 V N -1.465 118.579 119.914 0.216 0.000 3.160 368 V HA 0.860 4.983 4.120 0.004 0.000 0.310 368 V C -1.363 174.851 176.094 0.200 0.000 1.181 368 V CA -0.868 61.545 62.300 0.188 0.000 1.047 368 V CB 1.743 33.645 31.823 0.132 0.000 1.068 368 V HN 1.057 nan 8.190 nan 0.000 0.441 369 L N 2.140 123.454 121.223 0.152 0.000 2.353 369 L HA 0.623 4.966 4.340 0.004 0.000 0.270 369 L C 0.928 177.828 176.870 0.050 0.000 1.003 369 L CA -0.011 54.897 54.840 0.114 0.000 0.862 369 L CB 1.276 43.409 42.059 0.123 0.000 1.221 369 L HN 0.739 nan 8.230 nan 0.000 0.430 370 K N 1.179 121.598 120.400 0.031 0.000 1.991 370 K HA 0.017 4.340 4.320 0.004 0.000 0.207 370 K C 0.302 176.897 176.600 -0.008 0.000 1.045 370 K CA 0.873 57.167 56.287 0.012 0.000 0.937 370 K CB -0.036 32.469 32.500 0.009 0.000 0.720 370 K HN 0.609 nan 8.250 nan 0.000 0.438 371 D N 1.355 121.740 120.400 -0.026 0.000 2.277 371 D HA 0.052 4.694 4.640 0.004 0.000 0.249 371 D C -0.054 176.216 176.300 -0.051 0.000 1.134 371 D CA 0.082 54.057 54.000 -0.041 0.000 0.863 371 D CB 0.903 41.670 40.800 -0.055 0.000 1.143 371 D HN -0.034 nan 8.370 nan 0.000 0.458 372 K N 2.318 122.690 120.400 -0.046 0.000 2.399 372 K HA 0.082 4.404 4.320 0.004 0.000 0.204 372 K C 1.437 177.994 176.600 -0.072 0.000 1.023 372 K CA -0.149 56.108 56.287 -0.050 0.000 1.127 372 K CB 0.645 33.125 32.500 -0.034 0.000 0.856 372 K HN 0.353 nan 8.250 nan 0.000 0.514 373 T N 1.756 116.262 114.554 -0.081 0.000 2.595 373 T HA -0.219 4.134 4.350 0.004 0.000 0.264 373 T C 2.067 176.680 174.700 -0.144 0.000 1.058 373 T CA 1.843 63.882 62.100 -0.103 0.000 1.166 373 T CB -0.185 68.629 68.868 -0.090 0.000 0.863 373 T HN 0.358 nan 8.240 nan 0.000 0.415 374 A N 1.635 124.381 122.820 -0.124 0.000 1.842 374 A HA -0.104 4.219 4.320 0.004 0.000 0.217 374 A C 2.315 179.832 177.584 -0.112 0.000 1.206 374 A CA 1.901 53.870 52.037 -0.113 0.000 0.630 374 A CB -1.310 17.644 19.000 -0.076 0.000 0.839 374 A HN 0.497 nan 8.150 nan 0.000 0.447 375 L N -0.319 120.861 121.223 -0.071 0.000 2.030 375 L HA -0.342 4.001 4.340 0.004 0.000 0.222 375 L C 2.284 179.121 176.870 -0.055 0.000 1.082 375 L CA 2.421 57.246 54.840 -0.025 0.000 0.785 375 L CB -0.553 41.499 42.059 -0.012 0.000 0.895 375 L HN 0.487 nan 8.230 nan 0.000 0.439 376 N N -0.063 118.576 118.700 -0.103 0.000 2.120 376 N HA -0.161 4.582 4.740 0.004 0.000 0.188 376 N C 1.789 177.161 175.510 -0.229 0.000 1.024 376 N CA 1.528 54.499 53.050 -0.131 0.000 0.852 376 N CB -0.327 38.085 38.487 -0.124 0.000 1.003 376 N HN 0.522 nan 8.380 nan 0.000 0.424 377 A N 1.369 123.966 122.820 -0.372 0.000 1.865 377 A HA -0.051 4.271 4.320 0.004 0.000 0.217 377 A C 2.443 179.747 177.584 -0.467 0.000 1.191 377 A CA 2.158 53.789 52.037 -0.677 0.000 0.623 377 A CB -0.993 17.395 19.000 -1.020 0.000 0.826 377 A HN 0.325 nan 8.150 nan 0.000 0.444 378 A N -0.453 122.209 122.820 -0.263 0.000 1.873 378 A HA -0.152 4.170 4.320 0.004 0.000 0.218 378 A C 2.464 180.028 177.584 -0.032 0.000 1.193 378 A CA 2.398 54.376 52.037 -0.098 0.000 0.629 378 A CB -1.135 17.959 19.000 0.157 0.000 0.826 378 A HN 0.495 nan 8.150 nan 0.000 0.447 379 S N -0.506 115.213 115.700 0.032 0.000 2.370 379 S HA -0.162 4.311 4.470 0.004 0.000 0.226 379 S C 2.043 176.641 174.600 -0.002 0.000 1.033 379 S CA 1.830 60.056 58.200 0.043 0.000 1.011 379 S CB -0.702 62.487 63.200 -0.018 0.000 0.852 379 S HN 0.725 nan 8.310 nan 0.000 0.457 380 T N 2.336 116.845 114.554 -0.075 0.000 2.652 380 T HA -0.131 4.221 4.350 0.004 0.000 0.267 380 T C 2.141 176.834 174.700 -0.013 0.000 1.039 380 T CA 1.821 63.885 62.100 -0.059 0.000 1.153 380 T CB -0.640 68.157 68.868 -0.117 0.000 0.863 380 T HN 0.467 nan 8.240 nan 0.000 0.428 381 V N -1.139 118.745 119.914 -0.050 0.000 2.488 381 V HA 0.050 4.173 4.120 0.004 0.000 0.246 381 V C 2.118 178.244 176.094 0.054 0.000 1.046 381 V CA 1.270 63.562 62.300 -0.014 0.000 1.053 381 V CB -1.377 30.411 31.823 -0.059 0.000 0.679 381 V HN 0.450 nan 8.190 nan 0.000 0.458 382 F N 2.287 122.288 119.950 0.085 0.000 2.216 382 F HA 0.275 4.804 4.527 0.004 0.000 0.300 382 F C 2.016 177.806 175.800 -0.016 0.000 1.085 382 F CA 0.981 59.030 58.000 0.082 0.000 1.326 382 F CB -0.331 38.735 39.000 0.110 0.000 1.027 382 F HN 0.473 nan 8.300 nan 0.000 0.497 383 G N 1.058 109.934 108.800 0.128 0.000 2.325 383 G HA2 -0.100 3.862 3.960 0.004 0.000 0.248 383 G HA3 -0.100 3.862 3.960 0.004 0.000 0.248 383 G C -0.488 174.370 174.900 -0.070 0.000 1.108 383 G CA 0.002 45.116 45.100 0.025 0.000 0.881 383 G HN 0.575 nan 8.290 nan 0.000 0.494 384 V N -3.470 116.375 119.914 -0.115 0.000 3.130 384 V HA 0.845 4.967 4.120 0.004 0.000 0.310 384 V C -0.041 175.962 176.094 -0.152 0.000 1.158 384 V CA -1.853 60.311 62.300 -0.226 0.000 1.029 384 V CB 1.799 33.306 31.823 -0.526 0.000 1.057 384 V HN 0.175 nan 8.190 nan 0.000 0.436 385 N N 3.498 122.109 118.700 -0.150 0.000 2.405 385 N HA 0.348 5.091 4.740 0.004 0.000 0.260 385 N C -1.774 173.685 175.510 -0.084 0.000 1.152 385 N CA -1.187 51.806 53.050 -0.096 0.000 0.948 385 N CB 1.051 39.489 38.487 -0.081 0.000 1.111 385 N HN 0.641 nan 8.380 nan 0.000 0.485 386 P HA -0.172 nan 4.420 nan 0.000 0.223 386 P C 0.516 177.803 177.300 -0.021 0.000 1.144 386 P CA 1.020 64.101 63.100 -0.032 0.000 0.783 386 P CB 0.277 31.957 31.700 -0.032 0.000 0.771 387 S N 0.083 115.765 115.700 -0.031 0.000 2.345 387 S HA -0.095 4.378 4.470 0.004 0.000 0.220 387 S C 2.142 176.730 174.600 -0.021 0.000 1.031 387 S CA 1.408 59.594 58.200 -0.024 0.000 0.996 387 S CB -1.702 61.480 63.200 -0.029 0.000 0.882 387 S HN 0.021 nan 8.310 nan 0.000 0.445 388 V N 2.024 121.917 119.914 -0.036 0.000 2.591 388 V HA 0.012 4.135 4.120 0.004 0.000 0.249 388 V C 2.364 178.449 176.094 -0.015 0.000 1.053 388 V CA 1.151 63.431 62.300 -0.033 0.000 1.068 388 V CB -0.926 30.863 31.823 -0.056 0.000 0.689 388 V HN 0.363 nan 8.190 nan 0.000 0.462 389 L N 0.804 122.013 121.223 -0.024 0.000 2.042 389 L HA -0.206 4.137 4.340 0.004 0.000 0.210 389 L C 2.392 179.309 176.870 0.078 0.000 1.076 389 L CA 2.321 57.177 54.840 0.027 0.000 0.749 389 L CB -0.713 41.359 42.059 0.022 0.000 0.893 389 L HN 0.450 nan 8.230 nan 0.000 0.432 390 E N -0.712 119.524 120.200 0.061 0.000 2.110 390 E HA -0.247 4.106 4.350 0.004 0.000 0.193 390 E C 2.024 178.666 176.600 0.069 0.000 0.988 390 E CA 1.413 57.863 56.400 0.084 0.000 0.804 390 E CB 0.038 29.770 29.700 0.054 0.000 0.745 390 E HN 0.579 nan 8.360 nan 0.000 0.458 391 K N -0.017 120.403 120.400 0.033 0.000 2.044 391 K HA -0.011 4.311 4.320 0.004 0.000 0.204 391 K C 2.286 178.899 176.600 0.023 0.000 1.049 391 K CA 0.841 57.136 56.287 0.014 0.000 0.945 391 K CB -0.157 32.341 32.500 -0.004 0.000 0.724 391 K HN 0.070 nan 8.250 nan 0.000 0.440 392 A N 2.039 124.879 122.820 0.034 0.000 1.948 392 A HA -0.157 4.166 4.320 0.004 0.000 0.220 392 A C 2.208 179.824 177.584 0.053 0.000 1.177 392 A CA 1.369 53.432 52.037 0.044 0.000 0.636 392 A CB -0.711 18.327 19.000 0.062 0.000 0.815 392 A HN 0.141 nan 8.150 nan 0.000 0.449 393 L N -1.695 119.576 121.223 0.081 0.000 1.973 393 L HA -0.149 4.193 4.340 0.004 0.000 0.208 393 L C 2.939 179.795 176.870 -0.023 0.000 1.073 393 L CA 1.756 56.642 54.840 0.075 0.000 0.746 393 L CB -0.440 41.739 42.059 0.199 0.000 0.891 393 L HN 0.393 nan 8.230 nan 0.000 0.433 394 M N -1.228 118.363 119.600 -0.015 0.000 2.287 394 M HA -0.058 4.425 4.480 0.004 0.000 0.266 394 M C 0.301 176.602 176.300 0.002 0.000 1.079 394 M CA 1.276 56.548 55.300 -0.045 0.000 1.146 394 M CB 0.198 32.803 32.600 0.007 0.000 1.374 394 M HN 0.093 nan 8.290 nan 0.000 0.435 395 E N 1.375 121.572 120.200 -0.006 0.000 3.170 395 E HA 0.226 4.579 4.350 0.004 0.000 0.212 395 E C -2.347 174.250 176.600 -0.004 0.000 1.143 395 E CA -1.740 54.651 56.400 -0.013 0.000 1.139 395 E CB 0.672 30.339 29.700 -0.055 0.000 1.346 395 E HN 0.149 nan 8.360 nan 0.000 0.432 396 P HA 0.084 nan 4.420 nan 0.000 0.275 396 P C -0.487 176.815 177.300 0.003 0.000 1.227 396 P CA -0.294 62.809 63.100 0.005 0.000 0.781 396 P CB 0.950 32.654 31.700 0.006 0.000 0.906 397 R N 2.744 123.245 120.500 0.003 0.000 2.234 397 R HA 0.432 4.774 4.340 0.004 0.000 0.324 397 R C 0.486 176.787 176.300 0.002 0.000 1.054 397 R CA -0.631 55.469 56.100 0.001 0.000 0.912 397 R CB 0.533 30.833 30.300 -0.000 0.000 1.030 397 R HN 0.579 nan 8.270 nan 0.000 0.455 398 I N 2.557 123.128 120.570 0.001 0.000 3.062 398 I HA 0.150 4.323 4.170 0.004 0.000 0.318 398 I C -0.318 175.799 176.117 0.001 0.000 1.026 398 I CA -0.792 60.508 61.300 0.000 0.000 1.096 398 I CB 1.170 39.170 38.000 0.000 0.000 1.348 398 I HN 0.415 nan 8.210 nan 0.000 0.543 399 L N 5.075 126.298 121.223 0.000 0.000 2.935 399 L HA 0.497 4.839 4.340 0.004 0.000 0.243 399 L C -0.082 176.789 176.870 0.002 0.000 1.313 399 L CA -0.334 54.507 54.840 0.001 0.000 0.969 399 L CB -0.350 41.710 42.059 0.002 0.000 1.320 399 L HN 0.543 nan 8.230 nan 0.000 0.511 400 A N 0.585 123.405 122.820 0.001 0.000 2.454 400 A HA 0.570 4.893 4.320 0.004 0.000 0.260 400 A C 1.391 178.975 177.584 0.001 0.000 1.106 400 A CA 0.656 52.693 52.037 0.001 0.000 0.780 400 A CB -0.389 18.611 19.000 0.000 0.000 1.044 400 A HN 1.214 nan 8.150 nan 0.000 0.498 401 G N 2.770 111.571 108.800 0.001 0.000 2.950 401 G HA2 -0.315 3.647 3.960 0.004 0.000 0.299 401 G HA3 -0.315 3.647 3.960 0.004 0.000 0.299 401 G C 0.718 175.620 174.900 0.004 0.000 1.310 401 G CA 0.681 45.782 45.100 0.002 0.000 0.994 401 G HN 1.601 nan 8.290 nan 0.000 0.575 402 R N 0.912 121.414 120.500 0.004 0.000 2.496 402 R HA 0.320 4.663 4.340 0.004 0.000 0.369 402 R C -0.690 175.612 176.300 0.004 0.000 0.896 402 R CA 0.395 56.498 56.100 0.004 0.000 1.147 402 R CB 0.248 30.551 30.300 0.005 0.000 1.697 402 R HN 0.525 nan 8.270 nan 0.000 0.518 403 D N 0.910 121.312 120.400 0.003 0.000 2.506 403 D HA 0.424 5.067 4.640 0.004 0.000 0.254 403 D C -0.180 176.121 176.300 0.002 0.000 1.089 403 D CA -0.674 53.327 54.000 0.002 0.000 1.050 403 D CB 1.948 42.749 40.800 0.001 0.000 1.221 403 D HN -0.124 nan 8.370 nan 0.000 0.589 404 L N 1.521 122.744 121.223 0.001 0.000 2.426 404 L HA 0.214 4.557 4.340 0.004 0.000 0.255 404 L C -0.272 176.598 176.870 -0.000 0.000 1.080 404 L CA -0.775 54.065 54.840 0.000 0.000 0.960 404 L CB 0.936 42.995 42.059 -0.000 0.000 1.326 404 L HN 0.115 nan 8.230 nan 0.000 0.441 405 V N 0.585 120.499 119.914 0.000 0.000 2.353 405 V HA 0.633 4.756 4.120 0.004 0.000 0.264 405 V C 0.931 177.025 176.094 0.001 0.000 1.049 405 V CA -0.758 61.542 62.300 0.001 0.000 0.896 405 V CB 0.600 32.424 31.823 0.002 0.000 1.025 405 V HN 0.599 nan 8.190 nan 0.000 0.475 406 A N 5.129 127.948 122.820 -0.001 0.000 2.482 406 A HA 0.448 4.770 4.320 0.004 0.000 0.249 406 A C 0.415 178.004 177.584 0.007 0.000 1.114 406 A CA 0.300 52.337 52.037 -0.001 0.000 0.797 406 A CB 0.160 19.153 19.000 -0.011 0.000 1.067 406 A HN 0.979 nan 8.150 nan 0.000 0.514 407 Q N -1.762 118.046 119.800 0.015 0.000 3.019 407 Q HA 0.493 4.835 4.340 0.004 0.000 0.337 407 Q C -1.340 174.714 176.000 0.089 0.000 0.900 407 Q CA -0.644 55.184 55.803 0.042 0.000 0.800 407 Q CB 1.909 30.667 28.738 0.032 0.000 1.437 407 Q HN 0.874 nan 8.270 nan 0.000 0.505 408 H N 0.476 119.531 119.070 -0.026 0.000 3.275 408 H HA 0.350 4.909 4.556 0.004 0.000 0.326 408 H C -1.232 174.071 175.328 -0.043 0.000 1.096 408 H CA -0.372 55.656 56.048 -0.032 0.000 1.579 408 H CB 0.499 30.249 29.762 -0.021 0.000 1.834 408 H HN 0.387 nan 8.280 nan 0.000 0.510 409 L N 2.981 124.246 121.223 0.071 0.000 2.436 409 L HA 0.180 4.522 4.340 0.004 0.000 0.265 409 L C 0.713 177.497 176.870 -0.143 0.000 1.168 409 L CA -0.705 54.102 54.840 -0.055 0.000 0.815 409 L CB 0.368 42.383 42.059 -0.075 0.000 1.109 409 L HN 0.644 nan 8.230 nan 0.000 0.462 410 N N 0.492 119.108 118.700 -0.140 0.000 2.525 410 N HA 0.119 4.861 4.740 0.004 0.000 0.271 410 N C 0.772 176.215 175.510 -0.113 0.000 1.194 410 N CA -0.623 52.341 53.050 -0.144 0.000 0.964 410 N CB 1.290 39.717 38.487 -0.100 0.000 1.126 410 N HN 0.398 nan 8.380 nan 0.000 0.452 411 V N 0.467 120.333 119.914 -0.080 0.000 2.311 411 V HA -0.363 3.760 4.120 0.004 0.000 0.259 411 V C 2.315 178.394 176.094 -0.025 0.000 1.086 411 V CA 2.541 64.823 62.300 -0.030 0.000 1.078 411 V CB -1.311 30.540 31.823 0.046 0.000 0.668 411 V HN 0.886 nan 8.190 nan 0.000 0.452 412 E N 0.809 120.999 120.200 -0.016 0.000 2.038 412 E HA -0.232 4.121 4.350 0.004 0.000 0.195 412 E C 2.106 178.696 176.600 -0.017 0.000 1.000 412 E CA 1.825 58.226 56.400 0.002 0.000 0.803 412 E CB -0.332 29.367 29.700 -0.002 0.000 0.750 412 E HN 0.605 nan 8.360 nan 0.000 0.448 413 K N -0.271 120.099 120.400 -0.050 0.000 2.486 413 K HA 0.063 4.386 4.320 0.004 0.000 0.194 413 K C 1.951 178.484 176.600 -0.110 0.000 1.033 413 K CA 0.763 57.017 56.287 -0.056 0.000 1.004 413 K CB 0.214 32.683 32.500 -0.051 0.000 0.798 413 K HN 0.060 nan 8.250 nan 0.000 0.495 414 S N 0.413 115.984 115.700 -0.214 0.000 2.406 414 S HA -0.106 4.367 4.470 0.004 0.000 0.224 414 S C 2.083 176.432 174.600 -0.418 0.000 1.030 414 S CA 1.204 59.106 58.200 -0.496 0.000 0.958 414 S CB 0.012 62.657 63.200 -0.925 0.000 0.811 414 S HN 0.401 nan 8.310 nan 0.000 0.489 415 S N 2.015 117.667 115.700 -0.081 0.000 2.387 415 S HA -0.011 4.461 4.470 0.004 0.000 0.226 415 S C 1.925 176.635 174.600 0.182 0.000 1.026 415 S CA 1.123 59.483 58.200 0.267 0.000 0.972 415 S CB -0.586 62.788 63.200 0.290 0.000 0.814 415 S HN 0.319 nan 8.310 nan 0.000 0.477 416 S N 1.751 117.503 115.700 0.087 0.000 2.348 416 S HA -0.099 4.374 4.470 0.004 0.000 0.221 416 S C 2.161 176.808 174.600 0.077 0.000 1.033 416 S CA 1.377 59.622 58.200 0.076 0.000 1.010 416 S CB -0.887 62.336 63.200 0.039 0.000 0.891 416 S HN 0.684 nan 8.310 nan 0.000 0.442 417 S N 1.342 117.069 115.700 0.045 0.000 2.374 417 S HA -0.174 4.299 4.470 0.004 0.000 0.227 417 S C 2.119 176.782 174.600 0.105 0.000 1.037 417 S CA 1.161 59.390 58.200 0.049 0.000 1.024 417 S CB -0.343 62.863 63.200 0.010 0.000 0.861 417 S HN 0.367 nan 8.310 nan 0.000 0.456 418 R N 0.769 121.371 120.500 0.171 0.000 2.096 418 R HA -0.081 4.262 4.340 0.004 0.000 0.235 418 R C 1.271 177.713 176.300 0.237 0.000 1.127 418 R CA 1.890 58.146 56.100 0.259 0.000 0.968 418 R CB -0.970 29.589 30.300 0.431 0.000 0.861 418 R HN 0.386 nan 8.270 nan 0.000 0.440 419 D N 0.195 120.723 120.400 0.213 0.000 2.219 419 D HA -0.038 4.605 4.640 0.004 0.000 0.205 419 D C 1.576 177.941 176.300 0.109 0.000 0.970 419 D CA 1.202 55.310 54.000 0.179 0.000 0.851 419 D CB 0.020 40.910 40.800 0.150 0.000 0.943 419 D HN 0.338 nan 8.370 nan 0.000 0.488 420 A N 0.363 123.240 122.820 0.095 0.000 1.930 420 A HA -0.055 4.267 4.320 0.004 0.000 0.215 420 A C 2.069 179.687 177.584 0.057 0.000 1.176 420 A CA 0.610 52.685 52.037 0.063 0.000 0.632 420 A CB -0.520 18.510 19.000 0.050 0.000 0.819 420 A HN 0.237 nan 8.150 nan 0.000 0.445 421 L N 0.012 121.276 121.223 0.068 0.000 2.017 421 L HA -0.097 4.246 4.340 0.004 0.000 0.208 421 L C 2.351 179.246 176.870 0.041 0.000 1.073 421 L CA 1.903 56.758 54.840 0.025 0.000 0.745 421 L CB -0.639 41.430 42.059 0.018 0.000 0.894 421 L HN 0.136 nan 8.230 nan 0.000 0.432 422 V N 0.091 120.077 119.914 0.119 0.000 2.252 422 V HA -0.378 3.744 4.120 0.004 0.000 0.249 422 V C 2.652 178.828 176.094 0.138 0.000 1.056 422 V CA 2.401 64.801 62.300 0.167 0.000 1.022 422 V CB -0.688 31.247 31.823 0.186 0.000 0.641 422 V HN 0.495 nan 8.190 nan 0.000 0.445 423 K N -0.191 120.260 120.400 0.085 0.000 2.097 423 K HA -0.106 4.216 4.320 0.004 0.000 0.206 423 K C 2.292 178.949 176.600 0.094 0.000 1.049 423 K CA 1.378 57.718 56.287 0.089 0.000 0.933 423 K CB -0.402 32.129 32.500 0.051 0.000 0.717 423 K HN 0.493 nan 8.250 nan 0.000 0.442 424 A N 1.278 124.124 122.820 0.044 0.000 1.877 424 A HA -0.158 4.165 4.320 0.004 0.000 0.216 424 A C 2.051 179.608 177.584 -0.044 0.000 1.186 424 A CA 1.228 53.256 52.037 -0.016 0.000 0.620 424 A CB -0.498 18.478 19.000 -0.041 0.000 0.822 424 A HN 0.105 nan 8.150 nan 0.000 0.443 425 L N -2.016 119.203 121.223 -0.005 0.000 2.042 425 L HA -0.145 4.198 4.340 0.004 0.000 0.210 425 L C 2.331 179.247 176.870 0.076 0.000 1.076 425 L CA 1.875 56.716 54.840 0.003 0.000 0.749 425 L CB -1.095 40.994 42.059 0.050 0.000 0.893 425 L HN 0.579 nan 8.230 nan 0.000 0.432 426 Y N -0.373 119.959 120.300 0.054 0.000 2.220 426 Y HA -0.089 4.464 4.550 0.004 0.000 0.291 426 Y C 2.354 178.279 175.900 0.042 0.000 1.129 426 Y CA 1.629 59.777 58.100 0.080 0.000 1.161 426 Y CB -0.480 38.034 38.460 0.090 0.000 0.997 426 Y HN 0.171 nan 8.280 nan 0.000 0.522 427 G N -0.058 108.828 108.800 0.144 0.000 2.418 427 G HA2 -0.240 3.722 3.960 0.004 0.000 0.217 427 G HA3 -0.240 3.722 3.960 0.004 0.000 0.217 427 G C 1.702 176.616 174.900 0.022 0.000 1.158 427 G CA 0.840 45.987 45.100 0.078 0.000 0.771 427 G HN 0.326 nan 8.290 nan 0.000 0.545 428 R N -0.634 119.839 120.500 -0.044 0.000 2.092 428 R HA 0.068 4.410 4.340 0.004 0.000 0.231 428 R C 2.440 178.722 176.300 -0.031 0.000 1.119 428 R CA 0.873 56.925 56.100 -0.079 0.000 0.970 428 R CB -0.513 29.654 30.300 -0.222 0.000 0.864 428 R HN 0.365 nan 8.270 nan 0.000 0.440 429 L N 0.499 121.681 121.223 -0.069 0.000 1.994 429 L HA -0.143 4.200 4.340 0.004 0.000 0.208 429 L C 2.022 178.879 176.870 -0.022 0.000 1.071 429 L CA 1.625 56.434 54.840 -0.051 0.000 0.745 429 L CB -0.646 41.328 42.059 -0.141 0.000 0.892 429 L HN 0.023 nan 8.230 nan 0.000 0.431 430 F N -0.492 119.285 119.950 -0.287 0.000 2.069 430 F HA -0.285 4.245 4.527 0.004 0.000 0.298 430 F C 2.397 178.072 175.800 -0.208 0.000 1.113 430 F CA 2.047 59.859 58.000 -0.312 0.000 1.214 430 F CB -0.278 38.520 39.000 -0.337 0.000 0.978 430 F HN 0.108 nan 8.300 nan 0.000 0.474 431 L N -0.814 120.398 121.223 -0.019 0.000 2.081 431 L HA -0.269 4.074 4.340 0.004 0.000 0.212 431 L C 2.284 179.081 176.870 -0.121 0.000 1.080 431 L CA 1.998 56.786 54.840 -0.086 0.000 0.754 431 L CB -0.566 41.491 42.059 -0.003 0.000 0.893 431 L HN 0.549 nan 8.230 nan 0.000 0.433 432 W N 0.348 121.517 121.300 -0.219 0.000 2.379 432 W HA -0.182 4.480 4.660 0.004 0.000 0.307 432 W C 2.239 178.631 176.519 -0.212 0.000 1.200 432 W CA 1.484 58.717 57.345 -0.188 0.000 1.297 432 W CB -0.320 29.049 29.460 -0.152 0.000 1.140 432 W HN 0.009 nan 8.180 nan 0.000 0.507 433 L N -0.118 120.953 121.223 -0.254 0.000 2.042 433 L HA -0.294 4.049 4.340 0.004 0.000 0.210 433 L C 2.304 178.873 176.870 -0.501 0.000 1.076 433 L CA 1.482 56.044 54.840 -0.464 0.000 0.749 433 L CB -1.339 40.368 42.059 -0.586 0.000 0.893 433 L HN -0.113 nan 8.230 nan 0.000 0.432 434 V N -0.138 119.446 119.914 -0.549 0.000 2.255 434 V HA -0.321 3.802 4.120 0.004 0.000 0.247 434 V C 2.506 178.377 176.094 -0.370 0.000 1.051 434 V CA 1.873 63.891 62.300 -0.469 0.000 1.018 434 V CB -0.537 30.996 31.823 -0.484 0.000 0.641 434 V HN 0.423 nan 8.190 nan 0.000 0.445 435 K N -0.090 120.088 120.400 -0.371 0.000 2.063 435 K HA -0.269 4.053 4.320 0.004 0.000 0.208 435 K C 2.256 178.613 176.600 -0.406 0.000 1.048 435 K CA 1.719 57.807 56.287 -0.331 0.000 0.928 435 K CB -0.241 32.085 32.500 -0.291 0.000 0.713 435 K HN 0.231 nan 8.250 nan 0.000 0.442 436 K N 1.383 121.424 120.400 -0.597 0.000 2.097 436 K HA -0.058 4.265 4.320 0.004 0.000 0.206 436 K C 1.808 178.112 176.600 -0.492 0.000 1.049 436 K CA 1.045 56.928 56.287 -0.674 0.000 0.933 436 K CB -0.074 31.805 32.500 -1.035 0.000 0.717 436 K HN 0.079 nan 8.250 nan 0.000 0.442 437 I N 0.702 121.061 120.570 -0.351 0.000 2.353 437 I HA -0.239 3.933 4.170 0.004 0.000 0.248 437 I C 1.593 177.577 176.117 -0.222 0.000 1.119 437 I CA 0.808 61.968 61.300 -0.234 0.000 1.417 437 I CB -0.244 37.659 38.000 -0.161 0.000 1.078 437 I HN 0.228 nan 8.210 nan 0.000 0.421 438 N N 0.935 119.496 118.700 -0.230 0.000 2.309 438 N HA -0.129 4.613 4.740 0.004 0.000 0.182 438 N C 1.432 176.831 175.510 -0.184 0.000 1.018 438 N CA 1.063 53.999 53.050 -0.189 0.000 0.876 438 N CB -0.446 37.935 38.487 -0.177 0.000 0.972 438 N HN 0.465 nan 8.380 nan 0.000 0.434 439 N N -0.231 118.336 118.700 -0.223 0.000 2.142 439 N HA -0.074 4.669 4.740 0.004 0.000 0.186 439 N C 1.587 176.988 175.510 -0.182 0.000 1.023 439 N CA 0.704 53.633 53.050 -0.202 0.000 0.852 439 N CB 0.279 38.620 38.487 -0.243 0.000 0.998 439 N HN -0.043 nan 8.380 nan 0.000 0.424 440 V N 0.991 120.782 119.914 -0.206 0.000 2.488 440 V HA -0.096 4.026 4.120 0.004 0.000 0.246 440 V C 1.883 177.895 176.094 -0.137 0.000 1.046 440 V CA 1.243 63.438 62.300 -0.175 0.000 1.053 440 V CB -0.271 31.434 31.823 -0.197 0.000 0.679 440 V HN 0.291 nan 8.190 nan 0.000 0.458 441 L N -1.325 119.816 121.223 -0.136 0.000 2.298 441 L HA 0.120 4.462 4.340 0.004 0.000 0.209 441 L C 1.469 178.272 176.870 -0.111 0.000 1.084 441 L CA 0.098 54.868 54.840 -0.117 0.000 0.816 441 L CB -0.080 41.909 42.059 -0.116 0.000 0.967 441 L HN 0.306 nan 8.230 nan 0.000 0.460 442 C N 0.113 119.343 119.300 -0.115 0.000 2.604 442 C HA 0.458 4.921 4.460 0.004 0.000 0.396 442 C C 0.791 175.729 174.990 -0.085 0.000 1.282 442 C CA -0.276 58.681 59.018 -0.103 0.000 2.292 442 C CB 0.738 28.414 27.740 -0.106 0.000 2.633 442 C HN 0.367 nan 8.230 nan 0.000 0.620 443 S N 2.236 117.894 115.700 -0.071 0.000 2.614 443 S HA 0.304 4.777 4.470 0.004 0.000 0.275 443 S C 0.623 175.199 174.600 -0.041 0.000 1.161 443 S CA -0.485 57.683 58.200 -0.053 0.000 0.969 443 S CB 1.129 64.302 63.200 -0.044 0.000 1.059 443 S HN 0.878 nan 8.310 nan 0.000 0.482 444 E N 3.770 123.949 120.200 -0.035 0.000 2.338 444 E HA -0.132 4.221 4.350 0.004 0.000 0.197 444 E C 0.693 177.285 176.600 -0.012 0.000 1.007 444 E CA 0.425 56.811 56.400 -0.024 0.000 0.849 444 E CB -0.083 29.603 29.700 -0.023 0.000 0.774 444 E HN 0.567 nan 8.360 nan 0.000 0.506 445 R N 1.949 122.442 120.500 -0.013 0.000 2.280 445 R HA 0.148 4.490 4.340 0.004 0.000 0.326 445 R C -0.601 175.700 176.300 0.001 0.000 1.080 445 R CA -0.400 55.696 56.100 -0.007 0.000 1.002 445 R CB 0.250 30.545 30.300 -0.009 0.000 1.136 445 R HN -0.024 nan 8.270 nan 0.000 0.509 446 K N 2.798 123.204 120.400 0.011 0.000 2.502 446 K HA 0.462 4.785 4.320 0.004 0.000 0.254 446 K C -0.022 176.572 176.600 -0.010 0.000 0.947 446 K CA -0.672 55.638 56.287 0.037 0.000 0.834 446 K CB 2.035 34.584 32.500 0.082 0.000 1.112 446 K HN 0.330 nan 8.250 nan 0.000 0.427 447 A N 3.455 126.229 122.820 -0.075 0.000 1.865 447 A HA -0.007 4.316 4.320 0.004 0.000 0.217 447 A C -0.080 177.129 177.584 -0.626 0.000 1.191 447 A CA 1.193 52.976 52.037 -0.423 0.000 0.623 447 A CB -0.630 18.087 19.000 -0.471 0.000 0.826 447 A HN 0.772 nan 8.150 nan 0.000 0.444 448 Y N -3.311 117.122 120.300 0.221 0.000 2.829 448 Y HA 0.581 5.133 4.550 0.004 0.000 0.322 448 Y C -0.555 175.601 175.900 0.428 0.000 1.357 448 Y CA -1.292 56.941 58.100 0.222 0.000 1.081 448 Y CB 1.162 39.693 38.460 0.118 0.000 1.339 448 Y HN 0.394 nan 8.280 nan 0.000 0.469 449 F N -0.776 119.467 119.950 0.489 0.000 2.665 449 F HA 0.800 5.329 4.527 0.004 0.000 0.308 449 F C -2.350 173.692 175.800 0.405 0.000 1.112 449 F CA -1.263 56.985 58.000 0.413 0.000 0.972 449 F CB 1.201 40.312 39.000 0.185 0.000 1.295 449 F HN 0.289 nan 8.300 nan 0.000 0.440 450 I N 2.902 123.920 120.570 0.746 0.000 2.382 450 I HA 0.570 4.743 4.170 0.004 0.000 0.286 450 I C 0.160 176.544 176.117 0.445 0.000 1.002 450 I CA -0.927 60.671 61.300 0.497 0.000 1.135 450 I CB 1.752 40.040 38.000 0.480 0.000 1.288 450 I HN 0.950 nan 8.210 nan 0.000 0.448 451 G N 5.720 114.773 108.800 0.421 0.000 2.343 451 G HA2 0.585 4.548 3.960 0.004 0.000 0.319 451 G HA3 0.585 4.548 3.960 0.004 0.000 0.319 451 G C -0.768 174.090 174.900 -0.070 0.000 1.126 451 G CA -0.334 44.753 45.100 -0.020 0.000 0.889 451 G HN 0.329 nan 8.290 nan 0.000 0.457 452 V N 3.104 122.877 119.914 -0.234 0.000 2.370 452 V HA 0.350 4.473 4.120 0.004 0.000 0.283 452 V C -0.322 175.763 176.094 -0.015 0.000 1.023 452 V CA -0.803 61.465 62.300 -0.053 0.000 0.857 452 V CB 1.382 33.193 31.823 -0.020 0.000 0.985 452 V HN 0.612 nan 8.190 nan 0.000 0.443 453 L N 4.378 125.693 121.223 0.154 0.000 2.264 453 L HA 0.567 4.910 4.340 0.004 0.000 0.287 453 L C -0.355 176.592 176.870 0.128 0.000 1.039 453 L CA 0.154 55.146 54.840 0.254 0.000 0.829 453 L CB 1.038 43.263 42.059 0.277 0.000 1.211 453 L HN 0.665 nan 8.230 nan 0.000 0.427 454 D N 5.900 126.366 120.400 0.111 0.000 2.467 454 D HA 0.423 5.065 4.640 0.004 0.000 0.220 454 D C -0.937 175.380 176.300 0.029 0.000 1.103 454 D CA 0.130 54.158 54.000 0.046 0.000 0.886 454 D CB 0.370 41.180 40.800 0.016 0.000 1.025 454 D HN 0.518 nan 8.370 nan 0.000 0.514 455 I N 1.230 121.805 120.570 0.008 0.000 3.006 455 I HA 0.246 4.419 4.170 0.004 0.000 0.306 455 I C -0.246 175.849 176.117 -0.037 0.000 1.250 455 I CA -0.757 60.533 61.300 -0.016 0.000 0.996 455 I CB 2.094 40.073 38.000 -0.035 0.000 1.261 455 I HN 0.227 nan 8.210 nan 0.000 0.442 456 S N 2.603 118.277 115.700 -0.043 0.000 2.584 456 S HA 0.510 4.983 4.470 0.004 0.000 0.270 456 S C 0.220 174.770 174.600 -0.085 0.000 1.346 456 S CA 0.338 58.513 58.200 -0.042 0.000 1.018 456 S CB 0.950 64.140 63.200 -0.016 0.000 0.899 456 S HN 0.787 nan 8.310 nan 0.000 0.542 457 G N 1.152 109.910 108.800 -0.071 0.000 2.583 457 G HA2 0.517 4.479 3.960 0.004 0.000 0.280 457 G HA3 0.517 4.479 3.960 0.004 0.000 0.280 457 G C -0.846 173.976 174.900 -0.130 0.000 1.376 457 G CA -0.973 44.060 45.100 -0.113 0.000 1.043 457 G HN 0.638 nan 8.290 nan 0.000 0.538 458 F N 1.331 121.233 119.950 -0.081 0.000 2.590 458 F HA 0.115 4.645 4.527 0.005 0.000 0.389 458 F C 1.222 176.912 175.800 -0.184 0.000 1.049 458 F CA 0.680 58.606 58.000 -0.124 0.000 1.199 458 F CB 0.334 39.283 39.000 -0.084 0.000 1.058 458 F HN 0.197 nan 8.300 nan 0.000 0.556 459 E N 5.303 125.447 120.200 -0.095 0.000 2.175 459 E HA 0.485 4.838 4.350 0.004 0.000 0.278 459 E C -0.464 175.812 176.600 -0.539 0.000 0.969 459 E CA -0.477 55.663 56.400 -0.434 0.000 0.796 459 E CB 2.067 31.384 29.700 -0.639 0.000 1.104 459 E HN 0.467 nan 8.360 nan 0.000 0.395 460 I N 4.238 124.427 120.570 -0.636 0.000 2.649 460 I HA 0.206 4.379 4.170 0.004 0.000 0.275 460 I C -1.013 174.927 176.117 -0.295 0.000 1.153 460 I CA -0.402 60.648 61.300 -0.417 0.000 1.069 460 I CB 0.162 38.037 38.000 -0.209 0.000 1.227 460 I HN 0.334 nan 8.210 nan 0.000 0.505 461 F N 3.028 122.951 119.950 -0.046 0.000 2.364 461 F HA 0.411 4.941 4.527 0.005 0.000 0.316 461 F C 1.762 177.534 175.800 -0.047 0.000 1.133 461 F CA -1.120 56.860 58.000 -0.034 0.000 1.051 461 F CB 0.485 39.477 39.000 -0.013 0.000 1.342 461 F HN 0.230 nan 8.300 nan 0.000 0.507 462 K N -0.070 120.450 120.400 0.199 0.000 2.020 462 K HA -0.056 4.266 4.320 0.004 0.000 0.212 462 K C -0.291 176.351 176.600 0.070 0.000 1.050 462 K CA 1.401 57.737 56.287 0.083 0.000 0.929 462 K CB -0.099 32.435 32.500 0.056 0.000 0.714 462 K HN 0.302 nan 8.250 nan 0.000 0.443 463 V N 2.832 122.816 119.914 0.117 0.000 2.378 463 V HA 0.213 4.336 4.120 0.004 0.000 0.288 463 V C -1.061 175.136 176.094 0.172 0.000 1.016 463 V CA -1.002 61.363 62.300 0.108 0.000 0.840 463 V CB 1.412 33.292 31.823 0.096 0.000 0.994 463 V HN 0.269 nan 8.190 nan 0.000 0.431 464 N N 2.807 121.575 118.700 0.113 0.000 2.399 464 N HA 0.559 5.301 4.740 0.004 0.000 0.295 464 N C -0.171 175.552 175.510 0.356 0.000 1.048 464 N CA -0.175 52.966 53.050 0.151 0.000 0.886 464 N CB 2.339 40.727 38.487 -0.165 0.000 1.185 464 N HN 0.618 nan 8.380 nan 0.000 0.487 465 S N 0.442 116.393 115.700 0.418 0.000 2.894 465 S HA 0.368 4.840 4.470 0.004 0.000 0.298 465 S C 0.837 175.617 174.600 0.299 0.000 1.054 465 S CA -0.525 57.984 58.200 0.516 0.000 0.903 465 S CB 0.198 63.594 63.200 0.328 0.000 1.356 465 S HN 0.396 nan 8.310 nan 0.000 0.626 466 F N 2.141 121.798 119.950 -0.488 0.000 2.095 466 F HA -0.005 4.524 4.527 0.004 0.000 0.298 466 F C 2.024 177.571 175.800 -0.421 0.000 1.104 466 F CA 2.561 59.942 58.000 -1.031 0.000 1.232 466 F CB -0.838 37.410 39.000 -1.254 0.000 0.987 466 F HN 0.637 nan 8.300 nan 0.000 0.475 467 E N 0.229 120.236 120.200 -0.321 0.000 2.070 467 E HA -0.284 4.069 4.350 0.004 0.000 0.197 467 E C 2.084 178.553 176.600 -0.218 0.000 1.004 467 E CA 1.901 58.110 56.400 -0.319 0.000 0.805 467 E CB -0.481 29.163 29.700 -0.094 0.000 0.744 467 E HN 0.422 nan 8.360 nan 0.000 0.451 468 Q N -0.094 119.696 119.800 -0.018 0.000 2.135 468 Q HA -0.119 4.224 4.340 0.004 0.000 0.204 468 Q C 2.119 178.188 176.000 0.115 0.000 0.981 468 Q CA 0.905 56.754 55.803 0.075 0.000 0.856 468 Q CB -0.337 28.507 28.738 0.176 0.000 0.902 468 Q HN 0.259 nan 8.270 nan 0.000 0.425 469 L N -0.563 120.700 121.223 0.066 0.000 2.046 469 L HA -0.187 4.156 4.340 0.004 0.000 0.208 469 L C 1.950 178.785 176.870 -0.058 0.000 1.077 469 L CA 1.594 56.404 54.840 -0.049 0.000 0.747 469 L CB -0.577 41.276 42.059 -0.343 0.000 0.896 469 L HN 0.294 nan 8.230 nan 0.000 0.432 470 C N -0.688 118.430 119.300 -0.304 0.000 2.413 470 C HA -0.165 4.298 4.460 0.004 0.000 0.277 470 C C 2.662 177.669 174.990 0.028 0.000 1.265 470 C CA 0.563 59.479 59.018 -0.170 0.000 1.752 470 C CB -1.000 26.288 27.740 -0.753 0.000 1.998 470 C HN 0.563 nan 8.230 nan 0.000 0.489 471 I N 1.572 122.087 120.570 -0.091 0.000 2.406 471 I HA -0.057 4.116 4.170 0.004 0.000 0.249 471 I C 1.847 177.880 176.117 -0.142 0.000 1.122 471 I CA 1.508 62.753 61.300 -0.092 0.000 1.431 471 I CB -0.981 36.958 38.000 -0.103 0.000 1.087 471 I HN 0.375 nan 8.210 nan 0.000 0.424 472 N N -0.127 118.522 118.700 -0.086 0.000 2.331 472 N HA -0.206 4.536 4.740 0.004 0.000 0.180 472 N C 1.768 177.254 175.510 -0.040 0.000 1.019 472 N CA 0.756 53.703 53.050 -0.172 0.000 0.881 472 N CB -0.504 37.836 38.487 -0.245 0.000 0.972 472 N HN 0.366 nan 8.380 nan 0.000 0.435 473 Y N 2.188 122.482 120.300 -0.010 0.000 2.163 473 Y HA -0.085 4.467 4.550 0.004 0.000 0.288 473 Y C 2.078 177.965 175.900 -0.022 0.000 1.136 473 Y CA 1.346 59.495 58.100 0.080 0.000 1.147 473 Y CB -0.834 37.689 38.460 0.106 0.000 0.987 473 Y HN -0.067 nan 8.280 nan 0.000 0.509 474 T N 1.290 115.697 114.554 -0.245 0.000 2.720 474 T HA -0.191 4.162 4.350 0.004 0.000 0.268 474 T C 1.657 176.140 174.700 -0.361 0.000 1.037 474 T CA 1.673 63.531 62.100 -0.403 0.000 1.144 474 T CB -0.317 68.397 68.868 -0.256 0.000 0.864 474 T HN 0.426 nan 8.240 nan 0.000 0.444 475 N N 0.660 119.098 118.700 -0.438 0.000 2.512 475 N HA -0.030 4.713 4.740 0.004 0.000 0.183 475 N C 1.762 177.027 175.510 -0.407 0.000 1.073 475 N CA 0.478 53.157 53.050 -0.619 0.000 0.911 475 N CB 0.042 37.745 38.487 -1.306 0.000 0.964 475 N HN 0.436 nan 8.380 nan 0.000 0.447 476 E N 1.104 121.223 120.200 -0.135 0.000 2.051 476 E HA -0.048 4.305 4.350 0.004 0.000 0.189 476 E C 1.740 178.367 176.600 0.045 0.000 0.979 476 E CA 0.684 57.181 56.400 0.163 0.000 0.803 476 E CB 0.123 30.026 29.700 0.338 0.000 0.761 476 E HN 0.186 nan 8.360 nan 0.000 0.451 477 K N 0.948 121.307 120.400 -0.068 0.000 2.002 477 K HA -0.069 4.254 4.320 0.004 0.000 0.209 477 K C 2.438 179.015 176.600 -0.038 0.000 1.048 477 K CA 0.718 56.953 56.287 -0.086 0.000 0.930 477 K CB -0.773 31.590 32.500 -0.228 0.000 0.714 477 K HN 0.166 nan 8.250 nan 0.000 0.438 478 L N 1.006 122.181 121.223 -0.080 0.000 2.079 478 L HA -0.222 4.121 4.340 0.004 0.000 0.210 478 L C 2.685 179.647 176.870 0.154 0.000 1.081 478 L CA 1.241 56.106 54.840 0.042 0.000 0.752 478 L CB -0.462 41.579 42.059 -0.029 0.000 0.896 478 L HN 0.188 nan 8.230 nan 0.000 0.433 479 Q N 0.101 119.914 119.800 0.021 0.000 2.230 479 Q HA -0.215 4.128 4.340 0.004 0.000 0.202 479 Q C 2.088 178.106 176.000 0.031 0.000 0.963 479 Q CA 1.396 57.181 55.803 -0.029 0.000 0.866 479 Q CB -0.091 28.487 28.738 -0.267 0.000 0.931 479 Q HN 0.453 nan 8.270 nan 0.000 0.452 480 Q N -1.345 118.471 119.800 0.026 0.000 2.269 480 Q HA -0.073 4.269 4.340 0.004 0.000 0.201 480 Q C 1.592 177.491 176.000 -0.170 0.000 0.946 480 Q CA 0.692 56.454 55.803 -0.069 0.000 0.877 480 Q CB -0.073 28.620 28.738 -0.074 0.000 0.963 480 Q HN 0.541 nan 8.270 nan 0.000 0.472 481 F N -0.007 119.875 119.950 -0.114 0.000 2.206 481 F HA -0.134 4.395 4.527 0.004 0.000 0.298 481 F C 1.732 177.578 175.800 0.077 0.000 1.090 481 F CA 0.955 58.948 58.000 -0.010 0.000 1.323 481 F CB -0.117 38.938 39.000 0.092 0.000 1.028 481 F HN 0.161 nan 8.300 nan 0.000 0.492 482 F N 1.531 121.473 119.950 -0.014 0.000 2.084 482 F HA -0.186 4.343 4.527 0.004 0.000 0.296 482 F C 1.998 177.659 175.800 -0.232 0.000 1.111 482 F CA 2.208 59.976 58.000 -0.387 0.000 1.224 482 F CB -0.900 37.800 39.000 -0.499 0.000 0.991 482 F HN -0.117 nan 8.300 nan 0.000 0.471 483 N N -0.503 118.143 118.700 -0.089 0.000 2.192 483 N HA -0.211 4.531 4.740 0.004 0.000 0.188 483 N C 1.609 177.205 175.510 0.142 0.000 1.013 483 N CA 1.780 54.860 53.050 0.049 0.000 0.863 483 N CB -0.495 38.220 38.487 0.381 0.000 0.990 483 N HN 0.535 nan 8.380 nan 0.000 0.430 484 H N -2.414 116.634 119.070 -0.037 0.000 2.395 484 H HA -0.065 4.493 4.556 0.004 0.000 0.299 484 H C 1.473 176.765 175.328 -0.060 0.000 1.070 484 H CA 0.905 56.943 56.048 -0.015 0.000 1.356 484 H CB 0.135 29.886 29.762 -0.018 0.000 1.401 484 H HN 0.338 nan 8.280 nan 0.000 0.524 485 H N 0.345 119.267 119.070 -0.246 0.000 2.470 485 H HA -0.021 4.538 4.556 0.004 0.000 0.289 485 H C 2.295 177.396 175.328 -0.379 0.000 1.033 485 H CA 0.942 56.789 56.048 -0.335 0.000 1.331 485 H CB 0.154 29.658 29.762 -0.429 0.000 1.414 485 H HN 0.267 nan 8.280 nan 0.000 0.545 486 M N -1.084 118.189 119.600 -0.544 0.000 2.236 486 M HA -0.049 4.434 4.480 0.004 0.000 0.266 486 M C 1.683 177.874 176.300 -0.183 0.000 1.070 486 M CA 1.280 56.267 55.300 -0.521 0.000 1.137 486 M CB -0.111 32.047 32.600 -0.736 0.000 1.378 486 M HN 0.314 nan 8.290 nan 0.000 0.426 487 F N 1.355 121.237 119.950 -0.113 0.000 2.102 487 F HA -0.169 4.361 4.527 0.004 0.000 0.298 487 F C 2.269 178.028 175.800 -0.069 0.000 1.105 487 F CA 2.231 60.220 58.000 -0.018 0.000 1.239 487 F CB -0.594 38.366 39.000 -0.067 0.000 0.991 487 F HN 0.110 nan 8.300 nan 0.000 0.474 488 K N 0.391 120.600 120.400 -0.318 0.000 2.020 488 K HA -0.166 4.157 4.320 0.004 0.000 0.212 488 K C 1.931 178.294 176.600 -0.396 0.000 1.050 488 K CA 2.247 58.288 56.287 -0.410 0.000 0.929 488 K CB -0.585 31.794 32.500 -0.201 0.000 0.714 488 K HN 0.279 nan 8.250 nan 0.000 0.443 489 V N 1.697 121.373 119.914 -0.397 0.000 2.515 489 V HA -0.157 3.965 4.120 0.004 0.000 0.250 489 V C 2.365 178.323 176.094 -0.227 0.000 1.058 489 V CA 1.636 63.741 62.300 -0.325 0.000 1.064 489 V CB -0.380 31.215 31.823 -0.380 0.000 0.675 489 V HN 0.375 nan 8.190 nan 0.000 0.461 490 E N 0.551 120.635 120.200 -0.193 0.000 2.110 490 E HA -0.244 4.108 4.350 0.004 0.000 0.193 490 E C 2.373 178.965 176.600 -0.015 0.000 0.988 490 E CA 1.671 58.031 56.400 -0.067 0.000 0.804 490 E CB -0.268 29.506 29.700 0.124 0.000 0.745 490 E HN 0.902 nan 8.360 nan 0.000 0.458 491 Q N 0.147 119.904 119.800 -0.072 0.000 2.297 491 Q HA -0.049 4.294 4.340 0.004 0.000 0.204 491 Q C 1.724 177.718 176.000 -0.010 0.000 0.962 491 Q CA 1.033 56.848 55.803 0.020 0.000 0.879 491 Q CB -0.134 28.483 28.738 -0.201 0.000 0.947 491 Q HN 0.219 nan 8.270 nan 0.000 0.462 492 E N 0.792 120.933 120.200 -0.098 0.000 2.077 492 E HA -0.206 4.147 4.350 0.004 0.000 0.193 492 E C 1.746 178.320 176.600 -0.043 0.000 0.989 492 E CA 1.224 57.579 56.400 -0.076 0.000 0.800 492 E CB 0.144 29.778 29.700 -0.109 0.000 0.746 492 E HN 0.357 nan 8.360 nan 0.000 0.452 493 E N -0.148 120.002 120.200 -0.083 0.000 2.106 493 E HA -0.146 4.207 4.350 0.004 0.000 0.192 493 E C 1.474 178.076 176.600 0.005 0.000 0.984 493 E CA 1.146 57.502 56.400 -0.074 0.000 0.806 493 E CB -0.083 29.514 29.700 -0.170 0.000 0.750 493 E HN 0.410 nan 8.360 nan 0.000 0.458 494 Y N -1.070 119.282 120.300 0.086 0.000 2.286 494 Y HA -0.090 4.463 4.550 0.004 0.000 0.293 494 Y C 2.015 177.888 175.900 -0.045 0.000 1.124 494 Y CA 0.183 58.288 58.100 0.009 0.000 1.178 494 Y CB 0.029 38.544 38.460 0.092 0.000 1.010 494 Y HN 0.099 nan 8.280 nan 0.000 0.536 495 L N 1.217 122.518 121.223 0.130 0.000 1.994 495 L HA -0.116 4.227 4.340 0.004 0.000 0.208 495 L C 1.277 178.162 176.870 0.024 0.000 1.071 495 L CA 1.604 56.473 54.840 0.050 0.000 0.745 495 L CB -0.591 41.481 42.059 0.021 0.000 0.892 495 L HN 0.003 nan 8.230 nan 0.000 0.431 496 K N -0.542 119.872 120.400 0.022 0.000 2.180 496 K HA -0.048 4.274 4.320 0.004 0.000 0.251 496 K C 0.925 177.540 176.600 0.025 0.000 1.014 496 K CA 0.520 56.817 56.287 0.017 0.000 0.913 496 K CB 0.917 33.424 32.500 0.012 0.000 1.008 496 K HN 0.219 nan 8.250 nan 0.000 0.490 497 E N 0.849 121.065 120.200 0.027 0.000 4.067 497 E HA -0.274 4.079 4.350 0.004 0.000 0.346 497 E C -1.040 175.541 176.600 -0.032 0.000 0.613 497 E CA 1.968 58.383 56.400 0.026 0.000 1.252 497 E CB -1.087 28.657 29.700 0.073 0.000 1.731 497 E HN 0.809 nan 8.360 nan 0.000 0.406 498 K N -0.697 119.686 120.400 -0.029 0.000 3.451 498 K HA -0.222 4.101 4.320 0.004 0.000 0.273 498 K C -0.932 175.605 176.600 -0.105 0.000 0.944 498 K CA 1.095 57.355 56.287 -0.045 0.000 0.734 498 K CB -1.660 30.826 32.500 -0.024 0.000 1.437 498 K HN 0.246 nan 8.250 nan 0.000 0.454 499 I N 1.349 121.828 120.570 -0.152 0.000 2.362 499 I HA 0.068 4.241 4.170 0.004 0.000 0.289 499 I C 0.382 176.411 176.117 -0.147 0.000 0.994 499 I CA -0.681 60.462 61.300 -0.261 0.000 1.158 499 I CB 1.353 39.002 38.000 -0.585 0.000 1.315 499 I HN 0.128 nan 8.210 nan 0.000 0.451 500 N N 7.344 125.976 118.700 -0.113 0.000 2.400 500 N HA 0.083 4.826 4.740 0.004 0.000 0.267 500 N C -1.553 173.971 175.510 0.022 0.000 1.208 500 N CA 0.030 53.050 53.050 -0.050 0.000 0.951 500 N CB 0.437 38.900 38.487 -0.040 0.000 1.227 500 N HN 0.603 nan 8.380 nan 0.000 0.488 501 W N 4.098 125.231 121.300 -0.278 0.000 3.615 501 W HA 0.277 4.939 4.660 0.004 0.000 0.319 501 W C -1.675 174.673 176.519 -0.285 0.000 1.172 501 W CA -0.583 56.544 57.345 -0.363 0.000 1.240 501 W CB 1.652 30.677 29.460 -0.725 0.000 1.313 501 W HN 0.194 nan 8.180 nan 0.000 0.487 502 T N 6.011 119.837 114.554 -1.214 0.000 2.786 502 T HA 0.434 4.786 4.350 0.004 0.000 0.283 502 T C -0.617 173.515 174.700 -0.947 0.000 0.992 502 T CA -0.154 61.464 62.100 -0.804 0.000 0.954 502 T CB 1.020 69.626 68.868 -0.437 0.000 0.934 502 T HN 0.186 nan 8.240 nan 0.000 0.440 503 F N 2.818 122.560 119.950 -0.346 0.000 2.411 503 F HA 0.621 5.150 4.527 0.004 0.000 0.324 503 F C 0.770 176.591 175.800 0.035 0.000 1.086 503 F CA -1.967 56.015 58.000 -0.031 0.000 1.028 503 F CB 0.760 39.941 39.000 0.301 0.000 1.284 503 F HN 0.447 nan 8.300 nan 0.000 0.501 504 I N -1.222 119.579 120.570 0.386 0.000 2.934 504 I HA 0.358 4.531 4.170 0.004 0.000 0.315 504 I C 0.208 176.212 176.117 -0.190 0.000 0.997 504 I CA -0.620 60.745 61.300 0.109 0.000 1.184 504 I CB 0.899 38.990 38.000 0.151 0.000 1.400 504 I HN 0.428 nan 8.210 nan 0.000 0.549 505 D N 1.907 122.014 120.400 -0.488 0.000 2.354 505 D HA 0.030 4.672 4.640 0.004 0.000 0.209 505 D C 1.284 176.739 176.300 -1.407 0.000 1.015 505 D CA 0.852 54.208 54.000 -1.073 0.000 0.867 505 D CB 0.172 40.501 40.800 -0.786 0.000 0.933 505 D HN 0.761 nan 8.370 nan 0.000 0.520 506 F N -0.211 119.734 119.950 -0.008 0.000 2.977 506 F HA -0.261 4.268 4.527 0.003 0.000 0.358 506 F C 0.888 176.720 175.800 0.054 0.000 0.666 506 F CA 0.553 58.574 58.000 0.035 0.000 0.866 506 F CB -2.284 36.751 39.000 0.057 0.000 1.450 506 F HN -0.020 nan 8.300 nan 0.000 0.305 507 G N 1.577 110.436 108.800 0.097 0.000 2.663 507 G HA2 0.501 4.464 3.960 0.004 0.000 0.320 507 G HA3 0.501 4.464 3.960 0.004 0.000 0.320 507 G C 0.339 175.294 174.900 0.091 0.000 0.937 507 G CA 0.182 45.384 45.100 0.170 0.000 1.332 507 G HN 0.429 nan 8.290 nan 0.000 0.461 508 L N 2.182 123.470 121.223 0.109 0.000 3.174 508 L HA 0.243 4.585 4.340 0.004 0.000 0.283 508 L C 0.340 177.263 176.870 0.088 0.000 1.187 508 L CA 0.560 55.445 54.840 0.075 0.000 1.018 508 L CB 0.651 42.742 42.059 0.055 0.000 1.433 508 L HN 0.548 nan 8.230 nan 0.000 0.593 509 D N -2.519 117.951 120.400 0.116 0.000 2.520 509 D HA 0.073 4.715 4.640 0.004 0.000 0.223 509 D C 1.199 177.584 176.300 0.142 0.000 1.186 509 D CA 0.160 54.227 54.000 0.111 0.000 0.821 509 D CB 0.365 41.223 40.800 0.097 0.000 1.072 509 D HN -0.017 nan 8.370 nan 0.000 0.518 510 S N 0.428 116.230 115.700 0.170 0.000 2.406 510 S HA -0.079 4.394 4.470 0.004 0.000 0.228 510 S C 1.812 176.509 174.600 0.162 0.000 1.020 510 S CA 0.706 59.024 58.200 0.196 0.000 0.965 510 S CB 0.108 63.423 63.200 0.192 0.000 0.798 510 S HN 0.157 nan 8.310 nan 0.000 0.488 511 Q N 1.019 120.898 119.800 0.131 0.000 2.123 511 Q HA 0.137 4.479 4.340 0.004 0.000 0.199 511 Q C 2.486 178.544 176.000 0.098 0.000 0.966 511 Q CA 1.161 57.032 55.803 0.113 0.000 0.845 511 Q CB -0.596 28.199 28.738 0.095 0.000 0.907 511 Q HN 0.541 nan 8.270 nan 0.000 0.439 512 A N 0.249 123.122 122.820 0.089 0.000 1.908 512 A HA -0.178 4.144 4.320 0.004 0.000 0.218 512 A C 2.266 179.884 177.584 0.056 0.000 1.181 512 A CA 2.135 54.211 52.037 0.065 0.000 0.627 512 A CB -0.687 18.352 19.000 0.064 0.000 0.818 512 A HN 0.371 nan 8.150 nan 0.000 0.445 513 T N -0.212 114.397 114.554 0.092 0.000 2.937 513 T HA 0.075 4.428 4.350 0.004 0.000 0.260 513 T C 1.798 176.571 174.700 0.122 0.000 1.051 513 T CA 1.062 63.218 62.100 0.093 0.000 1.141 513 T CB -0.278 68.685 68.868 0.159 0.000 0.879 513 T HN 0.406 nan 8.240 nan 0.000 0.459 514 I N 1.487 122.155 120.570 0.163 0.000 2.142 514 I HA -0.181 3.991 4.170 0.004 0.000 0.240 514 I C 2.296 178.468 176.117 0.092 0.000 1.078 514 I CA 1.281 62.698 61.300 0.195 0.000 1.343 514 I CB -0.336 37.790 38.000 0.210 0.000 1.046 514 I HN 0.133 nan 8.210 nan 0.000 0.405 515 D N 0.834 121.272 120.400 0.063 0.000 2.117 515 D HA -0.171 4.471 4.640 0.004 0.000 0.197 515 D C 2.210 178.485 176.300 -0.042 0.000 0.987 515 D CA 0.983 54.997 54.000 0.023 0.000 0.829 515 D CB -0.381 40.440 40.800 0.036 0.000 0.961 515 D HN 0.250 nan 8.370 nan 0.000 0.460 516 L N 0.398 121.571 121.223 -0.084 0.000 2.189 516 L HA -0.181 4.162 4.340 0.004 0.000 0.214 516 L C 1.900 178.631 176.870 -0.232 0.000 1.097 516 L CA 0.974 55.667 54.840 -0.245 0.000 0.764 516 L CB -0.010 41.915 42.059 -0.223 0.000 0.900 516 L HN 0.050 nan 8.230 nan 0.000 0.436 517 I N -0.326 120.167 120.570 -0.128 0.000 2.726 517 I HA -0.128 4.045 4.170 0.004 0.000 0.243 517 I C 1.376 177.365 176.117 -0.214 0.000 1.082 517 I CA 0.920 62.123 61.300 -0.162 0.000 1.447 517 I CB -0.187 37.692 38.000 -0.202 0.000 1.250 517 I HN 0.258 nan 8.210 nan 0.000 0.453 518 D N 0.884 121.141 120.400 -0.237 0.000 2.358 518 D HA 0.088 4.731 4.640 0.004 0.000 0.224 518 D C 0.782 177.063 176.300 -0.032 0.000 1.123 518 D CA -0.144 53.760 54.000 -0.161 0.000 0.833 518 D CB -0.433 40.295 40.800 -0.120 0.000 0.946 518 D HN 0.125 nan 8.370 nan 0.000 0.505 519 G N 0.165 108.953 108.800 -0.020 0.000 2.491 519 G HA2 0.201 4.163 3.960 0.004 0.000 0.242 519 G HA3 0.201 4.163 3.960 0.004 0.000 0.242 519 G C 0.569 175.488 174.900 0.032 0.000 1.266 519 G CA -0.624 44.488 45.100 0.020 0.000 0.844 519 G HN 0.139 nan 8.290 nan 0.000 0.571 520 R N -0.198 120.323 120.500 0.036 0.000 2.102 520 R HA 0.177 4.520 4.340 0.004 0.000 0.208 520 R C 0.346 176.668 176.300 0.037 0.000 1.131 520 R CA 0.232 56.350 56.100 0.030 0.000 1.054 520 R CB 0.238 30.553 30.300 0.024 0.000 0.954 520 R HN 0.396 nan 8.270 nan 0.000 0.465 521 Q N 1.441 121.266 119.800 0.041 0.000 2.397 521 Q HA 0.290 4.632 4.340 0.004 0.000 0.260 521 Q C -2.382 173.650 176.000 0.053 0.000 1.002 521 Q CA -1.835 53.994 55.803 0.043 0.000 0.716 521 Q CB 1.736 30.491 28.738 0.028 0.000 1.258 521 Q HN 0.183 nan 8.270 nan 0.000 0.477 522 P HA 0.307 nan 4.420 nan 0.000 0.272 522 P C -2.682 174.692 177.300 0.123 0.000 1.230 522 P CA -1.124 62.037 63.100 0.102 0.000 0.788 522 P CB 0.142 31.925 31.700 0.139 0.000 0.949 523 P HA 0.069 nan 4.420 nan 0.000 0.267 523 P C 0.339 177.767 177.300 0.213 0.000 1.205 523 P CA 0.319 63.473 63.100 0.091 0.000 0.765 523 P CB 0.577 32.276 31.700 -0.002 0.000 0.828 524 G N 2.474 111.352 108.800 0.129 0.000 2.547 524 G HA2 0.279 4.242 3.960 0.004 0.000 0.291 524 G HA3 0.279 4.242 3.960 0.004 0.000 0.291 524 G C 1.281 176.248 174.900 0.112 0.000 1.211 524 G CA -0.930 44.229 45.100 0.098 0.000 0.950 524 G HN 0.395 nan 8.290 nan 0.000 0.504 525 I N -0.306 120.296 120.570 0.052 0.000 2.185 525 I HA -0.259 3.914 4.170 0.004 0.000 0.246 525 I C 2.532 178.709 176.117 0.101 0.000 1.088 525 I CA 1.223 62.582 61.300 0.099 0.000 1.347 525 I CB -0.289 37.766 38.000 0.092 0.000 1.041 525 I HN 0.341 nan 8.210 nan 0.000 0.415 526 L N 0.347 121.612 121.223 0.071 0.000 2.141 526 L HA -0.131 4.211 4.340 0.004 0.000 0.209 526 L C 2.855 179.752 176.870 0.045 0.000 1.094 526 L CA 1.030 55.922 54.840 0.087 0.000 0.763 526 L CB -0.682 41.405 42.059 0.047 0.000 0.908 526 L HN 0.239 nan 8.230 nan 0.000 0.437 527 A N 0.315 123.146 122.820 0.017 0.000 1.898 527 A HA -0.104 4.218 4.320 0.004 0.000 0.216 527 A C 2.198 179.756 177.584 -0.044 0.000 1.181 527 A CA 1.151 53.182 52.037 -0.010 0.000 0.620 527 A CB -0.568 18.427 19.000 -0.008 0.000 0.819 527 A HN 0.359 nan 8.150 nan 0.000 0.442 528 L N -0.968 120.216 121.223 -0.064 0.000 2.291 528 L HA -0.079 4.264 4.340 0.004 0.000 0.214 528 L C 2.381 179.207 176.870 -0.073 0.000 1.120 528 L CA 0.594 55.353 54.840 -0.136 0.000 0.799 528 L CB -0.376 41.541 42.059 -0.237 0.000 0.925 528 L HN 0.437 nan 8.230 nan 0.000 0.446 529 L N -0.616 120.604 121.223 -0.004 0.000 2.209 529 L HA -0.031 4.312 4.340 0.004 0.000 0.207 529 L C 1.829 178.705 176.870 0.009 0.000 1.094 529 L CA 1.542 56.403 54.840 0.034 0.000 0.790 529 L CB -0.345 41.786 42.059 0.120 0.000 0.932 529 L HN 0.047 nan 8.230 nan 0.000 0.447 530 D N -0.330 120.065 120.400 -0.008 0.000 2.103 530 D HA -0.195 4.447 4.640 0.004 0.000 0.199 530 D C 1.935 178.213 176.300 -0.038 0.000 0.978 530 D CA 1.320 55.300 54.000 -0.034 0.000 0.829 530 D CB 0.100 40.874 40.800 -0.044 0.000 0.981 530 D HN 0.529 nan 8.370 nan 0.000 0.464 531 E N 0.447 120.618 120.200 -0.049 0.000 2.005 531 E HA -0.285 4.067 4.350 0.004 0.000 0.198 531 E C 1.962 178.546 176.600 -0.027 0.000 1.010 531 E CA 1.299 57.661 56.400 -0.065 0.000 0.825 531 E CB -0.068 29.562 29.700 -0.118 0.000 0.769 531 E HN -0.035 nan 8.360 nan 0.000 0.456 532 Q N 0.711 120.491 119.800 -0.033 0.000 2.217 532 Q HA -0.176 4.166 4.340 0.004 0.000 0.209 532 Q C 2.024 178.085 176.000 0.102 0.000 0.988 532 Q CA 2.031 57.857 55.803 0.039 0.000 0.878 532 Q CB -0.630 28.112 28.738 0.007 0.000 0.909 532 Q HN 0.230 nan 8.270 nan 0.000 0.424 533 S N -1.659 114.081 115.700 0.066 0.000 2.555 533 S HA -0.002 4.471 4.470 0.004 0.000 0.230 533 S C 0.818 175.490 174.600 0.119 0.000 0.978 533 S CA 0.731 58.982 58.200 0.085 0.000 0.934 533 S CB 0.070 63.304 63.200 0.057 0.000 0.766 533 S HN 0.296 nan 8.310 nan 0.000 0.533 534 V N 1.097 121.086 119.914 0.125 0.000 2.925 534 V HA 0.488 4.611 4.120 0.004 0.000 0.361 534 V C -0.970 175.258 176.094 0.223 0.000 1.361 534 V CA -0.714 61.674 62.300 0.147 0.000 1.184 534 V CB 0.028 31.909 31.823 0.096 0.000 1.245 534 V HN 0.474 nan 8.190 nan 0.000 0.575 535 F N 4.365 124.327 119.950 0.021 0.000 2.427 535 F HA 0.664 5.194 4.527 0.004 0.000 0.348 535 F C -1.929 173.881 175.800 0.017 0.000 1.125 535 F CA -2.686 55.322 58.000 0.013 0.000 0.989 535 F CB 1.891 40.892 39.000 0.002 0.000 1.165 535 F HN 0.180 nan 8.300 nan 0.000 0.442 536 P HA -0.138 nan 4.420 nan 0.000 0.264 536 P C -0.471 176.664 177.300 -0.275 0.000 1.173 536 P CA 0.556 63.534 63.100 -0.203 0.000 0.761 536 P CB 0.505 32.079 31.700 -0.211 0.000 0.794 537 N N -1.899 116.719 118.700 -0.136 0.000 2.815 537 N HA -0.210 4.532 4.740 0.004 0.000 0.247 537 N C 0.321 175.790 175.510 -0.069 0.000 1.030 537 N CA 1.462 54.450 53.050 -0.104 0.000 0.881 537 N CB -1.993 36.415 38.487 -0.132 0.000 1.134 537 N HN 0.742 nan 8.380 nan 0.000 0.582 538 A N 0.786 123.584 122.820 -0.037 0.000 2.540 538 A HA 0.399 4.722 4.320 0.004 0.000 0.239 538 A C 1.133 178.742 177.584 0.042 0.000 1.061 538 A CA 1.055 53.124 52.037 0.053 0.000 0.758 538 A CB 0.219 19.306 19.000 0.145 0.000 0.991 538 A HN 0.447 nan 8.150 nan 0.000 0.502 539 T N -0.849 113.730 114.554 0.043 0.000 2.910 539 T HA 0.467 4.820 4.350 0.004 0.000 0.287 539 T C 0.333 175.055 174.700 0.037 0.000 1.050 539 T CA -0.372 61.749 62.100 0.035 0.000 1.011 539 T CB 1.214 70.097 68.868 0.025 0.000 1.195 539 T HN 0.420 nan 8.240 nan 0.000 0.540 540 D N 0.705 121.126 120.400 0.036 0.000 2.104 540 D HA -0.114 4.529 4.640 0.004 0.000 0.194 540 D C 1.752 178.056 176.300 0.005 0.000 0.994 540 D CA 1.235 55.251 54.000 0.026 0.000 0.830 540 D CB -0.238 40.585 40.800 0.039 0.000 0.959 540 D HN 0.546 nan 8.370 nan 0.000 0.452 541 N N -0.015 118.696 118.700 0.019 0.000 2.520 541 N HA -0.066 4.677 4.740 0.004 0.000 0.185 541 N C 1.385 176.909 175.510 0.024 0.000 1.068 541 N CA 0.597 53.661 53.050 0.024 0.000 0.911 541 N CB 0.057 38.564 38.487 0.033 0.000 0.961 541 N HN 0.176 nan 8.380 nan 0.000 0.446 542 T N 0.909 115.478 114.554 0.024 0.000 3.009 542 T HA 0.041 4.394 4.350 0.004 0.000 0.258 542 T C 1.902 176.608 174.700 0.010 0.000 1.063 542 T CA 0.040 62.161 62.100 0.034 0.000 1.139 542 T CB 0.165 69.068 68.868 0.059 0.000 0.890 542 T HN 0.081 nan 8.240 nan 0.000 0.471 543 L N 0.960 122.174 121.223 -0.016 0.000 2.131 543 L HA 0.257 4.600 4.340 0.004 0.000 0.206 543 L C 2.036 178.823 176.870 -0.139 0.000 1.087 543 L CA 1.188 55.988 54.840 -0.066 0.000 0.767 543 L CB -0.477 41.549 42.059 -0.056 0.000 0.917 543 L HN 0.128 nan 8.230 nan 0.000 0.441 544 I N -0.697 119.793 120.570 -0.134 0.000 2.361 544 I HA -0.246 3.926 4.170 0.004 0.000 0.251 544 I C 2.040 178.032 176.117 -0.209 0.000 1.133 544 I CA 1.955 63.127 61.300 -0.212 0.000 1.413 544 I CB -0.439 37.512 38.000 -0.082 0.000 1.073 544 I HN 0.313 nan 8.210 nan 0.000 0.424 545 T N -0.038 114.502 114.554 -0.023 0.000 2.812 545 T HA -0.145 4.208 4.350 0.004 0.000 0.264 545 T C 1.882 176.588 174.700 0.010 0.000 1.042 545 T CA 1.450 63.597 62.100 0.079 0.000 1.140 545 T CB -0.204 68.708 68.868 0.073 0.000 0.870 545 T HN 0.161 nan 8.240 nan 0.000 0.445 546 K N 1.476 121.842 120.400 -0.056 0.000 2.097 546 K HA 0.078 4.400 4.320 0.004 0.000 0.206 546 K C 2.009 178.506 176.600 -0.171 0.000 1.049 546 K CA 1.172 57.410 56.287 -0.082 0.000 0.933 546 K CB -0.764 31.662 32.500 -0.123 0.000 0.717 546 K HN 0.302 nan 8.250 nan 0.000 0.442 547 L N -0.089 120.973 121.223 -0.267 0.000 2.083 547 L HA -0.189 4.154 4.340 0.004 0.000 0.209 547 L C 2.329 178.970 176.870 -0.381 0.000 1.083 547 L CA 1.126 55.742 54.840 -0.373 0.000 0.752 547 L CB -0.598 41.198 42.059 -0.437 0.000 0.899 547 L HN 0.352 nan 8.230 nan 0.000 0.433 548 H N -0.518 118.474 119.070 -0.130 0.000 2.395 548 H HA -0.036 4.523 4.556 0.004 0.000 0.299 548 H C 2.295 177.524 175.328 -0.164 0.000 1.070 548 H CA 1.479 57.481 56.048 -0.077 0.000 1.356 548 H CB -0.091 29.701 29.762 0.050 0.000 1.401 548 H HN 0.351 nan 8.280 nan 0.000 0.524 549 S N -0.562 115.118 115.700 -0.034 0.000 2.743 549 S HA 0.032 4.504 4.470 0.004 0.000 0.230 549 S C 0.891 175.320 174.600 -0.286 0.000 0.950 549 S CA 0.034 58.166 58.200 -0.115 0.000 0.976 549 S CB -0.136 63.017 63.200 -0.079 0.000 0.779 549 S HN 0.376 nan 8.310 nan 0.000 0.487 550 H N -1.292 117.449 119.070 -0.549 0.000 3.400 550 H HA 0.440 4.999 4.556 0.004 0.000 0.251 550 H C 0.437 175.138 175.328 -1.044 0.000 1.040 550 H CA 0.207 55.724 56.048 -0.884 0.000 1.175 550 H CB 0.564 29.524 29.762 -1.337 0.000 1.487 550 H HN 0.494 nan 8.280 nan 0.000 0.505 551 F N -1.855 117.870 119.950 -0.374 0.000 2.815 551 F HA 0.202 4.731 4.527 0.003 0.000 0.328 551 F C 0.932 176.529 175.800 -0.338 0.000 0.982 551 F CA -0.303 57.398 58.000 -0.498 0.000 1.154 551 F CB 0.518 38.928 39.000 -0.983 0.000 0.980 551 F HN -0.181 nan 8.300 nan 0.000 0.603 552 S N 2.492 118.099 115.700 -0.155 0.000 2.544 552 S HA 0.048 4.521 4.470 0.004 0.000 0.290 552 S C 0.542 175.218 174.600 0.126 0.000 1.276 552 S CA 0.085 58.410 58.200 0.209 0.000 1.075 552 S CB -0.097 63.255 63.200 0.253 0.000 0.849 552 S HN 0.283 nan 8.310 nan 0.000 0.494 553 K N 2.610 123.111 120.400 0.167 0.000 3.125 553 K HA -0.150 4.173 4.320 0.004 0.000 0.268 553 K C 0.103 176.749 176.600 0.077 0.000 1.078 553 K CA 1.314 57.662 56.287 0.101 0.000 0.775 553 K CB -1.772 30.763 32.500 0.059 0.000 1.253 553 K HN 0.834 nan 8.250 nan 0.000 0.486 554 K N -0.684 119.782 120.400 0.110 0.000 2.836 554 K HA 0.085 4.408 4.320 0.004 0.000 0.269 554 K C 0.118 176.792 176.600 0.124 0.000 2.221 554 K CA -0.795 55.547 56.287 0.092 0.000 1.199 554 K CB -0.197 32.346 32.500 0.071 0.000 2.572 554 K HN 0.092 nan 8.250 nan 0.000 0.395 555 N N 2.083 120.885 118.700 0.171 0.000 2.374 555 N HA -0.048 4.695 4.740 0.004 0.000 0.269 555 N C 0.353 175.953 175.510 0.150 0.000 1.310 555 N CA 0.440 53.580 53.050 0.150 0.000 0.877 555 N CB 1.245 39.814 38.487 0.137 0.000 1.096 555 N HN 0.505 nan 8.380 nan 0.000 0.484 556 A N 4.636 127.519 122.820 0.105 0.000 2.259 556 A HA -0.092 4.230 4.320 0.004 0.000 0.212 556 A C 1.741 179.377 177.584 0.086 0.000 1.178 556 A CA 1.000 53.092 52.037 0.093 0.000 0.734 556 A CB 0.030 19.069 19.000 0.065 0.000 0.774 556 A HN 0.581 nan 8.150 nan 0.000 0.481 557 K N -1.919 118.534 120.400 0.088 0.000 2.352 557 K HA 0.153 4.476 4.320 0.004 0.000 0.194 557 K C 0.011 176.668 176.600 0.094 0.000 1.038 557 K CA -0.006 56.315 56.287 0.058 0.000 1.023 557 K CB -0.136 32.376 32.500 0.020 0.000 0.840 557 K HN 0.596 nan 8.250 nan 0.000 0.519 558 Y N 1.503 121.826 120.300 0.037 0.000 2.354 558 Y HA 0.252 4.804 4.550 0.003 0.000 0.322 558 Y C -0.399 175.595 175.900 0.156 0.000 1.253 558 Y CA -0.487 57.679 58.100 0.109 0.000 1.272 558 Y CB 1.094 39.626 38.460 0.120 0.000 1.255 558 Y HN -0.007 nan 8.280 nan 0.000 0.500 559 E N 3.381 123.434 120.200 -0.245 0.000 2.381 559 E HA 0.147 4.499 4.350 0.004 0.000 0.286 559 E C -2.054 174.557 176.600 0.020 0.000 0.960 559 E CA -0.745 55.672 56.400 0.028 0.000 0.793 559 E CB 1.278 30.989 29.700 0.019 0.000 1.225 559 E HN 0.718 nan 8.360 nan 0.000 0.420 560 E N 6.130 126.464 120.200 0.222 0.000 2.055 560 E HA 0.324 4.677 4.350 0.004 0.000 0.274 560 E C -2.034 174.626 176.600 0.100 0.000 0.949 560 E CA -2.204 54.322 56.400 0.210 0.000 0.775 560 E CB 0.863 30.590 29.700 0.045 0.000 1.097 560 E HN 0.339 nan 8.360 nan 0.000 0.404 561 P HA -0.035 nan 4.420 nan 0.000 0.268 561 P C -0.115 177.241 177.300 0.093 0.000 1.208 561 P CA 0.062 63.225 63.100 0.105 0.000 0.777 561 P CB 0.985 32.755 31.700 0.117 0.000 0.875 562 R N 0.450 121.034 120.500 0.139 0.000 2.140 562 R HA 0.067 4.410 4.340 0.004 0.000 0.213 562 R C 1.967 178.303 176.300 0.060 0.000 1.059 562 R CA 1.073 57.226 56.100 0.088 0.000 1.000 562 R CB -0.311 30.055 30.300 0.109 0.000 0.910 562 R HN 0.398 nan 8.270 nan 0.000 0.455 563 F N 0.522 120.475 119.950 0.005 0.000 2.220 563 F HA 0.121 4.650 4.527 0.003 0.000 0.290 563 F C 1.441 177.251 175.800 0.017 0.000 1.080 563 F CA 0.474 58.479 58.000 0.008 0.000 1.318 563 F CB -0.227 38.777 39.000 0.007 0.000 1.063 563 F HN -0.204 nan 8.300 nan 0.000 0.498 564 S N 0.645 116.481 115.700 0.227 0.000 2.548 564 S HA 0.132 4.605 4.470 0.004 0.000 0.277 564 S C 1.043 175.719 174.600 0.127 0.000 1.315 564 S CA -0.523 57.767 58.200 0.150 0.000 1.050 564 S CB 0.542 63.818 63.200 0.126 0.000 0.918 564 S HN 0.075 nan 8.310 nan 0.000 0.497 565 K N 2.302 122.770 120.400 0.112 0.000 2.348 565 K HA 0.060 4.382 4.320 0.004 0.000 0.194 565 K C 1.810 178.502 176.600 0.154 0.000 1.052 565 K CA 0.799 57.156 56.287 0.117 0.000 1.004 565 K CB -0.472 32.074 32.500 0.077 0.000 0.873 565 K HN 0.791 nan 8.250 nan 0.000 0.523 566 T N -1.703 112.925 114.554 0.123 0.000 3.065 566 T HA 0.181 4.533 4.350 0.004 0.000 0.252 566 T C 0.654 175.418 174.700 0.107 0.000 1.099 566 T CA -0.044 62.117 62.100 0.101 0.000 1.063 566 T CB 0.413 69.324 68.868 0.072 0.000 0.948 566 T HN 0.018 nan 8.240 nan 0.000 0.506 567 E N 0.694 120.979 120.200 0.141 0.000 2.232 567 E HA 0.646 4.999 4.350 0.004 0.000 0.264 567 E C -1.284 175.464 176.600 0.246 0.000 0.973 567 E CA -1.224 55.248 56.400 0.119 0.000 0.849 567 E CB 1.595 31.332 29.700 0.061 0.000 1.198 567 E HN 0.415 nan 8.360 nan 0.000 0.407 568 F N -1.549 118.427 119.950 0.043 0.000 2.665 568 F HA 0.674 5.204 4.527 0.004 0.000 0.308 568 F C -1.069 174.691 175.800 -0.067 0.000 1.112 568 F CA -0.782 57.206 58.000 -0.020 0.000 0.972 568 F CB 1.058 40.001 39.000 -0.094 0.000 1.295 568 F HN 0.400 nan 8.300 nan 0.000 0.440 569 G N 1.784 110.544 108.800 -0.067 0.000 2.495 569 G HA2 0.642 4.605 3.960 0.004 0.000 0.318 569 G HA3 0.642 4.605 3.960 0.004 0.000 0.318 569 G C -1.959 172.906 174.900 -0.058 0.000 1.257 569 G CA -0.882 44.130 45.100 -0.148 0.000 0.962 569 G HN 1.527 nan 8.290 nan 0.000 0.483 570 V N 0.755 120.671 119.914 0.003 0.000 2.680 570 V HA 0.776 4.898 4.120 0.004 0.000 0.309 570 V C -0.229 175.785 176.094 -0.134 0.000 1.052 570 V CA -0.559 61.733 62.300 -0.014 0.000 0.908 570 V CB 2.075 33.930 31.823 0.055 0.000 1.001 570 V HN 0.642 nan 8.190 nan 0.000 0.431 571 T N 6.525 121.003 114.554 -0.126 0.000 2.739 571 T HA 0.436 4.788 4.350 0.004 0.000 0.298 571 T C -0.293 174.328 174.700 -0.131 0.000 0.929 571 T CA 0.091 62.129 62.100 -0.103 0.000 1.014 571 T CB -0.606 68.234 68.868 -0.048 0.000 0.914 571 T HN 0.766 nan 8.240 nan 0.000 0.509 572 H N 1.541 120.603 119.070 -0.014 0.000 2.523 572 H HA 0.139 4.697 4.556 0.005 0.000 0.345 572 H C 0.796 176.028 175.328 -0.160 0.000 1.261 572 H CA -0.802 55.233 56.048 -0.022 0.000 1.343 572 H CB 0.725 30.456 29.762 -0.051 0.000 1.650 572 H HN 0.620 nan 8.280 nan 0.000 0.591 573 Y N 1.203 121.424 120.300 -0.131 0.000 2.241 573 Y HA -0.235 4.318 4.550 0.005 0.000 0.286 573 Y C 1.883 177.555 175.900 -0.381 0.000 1.166 573 Y CA 1.947 59.926 58.100 -0.203 0.000 1.203 573 Y CB -0.055 38.379 38.460 -0.045 0.000 0.977 573 Y HN 0.612 nan 8.280 nan 0.000 0.529 574 A N -0.394 122.020 122.820 -0.675 0.000 2.308 574 A HA 0.554 4.876 4.320 0.004 0.000 0.217 574 A C 0.961 178.353 177.584 -0.319 0.000 1.216 574 A CA 0.713 52.435 52.037 -0.524 0.000 0.864 574 A CB -0.813 17.803 19.000 -0.640 0.000 0.902 574 A HN 0.730 nan 8.150 nan 0.000 0.499 575 G N -1.083 107.568 108.800 -0.249 0.000 2.355 575 G HA2 0.125 4.088 3.960 0.004 0.000 0.619 575 G HA3 0.125 4.088 3.960 0.004 0.000 0.619 575 G C -0.620 174.219 174.900 -0.102 0.000 1.337 575 G CA -0.375 44.630 45.100 -0.158 0.000 0.993 575 G HN 0.541 nan 8.290 nan 0.000 0.599 576 Q N -0.623 119.122 119.800 -0.091 0.000 2.311 576 Q HA 0.477 4.820 4.340 0.004 0.000 0.272 576 Q C -0.287 175.650 176.000 -0.104 0.000 1.012 576 Q CA -0.215 55.539 55.803 -0.082 0.000 0.891 576 Q CB 0.806 29.498 28.738 -0.077 0.000 1.201 576 Q HN 0.676 nan 8.270 nan 0.000 0.391 577 V N 5.885 125.732 119.914 -0.113 0.000 2.409 577 V HA 0.313 4.436 4.120 0.004 0.000 0.291 577 V C -0.261 175.584 176.094 -0.415 0.000 1.020 577 V CA -0.809 61.336 62.300 -0.258 0.000 0.848 577 V CB 1.588 33.282 31.823 -0.215 0.000 0.990 577 V HN 0.874 nan 8.190 nan 0.000 0.430 578 M N 5.141 124.504 119.600 -0.394 0.000 2.108 578 M HA 0.449 4.932 4.480 0.004 0.000 0.354 578 M C -0.994 175.032 176.300 -0.457 0.000 1.229 578 M CA -0.268 54.821 55.300 -0.351 0.000 1.081 578 M CB 0.477 32.966 32.600 -0.185 0.000 1.606 578 M HN 0.517 nan 8.290 nan 0.000 0.467 579 Y N 1.074 121.123 120.300 -0.419 0.000 2.331 579 Y HA 0.330 4.883 4.550 0.004 0.000 0.338 579 Y C 0.492 176.252 175.900 -0.233 0.000 0.992 579 Y CA -0.884 57.028 58.100 -0.313 0.000 1.121 579 Y CB 1.021 39.191 38.460 -0.484 0.000 1.184 579 Y HN 0.534 nan 8.280 nan 0.000 0.469 580 E N 2.634 122.940 120.200 0.175 0.000 2.259 580 E HA 0.131 4.484 4.350 0.004 0.000 0.281 580 E C 0.284 176.932 176.600 0.078 0.000 1.037 580 E CA 0.022 56.502 56.400 0.132 0.000 0.854 580 E CB 0.796 30.601 29.700 0.175 0.000 1.051 580 E HN 0.659 nan 8.360 nan 0.000 0.409 581 I N 3.434 123.924 120.570 -0.135 0.000 2.617 581 I HA -0.057 4.116 4.170 0.004 0.000 0.256 581 I C 0.904 176.941 176.117 -0.134 0.000 1.167 581 I CA 0.743 61.761 61.300 -0.471 0.000 1.469 581 I CB -0.376 37.455 38.000 -0.283 0.000 1.098 581 I HN 0.733 nan 8.210 nan 0.000 0.436 582 Q N 1.225 121.068 119.800 0.073 0.000 2.368 582 Q HA -0.188 4.155 4.340 0.004 0.000 0.331 582 Q C 0.101 176.270 176.000 0.283 0.000 1.086 582 Q CA 1.153 57.045 55.803 0.149 0.000 1.031 582 Q CB 0.143 28.956 28.738 0.125 0.000 1.125 582 Q HN 0.473 nan 8.270 nan 0.000 0.389 583 D N 2.148 122.676 120.400 0.214 0.000 2.946 583 D HA -0.238 4.405 4.640 0.004 0.000 0.202 583 D C -0.073 176.386 176.300 0.266 0.000 1.068 583 D CA 1.411 55.535 54.000 0.206 0.000 1.011 583 D CB -1.417 39.484 40.800 0.170 0.000 1.105 583 D HN 0.701 nan 8.370 nan 0.000 0.425 584 W N 1.188 122.490 121.300 0.003 0.000 2.338 584 W HA 0.033 4.695 4.660 0.004 0.000 0.304 584 W C 2.521 178.951 176.519 -0.149 0.000 1.212 584 W CA 1.035 58.327 57.345 -0.088 0.000 1.264 584 W CB -0.949 28.480 29.460 -0.051 0.000 1.142 584 W HN 0.180 nan 8.180 nan 0.000 0.512 585 L N -0.300 121.026 121.223 0.173 0.000 2.131 585 L HA -0.210 4.132 4.340 0.004 0.000 0.210 585 L C 2.365 179.265 176.870 0.050 0.000 1.092 585 L CA 1.635 56.525 54.840 0.084 0.000 0.759 585 L CB -0.624 41.485 42.059 0.083 0.000 0.903 585 L HN 0.092 nan 8.230 nan 0.000 0.435 586 E N 0.157 120.390 120.200 0.055 0.000 2.122 586 E HA -0.167 4.186 4.350 0.004 0.000 0.190 586 E C 2.121 178.729 176.600 0.012 0.000 0.977 586 E CA 0.597 57.020 56.400 0.040 0.000 0.820 586 E CB 0.259 29.988 29.700 0.049 0.000 0.770 586 E HN 0.362 nan 8.360 nan 0.000 0.462 587 K N 0.569 120.954 120.400 -0.025 0.000 2.026 587 K HA -0.144 4.178 4.320 0.004 0.000 0.208 587 K C 2.041 178.564 176.600 -0.128 0.000 1.048 587 K CA 1.387 57.633 56.287 -0.068 0.000 0.929 587 K CB -0.192 32.235 32.500 -0.121 0.000 0.713 587 K HN 0.008 nan 8.250 nan 0.000 0.439 588 N N 1.159 119.692 118.700 -0.278 0.000 2.364 588 N HA -0.146 4.597 4.740 0.004 0.000 0.183 588 N C 1.372 176.896 175.510 0.024 0.000 1.022 588 N CA 1.326 54.236 53.050 -0.233 0.000 0.883 588 N CB 0.189 38.503 38.487 -0.288 0.000 0.965 588 N HN 0.046 nan 8.380 nan 0.000 0.438 589 K N 0.010 120.449 120.400 0.066 0.000 2.276 589 K HA 0.033 4.356 4.320 0.004 0.000 0.198 589 K C -0.547 176.116 176.600 0.106 0.000 1.052 589 K CA 0.338 56.728 56.287 0.173 0.000 0.984 589 K CB 0.298 32.880 32.500 0.137 0.000 0.836 589 K HN 0.070 nan 8.250 nan 0.000 0.490 590 D N 1.411 121.845 120.400 0.057 0.000 3.003 590 D HA -0.119 4.523 4.640 0.004 0.000 0.223 590 D C -2.356 173.947 176.300 0.005 0.000 1.204 590 D CA 0.137 54.161 54.000 0.039 0.000 0.828 590 D CB -0.090 40.746 40.800 0.061 0.000 0.918 590 D HN 0.178 nan 8.370 nan 0.000 0.401 591 P HA 0.484 nan 4.420 nan 0.000 0.276 591 P C -0.742 176.548 177.300 -0.018 0.000 1.261 591 P CA -0.799 62.280 63.100 -0.035 0.000 0.800 591 P CB 1.143 32.828 31.700 -0.026 0.000 1.066 592 L N 0.544 121.752 121.223 -0.024 0.000 2.753 592 L HA 0.178 4.521 4.340 0.004 0.000 0.259 592 L C -0.625 176.246 176.870 0.003 0.000 0.958 592 L CA -0.381 54.459 54.840 0.000 0.000 0.955 592 L CB 1.404 43.467 42.059 0.008 0.000 1.317 592 L HN 0.208 nan 8.230 nan 0.000 0.436 593 Q N 2.483 122.289 119.800 0.011 0.000 2.549 593 Q HA -0.164 4.179 4.340 0.004 0.000 0.347 593 Q C 0.838 176.851 176.000 0.023 0.000 1.081 593 Q CA 0.637 56.447 55.803 0.012 0.000 1.093 593 Q CB 0.852 29.601 28.738 0.019 0.000 1.067 593 Q HN 0.774 nan 8.270 nan 0.000 0.398 594 Q N 2.830 122.638 119.800 0.012 0.000 2.181 594 Q HA -0.189 4.154 4.340 0.004 0.000 0.205 594 Q C 0.606 176.625 176.000 0.032 0.000 0.980 594 Q CA 1.949 57.764 55.803 0.021 0.000 0.862 594 Q CB 0.180 28.923 28.738 0.007 0.000 0.905 594 Q HN 0.542 nan 8.270 nan 0.000 0.429 595 D N -0.501 119.915 120.400 0.027 0.000 2.178 595 D HA -0.108 4.534 4.640 0.004 0.000 0.201 595 D C 1.513 177.840 176.300 0.044 0.000 0.980 595 D CA 0.822 54.838 54.000 0.027 0.000 0.842 595 D CB -0.026 40.786 40.800 0.020 0.000 0.948 595 D HN 0.331 nan 8.370 nan 0.000 0.472 596 L N 0.600 121.860 121.223 0.063 0.000 2.291 596 L HA -0.070 4.273 4.340 0.004 0.000 0.214 596 L C 2.285 179.211 176.870 0.093 0.000 1.120 596 L CA 0.678 55.578 54.840 0.101 0.000 0.799 596 L CB -0.036 42.073 42.059 0.083 0.000 0.925 596 L HN -0.061 nan 8.230 nan 0.000 0.446 597 E N 0.251 120.504 120.200 0.089 0.000 2.046 597 E HA -0.126 4.226 4.350 0.004 0.000 0.190 597 E C 2.348 178.980 176.600 0.053 0.000 0.982 597 E CA 1.014 57.494 56.400 0.135 0.000 0.800 597 E CB -0.125 29.666 29.700 0.151 0.000 0.756 597 E HN 0.464 nan 8.360 nan 0.000 0.449 598 L N 0.654 121.898 121.223 0.037 0.000 2.012 598 L HA -0.224 4.119 4.340 0.004 0.000 0.210 598 L C 2.968 179.811 176.870 -0.045 0.000 1.073 598 L CA 1.242 56.085 54.840 0.004 0.000 0.748 598 L CB -0.750 41.311 42.059 0.003 0.000 0.891 598 L HN 0.274 nan 8.230 nan 0.000 0.431 599 C N 0.084 119.355 119.300 -0.048 0.000 2.401 599 C HA -0.237 4.225 4.460 0.004 0.000 0.276 599 C C 2.666 177.461 174.990 -0.324 0.000 1.233 599 C CA 0.899 59.828 59.018 -0.149 0.000 1.753 599 C CB -0.925 26.744 27.740 -0.117 0.000 2.029 599 C HN 0.464 nan 8.230 nan 0.000 0.478 600 F N 0.691 120.381 119.950 -0.433 0.000 2.473 600 F HA 0.170 4.700 4.527 0.004 0.000 0.294 600 F C 2.413 177.952 175.800 -0.435 0.000 1.103 600 F CA 1.105 58.715 58.000 -0.650 0.000 1.442 600 F CB -0.514 37.565 39.000 -1.534 0.000 1.097 600 F HN 0.136 nan 8.300 nan 0.000 0.547 601 K N -0.005 120.324 120.400 -0.118 0.000 2.113 601 K HA -0.175 4.147 4.320 0.004 0.000 0.208 601 K C 0.126 176.719 176.600 -0.012 0.000 1.047 601 K CA 1.423 57.723 56.287 0.023 0.000 0.928 601 K CB -0.164 32.367 32.500 0.051 0.000 0.716 601 K HN 0.071 nan 8.250 nan 0.000 0.446 602 D N 0.775 121.135 120.400 -0.067 0.000 3.168 602 D HA 0.034 4.676 4.640 0.004 0.000 0.255 602 D C -0.632 175.607 176.300 -0.102 0.000 1.314 602 D CA 0.199 54.159 54.000 -0.068 0.000 0.900 602 D CB 0.488 41.247 40.800 -0.070 0.000 1.072 602 D HN -0.047 nan 8.370 nan 0.000 0.487 603 S N -0.461 115.187 115.700 -0.087 0.000 2.585 603 S HA 0.200 4.672 4.470 0.004 0.000 0.277 603 S C 1.492 176.070 174.600 -0.037 0.000 1.241 603 S CA -0.572 57.573 58.200 -0.091 0.000 1.041 603 S CB 0.984 64.153 63.200 -0.051 0.000 0.987 603 S HN 0.224 nan 8.310 nan 0.000 0.512 604 S N 2.246 117.928 115.700 -0.031 0.000 2.496 604 S HA 0.045 4.517 4.470 0.004 0.000 0.224 604 S C 0.461 175.065 174.600 0.007 0.000 0.996 604 S CA -0.085 58.109 58.200 -0.011 0.000 0.927 604 S CB -0.224 62.970 63.200 -0.011 0.000 0.774 604 S HN 0.789 nan 8.310 nan 0.000 0.524 605 D N 1.483 121.895 120.400 0.020 0.000 2.308 605 D HA 0.228 4.871 4.640 0.004 0.000 0.251 605 D C 0.512 176.817 176.300 0.007 0.000 1.127 605 D CA -0.100 53.917 54.000 0.027 0.000 0.876 605 D CB 0.858 41.696 40.800 0.063 0.000 1.176 605 D HN 0.000 nan 8.370 nan 0.000 0.446 606 N N 1.883 120.580 118.700 -0.005 0.000 2.069 606 N HA -0.166 4.577 4.740 0.004 0.000 0.191 606 N C 1.766 177.233 175.510 -0.072 0.000 1.031 606 N CA 1.245 54.284 53.050 -0.018 0.000 0.852 606 N CB 0.156 38.641 38.487 -0.003 0.000 1.018 606 N HN 0.243 nan 8.380 nan 0.000 0.423 607 V N -0.177 119.647 119.914 -0.149 0.000 2.270 607 V HA -0.162 3.960 4.120 0.004 0.000 0.245 607 V C 2.197 178.123 176.094 -0.280 0.000 1.043 607 V CA 1.222 63.293 62.300 -0.381 0.000 1.014 607 V CB -0.624 30.874 31.823 -0.542 0.000 0.645 607 V HN 0.132 nan 8.190 nan 0.000 0.447 608 V N 0.082 119.942 119.914 -0.090 0.000 2.370 608 V HA -0.344 3.779 4.120 0.004 0.000 0.252 608 V C 2.544 178.726 176.094 0.146 0.000 1.068 608 V CA 2.700 65.048 62.300 0.080 0.000 1.061 608 V CB -1.268 30.654 31.823 0.166 0.000 0.656 608 V HN 0.619 nan 8.190 nan 0.000 0.455 609 T N -0.613 113.977 114.554 0.061 0.000 2.674 609 T HA -0.168 4.184 4.350 0.004 0.000 0.265 609 T C 2.044 176.783 174.700 0.065 0.000 1.039 609 T CA 1.275 63.424 62.100 0.081 0.000 1.150 609 T CB -0.238 68.651 68.868 0.036 0.000 0.864 609 T HN 0.339 nan 8.240 nan 0.000 0.427 610 K N 1.283 121.671 120.400 -0.020 0.000 2.074 610 K HA -0.016 4.306 4.320 0.004 0.000 0.209 610 K C 2.201 178.773 176.600 -0.047 0.000 1.048 610 K CA 1.053 57.326 56.287 -0.024 0.000 0.926 610 K CB -0.817 31.652 32.500 -0.051 0.000 0.713 610 K HN 0.397 nan 8.250 nan 0.000 0.444 611 L N -0.847 120.302 121.223 -0.125 0.000 2.265 611 L HA -0.114 4.228 4.340 0.004 0.000 0.215 611 L C 1.743 178.376 176.870 -0.395 0.000 1.117 611 L CA 1.074 55.773 54.840 -0.235 0.000 0.782 611 L CB -0.299 41.590 42.059 -0.284 0.000 0.914 611 L HN 0.039 nan 8.230 nan 0.000 0.441 612 F N -1.335 118.590 119.950 -0.041 0.000 2.752 612 F HA 0.114 4.644 4.527 0.004 0.000 0.310 612 F C 1.963 177.762 175.800 -0.002 0.000 1.097 612 F CA 0.061 58.051 58.000 -0.017 0.000 1.238 612 F CB 0.062 39.069 39.000 0.012 0.000 1.061 612 F HN -0.021 nan 8.300 nan 0.000 0.591 613 N N -0.743 118.039 118.700 0.137 0.000 2.436 613 N HA -0.075 4.668 4.740 0.004 0.000 0.178 613 N C 0.090 175.628 175.510 0.047 0.000 1.026 613 N CA 0.098 53.201 53.050 0.087 0.000 0.880 613 N CB 0.194 38.728 38.487 0.077 0.000 1.061 613 N HN -0.082 nan 8.380 nan 0.000 0.434 614 D N 2.421 122.841 120.400 0.034 0.000 2.363 614 D HA 0.012 4.655 4.640 0.004 0.000 0.263 614 D C -1.492 174.814 176.300 0.010 0.000 1.258 614 D CA -1.970 52.046 54.000 0.026 0.000 0.907 614 D CB 1.019 41.843 40.800 0.040 0.000 1.107 614 D HN 0.191 nan 8.370 nan 0.000 0.495 615 P HA -0.147 nan 4.420 nan 0.000 0.223 615 P C 0.412 177.715 177.300 0.005 0.000 1.144 615 P CA 0.901 64.006 63.100 0.009 0.000 0.783 615 P CB 0.235 31.946 31.700 0.018 0.000 0.771 616 N N -0.638 118.065 118.700 0.006 0.000 2.459 616 N HA 0.018 4.761 4.740 0.004 0.000 0.181 616 N C 1.754 177.262 175.510 -0.003 0.000 1.046 616 N CA 0.527 53.579 53.050 0.003 0.000 0.904 616 N CB -0.143 38.345 38.487 0.001 0.000 0.964 616 N HN 0.247 nan 8.380 nan 0.000 0.444 617 I N -0.594 119.970 120.570 -0.011 0.000 3.366 617 I HA 0.135 4.308 4.170 0.004 0.000 0.267 617 I C 1.912 177.983 176.117 -0.076 0.000 1.149 617 I CA 0.100 61.382 61.300 -0.030 0.000 1.436 617 I CB -0.079 37.913 38.000 -0.014 0.000 1.379 617 I HN -0.022 nan 8.210 nan 0.000 0.460 618 A N 0.219 122.975 122.820 -0.107 0.000 2.216 618 A HA 0.098 4.421 4.320 0.004 0.000 0.214 618 A C 0.967 178.507 177.584 -0.074 0.000 1.160 618 A CA 0.847 52.794 52.037 -0.151 0.000 0.725 618 A CB -0.274 18.626 19.000 -0.166 0.000 0.784 618 A HN 0.360 nan 8.150 nan 0.000 0.472 619 S N -2.277 113.407 115.700 -0.028 0.000 2.570 619 S HA 0.513 4.985 4.470 0.004 0.000 0.286 619 S C 0.519 175.142 174.600 0.038 0.000 1.099 619 S CA -0.751 57.455 58.200 0.010 0.000 0.913 619 S CB 1.936 65.150 63.200 0.024 0.000 1.085 619 S HN 0.313 nan 8.310 nan 0.000 0.480 620 R N 1.329 121.876 120.500 0.078 0.000 2.057 620 R HA 0.448 4.790 4.340 0.004 0.000 0.229 620 R C 0.311 176.663 176.300 0.086 0.000 1.136 620 R CA 1.318 57.478 56.100 0.100 0.000 0.952 620 R CB -0.096 30.302 30.300 0.163 0.000 0.848 620 R HN 0.856 nan 8.270 nan 0.000 0.430 621 A N -0.633 122.246 122.820 0.099 0.000 2.020 621 A HA 0.206 4.528 4.320 0.004 0.000 0.257 621 A C -1.595 176.049 177.584 0.099 0.000 0.898 621 A CA -0.971 51.113 52.037 0.077 0.000 0.676 621 A CB 0.393 19.429 19.000 0.060 0.000 0.812 621 A HN -0.061 nan 8.150 nan 0.000 0.333 622 K N 2.083 122.534 120.400 0.084 0.000 2.265 622 K HA 0.282 4.605 4.320 0.004 0.000 0.267 622 K C 0.811 177.450 176.600 0.065 0.000 0.994 622 K CA -0.514 55.830 56.287 0.096 0.000 0.860 622 K CB 1.877 34.431 32.500 0.089 0.000 1.099 622 K HN 0.797 nan 8.250 nan 0.000 0.448 623 K N 1.840 122.275 120.400 0.059 0.000 2.504 623 K HA -0.102 4.221 4.320 0.004 0.000 0.195 623 K C 0.888 177.512 176.600 0.040 0.000 1.036 623 K CA 1.277 57.585 56.287 0.035 0.000 0.984 623 K CB 0.093 32.602 32.500 0.016 0.000 0.788 623 K HN 0.873 nan 8.250 nan 0.000 0.488 624 G N 0.117 108.950 108.800 0.055 0.000 4.677 624 G HA2 -0.411 3.552 3.960 0.004 0.000 0.215 624 G HA3 -0.411 3.552 3.960 0.004 0.000 0.215 624 G C 1.150 176.085 174.900 0.058 0.000 1.506 624 G CA 0.322 45.452 45.100 0.050 0.000 1.016 624 G HN 0.423 nan 8.290 nan 0.000 0.653 625 A N 0.582 123.432 122.820 0.050 0.000 2.019 625 A HA 0.398 4.720 4.320 0.004 0.000 0.219 625 A C 1.091 178.722 177.584 0.078 0.000 1.164 625 A CA 2.642 54.710 52.037 0.052 0.000 0.644 625 A CB -0.322 18.700 19.000 0.037 0.000 0.805 625 A HN 1.410 nan 8.150 nan 0.000 0.449 626 N N -3.128 115.625 118.700 0.088 0.000 3.277 626 N HA 0.505 5.248 4.740 0.004 0.000 0.278 626 N C -0.883 174.735 175.510 0.180 0.000 1.544 626 N CA -0.611 52.528 53.050 0.149 0.000 0.869 626 N CB 0.554 39.071 38.487 0.050 0.000 1.584 626 N HN 0.143 nan 8.380 nan 0.000 0.564 627 F N -0.086 119.880 119.950 0.028 0.000 2.509 627 F HA 0.752 5.281 4.527 0.004 0.000 0.334 627 F C -0.455 175.365 175.800 0.034 0.000 1.060 627 F CA -1.071 56.947 58.000 0.029 0.000 0.997 627 F CB 0.182 39.199 39.000 0.029 0.000 1.271 627 F HN 0.162 nan 8.300 nan 0.000 0.488 628 I N 1.653 122.207 120.570 -0.027 0.000 2.395 628 I HA 0.261 4.433 4.170 0.004 0.000 0.289 628 I C 0.684 176.741 176.117 -0.099 0.000 1.023 628 I CA -0.183 61.049 61.300 -0.112 0.000 1.350 628 I CB 1.200 39.215 38.000 0.026 0.000 1.409 628 I HN 0.862 nan 8.210 nan 0.000 0.507 629 T N 2.731 117.162 114.554 -0.205 0.000 2.813 629 T HA 0.205 4.558 4.350 0.004 0.000 0.297 629 T C 1.380 176.151 174.700 0.118 0.000 1.036 629 T CA -0.716 61.364 62.100 -0.034 0.000 1.044 629 T CB 0.743 69.571 68.868 -0.067 0.000 0.993 629 T HN 0.260 nan 8.240 nan 0.000 0.535 630 V N 1.693 121.711 119.914 0.173 0.000 2.407 630 V HA -0.141 3.982 4.120 0.004 0.000 0.248 630 V C 3.053 179.327 176.094 0.301 0.000 1.055 630 V CA 2.289 64.723 62.300 0.225 0.000 1.049 630 V CB -1.652 30.311 31.823 0.234 0.000 0.662 630 V HN 1.084 nan 8.190 nan 0.000 0.455 631 A N -0.082 122.929 122.820 0.318 0.000 1.902 631 A HA -0.125 4.197 4.320 0.004 0.000 0.217 631 A C 2.427 180.176 177.584 0.275 0.000 1.181 631 A CA 2.149 54.432 52.037 0.409 0.000 0.623 631 A CB -0.764 18.436 19.000 0.335 0.000 0.818 631 A HN 0.567 nan 8.150 nan 0.000 0.443 632 A N -0.921 121.997 122.820 0.162 0.000 1.873 632 A HA -0.213 4.109 4.320 0.004 0.000 0.215 632 A C 2.232 179.893 177.584 0.128 0.000 1.186 632 A CA 1.762 53.863 52.037 0.107 0.000 0.616 632 A CB -0.666 18.354 19.000 0.032 0.000 0.823 632 A HN 0.635 nan 8.150 nan 0.000 0.442 633 Q N -1.587 118.303 119.800 0.149 0.000 2.077 633 Q HA -0.261 4.082 4.340 0.004 0.000 0.206 633 Q C 1.970 178.093 176.000 0.206 0.000 0.989 633 Q CA 2.271 58.167 55.803 0.155 0.000 0.853 633 Q CB -0.323 28.515 28.738 0.167 0.000 0.907 633 Q HN 0.811 nan 8.270 nan 0.000 0.418 634 Y N 0.918 121.291 120.300 0.122 0.000 2.114 634 Y HA -0.267 4.285 4.550 0.004 0.000 0.284 634 Y C 2.577 178.550 175.900 0.123 0.000 1.143 634 Y CA 1.968 60.142 58.100 0.124 0.000 1.135 634 Y CB -0.034 38.494 38.460 0.114 0.000 0.980 634 Y HN 0.078 nan 8.280 nan 0.000 0.499 635 K N 0.546 121.014 120.400 0.114 0.000 2.089 635 K HA -0.322 4.001 4.320 0.004 0.000 0.210 635 K C 2.114 178.692 176.600 -0.036 0.000 1.048 635 K CA 2.190 58.510 56.287 0.054 0.000 0.926 635 K CB -0.294 32.287 32.500 0.134 0.000 0.714 635 K HN 0.502 nan 8.250 nan 0.000 0.448 636 E N 0.025 120.225 120.200 0.000 0.000 2.152 636 E HA -0.177 4.175 4.350 0.004 0.000 0.192 636 E C 1.968 178.542 176.600 -0.044 0.000 0.983 636 E CA 0.849 57.242 56.400 -0.012 0.000 0.818 636 E CB 0.143 29.854 29.700 0.018 0.000 0.758 636 E HN 0.442 nan 8.360 nan 0.000 0.467 637 Q N 0.149 119.926 119.800 -0.038 0.000 2.167 637 Q HA -0.150 4.193 4.340 0.004 0.000 0.202 637 Q C 2.282 178.227 176.000 -0.092 0.000 0.970 637 Q CA 0.935 56.742 55.803 0.007 0.000 0.855 637 Q CB -0.030 28.801 28.738 0.155 0.000 0.911 637 Q HN 0.248 nan 8.270 nan 0.000 0.438 638 L N 0.338 121.359 121.223 -0.337 0.000 2.109 638 L HA -0.000 4.342 4.340 0.004 0.000 0.207 638 L C 2.083 178.764 176.870 -0.315 0.000 1.086 638 L CA 1.964 56.522 54.840 -0.470 0.000 0.760 638 L CB -0.828 40.792 42.059 -0.731 0.000 0.910 638 L HN 0.057 nan 8.230 nan 0.000 0.437 639 A N -1.002 121.690 122.820 -0.213 0.000 1.902 639 A HA -0.229 4.093 4.320 0.004 0.000 0.217 639 A C 2.544 180.056 177.584 -0.119 0.000 1.181 639 A CA 1.961 53.917 52.037 -0.135 0.000 0.623 639 A CB -1.223 17.735 19.000 -0.069 0.000 0.818 639 A HN 0.583 nan 8.150 nan 0.000 0.443 640 S N -0.915 114.724 115.700 -0.102 0.000 2.382 640 S HA -0.134 4.339 4.470 0.004 0.000 0.228 640 S C 1.915 176.432 174.600 -0.138 0.000 1.027 640 S CA 1.500 59.651 58.200 -0.083 0.000 0.991 640 S CB -0.438 62.733 63.200 -0.047 0.000 0.823 640 S HN 0.477 nan 8.310 nan 0.000 0.469 641 L N 1.383 122.481 121.223 -0.208 0.000 2.023 641 L HA 0.107 4.449 4.340 0.004 0.000 0.205 641 L C 2.293 178.945 176.870 -0.364 0.000 1.073 641 L CA 1.833 56.455 54.840 -0.363 0.000 0.745 641 L CB -0.648 41.143 42.059 -0.447 0.000 0.900 641 L HN 0.256 nan 8.230 nan 0.000 0.435 642 M N -0.339 119.066 119.600 -0.325 0.000 2.267 642 M HA -0.128 4.354 4.480 0.004 0.000 0.263 642 M C 2.354 178.536 176.300 -0.196 0.000 1.063 642 M CA 1.565 56.676 55.300 -0.315 0.000 1.090 642 M CB -1.876 30.573 32.600 -0.252 0.000 1.392 642 M HN 0.466 nan 8.290 nan 0.000 0.422 643 A N -0.150 122.591 122.820 -0.131 0.000 1.858 643 A HA -0.136 4.187 4.320 0.004 0.000 0.216 643 A C 2.376 179.953 177.584 -0.011 0.000 1.190 643 A CA 2.295 54.304 52.037 -0.047 0.000 0.617 643 A CB -1.125 17.856 19.000 -0.032 0.000 0.827 643 A HN 0.443 nan 8.150 nan 0.000 0.443 644 T N 0.543 115.077 114.554 -0.033 0.000 2.746 644 T HA -0.066 4.286 4.350 0.004 0.000 0.267 644 T C 1.768 176.546 174.700 0.131 0.000 1.039 644 T CA 1.383 63.535 62.100 0.086 0.000 1.142 644 T CB -0.400 68.501 68.868 0.055 0.000 0.866 644 T HN 0.334 nan 8.240 nan 0.000 0.444 645 L N 0.750 121.941 121.223 -0.053 0.000 2.261 645 L HA -0.075 4.267 4.340 0.004 0.000 0.216 645 L C 2.147 179.046 176.870 0.049 0.000 1.114 645 L CA 1.269 56.052 54.840 -0.095 0.000 0.777 645 L CB -0.483 41.261 42.059 -0.525 0.000 0.910 645 L HN 0.381 nan 8.230 nan 0.000 0.440 646 E N -0.946 119.305 120.200 0.085 0.000 2.476 646 E HA -0.044 4.309 4.350 0.004 0.000 0.191 646 E C 1.065 177.788 176.600 0.204 0.000 1.064 646 E CA 0.590 57.157 56.400 0.278 0.000 0.866 646 E CB 0.200 30.042 29.700 0.236 0.000 0.952 646 E HN 0.414 nan 8.360 nan 0.000 0.492 647 T N -1.743 112.912 114.554 0.168 0.000 3.266 647 T HA 0.107 4.460 4.350 0.004 0.000 0.278 647 T C 0.275 175.028 174.700 0.087 0.000 1.010 647 T CA -0.390 61.789 62.100 0.131 0.000 0.909 647 T CB 0.222 69.179 68.868 0.149 0.000 1.122 647 T HN 0.045 nan 8.240 nan 0.000 0.536 648 T N -0.859 113.763 114.554 0.113 0.000 2.883 648 T HA 0.589 4.941 4.350 0.004 0.000 0.301 648 T C -1.185 173.543 174.700 0.047 0.000 1.158 648 T CA -0.930 61.198 62.100 0.047 0.000 1.007 648 T CB 1.766 70.677 68.868 0.072 0.000 1.186 648 T HN 0.084 nan 8.240 nan 0.000 0.499 649 N N 2.708 121.402 118.700 -0.010 0.000 2.434 649 N HA 0.515 5.257 4.740 0.004 0.000 0.272 649 N C -2.590 172.800 175.510 -0.199 0.000 1.040 649 N CA -1.764 51.236 53.050 -0.084 0.000 0.956 649 N CB 1.190 39.662 38.487 -0.024 0.000 1.108 649 N HN 0.472 nan 8.380 nan 0.000 0.481 650 P HA 0.318 nan 4.420 nan 0.000 0.290 650 P C -1.372 175.425 177.300 -0.838 0.000 1.283 650 P CA -0.342 62.443 63.100 -0.525 0.000 0.869 650 P CB 1.571 33.008 31.700 -0.439 0.000 1.100 651 H N 1.446 120.289 119.070 -0.378 0.000 2.689 651 H HA 0.363 4.921 4.556 0.004 0.000 0.346 651 H C -0.821 174.320 175.328 -0.311 0.000 1.037 651 H CA -0.237 55.723 56.048 -0.146 0.000 1.234 651 H CB 0.933 30.691 29.762 -0.007 0.000 1.572 651 H HN 0.289 nan 8.280 nan 0.000 0.524 652 F N 1.826 121.971 119.950 0.324 0.000 2.427 652 F HA 0.355 4.885 4.527 0.005 0.000 0.346 652 F C 0.335 176.365 175.800 0.382 0.000 1.120 652 F CA -0.851 57.373 58.000 0.373 0.000 1.033 652 F CB 1.492 40.784 39.000 0.485 0.000 1.126 652 F HN 0.105 nan 8.300 nan 0.000 0.462 653 V N 4.350 124.494 119.914 0.384 0.000 2.495 653 V HA 0.581 4.704 4.120 0.004 0.000 0.298 653 V C -0.256 175.935 176.094 0.161 0.000 1.031 653 V CA -0.938 61.519 62.300 0.263 0.000 0.871 653 V CB 1.743 33.665 31.823 0.165 0.000 0.988 653 V HN 0.526 nan 8.190 nan 0.000 0.432 654 R N 2.434 122.975 120.500 0.069 0.000 2.337 654 R HA 0.463 4.806 4.340 0.004 0.000 0.319 654 R C -1.003 175.265 176.300 -0.052 0.000 0.954 654 R CA -0.372 55.686 56.100 -0.070 0.000 0.840 654 R CB 1.267 31.396 30.300 -0.285 0.000 1.164 654 R HN 0.705 nan 8.270 nan 0.000 0.472 655 C N 4.296 123.569 119.300 -0.046 0.000 2.452 655 C HA 0.554 5.016 4.460 0.004 0.000 0.379 655 C C 0.471 175.417 174.990 -0.074 0.000 1.275 655 C CA -0.490 58.493 59.018 -0.058 0.000 2.056 655 C CB -0.269 27.441 27.740 -0.050 0.000 2.506 655 C HN 0.559 nan 8.230 nan 0.000 0.560 656 I N 3.159 123.675 120.570 -0.089 0.000 2.608 656 I HA 0.471 4.643 4.170 0.004 0.000 0.295 656 I C -0.115 175.948 176.117 -0.091 0.000 1.049 656 I CA -0.442 60.807 61.300 -0.084 0.000 1.063 656 I CB 1.383 39.326 38.000 -0.094 0.000 1.248 656 I HN 0.551 nan 8.210 nan 0.000 0.424 657 I N 7.658 128.199 120.570 -0.049 0.000 2.331 657 I HA 0.337 4.509 4.170 0.004 0.000 0.292 657 I C -1.228 174.891 176.117 0.004 0.000 0.998 657 I CA -2.069 59.229 61.300 -0.003 0.000 1.267 657 I CB 2.090 40.132 38.000 0.070 0.000 1.386 657 I HN 0.497 nan 8.210 nan 0.000 0.476 658 P HA -0.113 nan 4.420 nan 0.000 0.220 658 P C -0.779 176.534 177.300 0.021 0.000 1.148 658 P CA 1.294 64.365 63.100 -0.049 0.000 0.803 658 P CB -0.055 31.627 31.700 -0.031 0.000 0.782 659 N N -2.785 115.971 118.700 0.094 0.000 3.387 659 N HA 0.119 4.862 4.740 0.004 0.000 0.294 659 N C -0.491 175.042 175.510 0.038 0.000 1.519 659 N CA -0.786 52.288 53.050 0.040 0.000 0.875 659 N CB -0.608 37.891 38.487 0.020 0.000 1.657 659 N HN -0.386 nan 8.380 nan 0.000 0.527 660 N N -0.873 117.821 118.700 -0.010 0.000 2.273 660 N HA 0.205 4.947 4.740 0.004 0.000 0.231 660 N C -0.644 174.821 175.510 -0.074 0.000 1.134 660 N CA 0.084 53.119 53.050 -0.024 0.000 0.856 660 N CB 0.403 38.877 38.487 -0.022 0.000 1.068 660 N HN 0.496 nan 8.380 nan 0.000 0.510 661 K N 0.348 120.674 120.400 -0.124 0.000 2.506 661 K HA 0.179 4.501 4.320 0.004 0.000 0.204 661 K C -0.186 176.207 176.600 -0.344 0.000 1.045 661 K CA -0.148 56.033 56.287 -0.176 0.000 1.074 661 K CB 0.729 33.156 32.500 -0.122 0.000 0.842 661 K HN -0.010 nan 8.250 nan 0.000 0.514 662 Q N 1.007 120.438 119.800 -0.614 0.000 2.411 662 Q HA -0.206 4.136 4.340 0.004 0.000 0.305 662 Q C -0.723 174.632 176.000 -1.075 0.000 1.273 662 Q CA 0.625 55.573 55.803 -1.425 0.000 0.895 662 Q CB -1.516 26.752 28.738 -0.782 0.000 1.198 662 Q HN 0.400 nan 8.270 nan 0.000 0.470 663 L N 0.282 121.129 121.223 -0.627 0.000 2.330 663 L HA 0.638 4.981 4.340 0.004 0.000 0.271 663 L C -1.867 175.014 176.870 0.018 0.000 1.013 663 L CA -2.241 52.464 54.840 -0.225 0.000 0.816 663 L CB 1.372 43.360 42.059 -0.117 0.000 1.287 663 L HN -0.074 nan 8.230 nan 0.000 0.435 664 P HA 0.188 nan 4.420 nan 0.000 0.279 664 P C -0.233 177.150 177.300 0.139 0.000 1.276 664 P CA -0.202 62.999 63.100 0.169 0.000 0.801 664 P CB 1.146 32.906 31.700 0.101 0.000 1.127 665 A N -0.304 122.607 122.820 0.153 0.000 2.771 665 A HA -0.216 4.107 4.320 0.004 0.000 0.294 665 A C 0.342 178.036 177.584 0.182 0.000 1.500 665 A CA 1.358 53.485 52.037 0.150 0.000 0.829 665 A CB -2.588 16.446 19.000 0.057 0.000 0.998 665 A HN 0.593 nan 8.150 nan 0.000 0.526 666 K N -0.814 119.722 120.400 0.227 0.000 3.029 666 K HA 0.386 4.709 4.320 0.004 0.000 0.169 666 K C -0.644 176.017 176.600 0.102 0.000 1.090 666 K CA -0.597 55.771 56.287 0.135 0.000 0.883 666 K CB 0.581 33.126 32.500 0.075 0.000 1.080 666 K HN 0.394 nan 8.250 nan 0.000 0.613 667 L N 2.150 123.419 121.223 0.077 0.000 2.360 667 L HA 0.123 4.466 4.340 0.004 0.000 0.276 667 L C -0.409 176.516 176.870 0.093 0.000 1.121 667 L CA 0.702 55.509 54.840 -0.055 0.000 0.845 667 L CB 0.383 42.313 42.059 -0.216 0.000 1.143 667 L HN 0.298 nan 8.230 nan 0.000 0.452 668 E N 2.977 123.210 120.200 0.055 0.000 2.165 668 E HA 0.134 4.487 4.350 0.004 0.000 0.266 668 E C 0.011 176.527 176.600 -0.140 0.000 0.889 668 E CA -0.413 55.987 56.400 0.000 0.000 0.756 668 E CB 1.290 30.971 29.700 -0.030 0.000 1.131 668 E HN 0.732 nan 8.360 nan 0.000 0.411 669 D N 3.900 124.063 120.400 -0.394 0.000 2.154 669 D HA -0.303 4.340 4.640 0.004 0.000 0.190 669 D C 1.157 177.180 176.300 -0.462 0.000 1.003 669 D CA 1.631 55.102 54.000 -0.883 0.000 0.849 669 D CB 0.001 40.311 40.800 -0.817 0.000 0.942 669 D HN 0.266 nan 8.370 nan 0.000 0.446 670 K N 0.192 120.426 120.400 -0.276 0.000 1.991 670 K HA -0.101 4.222 4.320 0.004 0.000 0.212 670 K C 2.412 178.926 176.600 -0.144 0.000 1.049 670 K CA 1.512 57.687 56.287 -0.186 0.000 0.932 670 K CB -0.409 32.010 32.500 -0.135 0.000 0.717 670 K HN 0.086 nan 8.250 nan 0.000 0.441 671 V N 1.122 120.967 119.914 -0.115 0.000 2.255 671 V HA -0.250 3.873 4.120 0.004 0.000 0.247 671 V C 2.346 178.398 176.094 -0.069 0.000 1.051 671 V CA 1.702 63.959 62.300 -0.073 0.000 1.018 671 V CB -0.472 31.323 31.823 -0.046 0.000 0.641 671 V HN 0.108 nan 8.190 nan 0.000 0.445 672 V N -0.274 119.595 119.914 -0.075 0.000 2.237 672 V HA -0.272 3.850 4.120 0.004 0.000 0.245 672 V C 2.368 178.430 176.094 -0.053 0.000 1.046 672 V CA 2.186 64.462 62.300 -0.039 0.000 1.007 672 V CB -0.649 31.209 31.823 0.058 0.000 0.638 672 V HN 0.422 nan 8.190 nan 0.000 0.445 673 L N 0.219 121.379 121.223 -0.105 0.000 2.021 673 L HA -0.319 4.024 4.340 0.004 0.000 0.215 673 L C 2.426 179.254 176.870 -0.070 0.000 1.074 673 L CA 2.402 57.188 54.840 -0.090 0.000 0.760 673 L CB -0.825 41.150 42.059 -0.140 0.000 0.889 673 L HN 0.499 nan 8.230 nan 0.000 0.433 674 D N -0.608 119.746 120.400 -0.078 0.000 2.106 674 D HA -0.259 4.383 4.640 0.004 0.000 0.191 674 D C 2.206 178.475 176.300 -0.051 0.000 0.997 674 D CA 1.729 55.691 54.000 -0.064 0.000 0.834 674 D CB 0.023 40.787 40.800 -0.061 0.000 0.956 674 D HN 0.341 nan 8.370 nan 0.000 0.448 675 Q N -0.380 119.393 119.800 -0.045 0.000 2.061 675 Q HA -0.127 4.215 4.340 0.004 0.000 0.204 675 Q C 2.588 178.558 176.000 -0.050 0.000 0.984 675 Q CA 1.058 56.838 55.803 -0.038 0.000 0.846 675 Q CB -0.196 28.518 28.738 -0.040 0.000 0.902 675 Q HN 0.422 nan 8.270 nan 0.000 0.421 676 L N 0.255 121.446 121.223 -0.054 0.000 2.127 676 L HA -0.189 4.154 4.340 0.004 0.000 0.211 676 L C 2.589 179.429 176.870 -0.050 0.000 1.089 676 L CA 1.063 55.865 54.840 -0.062 0.000 0.757 676 L CB -0.341 41.695 42.059 -0.037 0.000 0.899 676 L HN 0.196 nan 8.230 nan 0.000 0.434 677 R N -0.957 119.516 120.500 -0.045 0.000 2.193 677 R HA -0.086 4.256 4.340 0.004 0.000 0.213 677 R C 1.989 178.262 176.300 -0.046 0.000 1.055 677 R CA 1.117 57.188 56.100 -0.048 0.000 0.995 677 R CB 0.005 30.268 30.300 -0.061 0.000 0.893 677 R HN 0.391 nan 8.270 nan 0.000 0.459 678 C N 0.596 119.883 119.300 -0.021 0.000 2.689 678 C HA 0.128 4.590 4.460 0.004 0.000 0.336 678 C C 1.531 176.613 174.990 0.153 0.000 1.304 678 C CA -0.143 58.892 59.018 0.029 0.000 1.860 678 C CB -0.288 27.457 27.740 0.007 0.000 2.405 678 C HN 0.632 nan 8.230 nan 0.000 0.557 679 N N 1.370 120.096 118.700 0.044 0.000 2.515 679 N HA 0.180 4.923 4.740 0.004 0.000 0.191 679 N C 1.147 176.570 175.510 -0.144 0.000 1.182 679 N CA 0.969 53.998 53.050 -0.035 0.000 0.879 679 N CB -0.622 37.770 38.487 -0.158 0.000 0.984 679 N HN 0.569 nan 8.380 nan 0.000 0.453 680 G N -1.307 107.520 108.800 0.043 0.000 2.159 680 G HA2 -0.298 3.665 3.960 0.004 0.000 0.256 680 G HA3 -0.298 3.665 3.960 0.004 0.000 0.256 680 G C 0.644 175.550 174.900 0.011 0.000 0.977 680 G CA 0.339 45.487 45.100 0.080 0.000 0.652 680 G HN 0.275 nan 8.290 nan 0.000 0.531 681 V N 0.520 120.345 119.914 -0.148 0.000 2.379 681 V HA 0.081 4.204 4.120 0.004 0.000 0.243 681 V C 2.815 178.945 176.094 0.060 0.000 1.035 681 V CA 1.997 64.257 62.300 -0.065 0.000 1.035 681 V CB -0.334 31.369 31.823 -0.201 0.000 0.673 681 V HN 0.422 nan 8.190 nan 0.000 0.457 682 L N -0.118 121.117 121.223 0.020 0.000 2.093 682 L HA -0.155 4.188 4.340 0.004 0.000 0.208 682 L C 2.625 179.520 176.870 0.042 0.000 1.085 682 L CA 1.619 56.475 54.840 0.026 0.000 0.755 682 L CB -0.475 41.583 42.059 -0.002 0.000 0.904 682 L HN 0.448 nan 8.230 nan 0.000 0.435 683 E N 0.511 120.746 120.200 0.057 0.000 2.023 683 E HA -0.221 4.131 4.350 0.004 0.000 0.196 683 E C 2.102 178.731 176.600 0.048 0.000 1.003 683 E CA 1.485 57.916 56.400 0.052 0.000 0.809 683 E CB -0.241 29.534 29.700 0.125 0.000 0.755 683 E HN 0.452 nan 8.360 nan 0.000 0.449 684 G N 1.655 110.525 108.800 0.117 0.000 2.547 684 G HA2 -0.284 3.679 3.960 0.004 0.000 0.221 684 G HA3 -0.284 3.679 3.960 0.004 0.000 0.221 684 G C 1.660 176.605 174.900 0.075 0.000 1.140 684 G CA 1.254 46.423 45.100 0.115 0.000 0.760 684 G HN 0.325 nan 8.290 nan 0.000 0.583 685 I N -0.357 120.271 120.570 0.096 0.000 2.493 685 I HA -0.074 4.098 4.170 0.004 0.000 0.254 685 I C 2.882 179.039 176.117 0.067 0.000 1.160 685 I CA 0.686 62.037 61.300 0.085 0.000 1.445 685 I CB -0.185 37.863 38.000 0.081 0.000 1.086 685 I HN 0.112 nan 8.210 nan 0.000 0.433 686 R N 0.924 121.452 120.500 0.046 0.000 2.075 686 R HA -0.085 4.257 4.340 0.004 0.000 0.232 686 R C 2.304 178.638 176.300 0.056 0.000 1.126 686 R CA 1.333 57.461 56.100 0.045 0.000 0.963 686 R CB -0.034 30.281 30.300 0.025 0.000 0.858 686 R HN 0.305 nan 8.270 nan 0.000 0.435 687 I N -0.520 120.051 120.570 0.001 0.000 2.233 687 I HA -0.206 3.966 4.170 0.004 0.000 0.243 687 I C 2.022 178.163 176.117 0.040 0.000 1.093 687 I CA 1.202 62.478 61.300 -0.040 0.000 1.380 687 I CB -0.324 37.516 38.000 -0.267 0.000 1.067 687 I HN 0.146 nan 8.210 nan 0.000 0.413 688 T N 0.420 115.005 114.554 0.051 0.000 2.803 688 T HA -0.225 4.128 4.350 0.004 0.000 0.269 688 T C 1.969 176.813 174.700 0.240 0.000 1.052 688 T CA 1.226 63.429 62.100 0.172 0.000 1.136 688 T CB -0.331 68.612 68.868 0.126 0.000 0.864 688 T HN 0.292 nan 8.240 nan 0.000 0.467 689 R N 0.849 121.449 120.500 0.167 0.000 2.237 689 R HA 0.004 4.346 4.340 0.004 0.000 0.219 689 R C 2.057 178.443 176.300 0.142 0.000 1.080 689 R CA 0.997 57.176 56.100 0.133 0.000 0.995 689 R CB 0.028 30.387 30.300 0.100 0.000 0.875 689 R HN 0.322 nan 8.270 nan 0.000 0.462 690 K N -0.547 120.017 120.400 0.275 0.000 2.062 690 K HA -0.014 4.308 4.320 0.004 0.000 0.205 690 K C 1.567 178.218 176.600 0.085 0.000 1.051 690 K CA 1.260 57.739 56.287 0.320 0.000 0.941 690 K CB -0.044 32.830 32.500 0.623 0.000 0.719 690 K HN 0.279 nan 8.250 nan 0.000 0.440 691 G N 0.490 109.340 108.800 0.083 0.000 3.287 691 G HA2 0.122 4.085 3.960 0.004 0.000 0.172 691 G HA3 0.122 4.085 3.960 0.004 0.000 0.172 691 G C -0.432 173.803 174.900 -1.109 0.000 1.922 691 G CA -0.279 44.259 45.100 -0.937 0.000 0.952 691 G HN 0.102 nan 8.290 nan 0.000 0.520 692 F N 1.348 121.215 119.950 -0.138 0.000 2.453 692 F HA 0.401 4.931 4.527 0.005 0.000 0.358 692 F C -1.755 174.145 175.800 0.165 0.000 1.129 692 F CA -1.760 56.279 58.000 0.066 0.000 1.200 692 F CB 2.203 41.331 39.000 0.213 0.000 1.431 692 F HN 0.111 nan 8.300 nan 0.000 0.503 693 P HA -0.157 nan 4.420 nan 0.000 0.213 693 P C -0.477 176.871 177.300 0.081 0.000 1.170 693 P CA 1.481 64.666 63.100 0.141 0.000 0.902 693 P CB 0.166 31.933 31.700 0.112 0.000 0.789 694 N N 0.775 119.543 118.700 0.114 0.000 2.430 694 N HA 0.193 4.936 4.740 0.004 0.000 0.265 694 N C -0.180 175.310 175.510 -0.034 0.000 1.100 694 N CA -0.380 52.731 53.050 0.102 0.000 0.961 694 N CB 0.330 38.947 38.487 0.217 0.000 1.075 694 N HN 0.129 nan 8.380 nan 0.000 0.478 695 R N 2.099 122.471 120.500 -0.214 0.000 2.468 695 R HA 0.456 4.799 4.340 0.004 0.000 0.302 695 R C -1.499 174.637 176.300 -0.273 0.000 1.041 695 R CA -0.741 55.049 56.100 -0.517 0.000 0.899 695 R CB 0.423 30.050 30.300 -1.122 0.000 1.167 695 R HN 0.290 nan 8.270 nan 0.000 0.483 696 I N 3.100 123.566 120.570 -0.174 0.000 2.460 696 I HA 0.274 4.446 4.170 0.004 0.000 0.298 696 I C 0.624 176.640 176.117 -0.169 0.000 0.989 696 I CA -1.271 59.991 61.300 -0.062 0.000 1.173 696 I CB 1.323 39.424 38.000 0.168 0.000 1.338 696 I HN 0.503 nan 8.210 nan 0.000 0.456 697 I N 5.515 126.029 120.570 -0.094 0.000 2.710 697 I HA -0.108 4.065 4.170 0.004 0.000 0.286 697 I C 1.160 177.256 176.117 -0.035 0.000 1.181 697 I CA 0.641 61.877 61.300 -0.107 0.000 1.430 697 I CB 0.024 38.019 38.000 -0.010 0.000 1.367 697 I HN 0.649 nan 8.210 nan 0.000 0.577 698 Y N 4.979 125.321 120.300 0.070 0.000 2.053 698 Y HA -0.309 4.243 4.550 0.004 0.000 0.277 698 Y C 2.436 178.436 175.900 0.167 0.000 1.159 698 Y CA 1.943 60.109 58.100 0.111 0.000 1.125 698 Y CB -0.368 38.148 38.460 0.093 0.000 0.969 698 Y HN 0.725 nan 8.280 nan 0.000 0.492 699 A N -0.049 122.937 122.820 0.277 0.000 2.024 699 A HA -0.233 4.090 4.320 0.004 0.000 0.220 699 A C 1.705 179.375 177.584 0.143 0.000 1.164 699 A CA 2.143 54.287 52.037 0.179 0.000 0.643 699 A CB -0.655 18.413 19.000 0.114 0.000 0.806 699 A HN 0.425 nan 8.150 nan 0.000 0.451 700 D N -1.600 118.883 120.400 0.139 0.000 2.183 700 D HA -0.057 4.586 4.640 0.004 0.000 0.203 700 D C 1.505 177.880 176.300 0.125 0.000 0.969 700 D CA 0.798 54.854 54.000 0.093 0.000 0.842 700 D CB -0.296 40.546 40.800 0.070 0.000 0.957 700 D HN 0.481 nan 8.370 nan 0.000 0.484 701 F N 0.993 120.997 119.950 0.090 0.000 2.113 701 F HA -0.157 4.372 4.527 0.004 0.000 0.297 701 F C 2.126 178.021 175.800 0.159 0.000 1.103 701 F CA 0.948 59.049 58.000 0.169 0.000 1.248 701 F CB -0.278 38.877 39.000 0.258 0.000 0.999 701 F HN -0.223 nan 8.300 nan 0.000 0.475 702 V N 0.887 120.943 119.914 0.236 0.000 2.343 702 V HA -0.281 3.842 4.120 0.004 0.000 0.247 702 V C 2.544 178.697 176.094 0.098 0.000 1.051 702 V CA 1.967 64.362 62.300 0.158 0.000 1.036 702 V CB -0.752 31.193 31.823 0.205 0.000 0.654 702 V HN 0.259 nan 8.190 nan 0.000 0.451 703 K N 0.004 120.425 120.400 0.036 0.000 2.281 703 K HA -0.205 4.117 4.320 0.004 0.000 0.203 703 K C 2.233 178.833 176.600 0.002 0.000 1.046 703 K CA 1.593 57.879 56.287 -0.002 0.000 0.938 703 K CB -0.017 32.459 32.500 -0.042 0.000 0.737 703 K HN 0.421 nan 8.250 nan 0.000 0.458 704 R N -1.365 119.012 120.500 -0.206 0.000 2.257 704 R HA 0.022 4.365 4.340 0.004 0.000 0.195 704 R C 0.575 176.477 176.300 -0.664 0.000 0.921 704 R CA 0.194 55.993 56.100 -0.501 0.000 1.069 704 R CB 0.454 30.230 30.300 -0.872 0.000 1.115 704 R HN 0.037 nan 8.270 nan 0.000 0.571 705 Y N 0.303 120.427 120.300 -0.294 0.000 2.681 705 Y HA 0.106 4.659 4.550 0.005 0.000 0.267 705 Y C 0.853 176.606 175.900 -0.246 0.000 1.166 705 Y CA -1.211 56.666 58.100 -0.372 0.000 1.209 705 Y CB -0.323 37.748 38.460 -0.648 0.000 1.161 705 Y HN 0.163 nan 8.280 nan 0.000 0.534 706 Y N -1.585 118.694 120.300 -0.035 0.000 2.181 706 Y HA -0.160 4.392 4.550 0.004 0.000 0.288 706 Y C 1.563 177.482 175.900 0.032 0.000 1.146 706 Y CA 1.111 59.220 58.100 0.014 0.000 1.164 706 Y CB -1.042 37.425 38.460 0.011 0.000 0.982 706 Y HN 0.065 nan 8.280 nan 0.000 0.515 707 L N 0.550 121.296 121.223 -0.796 0.000 2.551 707 L HA -0.183 4.160 4.340 0.004 0.000 0.230 707 L C 2.076 178.844 176.870 -0.171 0.000 1.163 707 L CA 0.852 55.424 54.840 -0.447 0.000 0.826 707 L CB -0.434 41.314 42.059 -0.518 0.000 0.943 707 L HN 0.449 nan 8.230 nan 0.000 0.452 708 L N -0.658 120.508 121.223 -0.096 0.000 2.270 708 L HA 0.094 4.436 4.340 0.004 0.000 0.210 708 L C 1.153 178.016 176.870 -0.012 0.000 1.104 708 L CA -0.040 54.797 54.840 -0.006 0.000 0.804 708 L CB -0.145 41.940 42.059 0.042 0.000 0.937 708 L HN 0.163 nan 8.230 nan 0.000 0.450 709 A N 1.024 123.819 122.820 -0.042 0.000 2.303 709 A HA 0.542 4.865 4.320 0.004 0.000 0.320 709 A C -2.333 175.149 177.584 -0.170 0.000 1.192 709 A CA -1.605 50.335 52.037 -0.163 0.000 0.821 709 A CB 0.224 19.235 19.000 0.018 0.000 1.188 709 A HN -0.126 nan 8.150 nan 0.000 0.492 710 P HA -0.046 nan 4.420 nan 0.000 0.262 710 P C -0.420 176.851 177.300 -0.048 0.000 1.182 710 P CA 0.435 63.442 63.100 -0.155 0.000 0.761 710 P CB 0.292 31.882 31.700 -0.182 0.000 0.795 711 N N -0.753 117.945 118.700 -0.002 0.000 2.741 711 N HA -0.123 4.619 4.740 0.004 0.000 0.250 711 N C -0.474 175.062 175.510 0.043 0.000 1.115 711 N CA 0.659 53.724 53.050 0.024 0.000 0.724 711 N CB -1.984 36.510 38.487 0.012 0.000 1.090 711 N HN 0.253 nan 8.380 nan 0.000 0.558 712 V N 2.024 121.984 119.914 0.077 0.000 2.394 712 V HA 0.388 4.511 4.120 0.004 0.000 0.282 712 V C -1.484 174.679 176.094 0.115 0.000 1.031 712 V CA -1.197 61.161 62.300 0.096 0.000 0.881 712 V CB 1.838 33.738 31.823 0.129 0.000 0.982 712 V HN 0.005 nan 8.190 nan 0.000 0.451 713 P HA 0.258 nan 4.420 nan 0.000 0.277 713 P C 0.520 177.633 177.300 -0.311 0.000 1.240 713 P CA -0.555 62.471 63.100 -0.123 0.000 0.798 713 P CB 1.330 32.980 31.700 -0.085 0.000 0.979 714 R N 0.564 120.641 120.500 -0.706 0.000 2.139 714 R HA -0.090 4.253 4.340 0.004 0.000 0.243 714 R C 0.502 176.625 176.300 -0.296 0.000 1.145 714 R CA 1.511 57.117 56.100 -0.824 0.000 0.976 714 R CB 0.086 29.936 30.300 -0.749 0.000 0.866 714 R HN 0.608 nan 8.270 nan 0.000 0.449 715 D N -1.705 118.577 120.400 -0.197 0.000 2.560 715 D HA 0.554 5.197 4.640 0.004 0.000 0.277 715 D C -0.719 175.552 176.300 -0.048 0.000 1.194 715 D CA -0.274 53.671 54.000 -0.091 0.000 1.092 715 D CB 0.987 41.743 40.800 -0.074 0.000 1.169 715 D HN 0.146 nan 8.370 nan 0.000 0.607 716 A N -0.097 122.711 122.820 -0.020 0.000 2.015 716 A HA 0.076 4.398 4.320 0.004 0.000 0.261 716 A C 0.299 177.887 177.584 0.007 0.000 0.944 716 A CA -0.398 51.639 52.037 -0.000 0.000 0.744 716 A CB -0.200 18.814 19.000 0.023 0.000 0.796 716 A HN 0.547 nan 8.150 nan 0.000 0.335 717 E N 1.071 121.272 120.200 0.002 0.000 2.153 717 E HA -0.159 4.193 4.350 0.004 0.000 0.194 717 E C 0.194 176.799 176.600 0.009 0.000 0.988 717 E CA 1.217 57.619 56.400 0.004 0.000 0.811 717 E CB 0.197 29.896 29.700 -0.001 0.000 0.746 717 E HN 0.576 nan 8.360 nan 0.000 0.466 718 D N -0.131 120.273 120.400 0.007 0.000 2.485 718 D HA 0.102 4.745 4.640 0.004 0.000 0.229 718 D C 0.063 176.371 176.300 0.013 0.000 1.101 718 D CA -0.091 53.908 54.000 -0.001 0.000 0.906 718 D CB 1.220 42.011 40.800 -0.016 0.000 1.019 718 D HN -0.019 nan 8.370 nan 0.000 0.516 719 S N 2.448 118.167 115.700 0.032 0.000 2.399 719 S HA -0.174 4.298 4.470 0.004 0.000 0.231 719 S C 1.832 176.452 174.600 0.034 0.000 1.022 719 S CA 0.973 59.225 58.200 0.086 0.000 0.983 719 S CB 0.176 63.476 63.200 0.167 0.000 0.803 719 S HN 0.591 nan 8.310 nan 0.000 0.480 720 Q N 1.067 120.769 119.800 -0.164 0.000 2.046 720 Q HA -0.088 4.254 4.340 0.004 0.000 0.200 720 Q C 2.146 178.111 176.000 -0.058 0.000 0.975 720 Q CA 1.061 56.671 55.803 -0.322 0.000 0.836 720 Q CB -0.243 28.204 28.738 -0.485 0.000 0.896 720 Q HN 0.522 nan 8.270 nan 0.000 0.428 721 K N 0.715 121.085 120.400 -0.050 0.000 2.063 721 K HA -0.146 4.177 4.320 0.004 0.000 0.208 721 K C 2.174 178.816 176.600 0.069 0.000 1.048 721 K CA 1.256 57.538 56.287 -0.009 0.000 0.928 721 K CB -0.264 32.228 32.500 -0.013 0.000 0.713 721 K HN 0.137 nan 8.250 nan 0.000 0.442 722 A N 1.167 124.044 122.820 0.095 0.000 1.877 722 A HA -0.180 4.142 4.320 0.004 0.000 0.216 722 A C 2.320 180.053 177.584 0.249 0.000 1.186 722 A CA 2.129 54.258 52.037 0.153 0.000 0.620 722 A CB -1.089 18.002 19.000 0.152 0.000 0.822 722 A HN 0.259 nan 8.150 nan 0.000 0.443 723 T N -0.254 114.484 114.554 0.307 0.000 2.652 723 T HA -0.175 4.177 4.350 0.004 0.000 0.267 723 T C 1.765 176.668 174.700 0.339 0.000 1.039 723 T CA 1.804 64.163 62.100 0.432 0.000 1.153 723 T CB -0.460 68.606 68.868 0.330 0.000 0.863 723 T HN 0.537 nan 8.240 nan 0.000 0.428 724 D N 0.859 121.442 120.400 0.305 0.000 2.104 724 D HA -0.042 4.601 4.640 0.004 0.000 0.194 724 D C 2.232 178.653 176.300 0.202 0.000 0.994 724 D CA 1.269 55.429 54.000 0.267 0.000 0.830 724 D CB -0.433 40.436 40.800 0.115 0.000 0.959 724 D HN 0.365 nan 8.370 nan 0.000 0.452 725 A N -0.227 122.697 122.820 0.173 0.000 2.024 725 A HA -0.125 4.198 4.320 0.004 0.000 0.220 725 A C 2.470 180.174 177.584 0.201 0.000 1.164 725 A CA 1.342 53.473 52.037 0.158 0.000 0.643 725 A CB -0.442 18.630 19.000 0.120 0.000 0.806 725 A HN 0.227 nan 8.150 nan 0.000 0.451 726 V N -0.697 119.365 119.914 0.248 0.000 2.446 726 V HA -0.112 4.010 4.120 0.004 0.000 0.244 726 V C 2.380 178.631 176.094 0.261 0.000 1.039 726 V CA 1.264 63.725 62.300 0.269 0.000 1.045 726 V CB -0.489 31.536 31.823 0.337 0.000 0.681 726 V HN 0.446 nan 8.190 nan 0.000 0.459 727 L N -0.178 121.188 121.223 0.239 0.000 2.017 727 L HA -0.122 4.220 4.340 0.004 0.000 0.208 727 L C 2.355 179.343 176.870 0.197 0.000 1.073 727 L CA 1.821 56.761 54.840 0.167 0.000 0.745 727 L CB -1.204 40.846 42.059 -0.016 0.000 0.894 727 L HN 0.231 nan 8.230 nan 0.000 0.432 728 K N -1.132 119.390 120.400 0.203 0.000 2.002 728 K HA -0.206 4.116 4.320 0.004 0.000 0.209 728 K C 2.299 178.992 176.600 0.154 0.000 1.048 728 K CA 1.396 57.789 56.287 0.177 0.000 0.930 728 K CB -0.572 32.023 32.500 0.159 0.000 0.714 728 K HN 0.326 nan 8.250 nan 0.000 0.438 729 H N -0.131 118.998 119.070 0.099 0.000 2.426 729 H HA -0.015 4.544 4.556 0.004 0.000 0.298 729 H C 1.225 176.596 175.328 0.070 0.000 1.107 729 H CA 1.661 57.755 56.048 0.077 0.000 1.298 729 H CB -0.013 29.793 29.762 0.072 0.000 1.377 729 H HN 0.080 nan 8.280 nan 0.000 0.519 730 L N -0.059 121.216 121.223 0.087 0.000 2.591 730 L HA -0.011 4.331 4.340 0.004 0.000 0.228 730 L C 0.519 177.401 176.870 0.020 0.000 1.133 730 L CA 0.133 54.991 54.840 0.030 0.000 0.880 730 L CB -0.285 41.824 42.059 0.084 0.000 1.033 730 L HN 0.425 nan 8.230 nan 0.000 0.450 731 N N 1.863 120.586 118.700 0.038 0.000 2.501 731 N HA -0.189 4.553 4.740 0.004 0.000 0.291 731 N C -0.956 174.618 175.510 0.106 0.000 1.304 731 N CA 0.568 53.653 53.050 0.058 0.000 0.686 731 N CB -0.550 37.941 38.487 0.006 0.000 0.924 731 N HN 0.249 nan 8.380 nan 0.000 0.533 732 I N 1.517 122.197 120.570 0.184 0.000 2.533 732 I HA 0.106 4.279 4.170 0.004 0.000 0.290 732 I C 0.057 176.347 176.117 0.288 0.000 1.056 732 I CA -0.966 60.486 61.300 0.253 0.000 1.057 732 I CB 1.745 39.950 38.000 0.342 0.000 1.240 732 I HN 0.232 nan 8.210 nan 0.000 0.423 733 D N 9.125 129.630 120.400 0.176 0.000 2.356 733 D HA 0.042 4.684 4.640 0.004 0.000 0.272 733 D C -1.418 174.808 176.300 -0.123 0.000 1.337 733 D CA -1.831 52.206 54.000 0.061 0.000 0.970 733 D CB 0.872 41.701 40.800 0.048 0.000 1.092 733 D HN 0.224 nan 8.370 nan 0.000 0.516 734 P HA -0.175 nan 4.420 nan 0.000 0.238 734 P C 0.608 177.575 177.300 -0.554 0.000 1.175 734 P CA 0.656 63.299 63.100 -0.762 0.000 0.757 734 P CB 0.366 31.910 31.700 -0.259 0.000 0.839 735 E N -0.051 119.985 120.200 -0.273 0.000 2.415 735 E HA -0.053 4.300 4.350 0.004 0.000 0.197 735 E C 1.825 178.422 176.600 -0.006 0.000 1.007 735 E CA 0.597 56.940 56.400 -0.095 0.000 0.890 735 E CB -0.390 29.300 29.700 -0.017 0.000 0.891 735 E HN 0.045 nan 8.360 nan 0.000 0.496 736 Q N -0.365 119.407 119.800 -0.048 0.000 2.451 736 Q HA 0.079 4.421 4.340 0.004 0.000 0.206 736 Q C -0.300 175.914 176.000 0.357 0.000 0.947 736 Q CA 0.324 56.232 55.803 0.175 0.000 0.937 736 Q CB 0.260 29.137 28.738 0.233 0.000 1.025 736 Q HN 0.405 nan 8.270 nan 0.000 0.511 737 Y N -2.826 117.572 120.300 0.164 0.000 2.744 737 Y HA 0.769 5.322 4.550 0.005 0.000 0.330 737 Y C -0.768 174.946 175.900 -0.310 0.000 1.263 737 Y CA -1.640 56.397 58.100 -0.104 0.000 1.065 737 Y CB 0.967 39.256 38.460 -0.285 0.000 1.306 737 Y HN -0.363 nan 8.280 nan 0.000 0.459 738 R N 0.915 121.254 120.500 -0.267 0.000 2.508 738 R HA 0.320 4.662 4.340 0.004 0.000 0.283 738 R C -2.216 173.960 176.300 -0.207 0.000 1.120 738 R CA -1.044 54.873 56.100 -0.304 0.000 0.958 738 R CB 1.401 31.259 30.300 -0.736 0.000 1.215 738 R HN 0.715 nan 8.270 nan 0.000 0.427 739 F N 1.407 121.336 119.950 -0.035 0.000 2.502 739 F HA 0.306 4.835 4.527 0.004 0.000 0.371 739 F C 1.672 177.482 175.800 0.017 0.000 1.083 739 F CA 0.670 58.714 58.000 0.073 0.000 1.174 739 F CB 0.705 39.763 39.000 0.097 0.000 1.096 739 F HN 0.569 nan 8.300 nan 0.000 0.545 740 G N 3.566 112.442 108.800 0.126 0.000 2.543 740 G HA2 0.358 4.320 3.960 0.004 0.000 0.290 740 G HA3 0.358 4.320 3.960 0.004 0.000 0.290 740 G C 0.978 176.011 174.900 0.221 0.000 1.310 740 G CA -0.609 44.518 45.100 0.045 0.000 1.025 740 G HN 0.660 nan 8.290 nan 0.000 0.502 741 I N -1.366 119.292 120.570 0.145 0.000 2.406 741 I HA -0.025 4.147 4.170 0.004 0.000 0.249 741 I C 2.604 178.869 176.117 0.247 0.000 1.122 741 I CA 1.272 62.678 61.300 0.177 0.000 1.431 741 I CB 0.212 38.267 38.000 0.092 0.000 1.087 741 I HN 0.539 nan 8.210 nan 0.000 0.424 742 T N 0.084 114.733 114.554 0.158 0.000 2.999 742 T HA 0.142 4.494 4.350 0.004 0.000 0.247 742 T C 0.421 175.042 174.700 -0.131 0.000 1.012 742 T CA -0.026 62.137 62.100 0.106 0.000 1.048 742 T CB 0.296 69.198 68.868 0.056 0.000 1.020 742 T HN 0.234 nan 8.240 nan 0.000 0.478 743 K N 0.367 120.583 120.400 -0.307 0.000 2.480 743 K HA 0.554 4.876 4.320 0.004 0.000 0.258 743 K C -1.309 174.862 176.600 -0.716 0.000 0.990 743 K CA -1.038 54.843 56.287 -0.676 0.000 0.857 743 K CB 1.595 33.898 32.500 -0.328 0.000 1.384 743 K HN -0.026 nan 8.250 nan 0.000 0.446 744 I N 2.487 122.522 120.570 -0.892 0.000 2.331 744 I HA 0.322 4.495 4.170 0.004 0.000 0.292 744 I C -1.284 174.464 176.117 -0.614 0.000 0.998 744 I CA -0.818 60.035 61.300 -0.745 0.000 1.267 744 I CB 0.187 37.609 38.000 -0.964 0.000 1.386 744 I HN 0.559 nan 8.210 nan 0.000 0.476 745 F N 7.830 127.349 119.950 -0.719 0.000 2.394 745 F HA 0.469 4.998 4.527 0.004 0.000 0.340 745 F C -0.157 175.325 175.800 -0.531 0.000 1.105 745 F CA -0.237 57.470 58.000 -0.488 0.000 1.124 745 F CB 0.908 39.661 39.000 -0.411 0.000 1.145 745 F HN 0.216 nan 8.300 nan 0.000 0.505 746 F N 1.725 121.800 119.950 0.208 0.000 2.577 746 F HA 0.602 5.131 4.527 0.004 0.000 0.318 746 F C 0.195 176.187 175.800 0.319 0.000 1.065 746 F CA -1.249 56.905 58.000 0.256 0.000 0.929 746 F CB 1.597 40.657 39.000 0.100 0.000 1.237 746 F HN 0.247 nan 8.300 nan 0.000 0.468 747 R N 0.956 121.734 120.500 0.463 0.000 2.528 747 R HA 0.713 5.056 4.340 0.004 0.000 0.271 747 R C -0.277 176.085 176.300 0.103 0.000 1.056 747 R CA -0.951 55.218 56.100 0.115 0.000 1.117 747 R CB 0.804 31.096 30.300 -0.014 0.000 1.085 747 R HN 0.763 nan 8.270 nan 0.000 0.530 748 A N 0.715 123.554 122.820 0.032 0.000 2.587 748 A HA 0.263 4.585 4.320 0.004 0.000 0.233 748 A C 1.406 179.022 177.584 0.053 0.000 1.049 748 A CA 1.065 53.128 52.037 0.044 0.000 0.754 748 A CB -0.667 18.366 19.000 0.056 0.000 0.977 748 A HN 0.958 nan 8.150 nan 0.000 0.509 749 G N 0.745 109.539 108.800 -0.010 0.000 2.328 749 G HA2 -0.381 3.582 3.960 0.004 0.000 0.256 749 G HA3 -0.381 3.582 3.960 0.004 0.000 0.256 749 G C 1.137 175.976 174.900 -0.101 0.000 1.014 749 G CA 1.328 46.412 45.100 -0.027 0.000 0.620 749 G HN 1.032 nan 8.290 nan 0.000 0.530 750 Q N 0.115 119.884 119.800 -0.052 0.000 2.016 750 Q HA 0.198 4.540 4.340 0.004 0.000 0.200 750 Q C 2.534 178.352 176.000 -0.303 0.000 0.978 750 Q CA 2.094 57.843 55.803 -0.090 0.000 0.833 750 Q CB -0.499 28.271 28.738 0.053 0.000 0.895 750 Q HN 0.824 nan 8.270 nan 0.000 0.427 751 L N 0.222 121.203 121.223 -0.404 0.000 2.187 751 L HA -0.078 4.265 4.340 0.004 0.000 0.213 751 L C 1.890 178.643 176.870 -0.195 0.000 1.100 751 L CA 2.148 56.729 54.840 -0.431 0.000 0.765 751 L CB -0.904 41.055 42.059 -0.167 0.000 0.904 751 L HN 0.257 nan 8.230 nan 0.000 0.437 752 A N -0.642 122.031 122.820 -0.245 0.000 1.872 752 A HA -0.166 4.156 4.320 0.004 0.000 0.214 752 A C 2.425 179.928 177.584 -0.135 0.000 1.187 752 A CA 1.391 53.275 52.037 -0.254 0.000 0.614 752 A CB -0.468 17.979 19.000 -0.921 0.000 0.826 752 A HN 0.413 nan 8.150 nan 0.000 0.442 753 R N -0.268 120.155 120.500 -0.127 0.000 2.091 753 R HA -0.081 4.262 4.340 0.004 0.000 0.238 753 R C 1.916 178.167 176.300 -0.082 0.000 1.136 753 R CA 1.776 57.859 56.100 -0.029 0.000 0.959 753 R CB -0.534 29.770 30.300 0.007 0.000 0.856 753 R HN 0.624 nan 8.270 nan 0.000 0.437 754 I N -0.040 120.417 120.570 -0.188 0.000 2.127 754 I HA -0.271 3.901 4.170 0.004 0.000 0.241 754 I C 2.307 178.239 176.117 -0.307 0.000 1.075 754 I CA 1.505 62.621 61.300 -0.305 0.000 1.334 754 I CB -0.272 37.420 38.000 -0.513 0.000 1.040 754 I HN 0.187 nan 8.210 nan 0.000 0.405 755 E N 1.350 121.413 120.200 -0.228 0.000 2.160 755 E HA -0.252 4.101 4.350 0.004 0.000 0.195 755 E C 1.885 178.514 176.600 0.049 0.000 0.991 755 E CA 1.497 57.897 56.400 0.001 0.000 0.810 755 E CB -0.107 29.684 29.700 0.152 0.000 0.742 755 E HN 0.455 nan 8.360 nan 0.000 0.466 756 E N -0.634 119.582 120.200 0.027 0.000 2.204 756 E HA -0.097 4.255 4.350 0.004 0.000 0.194 756 E C 1.847 178.462 176.600 0.025 0.000 0.989 756 E CA 0.748 57.177 56.400 0.048 0.000 0.824 756 E CB -0.072 29.666 29.700 0.063 0.000 0.756 756 E HN 0.405 nan 8.360 nan 0.000 0.477 757 A N 1.116 123.934 122.820 -0.004 0.000 1.930 757 A HA -0.084 4.239 4.320 0.004 0.000 0.215 757 A C 2.045 179.636 177.584 0.011 0.000 1.176 757 A CA 0.707 52.742 52.037 -0.004 0.000 0.632 757 A CB -0.165 18.821 19.000 -0.024 0.000 0.819 757 A HN 0.019 nan 8.150 nan 0.000 0.445 758 R N -0.076 120.446 120.500 0.036 0.000 2.081 758 R HA -0.136 4.207 4.340 0.004 0.000 0.235 758 R C 2.059 178.391 176.300 0.053 0.000 1.131 758 R CA 1.651 57.797 56.100 0.077 0.000 0.960 758 R CB -0.236 30.177 30.300 0.188 0.000 0.856 758 R HN 0.690 nan 8.270 nan 0.000 0.436 759 E N 0.265 120.499 120.200 0.057 0.000 2.049 759 E HA -0.277 4.075 4.350 0.004 0.000 0.198 759 E C 2.127 178.739 176.600 0.020 0.000 1.007 759 E CA 1.625 58.053 56.400 0.046 0.000 0.809 759 E CB -0.120 29.612 29.700 0.055 0.000 0.749 759 E HN 0.466 nan 8.360 nan 0.000 0.450 760 Q N 0.186 119.993 119.800 0.011 0.000 2.170 760 Q HA -0.180 4.163 4.340 0.004 0.000 0.203 760 Q C 2.233 178.218 176.000 -0.025 0.000 0.976 760 Q CA 1.207 57.004 55.803 -0.009 0.000 0.858 760 Q CB -0.162 28.571 28.738 -0.008 0.000 0.907 760 Q HN 0.159 nan 8.270 nan 0.000 0.433 761 R N 0.959 121.444 120.500 -0.024 0.000 2.062 761 R HA -0.116 4.226 4.340 0.004 0.000 0.231 761 R C 2.108 178.367 176.300 -0.067 0.000 1.136 761 R CA 1.073 57.143 56.100 -0.049 0.000 0.948 761 R CB -0.274 29.992 30.300 -0.057 0.000 0.845 761 R HN 0.209 nan 8.270 nan 0.000 0.430 762 L N 0.326 121.520 121.223 -0.050 0.000 2.081 762 L HA -0.139 4.204 4.340 0.004 0.000 0.212 762 L C 2.577 179.418 176.870 -0.048 0.000 1.080 762 L CA 1.545 56.354 54.840 -0.053 0.000 0.754 762 L CB -0.884 41.179 42.059 0.006 0.000 0.893 762 L HN 0.554 nan 8.230 nan 0.000 0.433 763 G N -1.047 107.732 108.800 -0.035 0.000 2.404 763 G HA2 -0.214 3.749 3.960 0.004 0.000 0.215 763 G HA3 -0.214 3.749 3.960 0.004 0.000 0.215 763 G C 1.728 176.587 174.900 -0.067 0.000 1.174 763 G CA 0.784 45.862 45.100 -0.038 0.000 0.780 763 G HN 0.303 nan 8.290 nan 0.000 0.537 764 S N 0.172 115.823 115.700 -0.081 0.000 2.365 764 S HA -0.162 4.310 4.470 0.004 0.000 0.221 764 S C 2.115 176.629 174.600 -0.142 0.000 1.037 764 S CA 1.489 59.619 58.200 -0.118 0.000 1.060 764 S CB -0.430 62.704 63.200 -0.110 0.000 0.974 764 S HN 0.538 nan 8.310 nan 0.000 0.427 765 E N 0.410 120.534 120.200 -0.127 0.000 2.169 765 E HA -0.301 4.051 4.350 0.004 0.000 0.202 765 E C 2.234 178.766 176.600 -0.114 0.000 1.016 765 E CA 1.492 57.814 56.400 -0.130 0.000 0.817 765 E CB -0.124 29.494 29.700 -0.137 0.000 0.736 765 E HN 0.542 nan 8.360 nan 0.000 0.462 766 Q N -0.672 119.074 119.800 -0.090 0.000 2.096 766 Q HA -0.091 4.251 4.340 0.004 0.000 0.197 766 Q C 2.013 177.974 176.000 -0.065 0.000 0.964 766 Q CA 1.637 57.403 55.803 -0.062 0.000 0.838 766 Q CB 0.145 28.860 28.738 -0.038 0.000 0.906 766 Q HN 0.148 nan 8.270 nan 0.000 0.444 767 T N 0.972 115.474 114.554 -0.088 0.000 2.684 767 T HA -0.186 4.166 4.350 0.004 0.000 0.267 767 T C 1.581 176.205 174.700 -0.127 0.000 1.036 767 T CA 1.538 63.585 62.100 -0.090 0.000 1.148 767 T CB -0.214 68.581 68.868 -0.121 0.000 0.863 767 T HN 0.274 nan 8.240 nan 0.000 0.436 768 K N 0.528 120.777 120.400 -0.251 0.000 2.286 768 K HA -0.092 4.231 4.320 0.004 0.000 0.203 768 K C 2.464 178.972 176.600 -0.153 0.000 1.045 768 K CA 1.245 57.282 56.287 -0.416 0.000 0.935 768 K CB -0.157 32.044 32.500 -0.499 0.000 0.737 768 K HN 0.201 nan 8.250 nan 0.000 0.460 769 S N 0.194 115.852 115.700 -0.069 0.000 2.441 769 S HA -0.085 4.387 4.470 0.004 0.000 0.224 769 S C 1.388 176.008 174.600 0.033 0.000 1.043 769 S CA 0.898 59.097 58.200 -0.001 0.000 0.948 769 S CB -0.130 63.062 63.200 -0.014 0.000 0.810 769 S HN 0.414 nan 8.310 nan 0.000 0.504 770 D N -0.135 120.281 120.400 0.026 0.000 2.117 770 D HA -0.143 4.499 4.640 0.004 0.000 0.197 770 D C 1.654 177.993 176.300 0.065 0.000 0.987 770 D CA 1.186 55.206 54.000 0.035 0.000 0.829 770 D CB -0.286 40.529 40.800 0.026 0.000 0.961 770 D HN 0.504 nan 8.370 nan 0.000 0.460 771 Y N 0.502 120.790 120.300 -0.020 0.000 2.036 771 Y HA -0.231 4.322 4.550 0.004 0.000 0.273 771 Y C 2.017 177.960 175.900 0.072 0.000 1.135 771 Y CA 1.626 59.743 58.100 0.029 0.000 1.106 771 Y CB -0.713 37.764 38.460 0.028 0.000 0.976 771 Y HN -0.017 nan 8.280 nan 0.000 0.483 772 L N 0.827 122.160 121.223 0.183 0.000 2.013 772 L HA -0.261 4.082 4.340 0.004 0.000 0.212 772 L C 2.424 179.293 176.870 -0.002 0.000 1.073 772 L CA 2.376 57.277 54.840 0.103 0.000 0.753 772 L CB -1.216 40.958 42.059 0.193 0.000 0.890 772 L HN 0.220 nan 8.230 nan 0.000 0.432 773 K N 0.047 120.454 120.400 0.011 0.000 2.152 773 K HA -0.155 4.167 4.320 0.004 0.000 0.206 773 K C 2.132 178.711 176.600 -0.035 0.000 1.048 773 K CA 1.539 57.825 56.287 -0.002 0.000 0.933 773 K CB -0.082 32.423 32.500 0.008 0.000 0.721 773 K HN 0.244 nan 8.250 nan 0.000 0.447 774 R N -0.769 119.683 120.500 -0.081 0.000 2.140 774 R HA 0.225 4.568 4.340 0.004 0.000 0.213 774 R C 2.246 178.455 176.300 -0.152 0.000 1.059 774 R CA 0.689 56.726 56.100 -0.106 0.000 1.000 774 R CB -0.160 30.075 30.300 -0.108 0.000 0.910 774 R HN 0.226 nan 8.270 nan 0.000 0.455 775 A N 1.821 124.485 122.820 -0.260 0.000 1.832 775 A HA -0.169 4.154 4.320 0.004 0.000 0.214 775 A C 1.677 179.213 177.584 -0.079 0.000 1.204 775 A CA 1.597 53.482 52.037 -0.253 0.000 0.606 775 A CB -0.767 17.977 19.000 -0.426 0.000 0.849 775 A HN 0.275 nan 8.150 nan 0.000 0.445 776 N N -0.404 118.271 118.700 -0.042 0.000 2.091 776 N HA -0.237 4.506 4.740 0.004 0.000 0.193 776 N C 1.792 177.325 175.510 0.039 0.000 1.021 776 N CA 1.818 54.877 53.050 0.015 0.000 0.862 776 N CB -0.186 38.317 38.487 0.026 0.000 1.018 776 N HN 0.733 nan 8.380 nan 0.000 0.429 777 E N 0.134 120.350 120.200 0.026 0.000 2.077 777 E HA -0.165 4.188 4.350 0.004 0.000 0.193 777 E C 1.882 178.546 176.600 0.107 0.000 0.989 777 E CA 0.607 57.041 56.400 0.057 0.000 0.800 777 E CB -0.036 29.679 29.700 0.024 0.000 0.746 777 E HN 0.249 nan 8.360 nan 0.000 0.452 778 L N 0.162 121.425 121.223 0.067 0.000 1.970 778 L HA -0.184 4.158 4.340 0.004 0.000 0.212 778 L C 2.262 179.280 176.870 0.247 0.000 1.071 778 L CA 1.600 56.514 54.840 0.122 0.000 0.751 778 L CB -0.612 41.471 42.059 0.040 0.000 0.889 778 L HN 0.053 nan 8.230 nan 0.000 0.432 779 V N -0.321 119.691 119.914 0.164 0.000 2.255 779 V HA -0.367 3.756 4.120 0.004 0.000 0.247 779 V C 2.597 178.789 176.094 0.163 0.000 1.051 779 V CA 2.221 64.621 62.300 0.167 0.000 1.018 779 V CB -0.835 31.048 31.823 0.100 0.000 0.641 779 V HN 0.580 nan 8.190 nan 0.000 0.445 780 Q N -1.666 118.215 119.800 0.135 0.000 2.197 780 Q HA -0.305 4.038 4.340 0.004 0.000 0.207 780 Q C 2.007 178.093 176.000 0.142 0.000 0.984 780 Q CA 2.458 58.326 55.803 0.108 0.000 0.869 780 Q CB -0.255 28.540 28.738 0.094 0.000 0.906 780 Q HN 0.851 nan 8.270 nan 0.000 0.426 781 W N 0.557 121.879 121.300 0.037 0.000 2.441 781 W HA -0.066 4.596 4.660 0.004 0.000 0.302 781 W C 1.588 178.135 176.519 0.046 0.000 1.191 781 W CA 0.848 58.220 57.345 0.045 0.000 1.327 781 W CB -0.151 29.348 29.460 0.064 0.000 1.128 781 W HN -0.029 nan 8.180 nan 0.000 0.522 782 I N 1.454 122.261 120.570 0.394 0.000 2.127 782 I HA -0.430 3.742 4.170 0.004 0.000 0.241 782 I C 2.173 178.208 176.117 -0.137 0.000 1.075 782 I CA 1.753 63.142 61.300 0.148 0.000 1.334 782 I CB -0.877 37.322 38.000 0.331 0.000 1.040 782 I HN 0.054 nan 8.210 nan 0.000 0.405 783 N N 0.922 119.596 118.700 -0.043 0.000 2.091 783 N HA -0.237 4.505 4.740 0.004 0.000 0.193 783 N C 1.452 176.867 175.510 -0.159 0.000 1.021 783 N CA 1.841 54.845 53.050 -0.077 0.000 0.862 783 N CB -0.603 37.869 38.487 -0.026 0.000 1.018 783 N HN 0.381 nan 8.380 nan 0.000 0.429 784 D N -0.145 120.123 120.400 -0.220 0.000 2.183 784 D HA -0.066 4.576 4.640 0.004 0.000 0.203 784 D C 1.831 177.910 176.300 -0.369 0.000 0.969 784 D CA 0.830 54.674 54.000 -0.260 0.000 0.842 784 D CB -0.011 40.646 40.800 -0.238 0.000 0.957 784 D HN 0.084 nan 8.370 nan 0.000 0.484 785 K N 0.601 120.647 120.400 -0.590 0.000 2.097 785 K HA -0.092 4.230 4.320 0.004 0.000 0.205 785 K C 1.926 178.283 176.600 -0.404 0.000 1.050 785 K CA 1.026 56.947 56.287 -0.611 0.000 0.938 785 K CB -0.138 31.813 32.500 -0.915 0.000 0.718 785 K HN 0.102 nan 8.250 nan 0.000 0.442 786 Q N -0.576 119.031 119.800 -0.322 0.000 2.020 786 Q HA -0.100 4.242 4.340 0.004 0.000 0.202 786 Q C 1.833 177.738 176.000 -0.159 0.000 0.982 786 Q CA 1.859 57.535 55.803 -0.212 0.000 0.838 786 Q CB -0.314 28.330 28.738 -0.156 0.000 0.899 786 Q HN 0.346 nan 8.270 nan 0.000 0.423 787 A N -0.014 122.718 122.820 -0.147 0.000 2.024 787 A HA -0.199 4.124 4.320 0.004 0.000 0.220 787 A C 2.110 179.629 177.584 -0.107 0.000 1.164 787 A CA 1.771 53.744 52.037 -0.107 0.000 0.643 787 A CB -0.817 18.125 19.000 -0.097 0.000 0.806 787 A HN 0.486 nan 8.150 nan 0.000 0.451 788 S N -0.267 115.342 115.700 -0.151 0.000 2.329 788 S HA -0.081 4.392 4.470 0.004 0.000 0.215 788 S C 1.931 176.475 174.600 -0.094 0.000 1.031 788 S CA 1.275 59.394 58.200 -0.135 0.000 0.985 788 S CB -0.575 62.502 63.200 -0.204 0.000 0.917 788 S HN 0.469 nan 8.310 nan 0.000 0.441 789 L N 1.391 122.511 121.223 -0.172 0.000 2.089 789 L HA -0.146 4.196 4.340 0.004 0.000 0.213 789 L C 2.514 179.464 176.870 0.133 0.000 1.079 789 L CA 1.783 56.538 54.840 -0.141 0.000 0.758 789 L CB -0.673 41.214 42.059 -0.286 0.000 0.891 789 L HN 0.457 nan 8.230 nan 0.000 0.433 790 E N -0.645 119.571 120.200 0.025 0.000 2.472 790 E HA -0.075 4.278 4.350 0.004 0.000 0.200 790 E C 1.006 177.619 176.600 0.022 0.000 1.046 790 E CA 0.004 56.426 56.400 0.037 0.000 0.871 790 E CB 0.037 29.729 29.700 -0.013 0.000 0.806 790 E HN 0.283 nan 8.360 nan 0.000 0.533 791 S N 0.501 116.205 115.700 0.007 0.000 2.576 791 S HA 0.089 4.561 4.470 0.004 0.000 0.276 791 S C 0.765 175.217 174.600 -0.246 0.000 1.339 791 S CA -0.309 57.830 58.200 -0.102 0.000 1.039 791 S CB 0.588 63.725 63.200 -0.103 0.000 0.902 791 S HN 0.067 nan 8.310 nan 0.000 0.516 792 R N 1.935 122.181 120.500 -0.424 0.000 2.629 792 R HA 0.160 4.503 4.340 0.004 0.000 0.386 792 R C -0.928 174.732 176.300 -1.067 0.000 1.071 792 R CA -0.170 55.510 56.100 -0.700 0.000 1.104 792 R CB 0.003 30.203 30.300 -0.167 0.000 1.370 792 R HN 0.744 nan 8.270 nan 0.000 0.574 793 D N -0.084 119.714 120.400 -1.004 0.000 2.500 793 D HA 0.061 4.704 4.640 0.004 0.000 0.219 793 D C -0.026 175.727 176.300 -0.912 0.000 1.137 793 D CA -0.573 53.012 54.000 -0.692 0.000 0.946 793 D CB -0.400 40.194 40.800 -0.343 0.000 1.022 793 D HN -0.036 nan 8.370 nan 0.000 0.518 794 F N 1.481 121.131 119.950 -0.500 0.000 2.798 794 F HA 0.458 4.987 4.527 0.004 0.000 0.291 794 F C 1.847 177.370 175.800 -0.462 0.000 1.174 794 F CA -0.162 57.279 58.000 -0.932 0.000 1.392 794 F CB 0.147 38.620 39.000 -0.878 0.000 0.966 794 F HN 0.596 nan 8.300 nan 0.000 0.509 795 G N 0.825 109.540 108.800 -0.141 0.000 2.598 795 G HA2 -0.274 3.688 3.960 0.004 0.000 0.244 795 G HA3 -0.274 3.688 3.960 0.004 0.000 0.244 795 G C 0.237 175.140 174.900 0.005 0.000 1.302 795 G CA 0.288 45.384 45.100 -0.007 0.000 0.903 795 G HN 0.290 nan 8.290 nan 0.000 0.575 796 D N -0.649 119.772 120.400 0.035 0.000 2.449 796 D HA 0.250 4.892 4.640 0.004 0.000 0.255 796 D C 1.544 177.879 176.300 0.057 0.000 1.121 796 D CA 1.136 55.160 54.000 0.041 0.000 0.830 796 D CB 0.609 41.433 40.800 0.040 0.000 1.280 796 D HN 0.768 nan 8.370 nan 0.000 0.522 797 S N -0.478 115.254 115.700 0.053 0.000 2.721 797 S HA 0.381 4.854 4.470 0.004 0.000 0.296 797 S C 1.232 175.853 174.600 0.035 0.000 1.093 797 S CA -0.506 57.722 58.200 0.045 0.000 0.959 797 S CB 0.984 64.211 63.200 0.045 0.000 1.301 797 S HN -0.228 nan 8.310 nan 0.000 0.550 798 I N 2.258 122.844 120.570 0.026 0.000 2.072 798 I HA -0.066 4.106 4.170 0.004 0.000 0.235 798 I C 2.468 178.613 176.117 0.046 0.000 1.058 798 I CA 1.658 62.972 61.300 0.023 0.000 1.320 798 I CB -1.444 36.565 38.000 0.014 0.000 1.047 798 I HN 0.764 nan 8.210 nan 0.000 0.397 799 E N 0.426 120.656 120.200 0.051 0.000 2.181 799 E HA -0.355 3.997 4.350 0.004 0.000 0.225 799 E C 2.249 178.915 176.600 0.111 0.000 1.073 799 E CA 2.296 58.737 56.400 0.069 0.000 0.916 799 E CB -1.158 28.578 29.700 0.061 0.000 0.793 799 E HN 0.433 nan 8.360 nan 0.000 0.472 800 S N -0.137 115.638 115.700 0.125 0.000 2.392 800 S HA -0.233 4.239 4.470 0.004 0.000 0.225 800 S C 2.089 176.862 174.600 0.290 0.000 1.041 800 S CA 1.960 60.284 58.200 0.207 0.000 1.100 800 S CB -0.581 62.709 63.200 0.150 0.000 1.029 800 S HN 0.168 nan 8.310 nan 0.000 0.424 801 V N 1.916 121.914 119.914 0.140 0.000 2.380 801 V HA -0.178 3.945 4.120 0.004 0.000 0.251 801 V C 2.758 178.924 176.094 0.119 0.000 1.063 801 V CA 2.373 64.712 62.300 0.065 0.000 1.055 801 V CB -1.076 30.716 31.823 -0.052 0.000 0.657 801 V HN 0.569 nan 8.190 nan 0.000 0.455 802 Q N 1.073 120.935 119.800 0.105 0.000 2.119 802 Q HA -0.165 4.177 4.340 0.004 0.000 0.201 802 Q C 2.377 178.457 176.000 0.132 0.000 0.972 802 Q CA 2.143 57.999 55.803 0.090 0.000 0.847 802 Q CB -0.477 28.298 28.738 0.062 0.000 0.903 802 Q HN 0.805 nan 8.270 nan 0.000 0.433 803 S N -1.018 114.788 115.700 0.176 0.000 2.368 803 S HA -0.116 4.356 4.470 0.004 0.000 0.224 803 S C 1.773 176.459 174.600 0.143 0.000 1.029 803 S CA 0.984 59.263 58.200 0.131 0.000 0.988 803 S CB -0.817 62.442 63.200 0.099 0.000 0.838 803 S HN 0.386 nan 8.310 nan 0.000 0.462 804 F N 1.590 121.596 119.950 0.094 0.000 2.269 804 F HA 0.125 4.655 4.527 0.004 0.000 0.301 804 F C 2.534 178.411 175.800 0.129 0.000 1.082 804 F CA 1.166 59.249 58.000 0.139 0.000 1.360 804 F CB -0.535 38.575 39.000 0.182 0.000 1.041 804 F HN 0.198 nan 8.300 nan 0.000 0.512 805 M N -0.524 119.220 119.600 0.241 0.000 2.156 805 M HA -0.178 4.304 4.480 0.004 0.000 0.264 805 M C 1.823 178.231 176.300 0.179 0.000 1.067 805 M CA 1.216 56.618 55.300 0.171 0.000 1.131 805 M CB -0.324 32.326 32.600 0.083 0.000 1.368 805 M HN 0.028 nan 8.290 nan 0.000 0.416 806 N N 0.599 119.380 118.700 0.134 0.000 2.331 806 N HA -0.030 4.712 4.740 0.004 0.000 0.180 806 N C 1.614 177.186 175.510 0.104 0.000 1.019 806 N CA 1.406 54.517 53.050 0.100 0.000 0.881 806 N CB -0.269 38.259 38.487 0.068 0.000 0.972 806 N HN 0.297 nan 8.380 nan 0.000 0.435 807 A N 0.264 123.148 122.820 0.108 0.000 1.968 807 A HA -0.142 4.181 4.320 0.004 0.000 0.217 807 A C 2.003 179.689 177.584 0.170 0.000 1.169 807 A CA 1.246 53.335 52.037 0.086 0.000 0.638 807 A CB -0.668 18.326 19.000 -0.011 0.000 0.812 807 A HN 0.321 nan 8.150 nan 0.000 0.446 808 H N -0.292 118.859 119.070 0.135 0.000 2.462 808 H HA 0.049 4.608 4.556 0.004 0.000 0.292 808 H C 1.940 177.390 175.328 0.204 0.000 1.049 808 H CA 1.820 57.972 56.048 0.174 0.000 1.334 808 H CB -0.001 29.886 29.762 0.209 0.000 1.404 808 H HN 0.484 nan 8.280 nan 0.000 0.544 809 K N 0.334 120.819 120.400 0.142 0.000 2.031 809 K HA -0.123 4.200 4.320 0.004 0.000 0.205 809 K C 1.972 178.592 176.600 0.033 0.000 1.049 809 K CA 1.486 57.812 56.287 0.065 0.000 0.939 809 K CB 0.094 32.642 32.500 0.079 0.000 0.717 809 K HN 0.342 nan 8.250 nan 0.000 0.438 810 E N -0.359 119.877 120.200 0.061 0.000 2.038 810 E HA -0.263 4.090 4.350 0.004 0.000 0.195 810 E C 1.864 178.488 176.600 0.040 0.000 1.000 810 E CA 1.786 58.213 56.400 0.046 0.000 0.803 810 E CB -0.335 29.399 29.700 0.057 0.000 0.750 810 E HN 0.366 nan 8.360 nan 0.000 0.448 811 Y N 1.892 122.170 120.300 -0.036 0.000 2.069 811 Y HA -0.314 4.238 4.550 0.004 0.000 0.278 811 Y C 1.707 177.578 175.900 -0.049 0.000 1.175 811 Y CA 1.943 60.022 58.100 -0.035 0.000 1.134 811 Y CB -0.088 38.330 38.460 -0.069 0.000 0.965 811 Y HN -0.172 nan 8.280 nan 0.000 0.498 812 K N -0.401 119.811 120.400 -0.313 0.000 2.515 812 K HA -0.117 4.205 4.320 0.004 0.000 0.196 812 K C 1.184 177.658 176.600 -0.211 0.000 1.038 812 K CA 1.153 57.228 56.287 -0.354 0.000 0.967 812 K CB 0.036 32.430 32.500 -0.178 0.000 0.780 812 K HN 0.235 nan 8.250 nan 0.000 0.483 813 K N -1.719 118.591 120.400 -0.151 0.000 2.464 813 K HA 0.127 4.450 4.320 0.004 0.000 0.206 813 K C 1.178 177.730 176.600 -0.081 0.000 1.186 813 K CA 0.488 56.722 56.287 -0.088 0.000 0.990 813 K CB 0.891 33.365 32.500 -0.044 0.000 1.003 813 K HN -0.098 nan 8.250 nan 0.000 0.562 814 T N -0.138 114.362 114.554 -0.091 0.000 3.391 814 T HA 0.010 4.363 4.350 0.004 0.000 0.233 814 T C 1.411 176.065 174.700 -0.076 0.000 0.960 814 T CA 0.170 62.235 62.100 -0.059 0.000 1.342 814 T CB 0.005 68.863 68.868 -0.016 0.000 1.124 814 T HN 0.205 nan 8.240 nan 0.000 0.396 815 E N 1.119 121.282 120.200 -0.062 0.000 2.338 815 E HA -0.104 4.248 4.350 0.004 0.000 0.197 815 E C 1.998 178.531 176.600 -0.112 0.000 1.007 815 E CA 0.919 57.309 56.400 -0.018 0.000 0.849 815 E CB 0.115 29.925 29.700 0.183 0.000 0.774 815 E HN 0.282 nan 8.360 nan 0.000 0.506 816 K N -0.060 120.168 120.400 -0.285 0.000 2.063 816 K HA 0.013 4.336 4.320 0.004 0.000 0.204 816 K C -0.893 175.671 176.600 -0.061 0.000 1.039 816 K CA 0.618 56.766 56.287 -0.231 0.000 0.957 816 K CB -0.433 31.782 32.500 -0.475 0.000 0.764 816 K HN 0.011 nan 8.250 nan 0.000 0.447 817 P HA -0.173 nan 4.420 nan 0.000 0.219 817 P C -1.748 175.506 177.300 -0.076 0.000 1.161 817 P CA 2.320 65.387 63.100 -0.054 0.000 0.909 817 P CB -0.808 30.855 31.700 -0.062 0.000 0.793 818 P HA -0.188 nan 4.420 nan 0.000 0.214 818 P C 1.372 178.566 177.300 -0.177 0.000 1.163 818 P CA 1.856 64.876 63.100 -0.134 0.000 0.889 818 P CB -0.504 31.110 31.700 -0.144 0.000 0.790 819 K N -0.850 119.421 120.400 -0.216 0.000 2.280 819 K HA -0.020 4.303 4.320 0.004 0.000 0.202 819 K C 2.188 178.644 176.600 -0.239 0.000 1.047 819 K CA 1.456 57.598 56.287 -0.242 0.000 0.942 819 K CB -1.179 31.101 32.500 -0.368 0.000 0.739 819 K HN 0.251 nan 8.250 nan 0.000 0.457 820 G N 1.202 109.886 108.800 -0.193 0.000 2.404 820 G HA2 -0.233 3.730 3.960 0.004 0.000 0.214 820 G HA3 -0.233 3.730 3.960 0.004 0.000 0.214 820 G C 1.532 176.197 174.900 -0.392 0.000 1.189 820 G CA 0.130 44.978 45.100 -0.420 0.000 0.789 820 G HN 0.169 nan 8.290 nan 0.000 0.533 821 Q N 0.243 119.906 119.800 -0.228 0.000 2.030 821 Q HA -0.127 4.215 4.340 0.004 0.000 0.204 821 Q C 2.467 178.354 176.000 -0.188 0.000 0.986 821 Q CA 1.791 57.488 55.803 -0.178 0.000 0.843 821 Q CB -0.498 28.167 28.738 -0.121 0.000 0.904 821 Q HN 0.573 nan 8.270 nan 0.000 0.420 822 E N -0.045 120.040 120.200 -0.191 0.000 2.114 822 E HA -0.158 4.194 4.350 0.004 0.000 0.199 822 E C 1.942 178.434 176.600 -0.179 0.000 1.008 822 E CA 1.503 57.804 56.400 -0.165 0.000 0.810 822 E CB -0.260 29.338 29.700 -0.170 0.000 0.739 822 E HN 0.137 nan 8.360 nan 0.000 0.456 823 V N 0.526 120.267 119.914 -0.287 0.000 2.255 823 V HA -0.302 3.821 4.120 0.004 0.000 0.247 823 V C 2.443 178.411 176.094 -0.211 0.000 1.051 823 V CA 2.255 64.373 62.300 -0.304 0.000 1.018 823 V CB -0.911 30.532 31.823 -0.634 0.000 0.641 823 V HN 0.534 nan 8.190 nan 0.000 0.445 824 S N -1.068 114.494 115.700 -0.230 0.000 2.489 824 S HA -0.127 4.346 4.470 0.004 0.000 0.228 824 S C 1.798 176.355 174.600 -0.071 0.000 0.995 824 S CA 1.304 59.420 58.200 -0.141 0.000 0.934 824 S CB -0.229 62.883 63.200 -0.148 0.000 0.771 824 S HN 0.722 nan 8.310 nan 0.000 0.522 825 E N 0.942 121.101 120.200 -0.069 0.000 2.250 825 E HA 0.129 4.482 4.350 0.004 0.000 0.192 825 E C 1.726 178.347 176.600 0.034 0.000 0.986 825 E CA 0.285 56.671 56.400 -0.023 0.000 0.849 825 E CB -0.056 29.621 29.700 -0.037 0.000 0.797 825 E HN 0.557 nan 8.360 nan 0.000 0.482 826 L N 0.798 122.047 121.223 0.043 0.000 2.291 826 L HA -0.093 4.250 4.340 0.004 0.000 0.214 826 L C 2.459 179.499 176.870 0.284 0.000 1.120 826 L CA 0.894 55.838 54.840 0.172 0.000 0.799 826 L CB -0.276 41.826 42.059 0.071 0.000 0.925 826 L HN 0.209 nan 8.230 nan 0.000 0.446 827 E N 0.897 121.180 120.200 0.138 0.000 2.046 827 E HA -0.193 4.159 4.350 0.004 0.000 0.190 827 E C 2.296 178.984 176.600 0.146 0.000 0.982 827 E CA 1.179 57.653 56.400 0.122 0.000 0.800 827 E CB 0.011 29.730 29.700 0.031 0.000 0.756 827 E HN 0.359 nan 8.360 nan 0.000 0.449 828 A N 1.281 124.156 122.820 0.092 0.000 1.883 828 A HA -0.189 4.133 4.320 0.004 0.000 0.217 828 A C 2.260 179.894 177.584 0.083 0.000 1.186 828 A CA 1.605 53.684 52.037 0.070 0.000 0.624 828 A CB -0.811 18.210 19.000 0.035 0.000 0.822 828 A HN 0.410 nan 8.150 nan 0.000 0.444 829 I N -2.084 118.550 120.570 0.107 0.000 2.264 829 I HA -0.278 3.895 4.170 0.004 0.000 0.248 829 I C 2.458 178.605 176.117 0.051 0.000 1.111 829 I CA 1.857 63.211 61.300 0.090 0.000 1.382 829 I CB -0.306 37.787 38.000 0.155 0.000 1.060 829 I HN 0.603 nan 8.210 nan 0.000 0.418 830 Y N 1.529 121.805 120.300 -0.041 0.000 2.286 830 Y HA -0.195 4.358 4.550 0.004 0.000 0.293 830 Y C 2.240 178.106 175.900 -0.057 0.000 1.124 830 Y CA 1.608 59.621 58.100 -0.146 0.000 1.178 830 Y CB -0.103 38.276 38.460 -0.136 0.000 1.010 830 Y HN 0.122 nan 8.280 nan 0.000 0.536 831 N N -0.412 118.396 118.700 0.180 0.000 2.080 831 N HA -0.166 4.577 4.740 0.004 0.000 0.189 831 N C 2.017 177.517 175.510 -0.016 0.000 1.036 831 N CA 1.854 54.962 53.050 0.097 0.000 0.846 831 N CB -0.447 38.102 38.487 0.104 0.000 1.015 831 N HN 0.209 nan 8.380 nan 0.000 0.423 832 S N 0.459 116.151 115.700 -0.014 0.000 2.359 832 S HA -0.111 4.362 4.470 0.004 0.000 0.224 832 S C 1.789 176.338 174.600 -0.085 0.000 1.035 832 S CA 0.709 58.886 58.200 -0.039 0.000 1.018 832 S CB -0.482 62.703 63.200 -0.026 0.000 0.876 832 S HN 0.277 nan 8.310 nan 0.000 0.448 833 L N 2.022 123.167 121.223 -0.131 0.000 2.081 833 L HA -0.154 4.189 4.340 0.004 0.000 0.212 833 L C 2.151 178.903 176.870 -0.197 0.000 1.080 833 L CA 1.781 56.504 54.840 -0.195 0.000 0.754 833 L CB -0.750 41.125 42.059 -0.308 0.000 0.893 833 L HN 0.196 nan 8.230 nan 0.000 0.433 834 Q N -0.974 118.695 119.800 -0.218 0.000 2.083 834 Q HA -0.097 4.245 4.340 0.004 0.000 0.198 834 Q C 2.137 178.081 176.000 -0.094 0.000 0.969 834 Q CA 1.993 57.693 55.803 -0.173 0.000 0.838 834 Q CB -0.886 27.737 28.738 -0.192 0.000 0.900 834 Q HN 0.552 nan 8.270 nan 0.000 0.436 835 T N 1.794 116.303 114.554 -0.074 0.000 2.684 835 T HA -0.186 4.166 4.350 0.004 0.000 0.267 835 T C 1.850 176.521 174.700 -0.048 0.000 1.036 835 T CA 1.755 63.827 62.100 -0.047 0.000 1.148 835 T CB -0.123 68.723 68.868 -0.036 0.000 0.863 835 T HN 0.274 nan 8.240 nan 0.000 0.436 836 K N 0.861 121.226 120.400 -0.058 0.000 2.009 836 K HA -0.014 4.308 4.320 0.004 0.000 0.210 836 K C 2.253 178.824 176.600 -0.049 0.000 1.049 836 K CA 1.147 57.403 56.287 -0.053 0.000 0.929 836 K CB -0.411 32.051 32.500 -0.063 0.000 0.714 836 K HN 0.272 nan 8.250 nan 0.000 0.440 837 L N 0.515 121.701 121.223 -0.062 0.000 2.351 837 L HA -0.198 4.145 4.340 0.004 0.000 0.220 837 L C 2.470 179.325 176.870 -0.024 0.000 1.127 837 L CA 0.922 55.734 54.840 -0.046 0.000 0.786 837 L CB -0.252 41.774 42.059 -0.054 0.000 0.914 837 L HN 0.171 nan 8.230 nan 0.000 0.443 838 R N -0.729 119.754 120.500 -0.028 0.000 2.075 838 R HA -0.024 4.319 4.340 0.004 0.000 0.226 838 R C 2.060 178.349 176.300 -0.018 0.000 1.114 838 R CA 0.830 56.919 56.100 -0.019 0.000 0.972 838 R CB -0.125 30.162 30.300 -0.021 0.000 0.869 838 R HN 0.121 nan 8.270 nan 0.000 0.437 839 L N 0.420 121.630 121.223 -0.022 0.000 2.217 839 L HA -0.044 4.298 4.340 0.004 0.000 0.211 839 L C 1.981 178.842 176.870 -0.015 0.000 1.107 839 L CA 1.154 55.982 54.840 -0.020 0.000 0.783 839 L CB -0.639 41.408 42.059 -0.020 0.000 0.919 839 L HN 0.273 nan 8.230 nan 0.000 0.442 840 I N 0.511 121.076 120.570 -0.009 0.000 3.001 840 I HA -0.132 4.041 4.170 0.004 0.000 0.268 840 I C 0.465 176.600 176.117 0.030 0.000 1.267 840 I CA 0.664 61.968 61.300 0.007 0.000 1.472 840 I CB -0.289 37.712 38.000 0.002 0.000 1.089 840 I HN 0.277 nan 8.210 nan 0.000 0.468 841 K N 1.744 122.152 120.400 0.013 0.000 3.224 841 K HA -0.177 4.146 4.320 0.004 0.000 0.270 841 K C 0.072 176.756 176.600 0.139 0.000 1.165 841 K CA 0.445 56.740 56.287 0.013 0.000 0.801 841 K CB -1.878 30.540 32.500 -0.138 0.000 1.286 841 K HN 0.711 nan 8.250 nan 0.000 0.500 842 R N -1.833 118.719 120.500 0.087 0.000 2.795 842 R HA 0.560 4.903 4.340 0.004 0.000 0.268 842 R C -0.809 175.520 176.300 0.049 0.000 1.041 842 R CA -1.093 55.062 56.100 0.091 0.000 0.927 842 R CB 0.917 31.259 30.300 0.070 0.000 1.235 842 R HN -0.110 nan 8.270 nan 0.000 0.463 843 E N 2.617 122.844 120.200 0.045 0.000 2.708 843 E HA 0.003 4.356 4.350 0.004 0.000 0.260 843 E C -1.855 174.764 176.600 0.033 0.000 0.937 843 E CA -0.233 56.188 56.400 0.036 0.000 0.953 843 E CB 0.472 30.193 29.700 0.036 0.000 0.915 843 E HN 0.305 nan 8.360 nan 0.000 0.487 844 P HA -0.024 nan 4.420 nan 0.000 0.275 844 P C -0.640 176.696 177.300 0.059 0.000 1.228 844 P CA -0.277 62.834 63.100 0.018 0.000 0.786 844 P CB 0.445 32.143 31.700 -0.002 0.000 0.927 845 F N 3.514 123.375 119.950 -0.148 0.000 2.484 845 F HA 0.268 4.797 4.527 0.004 0.000 0.360 845 F C -0.285 175.465 175.800 -0.083 0.000 1.101 845 F CA -0.414 57.497 58.000 -0.148 0.000 1.251 845 F CB 0.558 39.395 39.000 -0.271 0.000 1.132 845 F HN 0.066 nan 8.300 nan 0.000 0.570 846 V N 7.567 127.075 119.914 -0.676 0.000 2.439 846 V HA 0.684 4.806 4.120 0.004 0.000 0.277 846 V C -0.297 175.353 176.094 -0.740 0.000 1.008 846 V CA -0.343 61.614 62.300 -0.571 0.000 0.846 846 V CB 0.432 32.129 31.823 -0.209 0.000 1.031 846 V HN 1.190 nan 8.190 nan 0.000 0.441 847 A N 7.859 130.125 122.820 -0.922 0.000 2.466 847 A HA 0.655 4.977 4.320 0.004 0.000 0.238 847 A C -2.188 175.328 177.584 -0.113 0.000 1.074 847 A CA -0.644 51.140 52.037 -0.422 0.000 0.774 847 A CB -0.336 18.644 19.000 -0.033 0.000 1.015 847 A HN 0.758 nan 8.150 nan 0.000 0.498 848 P HA 0.280 nan 4.420 nan 0.000 0.268 848 P C -0.147 177.167 177.300 0.024 0.000 1.208 848 P CA 0.348 63.464 63.100 0.028 0.000 0.777 848 P CB 0.377 32.117 31.700 0.067 0.000 0.875 849 A N 2.153 124.983 122.820 0.015 0.000 2.566 849 A HA 0.374 4.696 4.320 0.004 0.000 0.245 849 A C 1.510 179.110 177.584 0.026 0.000 1.056 849 A CA 1.114 53.160 52.037 0.014 0.000 0.757 849 A CB -1.440 17.567 19.000 0.012 0.000 0.979 849 A HN 0.860 nan 8.150 nan 0.000 0.508 850 G N 1.374 110.190 108.800 0.026 0.000 2.604 850 G HA2 -0.136 3.827 3.960 0.004 0.000 0.205 850 G HA3 -0.136 3.827 3.960 0.004 0.000 0.205 850 G C -0.102 174.824 174.900 0.044 0.000 1.186 850 G CA -0.036 45.086 45.100 0.035 0.000 0.753 850 G HN 0.958 nan 8.290 nan 0.000 0.526 851 L N 1.870 123.129 121.223 0.060 0.000 2.326 851 L HA 0.799 5.142 4.340 0.004 0.000 0.278 851 L C 0.625 177.557 176.870 0.103 0.000 1.092 851 L CA 0.839 55.736 54.840 0.094 0.000 0.810 851 L CB 1.473 43.618 42.059 0.144 0.000 1.153 851 L HN 0.868 nan 8.230 nan 0.000 0.439 852 T N 2.523 117.135 114.554 0.097 0.000 3.199 852 T HA 0.065 4.417 4.350 0.004 0.000 0.417 852 T C -2.363 172.249 174.700 -0.147 0.000 1.608 852 T CA -0.478 61.572 62.100 -0.082 0.000 1.018 852 T CB 0.335 69.115 68.868 -0.148 0.000 1.671 852 T HN 0.373 nan 8.240 nan 0.000 0.464 853 P HA -0.212 nan 4.420 nan 0.000 0.218 853 P C 1.260 178.497 177.300 -0.105 0.000 1.165 853 P CA 2.035 65.020 63.100 -0.192 0.000 0.922 853 P CB -0.114 31.415 31.700 -0.285 0.000 0.794 854 N N -0.270 118.359 118.700 -0.118 0.000 2.104 854 N HA -0.144 4.599 4.740 0.004 0.000 0.190 854 N C 1.844 177.346 175.510 -0.014 0.000 1.024 854 N CA 1.349 54.368 53.050 -0.051 0.000 0.853 854 N CB -0.687 37.772 38.487 -0.047 0.000 1.008 854 N HN 0.384 nan 8.380 nan 0.000 0.424 855 E N -0.206 119.983 120.200 -0.017 0.000 2.208 855 E HA -0.002 4.350 4.350 0.004 0.000 0.193 855 E C 1.766 178.393 176.600 0.045 0.000 0.988 855 E CA 0.430 56.839 56.400 0.015 0.000 0.828 855 E CB 0.030 29.736 29.700 0.011 0.000 0.763 855 E HN 0.387 nan 8.360 nan 0.000 0.478 856 I N 1.222 121.815 120.570 0.039 0.000 2.315 856 I HA -0.227 3.946 4.170 0.004 0.000 0.248 856 I C 1.845 178.036 176.117 0.124 0.000 1.117 856 I CA 0.789 62.136 61.300 0.078 0.000 1.404 856 I CB -0.128 37.897 38.000 0.041 0.000 1.071 856 I HN 0.041 nan 8.210 nan 0.000 0.419 857 D N 0.696 121.143 120.400 0.079 0.000 2.104 857 D HA -0.142 4.500 4.640 0.004 0.000 0.194 857 D C 2.393 178.794 176.300 0.169 0.000 0.994 857 D CA 1.421 55.486 54.000 0.110 0.000 0.830 857 D CB -0.036 40.795 40.800 0.053 0.000 0.959 857 D HN 0.161 nan 8.370 nan 0.000 0.452 858 S N -0.140 115.628 115.700 0.113 0.000 2.356 858 S HA -0.132 4.340 4.470 0.004 0.000 0.223 858 S C 2.105 176.778 174.600 0.121 0.000 1.032 858 S CA 1.512 59.772 58.200 0.101 0.000 1.005 858 S CB -0.487 62.751 63.200 0.063 0.000 0.867 858 S HN 0.312 nan 8.310 nan 0.000 0.449 859 T N 1.060 115.694 114.554 0.132 0.000 2.759 859 T HA -0.155 4.198 4.350 0.004 0.000 0.269 859 T C 1.308 176.112 174.700 0.173 0.000 1.042 859 T CA 1.122 63.301 62.100 0.132 0.000 1.140 859 T CB -0.279 68.674 68.868 0.143 0.000 0.864 859 T HN 0.602 nan 8.240 nan 0.000 0.455 860 W N 1.340 122.679 121.300 0.064 0.000 2.476 860 W HA 0.033 4.695 4.660 0.005 0.000 0.281 860 W C 2.187 178.750 176.519 0.074 0.000 1.230 860 W CA 0.540 57.936 57.345 0.086 0.000 1.287 860 W CB -0.333 29.175 29.460 0.080 0.000 1.108 860 W HN 0.214 nan 8.180 nan 0.000 0.567 861 S N 0.784 116.617 115.700 0.221 0.000 2.368 861 S HA -0.123 4.350 4.470 0.004 0.000 0.224 861 S C 2.114 176.725 174.600 0.020 0.000 1.029 861 S CA 1.625 59.901 58.200 0.127 0.000 0.988 861 S CB -0.553 62.723 63.200 0.127 0.000 0.838 861 S HN 0.301 nan 8.310 nan 0.000 0.462 862 A N 1.175 124.005 122.820 0.017 0.000 1.940 862 A HA -0.082 4.240 4.320 0.004 0.000 0.219 862 A C 2.105 179.647 177.584 -0.070 0.000 1.176 862 A CA 1.531 53.559 52.037 -0.015 0.000 0.631 862 A CB -0.648 18.351 19.000 -0.002 0.000 0.814 862 A HN 0.481 nan 8.150 nan 0.000 0.446 863 L N -0.499 120.640 121.223 -0.140 0.000 2.093 863 L HA -0.044 4.299 4.340 0.004 0.000 0.208 863 L C 2.034 178.769 176.870 -0.226 0.000 1.085 863 L CA 2.585 57.288 54.840 -0.228 0.000 0.755 863 L CB -0.522 41.310 42.059 -0.379 0.000 0.904 863 L HN 0.336 nan 8.230 nan 0.000 0.435 864 E N -0.288 119.760 120.200 -0.252 0.000 2.204 864 E HA -0.186 4.166 4.350 0.004 0.000 0.195 864 E C 2.047 178.628 176.600 -0.032 0.000 0.990 864 E CA 0.996 57.315 56.400 -0.135 0.000 0.821 864 E CB -0.027 29.638 29.700 -0.059 0.000 0.750 864 E HN 0.348 nan 8.360 nan 0.000 0.477 865 K N -0.766 119.614 120.400 -0.032 0.000 2.067 865 K HA 0.116 4.439 4.320 0.004 0.000 0.203 865 K C 1.995 178.595 176.600 -0.000 0.000 1.048 865 K CA 0.845 57.130 56.287 -0.003 0.000 0.954 865 K CB -0.162 32.338 32.500 -0.001 0.000 0.737 865 K HN 0.142 nan 8.250 nan 0.000 0.444 866 A N 1.646 124.452 122.820 -0.024 0.000 1.978 866 A HA -0.207 4.116 4.320 0.004 0.000 0.220 866 A C 1.951 179.546 177.584 0.018 0.000 1.170 866 A CA 1.664 53.691 52.037 -0.015 0.000 0.636 866 A CB -0.391 18.572 19.000 -0.061 0.000 0.810 866 A HN 0.388 nan 8.150 nan 0.000 0.448 867 E N -0.711 119.499 120.200 0.017 0.000 2.077 867 E HA -0.217 4.135 4.350 0.004 0.000 0.193 867 E C 2.323 179.004 176.600 0.136 0.000 0.989 867 E CA 1.382 57.850 56.400 0.114 0.000 0.800 867 E CB -0.150 29.650 29.700 0.167 0.000 0.746 867 E HN 0.748 nan 8.360 nan 0.000 0.452 868 Q N 0.229 120.083 119.800 0.090 0.000 2.123 868 Q HA -0.129 4.213 4.340 0.004 0.000 0.199 868 Q C 1.909 177.926 176.000 0.028 0.000 0.966 868 Q CA 0.894 56.738 55.803 0.068 0.000 0.845 868 Q CB 0.120 28.890 28.738 0.053 0.000 0.907 868 Q HN 0.305 nan 8.270 nan 0.000 0.439 869 E N -0.178 120.038 120.200 0.026 0.000 2.274 869 E HA -0.172 4.181 4.350 0.004 0.000 0.194 869 E C 1.881 178.475 176.600 -0.011 0.000 0.996 869 E CA 0.503 56.906 56.400 0.005 0.000 0.840 869 E CB -0.085 29.622 29.700 0.012 0.000 0.772 869 E HN 0.435 nan 8.360 nan 0.000 0.491 870 H N 1.087 120.099 119.070 -0.097 0.000 2.326 870 H HA 0.013 4.571 4.556 0.004 0.000 0.301 870 H C 2.020 177.187 175.328 -0.269 0.000 1.081 870 H CA 1.565 57.523 56.048 -0.149 0.000 1.334 870 H CB 0.203 29.849 29.762 -0.193 0.000 1.385 870 H HN 0.135 nan 8.280 nan 0.000 0.504 871 A N 0.808 123.494 122.820 -0.223 0.000 1.902 871 A HA -0.188 4.135 4.320 0.004 0.000 0.217 871 A C 2.361 179.813 177.584 -0.220 0.000 1.181 871 A CA 1.829 53.714 52.037 -0.252 0.000 0.623 871 A CB -0.485 18.470 19.000 -0.076 0.000 0.818 871 A HN 0.501 nan 8.150 nan 0.000 0.443 872 E N 0.255 120.365 120.200 -0.149 0.000 2.051 872 E HA -0.072 4.280 4.350 0.004 0.000 0.192 872 E C 2.061 178.550 176.600 -0.185 0.000 0.991 872 E CA 1.596 57.920 56.400 -0.127 0.000 0.799 872 E CB -0.505 29.151 29.700 -0.074 0.000 0.748 872 E HN 0.465 nan 8.360 nan 0.000 0.449 873 A N 0.501 123.185 122.820 -0.226 0.000 1.908 873 A HA -0.181 4.142 4.320 0.004 0.000 0.218 873 A C 2.328 179.645 177.584 -0.446 0.000 1.181 873 A CA 1.573 53.456 52.037 -0.257 0.000 0.627 873 A CB -0.807 18.079 19.000 -0.189 0.000 0.818 873 A HN 0.353 nan 8.150 nan 0.000 0.445 874 L N -1.113 119.726 121.223 -0.641 0.000 2.046 874 L HA -0.196 4.147 4.340 0.004 0.000 0.208 874 L C 2.827 179.475 176.870 -0.370 0.000 1.077 874 L CA 1.791 56.211 54.840 -0.699 0.000 0.747 874 L CB -0.490 41.189 42.059 -0.634 0.000 0.896 874 L HN 0.524 nan 8.230 nan 0.000 0.432 875 R N 0.928 121.275 120.500 -0.255 0.000 2.070 875 R HA -0.178 4.165 4.340 0.004 0.000 0.233 875 R C 2.221 178.441 176.300 -0.134 0.000 1.137 875 R CA 1.684 57.691 56.100 -0.154 0.000 0.945 875 R CB -0.311 29.923 30.300 -0.110 0.000 0.845 875 R HN 0.293 nan 8.270 nan 0.000 0.430 876 I N 0.785 121.272 120.570 -0.138 0.000 2.756 876 I HA -0.153 4.020 4.170 0.004 0.000 0.262 876 I C 1.891 177.944 176.117 -0.106 0.000 1.225 876 I CA 0.851 62.089 61.300 -0.103 0.000 1.472 876 I CB -0.024 37.924 38.000 -0.088 0.000 1.094 876 I HN 0.304 nan 8.210 nan 0.000 0.454 877 E N 0.682 120.789 120.200 -0.155 0.000 2.276 877 E HA -0.116 4.237 4.350 0.004 0.000 0.193 877 E C 1.839 178.376 176.600 -0.106 0.000 0.983 877 E CA 0.560 56.881 56.400 -0.132 0.000 0.861 877 E CB 0.008 29.589 29.700 -0.199 0.000 0.817 877 E HN 0.254 nan 8.360 nan 0.000 0.485 878 L N 0.536 121.688 121.223 -0.119 0.000 2.217 878 L HA 0.004 4.347 4.340 0.004 0.000 0.211 878 L C 1.753 178.588 176.870 -0.058 0.000 1.107 878 L CA 1.515 56.307 54.840 -0.079 0.000 0.783 878 L CB -0.192 41.821 42.059 -0.077 0.000 0.919 878 L HN -0.057 nan 8.230 nan 0.000 0.442 879 K N -0.397 119.966 120.400 -0.062 0.000 2.002 879 K HA -0.176 4.147 4.320 0.004 0.000 0.209 879 K C 2.272 178.846 176.600 -0.044 0.000 1.048 879 K CA 1.375 57.633 56.287 -0.049 0.000 0.930 879 K CB -0.311 32.160 32.500 -0.049 0.000 0.714 879 K HN 0.299 nan 8.250 nan 0.000 0.438 880 R N 0.926 121.399 120.500 -0.045 0.000 2.152 880 R HA -0.155 4.187 4.340 0.004 0.000 0.232 880 R C 2.183 178.463 176.300 -0.032 0.000 1.117 880 R CA 1.280 57.359 56.100 -0.035 0.000 0.981 880 R CB 0.107 30.391 30.300 -0.026 0.000 0.870 880 R HN 0.105 nan 8.270 nan 0.000 0.451 881 Q N 0.829 120.610 119.800 -0.032 0.000 2.049 881 Q HA -0.134 4.209 4.340 0.004 0.000 0.198 881 Q C 1.699 177.676 176.000 -0.037 0.000 0.971 881 Q CA 1.995 57.784 55.803 -0.023 0.000 0.833 881 Q CB 0.108 28.837 28.738 -0.015 0.000 0.896 881 Q HN 0.383 nan 8.270 nan 0.000 0.434 882 K N -0.733 119.644 120.400 -0.038 0.000 2.432 882 K HA -0.016 4.307 4.320 0.004 0.000 0.196 882 K C 1.801 178.370 176.600 -0.052 0.000 1.038 882 K CA 0.839 57.102 56.287 -0.040 0.000 0.986 882 K CB 0.046 32.527 32.500 -0.031 0.000 0.782 882 K HN -0.059 nan 8.250 nan 0.000 0.485 883 K N 1.133 121.501 120.400 -0.054 0.000 2.155 883 K HA 0.070 4.392 4.320 0.004 0.000 0.203 883 K C 1.788 178.336 176.600 -0.087 0.000 1.052 883 K CA 0.765 57.017 56.287 -0.059 0.000 0.948 883 K CB 0.059 32.529 32.500 -0.050 0.000 0.728 883 K HN 0.165 nan 8.250 nan 0.000 0.448 884 I N 0.239 120.744 120.570 -0.108 0.000 2.500 884 I HA -0.141 4.032 4.170 0.004 0.000 0.252 884 I C 2.211 178.200 176.117 -0.213 0.000 1.142 884 I CA 0.580 61.761 61.300 -0.198 0.000 1.451 884 I CB -0.100 37.773 38.000 -0.212 0.000 1.093 884 I HN 0.168 nan 8.210 nan 0.000 0.430 885 A N 0.549 123.291 122.820 -0.130 0.000 1.877 885 A HA -0.164 4.159 4.320 0.004 0.000 0.216 885 A C 2.405 179.935 177.584 -0.089 0.000 1.186 885 A CA 1.682 53.659 52.037 -0.100 0.000 0.620 885 A CB -0.947 18.019 19.000 -0.057 0.000 0.822 885 A HN 0.217 nan 8.150 nan 0.000 0.443 886 V N 0.141 120.009 119.914 -0.076 0.000 2.343 886 V HA -0.255 3.868 4.120 0.004 0.000 0.247 886 V C 2.527 178.583 176.094 -0.063 0.000 1.051 886 V CA 1.983 64.248 62.300 -0.058 0.000 1.036 886 V CB -0.677 31.117 31.823 -0.049 0.000 0.654 886 V HN 0.573 nan 8.190 nan 0.000 0.451 887 L N -1.209 119.958 121.223 -0.093 0.000 2.217 887 L HA -0.129 4.214 4.340 0.004 0.000 0.211 887 L C 2.328 179.145 176.870 -0.087 0.000 1.107 887 L CA 0.883 55.669 54.840 -0.089 0.000 0.783 887 L CB -0.401 41.580 42.059 -0.131 0.000 0.919 887 L HN 0.316 nan 8.230 nan 0.000 0.442 888 L N -0.738 120.399 121.223 -0.144 0.000 2.109 888 L HA -0.150 4.192 4.340 0.004 0.000 0.207 888 L C 2.640 179.502 176.870 -0.014 0.000 1.086 888 L CA 1.435 56.200 54.840 -0.124 0.000 0.760 888 L CB -0.443 41.510 42.059 -0.176 0.000 0.910 888 L HN 0.209 nan 8.230 nan 0.000 0.437 889 Q N -0.021 119.764 119.800 -0.024 0.000 2.016 889 Q HA -0.215 4.128 4.340 0.004 0.000 0.200 889 Q C 2.249 178.251 176.000 0.004 0.000 0.978 889 Q CA 1.618 57.417 55.803 -0.007 0.000 0.833 889 Q CB -0.035 28.692 28.738 -0.019 0.000 0.895 889 Q HN 0.461 nan 8.270 nan 0.000 0.427 890 K N -0.631 119.769 120.400 0.000 0.000 2.074 890 K HA -0.224 4.098 4.320 0.004 0.000 0.209 890 K C 2.146 178.746 176.600 -0.000 0.000 1.048 890 K CA 1.722 58.005 56.287 -0.007 0.000 0.926 890 K CB -0.395 32.101 32.500 -0.006 0.000 0.713 890 K HN 0.189 nan 8.250 nan 0.000 0.444 891 Y N 2.186 122.432 120.300 -0.089 0.000 2.114 891 Y HA -0.264 4.289 4.550 0.004 0.000 0.284 891 Y C 2.061 177.897 175.900 -0.108 0.000 1.143 891 Y CA 1.583 59.624 58.100 -0.099 0.000 1.135 891 Y CB -0.141 38.262 38.460 -0.096 0.000 0.980 891 Y HN 0.125 nan 8.280 nan 0.000 0.499 892 N N 0.220 118.972 118.700 0.088 0.000 2.058 892 N HA -0.181 4.561 4.740 0.004 0.000 0.191 892 N C 1.950 177.409 175.510 -0.085 0.000 1.037 892 N CA 1.579 54.629 53.050 0.001 0.000 0.848 892 N CB -0.489 38.017 38.487 0.031 0.000 1.021 892 N HN 0.373 nan 8.380 nan 0.000 0.422 893 R N 0.707 121.169 120.500 -0.063 0.000 2.119 893 R HA -0.118 4.225 4.340 0.004 0.000 0.246 893 R C 2.320 178.548 176.300 -0.119 0.000 1.146 893 R CA 1.045 57.103 56.100 -0.071 0.000 0.962 893 R CB -0.487 29.781 30.300 -0.052 0.000 0.863 893 R HN 0.308 nan 8.270 nan 0.000 0.442 894 I N 0.817 121.278 120.570 -0.181 0.000 2.142 894 I HA -0.316 3.856 4.170 0.004 0.000 0.240 894 I C 2.320 178.253 176.117 -0.306 0.000 1.078 894 I CA 1.378 62.532 61.300 -0.244 0.000 1.343 894 I CB -0.293 37.515 38.000 -0.319 0.000 1.046 894 I HN 0.176 nan 8.210 nan 0.000 0.405 895 L N 0.391 121.371 121.223 -0.405 0.000 2.127 895 L HA -0.233 4.109 4.340 0.004 0.000 0.211 895 L C 2.546 179.210 176.870 -0.344 0.000 1.089 895 L CA 1.420 55.945 54.840 -0.525 0.000 0.757 895 L CB -0.659 41.096 42.059 -0.507 0.000 0.899 895 L HN 0.251 nan 8.230 nan 0.000 0.434 896 K N 0.324 120.619 120.400 -0.176 0.000 1.985 896 K HA -0.178 4.145 4.320 0.004 0.000 0.210 896 K C 2.146 178.749 176.600 0.005 0.000 1.047 896 K CA 1.278 57.531 56.287 -0.057 0.000 0.932 896 K CB -0.163 32.320 32.500 -0.028 0.000 0.716 896 K HN 0.217 nan 8.250 nan 0.000 0.439 897 K N 1.082 121.474 120.400 -0.014 0.000 2.015 897 K HA -0.175 4.148 4.320 0.004 0.000 0.216 897 K C 2.246 178.943 176.600 0.162 0.000 1.052 897 K CA 1.576 57.897 56.287 0.055 0.000 0.937 897 K CB -0.400 32.092 32.500 -0.015 0.000 0.719 897 K HN 0.098 nan 8.250 nan 0.000 0.446 898 L N 0.812 122.076 121.223 0.070 0.000 1.990 898 L HA -0.270 4.072 4.340 0.004 0.000 0.213 898 L C 2.737 180.001 176.870 0.657 0.000 1.072 898 L CA 1.647 56.660 54.840 0.289 0.000 0.755 898 L CB -0.633 41.421 42.059 -0.009 0.000 0.889 898 L HN 0.400 nan 8.230 nan 0.000 0.432 899 E N 0.488 120.981 120.200 0.489 0.000 2.038 899 E HA -0.253 4.100 4.350 0.004 0.000 0.195 899 E C 1.781 178.638 176.600 0.428 0.000 1.000 899 E CA 1.572 58.356 56.400 0.641 0.000 0.803 899 E CB 0.003 29.927 29.700 0.374 0.000 0.750 899 E HN 0.471 nan 8.360 nan 0.000 0.448 900 N N -0.580 118.305 118.700 0.308 0.000 2.512 900 N HA -0.124 4.618 4.740 0.004 0.000 0.183 900 N C 1.129 176.818 175.510 0.298 0.000 1.073 900 N CA 0.753 53.949 53.050 0.243 0.000 0.911 900 N CB -0.129 38.461 38.487 0.172 0.000 0.964 900 N HN 0.397 nan 8.380 nan 0.000 0.447 901 W N 1.572 122.994 121.300 0.203 0.000 2.601 901 W HA 0.228 4.891 4.660 0.004 0.000 0.292 901 W C 2.339 178.989 176.519 0.219 0.000 1.153 901 W CA 1.129 58.595 57.345 0.200 0.000 1.448 901 W CB -0.447 29.156 29.460 0.238 0.000 1.113 901 W HN -0.025 nan 8.180 nan 0.000 0.548 902 A N -0.089 123.100 122.820 0.614 0.000 1.948 902 A HA -0.246 4.077 4.320 0.004 0.000 0.220 902 A C 1.850 179.481 177.584 0.077 0.000 1.177 902 A CA 2.606 54.838 52.037 0.325 0.000 0.636 902 A CB -1.419 17.854 19.000 0.455 0.000 0.815 902 A HN 0.323 nan 8.150 nan 0.000 0.449 903 T N -0.814 113.814 114.554 0.124 0.000 2.867 903 T HA -0.083 4.270 4.350 0.004 0.000 0.268 903 T C 1.965 176.652 174.700 -0.022 0.000 1.057 903 T CA 1.869 63.999 62.100 0.050 0.000 1.136 903 T CB -0.315 68.605 68.868 0.087 0.000 0.874 903 T HN 0.579 nan 8.240 nan 0.000 0.466 904 T N 1.065 115.583 114.554 -0.061 0.000 2.896 904 T HA 0.019 4.371 4.350 0.004 0.000 0.263 904 T C 1.631 176.222 174.700 -0.182 0.000 1.050 904 T CA 0.860 62.889 62.100 -0.119 0.000 1.140 904 T CB -0.048 68.738 68.868 -0.137 0.000 0.877 904 T HN 0.071 nan 8.240 nan 0.000 0.457 905 K N 1.744 121.965 120.400 -0.300 0.000 2.504 905 K HA 0.177 4.499 4.320 0.004 0.000 0.199 905 K C 1.813 178.318 176.600 -0.159 0.000 1.028 905 K CA -0.010 56.142 56.287 -0.225 0.000 1.164 905 K CB -0.061 32.215 32.500 -0.372 0.000 0.877 905 K HN 0.402 nan 8.250 nan 0.000 0.508 906 S N -2.617 112.997 115.700 -0.143 0.000 2.506 906 S HA 0.045 4.517 4.470 0.004 0.000 0.219 906 S C 1.671 176.176 174.600 -0.158 0.000 1.031 906 S CA -0.127 57.984 58.200 -0.149 0.000 0.911 906 S CB 0.098 63.242 63.200 -0.094 0.000 0.812 906 S HN -0.041 nan 8.310 nan 0.000 0.497 907 V N 1.250 121.092 119.914 -0.120 0.000 2.446 907 V HA -0.027 4.095 4.120 0.004 0.000 0.244 907 V C 2.230 178.238 176.094 -0.144 0.000 1.039 907 V CA 1.631 63.866 62.300 -0.109 0.000 1.045 907 V CB -1.022 30.760 31.823 -0.068 0.000 0.681 907 V HN 0.609 nan 8.190 nan 0.000 0.459 908 Y N 1.376 121.507 120.300 -0.281 0.000 2.165 908 Y HA -0.144 4.409 4.550 0.004 0.000 0.286 908 Y C 1.541 177.096 175.900 -0.575 0.000 1.155 908 Y CA 1.347 59.228 58.100 -0.365 0.000 1.164 908 Y CB -0.360 37.895 38.460 -0.342 0.000 0.978 908 Y HN 0.198 nan 8.280 nan 0.000 0.513 909 L N 0.965 121.723 121.223 -0.776 0.000 2.873 909 L HA 0.258 4.600 4.340 0.004 0.000 0.236 909 L C 0.695 177.227 176.870 -0.563 0.000 1.375 909 L CA 0.551 54.828 54.840 -0.940 0.000 1.239 909 L CB -0.515 41.135 42.059 -0.681 0.000 1.603 909 L HN 0.482 nan 8.230 nan 0.000 0.430 910 G N -0.500 107.991 108.800 -0.515 0.000 5.648 910 G HA2 0.242 4.204 3.960 0.004 0.000 0.192 910 G HA3 0.242 4.204 3.960 0.004 0.000 0.192 910 G C -0.474 174.300 174.900 -0.211 0.000 0.694 910 G CA 0.199 45.133 45.100 -0.276 0.000 0.654 910 G HN 0.265 nan 8.290 nan 0.000 0.324 911 S N -0.803 114.744 115.700 -0.255 0.000 2.586 911 S HA 0.414 4.886 4.470 0.004 0.000 0.296 911 S C -1.431 173.143 174.600 -0.043 0.000 1.120 911 S CA -0.884 57.242 58.200 -0.122 0.000 0.927 911 S CB 1.034 64.171 63.200 -0.105 0.000 1.114 911 S HN 0.330 nan 8.310 nan 0.000 0.453 912 N N 1.384 120.110 118.700 0.044 0.000 2.690 912 N HA 0.316 5.059 4.740 0.004 0.000 0.255 912 N C -0.359 175.178 175.510 0.046 0.000 1.195 912 N CA -0.383 52.730 53.050 0.104 0.000 0.790 912 N CB 1.077 39.647 38.487 0.137 0.000 1.216 912 N HN 0.600 nan 8.380 nan 0.000 0.528 913 E N 0.332 120.553 120.200 0.035 0.000 2.431 913 E HA 0.148 4.500 4.350 0.004 0.000 0.200 913 E C -0.114 176.499 176.600 0.021 0.000 0.995 913 E CA 0.697 57.109 56.400 0.020 0.000 0.915 913 E CB 0.888 30.594 29.700 0.011 0.000 0.930 913 E HN 0.334 nan 8.360 nan 0.000 0.496 914 T N -0.413 114.159 114.554 0.030 0.000 3.533 914 T HA 0.300 4.652 4.350 0.004 0.000 0.275 914 T C 0.365 175.081 174.700 0.026 0.000 1.000 914 T CA -0.077 62.038 62.100 0.025 0.000 1.015 914 T CB 0.886 69.769 68.868 0.025 0.000 1.153 914 T HN 0.090 nan 8.240 nan 0.000 0.504 915 G N 0.917 109.730 108.800 0.022 0.000 4.294 915 G HA2 0.362 4.324 3.960 0.004 0.000 0.301 915 G HA3 0.362 4.324 3.960 0.004 0.000 0.301 915 G C -0.556 174.345 174.900 0.001 0.000 1.321 915 G CA -0.589 44.518 45.100 0.011 0.000 1.190 915 G HN 0.291 nan 8.290 nan 0.000 0.600 916 D N 0.876 121.280 120.400 0.006 0.000 2.622 916 D HA 0.465 5.107 4.640 0.004 0.000 0.262 916 D C -0.126 176.178 176.300 0.006 0.000 1.189 916 D CA 0.092 54.095 54.000 0.005 0.000 0.985 916 D CB 0.973 41.777 40.800 0.007 0.000 0.994 916 D HN 0.119 nan 8.370 nan 0.000 0.513 917 S N 0.303 116.005 115.700 0.003 0.000 2.674 917 S HA 0.073 4.546 4.470 0.004 0.000 0.321 917 S C 0.477 175.076 174.600 -0.001 0.000 0.934 917 S CA -0.687 57.515 58.200 0.004 0.000 0.827 917 S CB 0.116 63.319 63.200 0.005 0.000 1.041 917 S HN 0.271 nan 8.310 nan 0.000 0.470 918 I N 3.114 123.684 120.570 -0.000 0.000 2.530 918 I HA -0.161 4.011 4.170 0.004 0.000 0.257 918 I C 2.136 178.250 176.117 -0.006 0.000 1.179 918 I CA 1.645 62.943 61.300 -0.004 0.000 1.440 918 I CB -0.284 37.715 38.000 -0.001 0.000 1.087 918 I HN 0.696 nan 8.210 nan 0.000 0.440 919 T N 0.275 114.827 114.554 -0.003 0.000 2.894 919 T HA 0.026 4.379 4.350 0.004 0.000 0.258 919 T C 2.037 176.738 174.700 0.001 0.000 1.043 919 T CA 1.122 63.221 62.100 -0.001 0.000 1.141 919 T CB -0.107 68.761 68.868 -0.001 0.000 0.873 919 T HN 0.442 nan 8.240 nan 0.000 0.449 920 A N 0.883 123.705 122.820 0.003 0.000 2.014 920 A HA 0.090 4.413 4.320 0.004 0.000 0.218 920 A C 2.462 180.048 177.584 0.004 0.000 1.163 920 A CA 0.797 52.839 52.037 0.008 0.000 0.652 920 A CB -0.708 18.299 19.000 0.012 0.000 0.808 920 A HN 0.331 nan 8.150 nan 0.000 0.449 921 V N 1.074 120.982 119.914 -0.010 0.000 2.256 921 V HA -0.272 3.851 4.120 0.004 0.000 0.240 921 V C 2.674 178.747 176.094 -0.035 0.000 1.036 921 V CA 1.956 64.237 62.300 -0.030 0.000 1.008 921 V CB -1.000 30.798 31.823 -0.042 0.000 0.648 921 V HN 0.875 nan 8.190 nan 0.000 0.453 922 Q N 0.770 120.555 119.800 -0.026 0.000 2.515 922 Q HA -0.098 4.245 4.340 0.004 0.000 0.215 922 Q C 1.802 177.798 176.000 -0.008 0.000 0.983 922 Q CA 1.641 57.430 55.803 -0.023 0.000 0.905 922 Q CB -0.339 28.390 28.738 -0.016 0.000 0.961 922 Q HN 0.574 nan 8.270 nan 0.000 0.503 923 A N 1.569 124.389 122.820 0.001 0.000 1.956 923 A HA -0.008 4.315 4.320 0.004 0.000 0.212 923 A C 1.984 179.588 177.584 0.033 0.000 1.188 923 A CA 0.708 52.755 52.037 0.018 0.000 0.675 923 A CB -0.114 18.898 19.000 0.020 0.000 0.845 923 A HN 0.268 nan 8.150 nan 0.000 0.455 924 K N -0.258 120.157 120.400 0.026 0.000 2.439 924 K HA 0.165 4.488 4.320 0.004 0.000 0.197 924 K C 1.262 177.875 176.600 0.023 0.000 1.041 924 K CA 0.431 56.751 56.287 0.055 0.000 0.970 924 K CB -0.162 32.364 32.500 0.043 0.000 0.773 924 K HN 0.452 nan 8.250 nan 0.000 0.479 925 L N 0.255 121.465 121.223 -0.022 0.000 2.446 925 L HA -0.001 4.341 4.340 0.004 0.000 0.219 925 L C 1.946 178.830 176.870 0.024 0.000 1.116 925 L CA 0.510 55.322 54.840 -0.047 0.000 0.844 925 L CB 0.076 42.093 42.059 -0.070 0.000 0.970 925 L HN 0.081 nan 8.230 nan 0.000 0.457 926 K N -0.168 120.260 120.400 0.046 0.000 2.137 926 K HA -0.008 4.314 4.320 0.004 0.000 0.202 926 K C 1.553 178.219 176.600 0.111 0.000 1.052 926 K CA 0.711 57.038 56.287 0.066 0.000 0.961 926 K CB -0.044 32.487 32.500 0.050 0.000 0.741 926 K HN 0.324 nan 8.250 nan 0.000 0.452 927 N N 1.595 120.376 118.700 0.135 0.000 2.364 927 N HA -0.148 4.594 4.740 0.004 0.000 0.183 927 N C 1.570 177.257 175.510 0.294 0.000 1.022 927 N CA 0.660 53.823 53.050 0.189 0.000 0.883 927 N CB -0.054 38.555 38.487 0.203 0.000 0.965 927 N HN 0.128 nan 8.380 nan 0.000 0.438 928 L N 1.266 122.646 121.223 0.262 0.000 2.418 928 L HA 0.072 4.414 4.340 0.004 0.000 0.218 928 L C 1.313 178.341 176.870 0.263 0.000 1.125 928 L CA 1.246 56.251 54.840 0.275 0.000 0.835 928 L CB -0.187 41.942 42.059 0.117 0.000 0.953 928 L HN 0.109 nan 8.230 nan 0.000 0.454 929 E N -0.748 119.567 120.200 0.192 0.000 2.364 929 E HA 0.058 4.410 4.350 0.004 0.000 0.196 929 E C 1.934 178.634 176.600 0.166 0.000 0.990 929 E CA 0.606 57.100 56.400 0.158 0.000 0.886 929 E CB 0.387 30.144 29.700 0.095 0.000 0.866 929 E HN 0.463 nan 8.360 nan 0.000 0.493 930 A N 0.505 123.435 122.820 0.183 0.000 2.067 930 A HA -0.062 4.261 4.320 0.004 0.000 0.217 930 A C 1.733 179.435 177.584 0.196 0.000 1.156 930 A CA 0.354 52.482 52.037 0.152 0.000 0.683 930 A CB -0.379 18.698 19.000 0.128 0.000 0.808 930 A HN 0.305 nan 8.150 nan 0.000 0.455 931 F N 0.828 120.862 119.950 0.140 0.000 2.219 931 F HA -0.032 4.497 4.527 0.004 0.000 0.294 931 F C 1.212 177.116 175.800 0.172 0.000 1.086 931 F CA 1.506 59.614 58.000 0.180 0.000 1.330 931 F CB 0.122 39.267 39.000 0.242 0.000 1.047 931 F HN 0.168 nan 8.300 nan 0.000 0.495 932 D N 0.264 120.852 120.400 0.313 0.000 2.371 932 D HA -0.005 4.638 4.640 0.004 0.000 0.221 932 D C 2.261 178.596 176.300 0.059 0.000 0.986 932 D CA 1.014 55.119 54.000 0.175 0.000 0.899 932 D CB -0.531 40.390 40.800 0.201 0.000 0.902 932 D HN 0.479 nan 8.370 nan 0.000 0.530 933 G N 1.152 109.985 108.800 0.055 0.000 2.408 933 G HA2 -0.196 3.766 3.960 0.004 0.000 0.213 933 G HA3 -0.196 3.766 3.960 0.004 0.000 0.213 933 G C 1.424 176.321 174.900 -0.006 0.000 1.177 933 G CA 0.490 45.608 45.100 0.031 0.000 0.802 933 G HN 0.417 nan 8.290 nan 0.000 0.533 934 E N -0.467 119.717 120.200 -0.027 0.000 2.112 934 E HA -0.084 4.269 4.350 0.004 0.000 0.190 934 E C 2.354 178.896 176.600 -0.098 0.000 0.979 934 E CA 0.879 57.250 56.400 -0.049 0.000 0.814 934 E CB -0.792 28.913 29.700 0.008 0.000 0.762 934 E HN 0.260 nan 8.360 nan 0.000 0.460 935 C N 1.252 120.465 119.300 -0.144 0.000 2.410 935 C HA -0.140 4.322 4.460 0.004 0.000 0.281 935 C C 2.803 177.841 174.990 0.080 0.000 1.318 935 C CA 1.567 60.538 59.018 -0.079 0.000 1.776 935 C CB -0.892 26.652 27.740 -0.327 0.000 1.942 935 C HN 0.586 nan 8.230 nan 0.000 0.508 936 Q N 0.271 120.081 119.800 0.017 0.000 2.204 936 Q HA -0.057 4.286 4.340 0.004 0.000 0.198 936 Q C 1.851 177.845 176.000 -0.010 0.000 0.946 936 Q CA 1.602 57.425 55.803 0.033 0.000 0.859 936 Q CB -0.135 28.615 28.738 0.020 0.000 0.946 936 Q HN 0.774 nan 8.270 nan 0.000 0.474 937 S N -0.420 115.258 115.700 -0.037 0.000 2.840 937 S HA 0.164 4.636 4.470 0.004 0.000 0.235 937 S C 1.164 175.698 174.600 -0.110 0.000 0.968 937 S CA -0.177 57.984 58.200 -0.064 0.000 1.026 937 S CB 0.315 63.483 63.200 -0.054 0.000 0.788 937 S HN 0.405 nan 8.310 nan 0.000 0.487 938 L N -0.441 120.709 121.223 -0.121 0.000 2.688 938 L HA 0.340 4.683 4.340 0.004 0.000 0.216 938 L C 2.337 179.050 176.870 -0.262 0.000 1.036 938 L CA 0.325 55.040 54.840 -0.208 0.000 0.906 938 L CB -0.083 41.801 42.059 -0.292 0.000 1.501 938 L HN 0.334 nan 8.230 nan 0.000 0.489 939 E N 0.338 120.428 120.200 -0.183 0.000 2.333 939 E HA -0.153 4.200 4.350 0.004 0.000 0.198 939 E C 1.644 178.017 176.600 -0.378 0.000 1.007 939 E CA 1.197 57.335 56.400 -0.436 0.000 0.845 939 E CB 0.228 29.916 29.700 -0.019 0.000 0.766 939 E HN 0.523 nan 8.360 nan 0.000 0.507 940 G N -0.077 108.598 108.800 -0.208 0.000 2.570 940 G HA2 -0.140 3.822 3.960 0.004 0.000 0.209 940 G HA3 -0.140 3.822 3.960 0.004 0.000 0.209 940 G C 1.363 176.181 174.900 -0.137 0.000 1.168 940 G CA 0.070 45.078 45.100 -0.152 0.000 0.831 940 G HN 0.152 nan 8.290 nan 0.000 0.564 941 Q N 0.783 120.503 119.800 -0.133 0.000 2.020 941 Q HA -0.079 4.263 4.340 0.004 0.000 0.202 941 Q C 3.004 178.929 176.000 -0.125 0.000 0.982 941 Q CA 1.717 57.452 55.803 -0.115 0.000 0.838 941 Q CB -0.221 28.449 28.738 -0.113 0.000 0.899 941 Q HN 0.397 nan 8.270 nan 0.000 0.423 942 S N 1.405 117.005 115.700 -0.167 0.000 2.359 942 S HA -0.219 4.253 4.470 0.004 0.000 0.222 942 S C 1.627 176.173 174.600 -0.090 0.000 1.038 942 S CA 1.456 59.561 58.200 -0.157 0.000 1.051 942 S CB -0.639 62.439 63.200 -0.204 0.000 0.944 942 S HN 0.428 nan 8.310 nan 0.000 0.433 943 N N 0.574 119.234 118.700 -0.067 0.000 2.430 943 N HA -0.067 4.676 4.740 0.004 0.000 0.186 943 N C 1.401 176.912 175.510 0.002 0.000 1.032 943 N CA 0.836 53.914 53.050 0.047 0.000 0.893 943 N CB -0.060 38.417 38.487 -0.016 0.000 0.957 943 N HN 0.248 nan 8.380 nan 0.000 0.442 944 S N 0.052 115.727 115.700 -0.043 0.000 2.439 944 S HA 0.006 4.478 4.470 0.004 0.000 0.224 944 S C 0.974 175.557 174.600 -0.028 0.000 1.029 944 S CA 0.213 58.394 58.200 -0.031 0.000 0.946 944 S CB 0.156 63.331 63.200 -0.043 0.000 0.797 944 S HN 0.374 nan 8.310 nan 0.000 0.504 945 D N 2.046 122.416 120.400 -0.051 0.000 2.077 945 D HA -0.025 4.618 4.640 0.004 0.000 0.196 945 D C 1.996 178.276 176.300 -0.034 0.000 0.986 945 D CA 0.861 54.829 54.000 -0.053 0.000 0.829 945 D CB -0.661 40.087 40.800 -0.087 0.000 0.983 945 D HN 0.277 nan 8.370 nan 0.000 0.453 946 L N 0.594 121.774 121.223 -0.073 0.000 2.021 946 L HA -0.211 4.132 4.340 0.004 0.000 0.215 946 L C 2.718 179.659 176.870 0.118 0.000 1.074 946 L CA 0.933 55.746 54.840 -0.044 0.000 0.760 946 L CB -0.569 41.367 42.059 -0.206 0.000 0.889 946 L HN 0.035 nan 8.230 nan 0.000 0.433 947 L N -0.905 120.360 121.223 0.070 0.000 2.079 947 L HA -0.263 4.079 4.340 0.004 0.000 0.210 947 L C 2.851 179.754 176.870 0.055 0.000 1.081 947 L CA 1.540 56.423 54.840 0.072 0.000 0.752 947 L CB -0.428 41.659 42.059 0.046 0.000 0.896 947 L HN 0.302 nan 8.230 nan 0.000 0.433 948 S N -0.228 115.493 115.700 0.035 0.000 2.402 948 S HA -0.099 4.374 4.470 0.004 0.000 0.229 948 S C 1.877 176.495 174.600 0.029 0.000 1.021 948 S CA 0.870 59.082 58.200 0.021 0.000 0.974 948 S CB -0.143 63.059 63.200 0.004 0.000 0.800 948 S HN 0.329 nan 8.310 nan 0.000 0.484 949 I N 0.919 121.525 120.570 0.061 0.000 2.406 949 I HA -0.086 4.087 4.170 0.004 0.000 0.249 949 I C 2.046 178.186 176.117 0.038 0.000 1.122 949 I CA 0.739 62.080 61.300 0.067 0.000 1.431 949 I CB -0.216 37.884 38.000 0.166 0.000 1.087 949 I HN 0.299 nan 8.210 nan 0.000 0.424 950 L N 0.552 121.814 121.223 0.065 0.000 2.083 950 L HA -0.177 4.166 4.340 0.004 0.000 0.209 950 L C 2.808 179.687 176.870 0.014 0.000 1.083 950 L CA 1.326 56.177 54.840 0.018 0.000 0.752 950 L CB -0.684 41.403 42.059 0.047 0.000 0.899 950 L HN 0.231 nan 8.230 nan 0.000 0.433 951 A N -0.800 122.032 122.820 0.020 0.000 1.969 951 A HA -0.214 4.109 4.320 0.004 0.000 0.218 951 A C 2.207 179.793 177.584 0.004 0.000 1.169 951 A CA 1.241 53.285 52.037 0.012 0.000 0.635 951 A CB -0.317 18.690 19.000 0.012 0.000 0.810 951 A HN 0.433 nan 8.150 nan 0.000 0.445 952 Q N -0.650 119.148 119.800 -0.002 0.000 2.123 952 Q HA 0.024 4.367 4.340 0.004 0.000 0.199 952 Q C 1.962 177.950 176.000 -0.020 0.000 0.966 952 Q CA 1.033 56.828 55.803 -0.014 0.000 0.845 952 Q CB -0.175 28.550 28.738 -0.021 0.000 0.907 952 Q HN 0.690 nan 8.270 nan 0.000 0.439 953 L N -0.380 120.827 121.223 -0.026 0.000 2.093 953 L HA -0.139 4.204 4.340 0.004 0.000 0.208 953 L C 2.133 179.034 176.870 0.052 0.000 1.085 953 L CA 1.073 55.904 54.840 -0.016 0.000 0.755 953 L CB -0.331 41.708 42.059 -0.033 0.000 0.904 953 L HN 0.200 nan 8.230 nan 0.000 0.435 954 T N -1.336 113.240 114.554 0.036 0.000 3.007 954 T HA -0.176 4.176 4.350 0.004 0.000 0.270 954 T C 1.665 176.376 174.700 0.018 0.000 1.107 954 T CA 0.913 63.032 62.100 0.031 0.000 1.118 954 T CB -0.029 68.848 68.868 0.016 0.000 0.889 954 T HN 0.323 nan 8.240 nan 0.000 0.506 955 E N 0.274 120.481 120.200 0.011 0.000 2.318 955 E HA 0.149 4.502 4.350 0.004 0.000 0.193 955 E C 1.278 177.881 176.600 0.005 0.000 0.998 955 E CA 0.236 56.638 56.400 0.003 0.000 0.859 955 E CB 0.096 29.793 29.700 -0.004 0.000 0.812 955 E HN 0.421 nan 8.360 nan 0.000 0.492 956 L N 0.808 122.040 121.223 0.014 0.000 2.653 956 L HA 0.171 4.514 4.340 0.004 0.000 0.231 956 L C 0.003 176.899 176.870 0.044 0.000 1.153 956 L CA -0.190 54.660 54.840 0.018 0.000 0.933 956 L CB -0.013 42.049 42.059 0.005 0.000 1.175 956 L HN 0.083 nan 8.230 nan 0.000 0.473 957 N N -0.411 118.314 118.700 0.041 0.000 2.725 957 N HA -0.290 4.452 4.740 0.004 0.000 0.249 957 N C -0.067 175.478 175.510 0.059 0.000 1.103 957 N CA 0.669 53.738 53.050 0.032 0.000 0.707 957 N CB -1.516 36.975 38.487 0.008 0.000 1.043 957 N HN 0.358 nan 8.380 nan 0.000 0.553 958 Y N 3.370 123.641 120.300 -0.048 0.000 2.601 958 Y HA 0.023 4.575 4.550 0.004 0.000 0.350 958 Y C 1.639 177.504 175.900 -0.059 0.000 1.230 958 Y CA -0.482 57.584 58.100 -0.056 0.000 1.733 958 Y CB -0.403 38.015 38.460 -0.069 0.000 1.497 958 Y HN 0.142 nan 8.280 nan 0.000 0.472 959 N N 1.939 120.472 118.700 -0.278 0.000 2.659 959 N HA -0.137 4.605 4.740 0.004 0.000 0.194 959 N C 1.239 176.498 175.510 -0.418 0.000 1.140 959 N CA 0.949 53.833 53.050 -0.276 0.000 0.936 959 N CB -0.346 38.024 38.487 -0.194 0.000 0.970 959 N HN 0.742 nan 8.380 nan 0.000 0.449 960 G N -0.095 108.181 108.800 -0.873 0.000 3.383 960 G HA2 0.224 4.187 3.960 0.004 0.000 0.251 960 G HA3 0.224 4.187 3.960 0.004 0.000 0.251 960 G C 1.200 175.883 174.900 -0.362 0.000 1.203 960 G CA -0.256 44.403 45.100 -0.736 0.000 0.852 960 G HN 0.175 nan 8.290 nan 0.000 0.531 961 V N 1.571 121.358 119.914 -0.212 0.000 2.237 961 V HA -0.101 4.022 4.120 0.004 0.000 0.245 961 V C 0.507 176.562 176.094 -0.064 0.000 1.046 961 V CA 1.954 64.219 62.300 -0.059 0.000 1.007 961 V CB -0.939 30.869 31.823 -0.025 0.000 0.638 961 V HN 0.227 nan 8.190 nan 0.000 0.445 962 P HA -0.202 nan 4.420 nan 0.000 0.216 962 P C 1.519 178.795 177.300 -0.039 0.000 1.154 962 P CA 1.615 64.689 63.100 -0.044 0.000 0.865 962 P CB -0.077 31.595 31.700 -0.047 0.000 0.789 963 E N -1.016 119.149 120.200 -0.058 0.000 2.204 963 E HA -0.130 4.222 4.350 0.004 0.000 0.195 963 E C 1.930 178.511 176.600 -0.030 0.000 0.990 963 E CA 0.743 57.118 56.400 -0.043 0.000 0.821 963 E CB -0.498 29.167 29.700 -0.058 0.000 0.750 963 E HN 0.287 nan 8.360 nan 0.000 0.477 964 L N 0.295 121.485 121.223 -0.055 0.000 2.127 964 L HA -0.080 4.263 4.340 0.004 0.000 0.203 964 L C 2.384 179.253 176.870 -0.002 0.000 1.080 964 L CA 1.004 55.791 54.840 -0.089 0.000 0.768 964 L CB -0.423 41.458 42.059 -0.297 0.000 0.924 964 L HN 0.167 nan 8.230 nan 0.000 0.444 965 T N -0.339 114.214 114.554 -0.001 0.000 2.622 965 T HA -0.206 4.147 4.350 0.004 0.000 0.266 965 T C 1.638 176.360 174.700 0.036 0.000 1.047 965 T CA 1.539 63.662 62.100 0.038 0.000 1.159 965 T CB -0.274 68.609 68.868 0.024 0.000 0.863 965 T HN 0.373 nan 8.240 nan 0.000 0.422 966 E N 0.914 121.128 120.200 0.023 0.000 2.065 966 E HA -0.244 4.108 4.350 0.004 0.000 0.201 966 E C 2.409 179.027 176.600 0.029 0.000 1.016 966 E CA 1.171 57.586 56.400 0.025 0.000 0.818 966 E CB -0.255 29.456 29.700 0.018 0.000 0.749 966 E HN 0.341 nan 8.360 nan 0.000 0.453 967 R N 1.338 121.857 120.500 0.033 0.000 2.117 967 R HA -0.221 4.122 4.340 0.004 0.000 0.243 967 R C 2.275 178.575 176.300 -0.000 0.000 1.143 967 R CA 1.815 57.937 56.100 0.037 0.000 0.968 967 R CB -0.036 30.300 30.300 0.060 0.000 0.863 967 R HN 0.033 nan 8.270 nan 0.000 0.444 968 K N 0.118 120.510 120.400 -0.014 0.000 1.980 968 K HA -0.128 4.194 4.320 0.004 0.000 0.208 968 K C 1.521 178.008 176.600 -0.188 0.000 1.043 968 K CA 1.803 57.991 56.287 -0.165 0.000 0.938 968 K CB -0.107 32.353 32.500 -0.066 0.000 0.724 968 K HN 0.134 nan 8.250 nan 0.000 0.438 969 D N 0.343 120.724 120.400 -0.031 0.000 2.280 969 D HA -0.148 4.495 4.640 0.004 0.000 0.206 969 D C 1.629 177.972 176.300 0.072 0.000 0.988 969 D CA 1.171 55.202 54.000 0.052 0.000 0.886 969 D CB -0.143 40.701 40.800 0.072 0.000 0.914 969 D HN 0.339 nan 8.370 nan 0.000 0.473 970 T N 0.320 114.904 114.554 0.049 0.000 2.643 970 T HA -0.121 4.231 4.350 0.004 0.000 0.256 970 T C 1.661 176.433 174.700 0.120 0.000 1.061 970 T CA 0.410 62.560 62.100 0.083 0.000 1.163 970 T CB -0.605 68.311 68.868 0.082 0.000 0.865 970 T HN 0.033 nan 8.240 nan 0.000 0.407 971 F N 1.580 121.475 119.950 -0.093 0.000 2.063 971 F HA -0.189 4.340 4.527 0.004 0.000 0.297 971 F C 1.259 177.163 175.800 0.173 0.000 1.099 971 F CA 1.458 59.418 58.000 -0.066 0.000 1.220 971 F CB -0.663 38.121 39.000 -0.361 0.000 0.972 971 F HN 0.226 nan 8.300 nan 0.000 0.487 972 F N -0.684 119.414 119.950 0.246 0.000 2.818 972 F HA 0.309 4.838 4.527 0.004 0.000 0.303 972 F C 1.018 176.913 175.800 0.158 0.000 1.250 972 F CA 0.016 58.131 58.000 0.190 0.000 1.409 972 F CB -0.542 38.515 39.000 0.096 0.000 1.183 972 F HN 0.145 nan 8.300 nan 0.000 0.534 973 A N -0.751 122.236 122.820 0.278 0.000 2.487 973 A HA 0.055 4.377 4.320 0.004 0.000 0.192 973 A C 0.688 178.336 177.584 0.107 0.000 1.709 973 A CA -0.241 51.900 52.037 0.174 0.000 1.105 973 A CB -0.044 19.045 19.000 0.147 0.000 1.081 973 A HN 0.402 nan 8.150 nan 0.000 0.445 974 Q N -0.561 119.288 119.800 0.080 0.000 2.489 974 Q HA 0.232 4.574 4.340 0.004 0.000 0.202 974 Q C 1.340 177.312 176.000 -0.048 0.000 0.853 974 Q CA 0.237 56.048 55.803 0.014 0.000 0.539 974 Q CB 0.086 28.829 28.738 0.010 0.000 3.308 974 Q HN 0.453 nan 8.270 nan 0.000 0.362 975 Q N 0.097 119.776 119.800 -0.203 0.000 2.050 975 Q HA -0.178 4.165 4.340 0.004 0.000 0.202 975 Q C 1.798 177.721 176.000 -0.129 0.000 0.980 975 Q CA 1.523 57.174 55.803 -0.254 0.000 0.840 975 Q CB -0.170 28.250 28.738 -0.530 0.000 0.898 975 Q HN 0.543 nan 8.270 nan 0.000 0.424 976 W N 1.462 122.546 121.300 -0.360 0.000 2.332 976 W HA -0.204 4.459 4.660 0.004 0.000 0.321 976 W C 2.269 178.810 176.519 0.035 0.000 1.219 976 W CA 2.136 59.457 57.345 -0.039 0.000 1.277 976 W CB -0.252 29.334 29.460 0.211 0.000 1.161 976 W HN 0.264 nan 8.180 nan 0.000 0.476 977 T N -1.803 112.872 114.554 0.202 0.000 2.946 977 T HA -0.083 4.270 4.350 0.004 0.000 0.271 977 T C 1.766 176.468 174.700 0.004 0.000 1.104 977 T CA 1.287 63.443 62.100 0.094 0.000 1.114 977 T CB -1.002 67.935 68.868 0.115 0.000 0.867 977 T HN 0.157 nan 8.240 nan 0.000 0.513 978 G N 2.476 111.266 108.800 -0.018 0.000 2.637 978 G HA2 -0.165 3.798 3.960 0.004 0.000 0.215 978 G HA3 -0.165 3.798 3.960 0.004 0.000 0.215 978 G C 1.763 176.616 174.900 -0.079 0.000 1.289 978 G CA 1.855 46.928 45.100 -0.045 0.000 0.816 978 G HN 0.668 nan 8.290 nan 0.000 0.580 979 V N -0.004 119.839 119.914 -0.118 0.000 2.278 979 V HA -0.295 3.828 4.120 0.004 0.000 0.251 979 V C 2.492 178.523 176.094 -0.106 0.000 1.062 979 V CA 2.808 65.030 62.300 -0.130 0.000 1.038 979 V CB -1.033 30.701 31.823 -0.147 0.000 0.646 979 V HN 0.411 nan 8.190 nan 0.000 0.447 980 K N 1.753 122.067 120.400 -0.145 0.000 2.015 980 K HA -0.226 4.096 4.320 0.004 0.000 0.216 980 K C 2.635 179.219 176.600 -0.027 0.000 1.052 980 K CA 2.681 58.928 56.287 -0.067 0.000 0.937 980 K CB -0.683 31.771 32.500 -0.076 0.000 0.719 980 K HN 0.797 nan 8.250 nan 0.000 0.446 981 S N 0.709 116.390 115.700 -0.032 0.000 2.348 981 S HA -0.203 4.270 4.470 0.004 0.000 0.221 981 S C 2.227 176.801 174.600 -0.043 0.000 1.033 981 S CA 1.747 59.933 58.200 -0.023 0.000 1.010 981 S CB -0.712 62.478 63.200 -0.017 0.000 0.891 981 S HN 0.284 nan 8.310 nan 0.000 0.442 982 S N 2.134 117.795 115.700 -0.064 0.000 2.413 982 S HA -0.189 4.283 4.470 0.004 0.000 0.237 982 S C 2.032 176.562 174.600 -0.117 0.000 1.044 982 S CA 1.563 59.708 58.200 -0.093 0.000 1.024 982 S CB -1.108 62.021 63.200 -0.118 0.000 0.829 982 S HN 0.837 nan 8.310 nan 0.000 0.475 983 A N 0.939 123.690 122.820 -0.116 0.000 1.883 983 A HA -0.140 4.183 4.320 0.004 0.000 0.217 983 A C 1.980 179.531 177.584 -0.055 0.000 1.186 983 A CA 1.761 53.717 52.037 -0.135 0.000 0.624 983 A CB -0.856 18.115 19.000 -0.047 0.000 0.822 983 A HN 0.733 nan 8.150 nan 0.000 0.444 984 E N -0.901 119.280 120.200 -0.032 0.000 2.049 984 E HA -0.180 4.173 4.350 0.004 0.000 0.198 984 E C 2.088 178.668 176.600 -0.033 0.000 1.007 984 E CA 1.716 58.100 56.400 -0.027 0.000 0.809 984 E CB -0.510 29.179 29.700 -0.019 0.000 0.749 984 E HN 0.576 nan 8.360 nan 0.000 0.450 985 T N 0.356 114.892 114.554 -0.031 0.000 2.714 985 T HA -0.262 4.090 4.350 0.004 0.000 0.268 985 T C 1.511 176.212 174.700 0.001 0.000 1.036 985 T CA 1.647 63.732 62.100 -0.025 0.000 1.148 985 T CB -0.440 68.407 68.868 -0.034 0.000 0.856 985 T HN 0.350 nan 8.240 nan 0.000 0.462 986 Y N 1.088 121.284 120.300 -0.173 0.000 2.220 986 Y HA -0.028 4.524 4.550 0.004 0.000 0.291 986 Y C 2.640 178.445 175.900 -0.158 0.000 1.129 986 Y CA 1.305 59.280 58.100 -0.208 0.000 1.161 986 Y CB 0.033 38.289 38.460 -0.339 0.000 0.997 986 Y HN 0.014 nan 8.280 nan 0.000 0.522 987 K N 0.313 120.609 120.400 -0.174 0.000 2.001 987 K HA -0.181 4.142 4.320 0.004 0.000 0.208 987 K C 1.374 177.874 176.600 -0.167 0.000 1.048 987 K CA 1.572 57.729 56.287 -0.216 0.000 0.932 987 K CB -0.205 32.232 32.500 -0.105 0.000 0.715 987 K HN 0.328 nan 8.250 nan 0.000 0.437 988 N N 0.257 118.895 118.700 -0.103 0.000 2.635 988 N HA -0.081 4.662 4.740 0.004 0.000 0.191 988 N C 0.968 176.427 175.510 -0.085 0.000 1.155 988 N CA 0.918 53.922 53.050 -0.078 0.000 0.927 988 N CB 0.168 38.626 38.487 -0.050 0.000 0.976 988 N HN 0.244 nan 8.380 nan 0.000 0.448 989 T N 0.162 114.645 114.554 -0.118 0.000 3.042 989 T HA 0.250 4.602 4.350 0.004 0.000 0.245 989 T C 2.040 176.651 174.700 -0.148 0.000 1.029 989 T CA -0.134 61.902 62.100 -0.107 0.000 1.120 989 T CB 0.473 69.295 68.868 -0.076 0.000 0.917 989 T HN 0.050 nan 8.240 nan 0.000 0.467 990 L N 0.843 121.915 121.223 -0.251 0.000 2.072 990 L HA 0.087 4.430 4.340 0.004 0.000 0.205 990 L C 2.302 179.077 176.870 -0.159 0.000 1.079 990 L CA 0.962 55.647 54.840 -0.258 0.000 0.752 990 L CB -0.491 41.315 42.059 -0.422 0.000 0.906 990 L HN 0.235 nan 8.230 nan 0.000 0.436 991 L N -0.398 120.740 121.223 -0.141 0.000 2.046 991 L HA -0.214 4.129 4.340 0.004 0.000 0.208 991 L C 2.824 179.654 176.870 -0.068 0.000 1.077 991 L CA 1.275 56.060 54.840 -0.091 0.000 0.747 991 L CB -0.706 41.307 42.059 -0.077 0.000 0.896 991 L HN 0.249 nan 8.230 nan 0.000 0.432 992 A N -0.221 122.558 122.820 -0.068 0.000 1.840 992 A HA -0.229 4.094 4.320 0.004 0.000 0.214 992 A C 2.208 179.766 177.584 -0.043 0.000 1.198 992 A CA 1.426 53.434 52.037 -0.048 0.000 0.608 992 A CB -0.611 18.363 19.000 -0.044 0.000 0.839 992 A HN 0.401 nan 8.150 nan 0.000 0.443 993 E N -0.473 119.696 120.200 -0.051 0.000 2.333 993 E HA -0.197 4.155 4.350 0.004 0.000 0.200 993 E C 1.742 178.322 176.600 -0.033 0.000 1.010 993 E CA 1.145 57.521 56.400 -0.039 0.000 0.841 993 E CB -0.185 29.488 29.700 -0.045 0.000 0.757 993 E HN 0.658 nan 8.360 nan 0.000 0.508 994 L N -0.230 120.968 121.223 -0.041 0.000 2.189 994 L HA -0.003 4.339 4.340 0.004 0.000 0.199 994 L C 1.955 178.812 176.870 -0.021 0.000 1.074 994 L CA 0.842 55.663 54.840 -0.031 0.000 0.783 994 L CB -0.075 41.959 42.059 -0.042 0.000 0.955 994 L HN -0.013 nan 8.230 nan 0.000 0.460 995 E N 0.282 120.467 120.200 -0.025 0.000 2.058 995 E HA -0.233 4.119 4.350 0.004 0.000 0.194 995 E C 1.189 177.783 176.600 -0.009 0.000 0.997 995 E CA 1.133 57.523 56.400 -0.017 0.000 0.801 995 E CB -0.065 29.623 29.700 -0.021 0.000 0.746 995 E HN 0.335 nan 8.360 nan 0.000 0.450 996 R N 0.503 120.996 120.500 -0.011 0.000 4.394 996 R HA 0.227 4.570 4.340 0.004 0.000 0.257 996 R C 0.717 177.018 176.300 0.001 0.000 1.727 996 R CA -0.020 56.077 56.100 -0.004 0.000 1.497 996 R CB 0.071 30.366 30.300 -0.009 0.000 1.406 996 R HN 0.192 nan 8.270 nan 0.000 0.745 997 L N -1.564 119.663 121.223 0.007 0.000 2.726 997 L HA 0.021 4.364 4.340 0.004 0.000 0.287 997 L C 1.321 178.206 176.870 0.025 0.000 1.047 997 L CA 0.168 55.017 54.840 0.015 0.000 1.304 997 L CB 0.320 42.383 42.059 0.006 0.000 2.440 997 L HN 0.144 nan 8.230 nan 0.000 0.569 998 Q N 0.918 120.727 119.800 0.016 0.000 2.378 998 Q HA -0.096 4.246 4.340 0.004 0.000 0.205 998 Q C 1.699 177.718 176.000 0.031 0.000 0.954 998 Q CA 1.454 57.269 55.803 0.020 0.000 0.901 998 Q CB 0.110 28.852 28.738 0.006 0.000 0.981 998 Q HN 0.271 nan 8.270 nan 0.000 0.483 999 K N -0.353 120.064 120.400 0.029 0.000 2.103 999 K HA -0.014 4.309 4.320 0.004 0.000 0.204 999 K C 1.805 178.441 176.600 0.060 0.000 1.052 999 K CA 1.144 57.452 56.287 0.035 0.000 0.945 999 K CB -0.015 32.498 32.500 0.022 0.000 0.722 999 K HN 0.291 nan 8.250 nan 0.000 0.443 1000 I N 0.525 121.135 120.570 0.067 0.000 2.133 1000 I HA -0.239 3.934 4.170 0.004 0.000 0.238 1000 I C 2.233 178.451 176.117 0.169 0.000 1.074 1000 I CA 1.179 62.540 61.300 0.102 0.000 1.342 1000 I CB -0.284 37.769 38.000 0.088 0.000 1.053 1000 I HN 0.115 nan 8.210 nan 0.000 0.404 1001 E N 0.971 121.251 120.200 0.132 0.000 2.333 1001 E HA -0.281 4.071 4.350 0.004 0.000 0.200 1001 E C 1.439 178.112 176.600 0.121 0.000 1.010 1001 E CA 1.485 57.949 56.400 0.106 0.000 0.841 1001 E CB -0.093 29.636 29.700 0.048 0.000 0.757 1001 E HN 0.447 nan 8.360 nan 0.000 0.508 1002 D N -1.243 119.228 120.400 0.117 0.000 2.202 1002 D HA 0.012 4.654 4.640 0.004 0.000 0.214 1002 D C 1.632 178.033 176.300 0.168 0.000 0.967 1002 D CA 0.760 54.821 54.000 0.101 0.000 0.871 1002 D CB 0.076 40.906 40.800 0.050 0.000 1.020 1002 D HN 0.214 nan 8.370 nan 0.000 0.474 1003 L N -0.503 120.827 121.223 0.178 0.000 2.376 1003 L HA 0.004 4.347 4.340 0.004 0.000 0.219 1003 L C 2.150 179.225 176.870 0.341 0.000 1.133 1003 L CA 0.749 55.720 54.840 0.218 0.000 0.816 1003 L CB -0.483 41.652 42.059 0.127 0.000 0.933 1003 L HN 0.298 nan 8.230 nan 0.000 0.449 1004 H N -1.244 117.943 119.070 0.195 0.000 2.497 1004 H HA -0.122 4.436 4.556 0.004 0.000 0.282 1004 H C 2.217 177.673 175.328 0.213 0.000 1.003 1004 H CA 0.331 56.507 56.048 0.213 0.000 1.307 1004 H CB 0.363 30.198 29.762 0.122 0.000 1.437 1004 H HN 0.266 nan 8.280 nan 0.000 0.544 1005 H N 0.136 119.267 119.070 0.101 0.000 2.543 1005 H HA -0.130 4.429 4.556 0.004 0.000 0.286 1005 H C 1.323 176.692 175.328 0.069 0.000 1.037 1005 H CA 0.857 56.879 56.048 -0.043 0.000 1.250 1005 H CB -0.295 29.414 29.762 -0.088 0.000 1.373 1005 H HN 0.512 nan 8.280 nan 0.000 0.580 1006 H N 0.270 119.516 119.070 0.294 0.000 2.562 1006 H HA -0.078 4.481 4.556 0.004 0.000 0.272 1006 H C 1.831 177.120 175.328 -0.065 0.000 1.019 1006 H CA 0.761 56.956 56.048 0.245 0.000 1.160 1006 H CB -0.099 29.815 29.762 0.254 0.000 1.334 1006 H HN 0.623 nan 8.280 nan 0.000 0.611 1007 H N -0.847 118.034 119.070 -0.316 0.000 2.545 1007 H HA -0.114 4.445 4.556 0.004 0.000 0.282 1007 H C 1.322 176.471 175.328 -0.298 0.000 1.020 1007 H CA 0.896 56.427 56.048 -0.863 0.000 1.243 1007 H CB -0.375 29.276 29.762 -0.184 0.000 1.377 1007 H HN 0.327 nan 8.280 nan 0.000 0.581 1008 H N -0.139 118.965 119.070 0.057 0.000 2.489 1008 H HA -0.058 4.500 4.556 0.004 0.000 0.295 1008 H C 0.984 176.129 175.328 -0.306 0.000 1.082 1008 H CA 2.098 58.109 56.048 -0.061 0.000 1.295 1008 H CB 0.229 30.071 29.762 0.134 0.000 1.380 1008 H HN 0.606 nan 8.280 nan 0.000 0.548 1009 H N -3.007 116.042 119.070 -0.034 0.000 2.534 1009 H HA 0.208 4.767 4.556 0.004 0.000 0.201 1009 H C 0.427 175.825 175.328 0.117 0.000 1.042 1009 H CA 0.352 56.431 56.048 0.053 0.000 1.315 1009 H CB -0.077 29.795 29.762 0.184 0.000 1.268 1009 H HN 0.059 nan 8.280 nan 0.000 0.474 1010 H N 0.000 119.257 119.070 0.311 0.000 2.539 1010 H HA 0.000 4.559 4.556 0.004 0.000 0.296 1010 H CA 0.000 56.150 56.048 0.171 0.000 1.023 1010 H CB 0.000 29.840 29.762 0.131 0.000 1.292 1010 H HN 0.000 nan 8.280 nan 0.000 0.496