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 1f8r_1_B DATA FIRST_RESID 4 DATA SEQUENCE RNPLAEcFQE NDYEEFLEIA RNGLKATSNP KHVVIVGAGM AGLSAAYVLA DATA SEQUENCE GAGHQVTVLE ASERPGGRVR TYRNEEAGWY ANLGPMRLPE KHRIVREYIR DATA SEQUENCE KFDLRLNEFS QENDNAWYFI KNIRKKVGEV KKDPGLLKYP VKPSEAGKSA DATA SEQUENCE GQLYEESLGK VVEELKRTNc SYILNKYDTY STKEYLIKEG DLSPGAVDMI DATA SEQUENCE GDLLNEDSGY YVSFIESLKH DDIFAYEKRF DEIVDGMDKL PTAMYRDIQD DATA SEQUENCE KVHFNAQVIK IQQNDQKVTV VYETLSKETP SVTADYVIVC TTSRAVRLIK DATA SEQUENCE FNPPLLPKKA HALRSVHYRS GTKIFLTcTT KFWEDDGIHG GKSTTDLPSR DATA SEQUENCE FIYYPNHNFT NGVGVIIAYG IGDDANFFQA LDFKDCADIV FNDLSLIHQL DATA SEQUENCE PKKDIQSFcY PSVIQKWSLD KYAMGGITTF TPYQFQHFSD PLTASQGRIY DATA SEQUENCE FAGEYTAQAH GWIDSTIKSG LRAARDVNLA SEN 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.211 176.300 -0.148 0.000 0.893 4 R CA 0.000 56.111 56.100 0.018 0.000 0.921 4 R CB 0.000 30.280 30.300 -0.033 0.000 0.687 5 N N 4.169 122.466 118.700 -0.672 0.000 2.431 5 N HA 0.148 4.888 4.740 -0.000 0.000 0.265 5 N C -1.077 174.245 175.510 -0.314 0.000 1.184 5 N CA -1.665 50.858 53.050 -0.880 0.000 0.943 5 N CB 1.681 39.417 38.487 -1.252 0.000 1.080 5 N HN 0.496 nan 8.380 nan 0.000 0.477 6 P HA -0.104 nan 4.420 nan 0.000 0.225 6 P C 0.775 178.014 177.300 -0.101 0.000 1.148 6 P CA 1.061 64.111 63.100 -0.085 0.000 0.779 6 P CB 0.416 32.100 31.700 -0.027 0.000 0.780 7 L N -1.603 119.555 121.223 -0.109 0.000 2.640 7 L HA 0.259 4.599 4.340 -0.000 0.000 0.230 7 L C 2.522 179.289 176.870 -0.173 0.000 1.123 7 L CA 0.218 54.980 54.840 -0.130 0.000 0.900 7 L CB -0.656 41.394 42.059 -0.016 0.000 1.146 7 L HN -0.141 nan 8.230 nan 0.000 0.484 8 A N 1.014 123.750 122.820 -0.139 0.000 1.915 8 A HA -0.296 4.024 4.320 -0.000 0.000 0.220 8 A C 2.132 179.630 177.584 -0.144 0.000 1.198 8 A CA 2.189 54.157 52.037 -0.115 0.000 0.647 8 A CB -0.431 18.466 19.000 -0.170 0.000 0.825 8 A HN 0.498 nan 8.150 nan 0.000 0.456 9 E N -1.087 119.010 120.200 -0.171 0.000 2.130 9 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 9 E C 1.947 178.406 176.600 -0.236 0.000 0.998 9 E CA 1.439 57.739 56.400 -0.167 0.000 0.806 9 E CB -0.438 29.179 29.700 -0.139 0.000 0.738 9 E HN 0.749 nan 8.360 nan 0.000 0.459 10 c N -0.000 118.352 118.600 -0.413 0.000 2.472 10 c HA -0.032 4.538 4.570 -0.000 0.000 0.278 10 c C 1.094 174.762 174.090 -0.703 0.000 1.447 10 c CA -0.047 55.916 56.329 -0.609 0.000 1.773 10 c CB -0.955 41.039 42.510 -0.861 0.000 1.793 10 c HN 0.217 nan 8.230 nan 0.000 0.544 11 F N 0.882 120.752 119.950 -0.134 0.000 2.923 11 F HA 0.306 4.833 4.527 -0.000 0.000 0.314 11 F C 0.668 176.377 175.800 -0.153 0.000 1.196 11 F CA -0.401 57.511 58.000 -0.147 0.000 1.320 11 F CB -0.631 38.274 39.000 -0.158 0.000 0.953 11 F HN 0.257 nan 8.300 nan 0.000 0.505 12 Q N 0.637 120.416 119.800 -0.035 0.000 2.230 12 Q HA 0.259 4.599 4.340 -0.000 0.000 0.253 12 Q C 0.033 176.005 176.000 -0.045 0.000 0.919 12 Q CA -0.811 54.944 55.803 -0.080 0.000 0.908 12 Q CB 1.727 30.417 28.738 -0.080 0.000 1.245 12 Q HN 0.146 nan 8.270 nan 0.000 0.437 13 E N 1.933 122.086 120.200 -0.077 0.000 2.360 13 E HA -0.009 4.341 4.350 -0.000 0.000 0.269 13 E C -0.362 176.328 176.600 0.150 0.000 1.022 13 E CA -0.118 56.315 56.400 0.055 0.000 0.887 13 E CB 0.490 30.290 29.700 0.167 0.000 0.990 13 E HN 0.435 nan 8.360 nan 0.000 0.426 14 N N 2.375 121.166 118.700 0.153 0.000 2.458 14 N HA -0.103 4.637 4.740 -0.000 0.000 0.258 14 N C -0.559 175.119 175.510 0.280 0.000 1.219 14 N CA 0.266 53.420 53.050 0.172 0.000 0.902 14 N CB 0.335 38.914 38.487 0.154 0.000 1.076 14 N HN 0.269 nan 8.380 nan 0.000 0.455 15 D N 1.393 121.911 120.400 0.197 0.000 2.792 15 D HA -0.277 4.363 4.640 -0.000 0.000 0.231 15 D C 0.283 176.727 176.300 0.240 0.000 1.160 15 D CA 0.524 54.608 54.000 0.139 0.000 0.697 15 D CB -1.439 39.377 40.800 0.026 0.000 1.070 15 D HN 0.596 nan 8.370 nan 0.000 0.426 16 Y N 0.816 121.205 120.300 0.149 0.000 2.151 16 Y HA -0.284 4.266 4.550 -0.000 0.000 0.284 16 Y C 2.155 178.112 175.900 0.097 0.000 1.166 16 Y CA 2.195 60.388 58.100 0.156 0.000 1.163 16 Y CB 0.193 38.696 38.460 0.072 0.000 0.974 16 Y HN 0.019 nan 8.280 nan 0.000 0.511 17 E N 0.423 120.688 120.200 0.109 0.000 2.049 17 E HA -0.248 4.101 4.350 -0.000 0.000 0.198 17 E C 2.057 178.594 176.600 -0.105 0.000 1.007 17 E CA 1.939 58.335 56.400 -0.008 0.000 0.809 17 E CB -0.325 29.378 29.700 0.006 0.000 0.749 17 E HN 0.684 nan 8.360 nan 0.000 0.450 18 E N -0.399 119.706 120.200 -0.158 0.000 2.077 18 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 18 E C 2.008 178.399 176.600 -0.348 0.000 0.989 18 E CA 0.957 57.182 56.400 -0.292 0.000 0.800 18 E CB -0.259 29.179 29.700 -0.435 0.000 0.746 18 E HN 0.198 nan 8.360 nan 0.000 0.452 19 F N 0.478 120.356 119.950 -0.120 0.000 2.325 19 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 19 F C 2.060 177.730 175.800 -0.217 0.000 1.090 19 F CA 0.384 58.298 58.000 -0.144 0.000 1.392 19 F CB -0.228 38.689 39.000 -0.138 0.000 1.053 19 F HN 0.080 nan 8.300 nan 0.000 0.521 20 L N 0.559 121.677 121.223 -0.175 0.000 2.093 20 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 20 L C 2.242 179.020 176.870 -0.155 0.000 1.085 20 L CA 1.869 56.567 54.840 -0.236 0.000 0.755 20 L CB -1.193 40.700 42.059 -0.276 0.000 0.904 20 L HN 0.111 nan 8.230 nan 0.000 0.435 21 E N 0.126 120.248 120.200 -0.129 0.000 2.077 21 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 21 E C 2.205 178.752 176.600 -0.089 0.000 0.989 21 E CA 1.552 57.887 56.400 -0.108 0.000 0.800 21 E CB -0.342 29.294 29.700 -0.108 0.000 0.746 21 E HN 0.592 nan 8.360 nan 0.000 0.452 22 I N 0.149 120.682 120.570 -0.061 0.000 2.315 22 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 22 I C 2.288 178.411 176.117 0.010 0.000 1.117 22 I CA 0.978 62.279 61.300 0.002 0.000 1.404 22 I CB -0.343 37.707 38.000 0.083 0.000 1.071 22 I HN 0.177 nan 8.210 nan 0.000 0.419 23 A N 0.745 123.534 122.820 -0.052 0.000 1.933 23 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 23 A C 2.399 179.764 177.584 -0.366 0.000 1.175 23 A CA 1.393 53.272 52.037 -0.264 0.000 0.628 23 A CB -0.442 18.322 19.000 -0.394 0.000 0.814 23 A HN 0.310 nan 8.150 nan 0.000 0.444 24 R N -0.691 119.668 120.500 -0.235 0.000 2.055 24 R HA 0.006 4.346 4.340 -0.000 0.000 0.226 24 R C 0.645 176.872 176.300 -0.122 0.000 1.135 24 R CA 1.386 57.368 56.100 -0.197 0.000 0.959 24 R CB -0.150 30.060 30.300 -0.150 0.000 0.854 24 R HN 0.474 nan 8.270 nan 0.000 0.431 25 N N -0.417 118.234 118.700 -0.081 0.000 2.187 25 N HA 0.131 4.871 4.740 -0.000 0.000 0.212 25 N C 0.262 175.758 175.510 -0.024 0.000 1.152 25 N CA 0.707 53.727 53.050 -0.050 0.000 0.872 25 N CB 1.665 40.121 38.487 -0.052 0.000 1.025 25 N HN 0.293 nan 8.380 nan 0.000 0.514 26 G N 1.190 109.991 108.800 0.002 0.000 2.828 26 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.463 26 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.463 26 G C -0.617 174.293 174.900 0.016 0.000 1.394 26 G CA -0.713 44.407 45.100 0.034 0.000 0.862 26 G HN 0.121 nan 8.290 nan 0.000 0.540 27 L N 0.283 121.522 121.223 0.027 0.000 2.475 27 L HA 0.445 4.785 4.340 -0.000 0.000 0.253 27 L C 1.454 178.319 176.870 -0.008 0.000 1.198 27 L CA 0.144 54.992 54.840 0.014 0.000 0.814 27 L CB 0.476 42.556 42.059 0.035 0.000 1.134 27 L HN 0.635 nan 8.230 nan 0.000 0.478 28 K N 1.278 121.669 120.400 -0.015 0.000 2.412 28 K HA 0.305 4.625 4.320 -0.000 0.000 0.284 28 K C -0.258 176.327 176.600 -0.026 0.000 1.046 28 K CA -0.309 55.964 56.287 -0.024 0.000 0.999 28 K CB 0.467 32.952 32.500 -0.024 0.000 0.941 28 K HN 0.704 nan 8.250 nan 0.000 0.474 29 A N 3.305 126.101 122.820 -0.040 0.000 2.587 29 A HA -0.045 4.274 4.320 -0.000 0.000 0.235 29 A C 0.462 178.003 177.584 -0.073 0.000 1.044 29 A CA 0.433 52.433 52.037 -0.063 0.000 0.754 29 A CB 0.167 19.131 19.000 -0.061 0.000 0.968 29 A HN 0.702 nan 8.150 nan 0.000 0.509 30 T N 0.900 115.374 114.554 -0.133 0.000 2.910 30 T HA 0.387 4.737 4.350 -0.000 0.000 0.293 30 T C 1.185 175.814 174.700 -0.117 0.000 1.015 30 T CA 0.101 62.114 62.100 -0.146 0.000 1.094 30 T CB 0.357 69.002 68.868 -0.370 0.000 0.968 30 T HN 0.918 nan 8.240 nan 0.000 0.521 31 S N 3.092 118.752 115.700 -0.066 0.000 2.539 31 S HA 0.308 4.778 4.470 -0.000 0.000 0.221 31 S C 0.316 174.896 174.600 -0.032 0.000 0.987 31 S CA -0.611 57.562 58.200 -0.046 0.000 0.929 31 S CB 0.067 63.252 63.200 -0.024 0.000 0.832 31 S HN 0.622 nan 8.310 nan 0.000 0.492 32 N N 2.391 121.072 118.700 -0.032 0.000 2.710 32 N HA 0.348 5.088 4.740 -0.000 0.000 0.244 32 N C -3.337 172.185 175.510 0.019 0.000 1.321 32 N CA -1.079 51.976 53.050 0.008 0.000 0.758 32 N CB 1.476 39.993 38.487 0.050 0.000 1.284 32 N HN 0.072 nan 8.380 nan 0.000 0.530 33 P HA 0.029 nan 4.420 nan 0.000 0.262 33 P C -0.201 177.209 177.300 0.184 0.000 1.182 33 P CA 0.432 63.511 63.100 -0.035 0.000 0.761 33 P CB 0.841 32.505 31.700 -0.060 0.000 0.795 34 K N 1.734 122.416 120.400 0.471 0.000 2.395 34 K HA 0.417 4.737 4.320 -0.000 0.000 0.245 34 K C -0.690 176.107 176.600 0.330 0.000 1.017 34 K CA -0.869 55.636 56.287 0.362 0.000 0.852 34 K CB 1.138 33.861 32.500 0.371 0.000 1.311 34 K HN 0.465 nan 8.250 nan 0.000 0.452 35 H N 0.651 119.797 119.070 0.126 0.000 2.519 35 H HA 0.468 5.024 4.556 -0.000 0.000 0.316 35 H C -1.264 174.105 175.328 0.067 0.000 1.065 35 H CA -0.686 55.407 56.048 0.074 0.000 1.264 35 H CB 0.424 30.210 29.762 0.040 0.000 1.413 35 H HN 0.127 nan 8.280 nan 0.000 0.465 36 V N 6.334 126.321 119.914 0.122 0.000 2.540 36 V HA 0.306 4.426 4.120 -0.000 0.000 0.302 36 V C -0.320 175.691 176.094 -0.138 0.000 1.035 36 V CA -0.925 61.346 62.300 -0.050 0.000 0.873 36 V CB 1.874 33.662 31.823 -0.058 0.000 0.992 36 V HN 0.555 nan 8.190 nan 0.000 0.428 37 V N 5.626 125.427 119.914 -0.189 0.000 2.427 37 V HA 0.497 4.617 4.120 -0.000 0.000 0.286 37 V C -0.302 175.723 176.094 -0.115 0.000 1.034 37 V CA -0.485 61.710 62.300 -0.175 0.000 0.893 37 V CB 1.733 33.439 31.823 -0.194 0.000 0.982 37 V HN 0.585 nan 8.190 nan 0.000 0.452 38 I N 5.440 125.942 120.570 -0.114 0.000 2.362 38 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 38 I C -0.136 175.919 176.117 -0.102 0.000 0.994 38 I CA -0.593 60.652 61.300 -0.092 0.000 1.158 38 I CB 1.703 39.657 38.000 -0.078 0.000 1.315 38 I HN 0.232 nan 8.210 nan 0.000 0.451 39 V N 5.396 125.266 119.914 -0.072 0.000 2.334 39 V HA 0.749 4.869 4.120 -0.000 0.000 0.267 39 V C 0.599 176.673 176.094 -0.034 0.000 1.040 39 V CA -0.278 61.985 62.300 -0.061 0.000 0.866 39 V CB 0.463 32.271 31.823 -0.024 0.000 1.019 39 V HN 1.071 nan 8.190 nan 0.000 0.468 40 G N 4.148 112.910 108.800 -0.064 0.000 3.233 40 G HA2 0.286 4.246 3.960 -0.000 0.000 0.686 40 G HA3 0.286 4.246 3.960 -0.000 0.000 0.686 40 G C -0.217 174.654 174.900 -0.049 0.000 1.153 40 G CA -0.346 44.727 45.100 -0.045 0.000 0.853 40 G HN 1.435 nan 8.290 nan 0.000 0.582 41 A N 1.743 124.531 122.820 -0.053 0.000 3.159 41 A HA 0.782 5.102 4.320 -0.000 0.000 0.301 41 A C 1.314 178.891 177.584 -0.011 0.000 1.271 41 A CA 1.059 53.074 52.037 -0.037 0.000 0.998 41 A CB -0.235 18.736 19.000 -0.048 0.000 1.101 41 A HN 2.093 nan 8.150 nan 0.000 0.610 42 G N -1.163 107.633 108.800 -0.007 0.000 2.525 42 G HA2 0.411 4.371 3.960 -0.000 0.000 0.287 42 G HA3 0.411 4.371 3.960 -0.000 0.000 0.287 42 G C 0.976 175.865 174.900 -0.018 0.000 1.350 42 G CA -0.483 44.615 45.100 -0.003 0.000 1.039 42 G HN 0.108 nan 8.290 nan 0.000 0.513 43 M N 0.088 119.673 119.600 -0.026 0.000 2.213 43 M HA -0.067 4.413 4.480 -0.000 0.000 0.263 43 M C 2.829 179.099 176.300 -0.049 0.000 1.062 43 M CA 1.475 56.746 55.300 -0.047 0.000 1.105 43 M CB -1.608 30.968 32.600 -0.040 0.000 1.385 43 M HN 0.589 nan 8.290 nan 0.000 0.417 44 A N 0.109 122.913 122.820 -0.026 0.000 1.873 44 A HA 0.011 4.330 4.320 -0.000 0.000 0.215 44 A C 2.455 180.025 177.584 -0.023 0.000 1.186 44 A CA 1.979 54.001 52.037 -0.025 0.000 0.616 44 A CB -1.421 17.575 19.000 -0.007 0.000 0.823 44 A HN 0.488 nan 8.150 nan 0.000 0.442 45 G N -0.364 108.428 108.800 -0.014 0.000 2.402 45 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 45 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 45 G C 1.567 176.457 174.900 -0.018 0.000 1.162 45 G CA 0.942 46.031 45.100 -0.018 0.000 0.777 45 G HN 0.406 nan 8.290 nan 0.000 0.539 46 L N 0.816 122.026 121.223 -0.021 0.000 2.083 46 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 46 L C 3.193 180.060 176.870 -0.005 0.000 1.083 46 L CA 1.202 56.036 54.840 -0.010 0.000 0.752 46 L CB -0.323 41.717 42.059 -0.033 0.000 0.899 46 L HN 0.183 nan 8.230 nan 0.000 0.433 47 S N -0.119 115.545 115.700 -0.060 0.000 2.368 47 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 47 S C 2.202 176.832 174.600 0.050 0.000 1.029 47 S CA 1.137 59.296 58.200 -0.069 0.000 0.988 47 S CB -0.277 62.848 63.200 -0.125 0.000 0.838 47 S HN 0.493 nan 8.310 nan 0.000 0.462 48 A N 1.687 124.518 122.820 0.019 0.000 1.902 48 A HA 0.094 4.414 4.320 -0.000 0.000 0.217 48 A C 2.360 179.963 177.584 0.032 0.000 1.181 48 A CA 1.748 53.795 52.037 0.017 0.000 0.623 48 A CB -1.119 17.868 19.000 -0.021 0.000 0.818 48 A HN 0.512 nan 8.150 nan 0.000 0.443 49 A N -1.627 121.214 122.820 0.035 0.000 1.898 49 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 49 A C 2.142 179.776 177.584 0.083 0.000 1.181 49 A CA 1.640 53.699 52.037 0.037 0.000 0.620 49 A CB -0.838 18.175 19.000 0.022 0.000 0.819 49 A HN 0.703 nan 8.150 nan 0.000 0.442 50 Y N 1.127 121.431 120.300 0.008 0.000 2.097 50 Y HA -0.244 4.305 4.550 -0.000 0.000 0.282 50 Y C 2.506 178.450 175.900 0.073 0.000 1.152 50 Y CA 2.583 60.710 58.100 0.046 0.000 1.136 50 Y CB -0.273 38.221 38.460 0.057 0.000 0.975 50 Y HN 0.205 nan 8.280 nan 0.000 0.498 51 V N -1.764 118.254 119.914 0.174 0.000 2.548 51 V HA -0.181 3.939 4.120 -0.000 0.000 0.249 51 V C 2.098 178.211 176.094 0.031 0.000 1.055 51 V CA 1.705 64.062 62.300 0.096 0.000 1.065 51 V CB -0.960 30.973 31.823 0.183 0.000 0.681 51 V HN 0.448 nan 8.190 nan 0.000 0.462 52 L N 0.631 121.877 121.223 0.039 0.000 2.109 52 L HA 0.036 4.376 4.340 -0.000 0.000 0.207 52 L C 3.010 179.928 176.870 0.079 0.000 1.086 52 L CA 1.488 56.371 54.840 0.072 0.000 0.760 52 L CB -0.771 41.292 42.059 0.007 0.000 0.910 52 L HN 0.417 nan 8.230 nan 0.000 0.437 53 A N 0.264 123.083 122.820 -0.001 0.000 1.898 53 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 53 A C 2.375 179.904 177.584 -0.090 0.000 1.181 53 A CA 1.584 53.598 52.037 -0.037 0.000 0.620 53 A CB -1.178 17.780 19.000 -0.070 0.000 0.819 53 A HN 0.425 nan 8.150 nan 0.000 0.442 54 G N -0.639 108.065 108.800 -0.161 0.000 2.448 54 G HA2 0.055 4.015 3.960 -0.000 0.000 0.219 54 G HA3 0.055 4.015 3.960 -0.000 0.000 0.219 54 G C 1.525 176.368 174.900 -0.095 0.000 1.127 54 G CA 1.169 46.166 45.100 -0.172 0.000 0.766 54 G HN 0.803 nan 8.290 nan 0.000 0.552 55 A N -0.588 122.201 122.820 -0.052 0.000 2.167 55 A HA 0.456 4.776 4.320 -0.000 0.000 0.214 55 A C 2.005 179.506 177.584 -0.138 0.000 1.151 55 A CA 1.500 53.506 52.037 -0.053 0.000 0.735 55 A CB -0.273 18.745 19.000 0.030 0.000 0.802 55 A HN 1.548 nan 8.150 nan 0.000 0.467 56 G N -2.108 106.613 108.800 -0.131 0.000 2.192 56 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.193 56 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.193 56 G C 0.019 174.796 174.900 -0.205 0.000 0.999 56 G CA 0.147 45.142 45.100 -0.176 0.000 0.659 56 G HN 0.690 nan 8.290 nan 0.000 0.503 57 H N 0.274 119.329 119.070 -0.024 0.000 2.546 57 H HA 0.575 5.131 4.556 -0.000 0.000 0.365 57 H C 0.534 175.863 175.328 0.002 0.000 1.220 57 H CA 0.164 56.211 56.048 -0.001 0.000 1.386 57 H CB 0.789 30.554 29.762 0.005 0.000 1.510 57 H HN 0.228 nan 8.280 nan 0.000 0.591 58 Q N 2.254 122.156 119.800 0.171 0.000 2.322 58 Q HA 0.347 4.687 4.340 -0.000 0.000 0.256 58 Q C -1.146 174.962 176.000 0.181 0.000 0.960 58 Q CA -0.796 55.055 55.803 0.080 0.000 0.934 58 Q CB 0.594 29.303 28.738 -0.047 0.000 1.200 58 Q HN 0.528 nan 8.270 nan 0.000 0.435 59 V N 1.332 121.310 119.914 0.106 0.000 2.628 59 V HA 0.751 4.871 4.120 -0.000 0.000 0.306 59 V C -0.601 175.528 176.094 0.058 0.000 1.045 59 V CA -0.457 61.903 62.300 0.099 0.000 0.905 59 V CB 2.089 33.931 31.823 0.033 0.000 0.997 59 V HN 0.680 nan 8.190 nan 0.000 0.436 60 T N 3.914 118.487 114.554 0.031 0.000 2.890 60 T HA 0.570 4.920 4.350 -0.000 0.000 0.295 60 T C -0.565 174.014 174.700 -0.201 0.000 0.993 60 T CA -0.321 61.715 62.100 -0.107 0.000 0.979 60 T CB 1.337 70.183 68.868 -0.037 0.000 0.967 60 T HN 0.738 nan 8.240 nan 0.000 0.441 61 V N 5.330 125.085 119.914 -0.264 0.000 2.394 61 V HA 0.491 4.611 4.120 -0.000 0.000 0.282 61 V C -0.248 175.637 176.094 -0.348 0.000 1.031 61 V CA -0.791 61.362 62.300 -0.244 0.000 0.881 61 V CB 1.270 32.987 31.823 -0.178 0.000 0.982 61 V HN 0.726 nan 8.190 nan 0.000 0.451 62 L N 4.411 125.449 121.223 -0.309 0.000 2.294 62 L HA 0.620 4.960 4.340 -0.000 0.000 0.283 62 L C -0.326 176.397 176.870 -0.245 0.000 1.015 62 L CA -0.423 54.206 54.840 -0.352 0.000 0.831 62 L CB 1.633 43.444 42.059 -0.412 0.000 1.217 62 L HN 0.618 nan 8.230 nan 0.000 0.420 63 E N 2.278 122.336 120.200 -0.237 0.000 2.158 63 E HA 0.512 4.862 4.350 -0.000 0.000 0.271 63 E C 0.347 176.872 176.600 -0.124 0.000 0.911 63 E CA -0.302 56.002 56.400 -0.159 0.000 0.767 63 E CB 2.068 31.695 29.700 -0.122 0.000 1.120 63 E HN 0.559 nan 8.360 nan 0.000 0.405 64 A N 3.661 126.353 122.820 -0.214 0.000 1.902 64 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 64 A C 1.295 178.682 177.584 -0.327 0.000 1.181 64 A CA 1.523 53.391 52.037 -0.281 0.000 0.623 64 A CB -0.750 17.980 19.000 -0.450 0.000 0.818 64 A HN 0.704 nan 8.150 nan 0.000 0.443 65 S N -0.281 115.140 115.700 -0.464 0.000 2.652 65 S HA 0.263 4.733 4.470 -0.000 0.000 0.267 65 S C 0.793 175.384 174.600 -0.015 0.000 1.201 65 S CA 0.283 58.354 58.200 -0.215 0.000 0.996 65 S CB 0.528 63.615 63.200 -0.188 0.000 1.054 65 S HN 0.476 nan 8.310 nan 0.000 0.561 66 E N 0.230 120.386 120.200 -0.074 0.000 2.479 66 E HA 0.086 4.436 4.350 -0.000 0.000 0.193 66 E C 0.411 176.591 176.600 -0.701 0.000 1.049 66 E CA -0.208 56.054 56.400 -0.230 0.000 0.870 66 E CB -0.270 29.333 29.700 -0.161 0.000 0.944 66 E HN 0.755 nan 8.360 nan 0.000 0.492 67 R N 0.026 120.202 120.500 -0.539 0.000 2.799 67 R HA 0.639 4.979 4.340 -0.000 0.000 0.270 67 R C -3.040 173.114 176.300 -0.243 0.000 1.010 67 R CA -1.889 53.813 56.100 -0.663 0.000 0.916 67 R CB 1.540 31.627 30.300 -0.356 0.000 1.228 67 R HN -0.209 nan 8.270 nan 0.000 0.469 68 P HA 0.299 nan 4.420 nan 0.000 0.290 68 P C 0.031 177.306 177.300 -0.043 0.000 1.283 68 P CA 0.201 63.295 63.100 -0.010 0.000 0.869 68 P CB 1.894 33.536 31.700 -0.097 0.000 1.100 69 G N 0.227 109.020 108.800 -0.011 0.000 2.428 69 G HA2 0.013 3.973 3.960 -0.000 0.000 0.199 69 G HA3 0.013 3.973 3.960 -0.000 0.000 0.199 69 G C 0.681 175.586 174.900 0.008 0.000 1.005 69 G CA 0.413 45.507 45.100 -0.011 0.000 0.671 69 G HN 0.906 nan 8.290 nan 0.000 0.485 70 G N 0.587 109.405 108.800 0.031 0.000 2.596 70 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.304 70 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.304 70 G C 0.973 175.928 174.900 0.091 0.000 1.189 70 G CA 1.463 46.599 45.100 0.061 0.000 0.986 70 G HN 1.084 nan 8.290 nan 0.000 0.548 71 R N -0.169 120.313 120.500 -0.029 0.000 2.280 71 R HA 0.204 4.543 4.340 -0.000 0.000 0.207 71 R C 0.870 177.062 176.300 -0.181 0.000 1.043 71 R CA 0.635 56.567 56.100 -0.280 0.000 1.006 71 R CB -0.048 29.925 30.300 -0.544 0.000 0.885 71 R HN 0.247 nan 8.270 nan 0.000 0.467 72 V N 2.380 122.260 119.914 -0.057 0.000 2.352 72 V HA 0.148 4.268 4.120 -0.000 0.000 0.253 72 V C 0.116 176.244 176.094 0.056 0.000 1.083 72 V CA 0.043 62.334 62.300 -0.016 0.000 0.993 72 V CB 0.246 32.056 31.823 -0.022 0.000 1.111 72 V HN 0.153 nan 8.190 nan 0.000 0.490 73 R N 3.004 123.584 120.500 0.134 0.000 2.621 73 R HA 0.643 4.983 4.340 -0.000 0.000 0.284 73 R C -1.039 175.344 176.300 0.138 0.000 0.998 73 R CA -0.391 55.806 56.100 0.161 0.000 0.895 73 R CB 2.155 32.636 30.300 0.302 0.000 1.195 73 R HN 0.578 nan 8.270 nan 0.000 0.450 74 T N 3.440 118.035 114.554 0.068 0.000 2.841 74 T HA 0.194 4.544 4.350 -0.000 0.000 0.285 74 T C -1.439 173.292 174.700 0.052 0.000 0.991 74 T CA -0.400 61.741 62.100 0.067 0.000 0.966 74 T CB 0.688 69.539 68.868 -0.028 0.000 0.962 74 T HN 0.434 nan 8.240 nan 0.000 0.438 75 Y N 3.880 124.152 120.300 -0.048 0.000 2.336 75 Y HA 0.513 5.063 4.550 -0.000 0.000 0.335 75 Y C 0.305 176.118 175.900 -0.144 0.000 1.046 75 Y CA -0.439 57.592 58.100 -0.115 0.000 1.198 75 Y CB 0.482 38.848 38.460 -0.158 0.000 1.182 75 Y HN 0.494 nan 8.280 nan 0.000 0.502 76 R N 4.635 124.738 120.500 -0.662 0.000 2.670 76 R HA 0.282 4.622 4.340 -0.000 0.000 0.289 76 R C -1.247 174.550 176.300 -0.839 0.000 0.965 76 R CA -0.931 54.826 56.100 -0.571 0.000 0.899 76 R CB 1.593 31.689 30.300 -0.339 0.000 1.173 76 R HN 0.764 nan 8.270 nan 0.000 0.456 77 N N 1.619 119.813 118.700 -0.843 0.000 2.804 77 N HA 0.036 4.776 4.740 -0.000 0.000 0.251 77 N C 0.345 175.554 175.510 -0.501 0.000 1.250 77 N CA -0.142 52.454 53.050 -0.757 0.000 0.820 77 N CB 0.790 38.611 38.487 -1.110 0.000 1.156 77 N HN 0.494 nan 8.380 nan 0.000 0.512 78 E N 0.998 121.002 120.200 -0.327 0.000 2.065 78 E HA -0.249 4.101 4.350 -0.000 0.000 0.201 78 E C 1.154 177.668 176.600 -0.144 0.000 1.016 78 E CA 1.344 57.625 56.400 -0.199 0.000 0.818 78 E CB 0.142 29.753 29.700 -0.148 0.000 0.749 78 E HN 0.658 nan 8.360 nan 0.000 0.453 79 E N 0.513 120.637 120.200 -0.128 0.000 2.021 79 E HA -0.147 4.203 4.350 -0.000 0.000 0.200 79 E C 1.943 178.530 176.600 -0.022 0.000 1.015 79 E CA 1.403 57.767 56.400 -0.060 0.000 0.824 79 E CB -0.505 29.169 29.700 -0.043 0.000 0.762 79 E HN 0.225 nan 8.360 nan 0.000 0.454 80 A N -0.354 122.455 122.820 -0.019 0.000 2.178 80 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 80 A C 1.551 179.223 177.584 0.147 0.000 1.157 80 A CA 1.554 53.672 52.037 0.136 0.000 0.689 80 A CB -0.627 18.585 19.000 0.355 0.000 0.787 80 A HN 0.406 nan 8.150 nan 0.000 0.465 81 G N -1.886 106.888 108.800 -0.044 0.000 2.225 81 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 81 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 81 G C -0.108 174.671 174.900 -0.201 0.000 1.060 81 G CA 0.413 45.482 45.100 -0.051 0.000 0.833 81 G HN 1.432 nan 8.290 nan 0.000 0.498 82 W N -1.620 119.408 121.300 -0.453 0.000 3.025 82 W HA 0.744 5.404 4.660 -0.000 0.000 0.343 82 W C -0.736 175.552 176.519 -0.385 0.000 1.246 82 W CA -1.589 55.160 57.345 -0.993 0.000 1.178 82 W CB 0.672 29.628 29.460 -0.839 0.000 1.463 82 W HN 0.572 nan 8.180 nan 0.000 0.578 83 Y N -0.267 120.059 120.300 0.043 0.000 2.644 83 Y HA 0.871 5.421 4.550 -0.000 0.000 0.338 83 Y C -1.584 174.651 175.900 0.559 0.000 1.119 83 Y CA -1.897 56.317 58.100 0.190 0.000 1.060 83 Y CB 1.264 39.789 38.460 0.108 0.000 1.294 83 Y HN 0.846 nan 8.280 nan 0.000 0.472 84 A N 1.815 125.024 122.820 0.649 0.000 2.437 84 A HA 0.496 4.815 4.320 -0.000 0.000 0.293 84 A C -1.841 175.933 177.584 0.316 0.000 1.038 84 A CA -1.042 51.245 52.037 0.416 0.000 0.708 84 A CB 0.715 19.711 19.000 -0.008 0.000 1.251 84 A HN 0.867 nan 8.150 nan 0.000 0.409 85 N N 2.173 121.130 118.700 0.429 0.000 2.405 85 N HA 0.268 5.008 4.740 -0.000 0.000 0.260 85 N C 0.936 176.623 175.510 0.294 0.000 1.152 85 N CA -0.334 52.904 53.050 0.313 0.000 0.948 85 N CB 0.734 39.409 38.487 0.314 0.000 1.111 85 N HN 0.645 nan 8.380 nan 0.000 0.485 86 L N 1.156 122.518 121.223 0.232 0.000 2.240 86 L HA 0.100 4.440 4.340 -0.000 0.000 0.211 86 L C 1.709 178.931 176.870 0.587 0.000 1.106 86 L CA 0.566 55.616 54.840 0.349 0.000 0.793 86 L CB -0.263 41.928 42.059 0.219 0.000 0.927 86 L HN 0.609 nan 8.230 nan 0.000 0.446 87 G N -0.523 108.516 108.800 0.397 0.000 2.887 87 G HA2 0.270 4.230 3.960 -0.000 0.000 0.210 87 G HA3 0.270 4.230 3.960 -0.000 0.000 0.210 87 G C -2.335 172.523 174.900 -0.070 0.000 1.964 87 G CA -0.185 44.980 45.100 0.108 0.000 0.738 87 G HN 0.002 nan 8.290 nan 0.000 0.790 88 P HA 0.180 nan 4.420 nan 0.000 0.266 88 P C 0.352 177.612 177.300 -0.066 0.000 1.193 88 P CA 0.818 63.849 63.100 -0.115 0.000 0.770 88 P CB 0.685 32.342 31.700 -0.071 0.000 0.836 89 M N 1.006 120.528 119.600 -0.131 0.000 2.109 89 M HA 0.267 4.747 4.480 -0.000 0.000 0.372 89 M C -0.192 175.932 176.300 -0.293 0.000 0.840 89 M CA -0.107 55.112 55.300 -0.135 0.000 1.128 89 M CB 0.955 33.443 32.600 -0.187 0.000 2.136 89 M HN 0.132 nan 8.290 nan 0.000 0.723 90 R N 0.981 121.323 120.500 -0.265 0.000 2.680 90 R HA 0.812 5.152 4.340 -0.000 0.000 0.269 90 R C -1.990 174.402 176.300 0.152 0.000 1.026 90 R CA -0.891 55.087 56.100 -0.204 0.000 0.889 90 R CB 1.707 31.624 30.300 -0.638 0.000 1.241 90 R HN 0.241 nan 8.270 nan 0.000 0.463 91 L N 1.441 122.768 121.223 0.174 0.000 2.376 91 L HA 0.515 4.855 4.340 -0.000 0.000 0.275 91 L C -2.517 174.249 176.870 -0.173 0.000 0.987 91 L CA -2.512 52.398 54.840 0.117 0.000 0.828 91 L CB 2.542 44.665 42.059 0.105 0.000 1.249 91 L HN 0.401 nan 8.230 nan 0.000 0.409 92 P HA 0.023 nan 4.420 nan 0.000 0.271 92 P C 0.419 177.312 177.300 -0.679 0.000 1.216 92 P CA -0.139 62.248 63.100 -1.188 0.000 0.776 92 P CB 0.864 31.625 31.700 -1.565 0.000 0.881 93 E N 3.220 123.070 120.200 -0.583 0.000 2.204 93 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 93 E C 1.081 177.541 176.600 -0.234 0.000 0.990 93 E CA 1.161 57.379 56.400 -0.303 0.000 0.821 93 E CB 0.004 29.561 29.700 -0.238 0.000 0.750 93 E HN 0.411 nan 8.360 nan 0.000 0.477 94 K N -0.604 119.604 120.400 -0.321 0.000 2.525 94 K HA -0.033 4.287 4.320 -0.000 0.000 0.192 94 K C -0.026 176.558 176.600 -0.026 0.000 1.029 94 K CA 0.495 56.671 56.287 -0.185 0.000 1.029 94 K CB -0.178 32.187 32.500 -0.226 0.000 0.814 94 K HN 0.257 nan 8.250 nan 0.000 0.503 95 H N 1.745 120.714 119.070 -0.169 0.000 3.014 95 H HA 0.222 4.778 4.556 -0.000 0.000 0.266 95 H C 0.416 175.770 175.328 0.043 0.000 1.455 95 H CA -0.586 55.430 56.048 -0.053 0.000 1.402 95 H CB 0.515 30.221 29.762 -0.094 0.000 1.626 95 H HN 0.171 nan 8.280 nan 0.000 0.520 96 R N 2.015 122.663 120.500 0.247 0.000 2.275 96 R HA 0.015 4.355 4.340 -0.000 0.000 0.199 96 R C 1.523 177.860 176.300 0.063 0.000 0.989 96 R CA 0.410 56.593 56.100 0.139 0.000 1.016 96 R CB 0.385 30.764 30.300 0.132 0.000 0.918 96 R HN 0.571 nan 8.270 nan 0.000 0.473 97 I N 0.012 120.629 120.570 0.078 0.000 2.233 97 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 97 I C 2.398 178.577 176.117 0.104 0.000 1.093 97 I CA 0.995 62.291 61.300 -0.007 0.000 1.380 97 I CB -0.214 37.767 38.000 -0.032 0.000 1.067 97 I HN 0.008 nan 8.210 nan 0.000 0.413 98 V N 1.190 121.197 119.914 0.156 0.000 2.427 98 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 98 V C 2.551 178.737 176.094 0.154 0.000 1.051 98 V CA 1.838 64.256 62.300 0.196 0.000 1.048 98 V CB -0.459 31.467 31.823 0.172 0.000 0.666 98 V HN 0.338 nan 8.190 nan 0.000 0.456 99 R N -0.233 120.325 120.500 0.097 0.000 2.115 99 R HA -0.155 4.185 4.340 -0.000 0.000 0.230 99 R C 2.239 178.537 176.300 -0.003 0.000 1.111 99 R CA 1.536 57.667 56.100 0.052 0.000 0.976 99 R CB -0.242 30.078 30.300 0.033 0.000 0.870 99 R HN 0.638 nan 8.270 nan 0.000 0.445 100 E N 0.063 120.225 120.200 -0.064 0.000 2.072 100 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 100 E C 1.278 177.712 176.600 -0.277 0.000 0.985 100 E CA 1.508 57.791 56.400 -0.195 0.000 0.801 100 E CB -0.240 29.279 29.700 -0.301 0.000 0.750 100 E HN 0.325 nan 8.360 nan 0.000 0.452 101 Y N 0.266 120.492 120.300 -0.122 0.000 2.242 101 Y HA 0.004 4.554 4.550 -0.000 0.000 0.291 101 Y C 2.189 178.013 175.900 -0.127 0.000 1.137 101 Y CA 1.162 59.126 58.100 -0.228 0.000 1.181 101 Y CB -0.191 38.240 38.460 -0.048 0.000 0.989 101 Y HN 0.080 nan 8.280 nan 0.000 0.527 102 I N -0.352 120.308 120.570 0.150 0.000 2.226 102 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 102 I C 2.286 178.445 176.117 0.070 0.000 1.100 102 I CA 1.436 62.827 61.300 0.153 0.000 1.374 102 I CB -0.307 37.761 38.000 0.114 0.000 1.057 102 I HN 0.183 nan 8.210 nan 0.000 0.413 103 R N 0.610 121.102 120.500 -0.014 0.000 2.066 103 R HA -0.163 4.177 4.340 -0.000 0.000 0.232 103 R C 2.334 178.581 176.300 -0.088 0.000 1.131 103 R CA 1.073 57.150 56.100 -0.040 0.000 0.955 103 R CB -0.403 29.858 30.300 -0.064 0.000 0.851 103 R HN 0.278 nan 8.270 nan 0.000 0.432 104 K N 0.497 120.766 120.400 -0.220 0.000 2.113 104 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 104 K C 1.005 177.426 176.600 -0.298 0.000 1.047 104 K CA 1.423 57.504 56.287 -0.344 0.000 0.928 104 K CB 0.006 32.141 32.500 -0.608 0.000 0.716 104 K HN 0.061 nan 8.250 nan 0.000 0.446 105 F N 1.067 121.041 119.950 0.040 0.000 2.732 105 F HA 0.113 4.640 4.527 -0.000 0.000 0.303 105 F C 0.414 176.229 175.800 0.025 0.000 1.110 105 F CA -0.029 57.991 58.000 0.034 0.000 1.355 105 F CB -0.022 38.992 39.000 0.023 0.000 1.081 105 F HN 0.138 nan 8.300 nan 0.000 0.565 106 D N 1.152 121.631 120.400 0.131 0.000 2.870 106 D HA -0.203 4.437 4.640 -0.000 0.000 0.228 106 D C 0.009 176.365 176.300 0.094 0.000 1.147 106 D CA 0.371 54.425 54.000 0.090 0.000 0.757 106 D CB -0.842 40.008 40.800 0.082 0.000 1.091 106 D HN 0.213 nan 8.370 nan 0.000 0.429 107 L N -0.082 121.208 121.223 0.112 0.000 2.454 107 L HA 0.470 4.810 4.340 -0.000 0.000 0.256 107 L C 1.326 178.237 176.870 0.069 0.000 1.136 107 L CA -0.439 54.456 54.840 0.091 0.000 0.804 107 L CB 0.918 43.043 42.059 0.109 0.000 1.181 107 L HN -0.154 nan 8.230 nan 0.000 0.469 108 R N 1.068 121.603 120.500 0.059 0.000 2.854 108 R HA 0.715 5.054 4.340 -0.000 0.000 0.271 108 R C -1.232 175.106 176.300 0.063 0.000 0.996 108 R CA -0.947 55.187 56.100 0.056 0.000 0.961 108 R CB 1.983 32.315 30.300 0.052 0.000 1.182 108 R HN 0.430 nan 8.270 nan 0.000 0.479 109 L N 1.036 122.298 121.223 0.065 0.000 2.330 109 L HA 0.498 4.838 4.340 -0.000 0.000 0.271 109 L C -0.468 176.456 176.870 0.090 0.000 1.013 109 L CA -0.995 53.893 54.840 0.080 0.000 0.816 109 L CB 1.843 43.944 42.059 0.072 0.000 1.287 109 L HN 0.574 nan 8.230 nan 0.000 0.435 110 N N 0.414 119.187 118.700 0.121 0.000 2.310 110 N HA 0.145 4.884 4.740 -0.000 0.000 0.292 110 N C -1.007 174.606 175.510 0.171 0.000 1.049 110 N CA -0.633 52.497 53.050 0.134 0.000 0.849 110 N CB 1.941 40.519 38.487 0.152 0.000 1.532 110 N HN 0.585 nan 8.380 nan 0.000 0.479 111 E N 2.703 122.990 120.200 0.145 0.000 2.452 111 E HA 0.027 4.377 4.350 -0.000 0.000 0.261 111 E C -1.156 175.582 176.600 0.230 0.000 0.987 111 E CA 0.062 56.567 56.400 0.175 0.000 0.926 111 E CB 0.365 30.136 29.700 0.118 0.000 0.934 111 E HN 0.441 nan 8.360 nan 0.000 0.452 112 F N 4.411 124.446 119.950 0.142 0.000 2.388 112 F HA 0.244 4.771 4.527 -0.000 0.000 0.358 112 F C -0.153 175.717 175.800 0.116 0.000 1.122 112 F CA -0.597 57.488 58.000 0.142 0.000 1.056 112 F CB 1.323 40.419 39.000 0.160 0.000 1.155 112 F HN 0.346 nan 8.300 nan 0.000 0.461 113 S N 4.567 120.155 115.700 -0.187 0.000 2.531 113 S HA 0.093 4.563 4.470 -0.000 0.000 0.279 113 S C 0.854 175.435 174.600 -0.031 0.000 1.305 113 S CA -0.449 57.706 58.200 -0.074 0.000 1.058 113 S CB 0.771 63.908 63.200 -0.106 0.000 0.899 113 S HN 0.807 nan 8.310 nan 0.000 0.493 114 Q N 2.369 122.209 119.800 0.068 0.000 2.398 114 Q HA 0.236 4.576 4.340 -0.000 0.000 0.204 114 Q C 0.365 176.388 176.000 0.038 0.000 0.932 114 Q CA 0.631 56.473 55.803 0.065 0.000 0.916 114 Q CB 0.253 28.984 28.738 -0.012 0.000 1.024 114 Q HN 0.893 nan 8.270 nan 0.000 0.504 115 E N 0.095 120.301 120.200 0.009 0.000 2.375 115 E HA 0.267 4.617 4.350 -0.000 0.000 0.280 115 E C -1.618 174.964 176.600 -0.029 0.000 0.972 115 E CA -0.438 55.956 56.400 -0.010 0.000 0.782 115 E CB 1.422 31.131 29.700 0.015 0.000 1.229 115 E HN -0.116 nan 8.360 nan 0.000 0.439 116 N N 3.056 121.723 118.700 -0.056 0.000 2.500 116 N HA 0.119 4.859 4.740 -0.000 0.000 0.291 116 N C -0.624 174.823 175.510 -0.105 0.000 1.092 116 N CA -0.291 52.713 53.050 -0.076 0.000 0.890 116 N CB 1.635 40.060 38.487 -0.102 0.000 1.466 116 N HN 0.521 nan 8.380 nan 0.000 0.507 117 D N 2.072 122.422 120.400 -0.083 0.000 2.265 117 D HA -0.108 4.532 4.640 -0.000 0.000 0.208 117 D C 0.685 176.874 176.300 -0.185 0.000 0.977 117 D CA 1.298 55.241 54.000 -0.095 0.000 0.871 117 D CB 0.209 40.971 40.800 -0.063 0.000 0.925 117 D HN 0.632 nan 8.370 nan 0.000 0.485 118 N N -0.206 118.359 118.700 -0.225 0.000 2.412 118 N HA 0.122 4.862 4.740 -0.000 0.000 0.184 118 N C 0.654 175.829 175.510 -0.559 0.000 1.101 118 N CA -0.183 52.657 53.050 -0.351 0.000 0.881 118 N CB 0.464 38.801 38.487 -0.249 0.000 0.969 118 N HN 0.052 nan 8.380 nan 0.000 0.459 119 A N 0.342 122.899 122.820 -0.438 0.000 2.262 119 A HA 0.409 4.729 4.320 -0.000 0.000 0.273 119 A C -0.758 176.496 177.584 -0.549 0.000 1.202 119 A CA -0.025 51.753 52.037 -0.431 0.000 0.811 119 A CB 0.217 19.098 19.000 -0.198 0.000 1.159 119 A HN 0.253 nan 8.150 nan 0.000 0.505 120 W N -3.033 118.205 121.300 -0.103 0.000 2.799 120 W HA 0.615 5.275 4.660 -0.000 0.000 0.349 120 W C -1.390 175.060 176.519 -0.115 0.000 1.100 120 W CA -0.109 57.199 57.345 -0.062 0.000 1.174 120 W CB 1.190 30.605 29.460 -0.075 0.000 1.427 120 W HN 0.507 nan 8.180 nan 0.000 0.547 121 Y N 1.579 122.087 120.300 0.347 0.000 2.350 121 Y HA 0.446 4.996 4.550 -0.000 0.000 0.338 121 Y C -0.928 175.127 175.900 0.260 0.000 0.961 121 Y CA -1.166 57.064 58.100 0.216 0.000 1.100 121 Y CB 1.363 39.907 38.460 0.141 0.000 1.179 121 Y HN 0.231 nan 8.280 nan 0.000 0.454 122 F N 6.077 126.135 119.950 0.180 0.000 2.691 122 F HA 0.576 5.103 4.527 -0.000 0.000 0.371 122 F C -1.708 174.125 175.800 0.055 0.000 1.159 122 F CA -0.825 57.220 58.000 0.076 0.000 1.174 122 F CB 0.233 39.225 39.000 -0.013 0.000 1.419 122 F HN 0.218 nan 8.300 nan 0.000 0.514 123 I N 5.292 125.739 120.570 -0.206 0.000 2.465 123 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 123 I C 0.229 176.160 176.117 -0.310 0.000 1.014 123 I CA -0.901 60.303 61.300 -0.160 0.000 1.093 123 I CB 1.864 39.871 38.000 0.012 0.000 1.267 123 I HN 0.497 nan 8.210 nan 0.000 0.431 124 K N 4.446 124.683 120.400 -0.273 0.000 3.071 124 K HA -0.267 4.053 4.320 -0.000 0.000 0.262 124 K C 0.119 176.522 176.600 -0.329 0.000 0.977 124 K CA 0.936 57.067 56.287 -0.261 0.000 0.721 124 K CB -1.240 31.105 32.500 -0.258 0.000 1.293 124 K HN 0.846 nan 8.250 nan 0.000 0.475 125 N N -1.376 116.999 118.700 -0.542 0.000 2.800 125 N HA -0.206 4.533 4.740 -0.000 0.000 0.250 125 N C -0.532 174.635 175.510 -0.572 0.000 1.078 125 N CA 1.202 53.873 53.050 -0.631 0.000 0.804 125 N CB -0.692 37.658 38.487 -0.228 0.000 1.135 125 N HN 0.398 nan 8.380 nan 0.000 0.565 126 I N 0.769 121.007 120.570 -0.553 0.000 2.336 126 I HA 0.242 4.411 4.170 -0.000 0.000 0.292 126 I C 0.510 176.477 176.117 -0.250 0.000 0.991 126 I CA -0.524 60.602 61.300 -0.291 0.000 1.227 126 I CB 1.522 39.414 38.000 -0.180 0.000 1.366 126 I HN 0.071 nan 8.210 nan 0.000 0.466 127 R N 6.785 127.263 120.500 -0.037 0.000 2.310 127 R HA 0.474 4.814 4.340 -0.000 0.000 0.324 127 R C -1.233 175.234 176.300 0.278 0.000 0.955 127 R CA -0.588 55.624 56.100 0.186 0.000 0.830 127 R CB 0.719 31.151 30.300 0.221 0.000 1.154 127 R HN 0.466 nan 8.270 nan 0.000 0.458 128 K N 3.101 123.742 120.400 0.402 0.000 2.508 128 K HA 0.339 4.659 4.320 -0.000 0.000 0.260 128 K C -0.881 175.967 176.600 0.414 0.000 0.949 128 K CA -1.056 55.453 56.287 0.371 0.000 0.834 128 K CB 1.869 34.481 32.500 0.187 0.000 1.365 128 K HN 0.414 nan 8.250 nan 0.000 0.437 129 K N 1.129 121.613 120.400 0.140 0.000 2.355 129 K HA 0.090 4.410 4.320 -0.000 0.000 0.270 129 K C 1.321 177.954 176.600 0.057 0.000 1.003 129 K CA -0.049 56.134 56.287 -0.174 0.000 0.957 129 K CB 0.849 33.172 32.500 -0.294 0.000 0.939 129 K HN 0.260 nan 8.250 nan 0.000 0.482 130 V N 2.351 122.276 119.914 0.018 0.000 2.392 130 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 130 V C 2.259 178.427 176.094 0.123 0.000 1.059 130 V CA 2.462 64.884 62.300 0.203 0.000 1.051 130 V CB -0.735 31.097 31.823 0.014 0.000 0.658 130 V HN 1.033 nan 8.190 nan 0.000 0.455 131 G N -0.535 108.266 108.800 0.001 0.000 2.422 131 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 131 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 131 G C 1.444 176.349 174.900 0.008 0.000 1.146 131 G CA 0.902 45.999 45.100 -0.006 0.000 0.769 131 G HN 0.594 nan 8.290 nan 0.000 0.547 132 E N -0.071 120.134 120.200 0.008 0.000 2.072 132 E HA -0.065 4.284 4.350 -0.000 0.000 0.191 132 E C 2.697 179.301 176.600 0.006 0.000 0.985 132 E CA 0.904 57.311 56.400 0.012 0.000 0.801 132 E CB -0.133 29.583 29.700 0.025 0.000 0.750 132 E HN 0.307 nan 8.360 nan 0.000 0.452 133 V N 1.691 121.608 119.914 0.006 0.000 2.515 133 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 133 V C 2.039 178.102 176.094 -0.053 0.000 1.058 133 V CA 1.628 63.879 62.300 -0.082 0.000 1.064 133 V CB -0.371 31.266 31.823 -0.309 0.000 0.675 133 V HN 0.182 nan 8.190 nan 0.000 0.461 134 K N 0.071 120.476 120.400 0.009 0.000 2.097 134 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 134 K C 2.169 178.771 176.600 0.003 0.000 1.049 134 K CA 1.315 57.613 56.287 0.018 0.000 0.933 134 K CB -0.142 32.382 32.500 0.040 0.000 0.717 134 K HN 0.422 nan 8.250 nan 0.000 0.442 135 K N -0.019 120.381 120.400 0.001 0.000 2.243 135 K HA -0.046 4.274 4.320 -0.000 0.000 0.201 135 K C 0.184 176.781 176.600 -0.005 0.000 1.051 135 K CA 0.689 56.976 56.287 -0.000 0.000 0.970 135 K CB 0.315 32.816 32.500 0.001 0.000 0.755 135 K HN -0.029 nan 8.250 nan 0.000 0.465 136 D N -0.281 120.112 120.400 -0.011 0.000 2.405 136 D HA 0.169 4.809 4.640 -0.000 0.000 0.264 136 D C -2.367 173.916 176.300 -0.027 0.000 1.240 136 D CA -2.251 51.741 54.000 -0.013 0.000 0.893 136 D CB 1.368 42.163 40.800 -0.007 0.000 1.198 136 D HN -0.236 nan 8.370 nan 0.000 0.514 137 P HA -0.026 nan 4.420 nan 0.000 0.218 137 P C 1.429 178.721 177.300 -0.013 0.000 1.148 137 P CA 0.960 64.034 63.100 -0.044 0.000 0.822 137 P CB 0.320 32.001 31.700 -0.032 0.000 0.784 138 G N -0.698 108.103 108.800 0.001 0.000 2.535 138 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 138 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 138 G C 1.302 176.205 174.900 0.005 0.000 1.122 138 G CA 0.130 45.240 45.100 0.016 0.000 0.769 138 G HN 0.166 nan 8.290 nan 0.000 0.549 139 L N 0.292 121.508 121.223 -0.011 0.000 2.127 139 L HA 0.060 4.400 4.340 -0.000 0.000 0.211 139 L C 2.517 179.368 176.870 -0.031 0.000 1.089 139 L CA 1.156 55.984 54.840 -0.020 0.000 0.757 139 L CB -0.309 41.736 42.059 -0.023 0.000 0.899 139 L HN 0.233 nan 8.230 nan 0.000 0.434 140 L N -0.960 120.254 121.223 -0.015 0.000 2.612 140 L HA -0.004 4.336 4.340 -0.000 0.000 0.230 140 L C 0.743 177.549 176.870 -0.107 0.000 1.140 140 L CA -0.024 54.800 54.840 -0.026 0.000 0.896 140 L CB -0.355 41.765 42.059 0.102 0.000 1.065 140 L HN 0.234 nan 8.230 nan 0.000 0.447 141 K N -0.552 119.819 120.400 -0.049 0.000 3.035 141 K HA -0.235 4.085 4.320 -0.000 0.000 0.262 141 K C -0.743 175.791 176.600 -0.111 0.000 1.024 141 K CA 0.557 56.797 56.287 -0.079 0.000 0.748 141 K CB -1.893 30.534 32.500 -0.122 0.000 1.247 141 K HN 0.188 nan 8.250 nan 0.000 0.482 142 Y N 0.609 120.888 120.300 -0.034 0.000 2.377 142 Y HA 0.164 4.714 4.550 -0.000 0.000 0.330 142 Y C -1.718 174.173 175.900 -0.014 0.000 1.108 142 Y CA -2.388 55.700 58.100 -0.020 0.000 1.308 142 Y CB 0.490 38.942 38.460 -0.013 0.000 1.216 142 Y HN -0.031 nan 8.280 nan 0.000 0.518 143 P HA 0.061 nan 4.420 nan 0.000 0.267 143 P C -0.960 176.385 177.300 0.075 0.000 1.328 143 P CA 0.191 63.329 63.100 0.064 0.000 0.990 143 P CB 0.099 31.821 31.700 0.037 0.000 1.168 144 V N 3.253 123.204 119.914 0.062 0.000 3.096 144 V HA 0.390 4.510 4.120 -0.000 0.000 0.319 144 V C 0.653 176.762 176.094 0.026 0.000 1.103 144 V CA -1.120 61.208 62.300 0.046 0.000 1.016 144 V CB 1.802 33.651 31.823 0.044 0.000 1.090 144 V HN 0.263 nan 8.190 nan 0.000 0.449 145 K N 1.766 122.176 120.400 0.017 0.000 2.202 145 K HA 0.252 4.572 4.320 -0.000 0.000 0.264 145 K C -1.764 174.841 176.600 0.008 0.000 1.010 145 K CA -1.293 54.999 56.287 0.009 0.000 0.940 145 K CB 0.680 33.181 32.500 0.003 0.000 0.983 145 K HN 0.350 nan 8.250 nan 0.000 0.475 146 P HA -0.241 nan 4.420 nan 0.000 0.216 146 P C 1.110 178.413 177.300 0.005 0.000 1.150 146 P CA 1.464 64.567 63.100 0.005 0.000 0.843 146 P CB 0.158 31.860 31.700 0.003 0.000 0.787 147 S N -0.951 114.751 115.700 0.003 0.000 2.453 147 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 147 S C 1.590 176.192 174.600 0.004 0.000 1.005 147 S CA 0.785 58.986 58.200 0.003 0.000 0.949 147 S CB -0.881 62.319 63.200 -0.000 0.000 0.774 147 S HN 0.277 nan 8.310 nan 0.000 0.510 148 E N 1.416 121.619 120.200 0.006 0.000 2.474 148 E HA 0.396 4.746 4.350 -0.000 0.000 0.194 148 E C 0.707 177.313 176.600 0.010 0.000 1.041 148 E CA 0.107 56.511 56.400 0.007 0.000 0.874 148 E CB 0.128 29.832 29.700 0.008 0.000 0.914 148 E HN 0.643 nan 8.360 nan 0.000 0.498 149 A N 0.834 123.661 122.820 0.010 0.000 2.531 149 A HA 0.349 4.669 4.320 -0.000 0.000 0.236 149 A C 1.442 179.031 177.584 0.008 0.000 1.062 149 A CA 0.772 52.815 52.037 0.011 0.000 0.760 149 A CB -0.314 18.692 19.000 0.010 0.000 0.995 149 A HN 0.361 nan 8.150 nan 0.000 0.501 150 G N 1.063 109.868 108.800 0.008 0.000 2.184 150 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.264 150 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.264 150 G C 0.249 175.150 174.900 0.003 0.000 0.975 150 G CA 0.993 46.096 45.100 0.004 0.000 0.642 150 G HN 0.880 nan 8.290 nan 0.000 0.536 151 K N 1.006 121.408 120.400 0.003 0.000 2.123 151 K HA 0.586 4.906 4.320 -0.000 0.000 0.259 151 K C 0.794 177.392 176.600 -0.005 0.000 0.960 151 K CA 0.067 56.357 56.287 0.004 0.000 0.872 151 K CB 1.510 34.016 32.500 0.010 0.000 1.079 151 K HN 0.366 nan 8.250 nan 0.000 0.440 152 S N 0.734 116.433 115.700 -0.001 0.000 2.632 152 S HA 0.233 4.703 4.470 -0.000 0.000 0.267 152 S C 1.266 175.863 174.600 -0.004 0.000 1.276 152 S CA -0.261 57.932 58.200 -0.011 0.000 0.998 152 S CB 1.475 64.678 63.200 0.005 0.000 0.953 152 S HN 0.681 nan 8.310 nan 0.000 0.547 153 A N 1.911 124.717 122.820 -0.023 0.000 1.908 153 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 153 A C 2.203 179.825 177.584 0.063 0.000 1.181 153 A CA 1.929 53.961 52.037 -0.009 0.000 0.627 153 A CB -1.880 17.099 19.000 -0.035 0.000 0.818 153 A HN 1.184 nan 8.150 nan 0.000 0.445 154 G N -0.993 107.842 108.800 0.058 0.000 2.418 154 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.217 154 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.217 154 G C 1.612 176.582 174.900 0.117 0.000 1.158 154 G CA 0.996 46.145 45.100 0.082 0.000 0.771 154 G HN 0.667 nan 8.290 nan 0.000 0.545 155 Q N -0.211 119.634 119.800 0.075 0.000 2.079 155 Q HA 0.069 4.409 4.340 -0.000 0.000 0.200 155 Q C 2.682 178.731 176.000 0.083 0.000 0.974 155 Q CA 0.781 56.624 55.803 0.068 0.000 0.840 155 Q CB -0.279 28.482 28.738 0.039 0.000 0.898 155 Q HN 0.426 nan 8.270 nan 0.000 0.430 156 L N -0.407 120.864 121.223 0.079 0.000 2.042 156 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 156 L C 2.424 179.361 176.870 0.112 0.000 1.076 156 L CA 1.437 56.321 54.840 0.073 0.000 0.749 156 L CB -0.543 41.548 42.059 0.055 0.000 0.893 156 L HN 0.258 nan 8.230 nan 0.000 0.432 157 Y N 0.832 121.167 120.300 0.058 0.000 2.133 157 Y HA -0.242 4.308 4.550 -0.000 0.000 0.287 157 Y C 2.689 178.656 175.900 0.113 0.000 1.134 157 Y CA 1.588 59.748 58.100 0.100 0.000 1.133 157 Y CB 0.038 38.557 38.460 0.099 0.000 0.987 157 Y HN 0.085 nan 8.280 nan 0.000 0.502 158 E N 0.677 121.010 120.200 0.221 0.000 2.058 158 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 158 E C 2.066 178.693 176.600 0.046 0.000 0.997 158 E CA 1.782 58.266 56.400 0.140 0.000 0.801 158 E CB -0.385 29.402 29.700 0.144 0.000 0.746 158 E HN 0.669 nan 8.360 nan 0.000 0.450 159 E N 0.519 120.744 120.200 0.042 0.000 2.153 159 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 159 E C 1.982 178.582 176.600 0.000 0.000 0.988 159 E CA 1.227 57.641 56.400 0.023 0.000 0.811 159 E CB -0.065 29.649 29.700 0.023 0.000 0.746 159 E HN 0.205 nan 8.360 nan 0.000 0.466 160 S N 0.431 116.115 115.700 -0.028 0.000 2.507 160 S HA -0.042 4.428 4.470 -0.000 0.000 0.235 160 S C 1.790 176.422 174.600 0.055 0.000 0.988 160 S CA 0.414 58.596 58.200 -0.030 0.000 0.944 160 S CB -0.236 62.926 63.200 -0.062 0.000 0.762 160 S HN 0.200 nan 8.310 nan 0.000 0.526 161 L N 1.226 122.457 121.223 0.013 0.000 2.610 161 L HA 0.193 4.533 4.340 -0.000 0.000 0.232 161 L C 2.676 179.576 176.870 0.049 0.000 1.149 161 L CA 0.336 55.198 54.840 0.037 0.000 0.872 161 L CB -1.026 41.017 42.059 -0.026 0.000 0.992 161 L HN 0.490 nan 8.230 nan 0.000 0.447 162 G N 0.866 109.692 108.800 0.043 0.000 2.513 162 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.219 162 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.219 162 G C 1.642 176.569 174.900 0.045 0.000 1.160 162 G CA 1.058 46.178 45.100 0.034 0.000 0.767 162 G HN 0.213 nan 8.290 nan 0.000 0.571 163 K N 0.222 120.664 120.400 0.070 0.000 2.044 163 K HA -0.061 4.258 4.320 -0.000 0.000 0.210 163 K C 2.615 179.278 176.600 0.106 0.000 1.049 163 K CA 1.447 57.793 56.287 0.097 0.000 0.927 163 K CB -0.783 31.780 32.500 0.106 0.000 0.713 163 K HN 0.208 nan 8.250 nan 0.000 0.443 164 V N -0.119 119.804 119.914 0.015 0.000 2.343 164 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 164 V C 2.292 178.373 176.094 -0.022 0.000 1.051 164 V CA 1.748 63.958 62.300 -0.151 0.000 1.036 164 V CB -0.422 31.151 31.823 -0.417 0.000 0.654 164 V HN 0.122 nan 8.190 nan 0.000 0.451 165 V N 0.113 120.019 119.914 -0.014 0.000 2.332 165 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 165 V C 2.561 178.667 176.094 0.019 0.000 1.055 165 V CA 2.352 64.651 62.300 -0.002 0.000 1.038 165 V CB -0.633 31.193 31.823 0.005 0.000 0.651 165 V HN 0.621 nan 8.190 nan 0.000 0.450 166 E N 0.311 120.533 120.200 0.037 0.000 2.051 166 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 166 E C 2.225 178.860 176.600 0.059 0.000 0.991 166 E CA 1.421 57.847 56.400 0.042 0.000 0.799 166 E CB -0.257 29.472 29.700 0.049 0.000 0.748 166 E HN 0.489 nan 8.360 nan 0.000 0.449 167 E N 0.017 120.284 120.200 0.111 0.000 2.118 167 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 167 E C 2.096 178.766 176.600 0.118 0.000 0.992 167 E CA 0.908 57.406 56.400 0.163 0.000 0.804 167 E CB -0.396 29.509 29.700 0.341 0.000 0.741 167 E HN 0.283 nan 8.360 nan 0.000 0.458 168 L N 1.570 122.846 121.223 0.089 0.000 1.994 168 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 168 L C 2.261 179.133 176.870 0.004 0.000 1.071 168 L CA 1.945 56.810 54.840 0.041 0.000 0.745 168 L CB -0.478 41.578 42.059 -0.005 0.000 0.892 168 L HN -0.073 nan 8.230 nan 0.000 0.431 169 K N -0.801 119.598 120.400 -0.001 0.000 2.074 169 K HA -0.248 4.071 4.320 -0.000 0.000 0.209 169 K C 2.428 179.015 176.600 -0.022 0.000 1.048 169 K CA 1.816 58.095 56.287 -0.013 0.000 0.926 169 K CB -0.209 32.288 32.500 -0.006 0.000 0.713 169 K HN 0.271 nan 8.250 nan 0.000 0.444 170 R N 0.018 120.506 120.500 -0.020 0.000 2.193 170 R HA -0.072 4.268 4.340 -0.000 0.000 0.213 170 R C 1.246 177.490 176.300 -0.093 0.000 1.055 170 R CA 1.670 57.742 56.100 -0.045 0.000 0.995 170 R CB 0.177 30.456 30.300 -0.034 0.000 0.893 170 R HN 0.403 nan 8.270 nan 0.000 0.459 171 T N -2.459 112.041 114.554 -0.091 0.000 1.812 171 T HA 0.265 4.615 4.350 -0.000 0.000 0.173 171 T C -0.371 174.297 174.700 -0.054 0.000 0.710 171 T CA -0.194 61.817 62.100 -0.148 0.000 1.065 171 T CB 0.186 68.848 68.868 -0.343 0.000 3.214 171 T HN 0.337 nan 8.240 nan 0.000 0.403 172 N N -1.725 116.981 118.700 0.009 0.000 3.261 172 N HA 0.349 5.088 4.740 -0.000 0.000 0.248 172 N C 0.395 175.931 175.510 0.042 0.000 1.498 172 N CA -0.315 52.744 53.050 0.016 0.000 0.884 172 N CB 0.447 38.939 38.487 0.008 0.000 1.428 172 N HN 0.466 nan 8.380 nan 0.000 0.517 173 c N -0.126 118.463 118.600 -0.019 0.000 2.413 173 c HA -0.133 4.437 4.570 -0.000 0.000 0.276 173 c C 2.857 176.928 174.090 -0.031 0.000 1.236 173 c CA 1.929 58.216 56.329 -0.071 0.000 1.735 173 c CB -1.566 40.862 42.510 -0.136 0.000 2.031 173 c HN 0.876 nan 8.230 nan 0.000 0.474 174 S N -0.335 115.368 115.700 0.006 0.000 2.400 174 S HA -0.269 4.201 4.470 -0.000 0.000 0.232 174 S C 1.739 176.370 174.600 0.052 0.000 1.025 174 S CA 1.792 60.005 58.200 0.022 0.000 0.993 174 S CB -0.953 62.270 63.200 0.038 0.000 0.808 174 S HN 0.711 nan 8.310 nan 0.000 0.478 175 Y N 3.352 123.643 120.300 -0.014 0.000 2.163 175 Y HA -0.016 4.534 4.550 -0.000 0.000 0.288 175 Y C 2.167 178.070 175.900 0.005 0.000 1.136 175 Y CA 1.725 59.823 58.100 -0.003 0.000 1.147 175 Y CB -0.382 38.078 38.460 0.001 0.000 0.987 175 Y HN 0.426 nan 8.280 nan 0.000 0.509 176 I N -2.567 118.092 120.570 0.148 0.000 2.439 176 I HA -0.141 4.029 4.170 -0.000 0.000 0.251 176 I C 1.822 178.001 176.117 0.104 0.000 1.139 176 I CA 1.079 62.483 61.300 0.174 0.000 1.438 176 I CB -0.578 37.587 38.000 0.275 0.000 1.085 176 I HN 0.173 nan 8.210 nan 0.000 0.427 177 L N 1.870 123.090 121.223 -0.004 0.000 2.056 177 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 177 L C 2.375 179.219 176.870 -0.044 0.000 1.078 177 L CA 1.953 56.768 54.840 -0.042 0.000 0.749 177 L CB -1.363 40.641 42.059 -0.093 0.000 0.901 177 L HN 0.437 nan 8.230 nan 0.000 0.433 178 N N -0.518 118.128 118.700 -0.091 0.000 2.135 178 N HA -0.217 4.523 4.740 -0.000 0.000 0.186 178 N C 1.932 177.321 175.510 -0.201 0.000 1.027 178 N CA 1.361 54.341 53.050 -0.118 0.000 0.849 178 N CB -0.048 38.354 38.487 -0.140 0.000 1.002 178 N HN 0.236 nan 8.380 nan 0.000 0.425 179 K N -0.902 119.288 120.400 -0.350 0.000 2.026 179 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 179 K C 1.067 177.468 176.600 -0.332 0.000 1.048 179 K CA 1.313 57.330 56.287 -0.450 0.000 0.929 179 K CB -0.255 31.806 32.500 -0.730 0.000 0.713 179 K HN 0.278 nan 8.250 nan 0.000 0.439 180 Y N 0.667 120.992 120.300 0.041 0.000 2.578 180 Y HA -0.031 4.519 4.550 -0.000 0.000 0.297 180 Y C 1.390 177.408 175.900 0.197 0.000 1.176 180 Y CA 0.738 58.934 58.100 0.159 0.000 1.315 180 Y CB -0.068 38.454 38.460 0.103 0.000 1.031 180 Y HN 0.303 nan 8.280 nan 0.000 0.524 181 D N -0.750 119.728 120.400 0.131 0.000 2.348 181 D HA -0.092 4.548 4.640 -0.000 0.000 0.211 181 D C 1.922 178.161 176.300 -0.102 0.000 0.998 181 D CA 1.219 55.291 54.000 0.119 0.000 0.873 181 D CB 0.030 40.899 40.800 0.116 0.000 0.925 181 D HN 0.262 nan 8.370 nan 0.000 0.524 182 T N -2.783 111.629 114.554 -0.236 0.000 3.129 182 T HA 0.077 4.427 4.350 -0.000 0.000 0.251 182 T C 0.255 174.818 174.700 -0.228 0.000 1.117 182 T CA -0.094 61.618 62.100 -0.646 0.000 1.034 182 T CB -0.371 68.132 68.868 -0.608 0.000 0.968 182 T HN -0.066 nan 8.240 nan 0.000 0.526 183 Y N 2.205 122.504 120.300 -0.001 0.000 2.487 183 Y HA 0.589 5.139 4.550 -0.000 0.000 0.337 183 Y C 0.783 176.804 175.900 0.201 0.000 1.076 183 Y CA -1.319 56.858 58.100 0.127 0.000 1.115 183 Y CB 1.810 40.405 38.460 0.224 0.000 1.235 183 Y HN 0.188 nan 8.280 nan 0.000 0.468 184 S N -0.944 114.959 115.700 0.338 0.000 2.687 184 S HA 0.250 4.720 4.470 -0.000 0.000 0.283 184 S C 0.741 175.531 174.600 0.317 0.000 1.170 184 S CA -0.430 57.959 58.200 0.315 0.000 1.008 184 S CB 1.419 64.773 63.200 0.256 0.000 1.026 184 S HN 0.694 nan 8.310 nan 0.000 0.541 185 T N 1.350 116.121 114.554 0.361 0.000 2.684 185 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 185 T C 1.700 176.481 174.700 0.135 0.000 1.036 185 T CA 1.865 64.185 62.100 0.366 0.000 1.148 185 T CB -0.440 68.766 68.868 0.563 0.000 0.863 185 T HN 0.765 nan 8.240 nan 0.000 0.436 186 K N 0.922 121.341 120.400 0.033 0.000 2.057 186 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 186 K C 2.378 178.887 176.600 -0.153 0.000 1.049 186 K CA 1.521 57.597 56.287 -0.352 0.000 0.931 186 K CB -0.102 32.079 32.500 -0.532 0.000 0.714 186 K HN 0.428 nan 8.250 nan 0.000 0.440 187 E N -0.492 119.707 120.200 -0.002 0.000 2.085 187 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 187 E C 1.889 178.531 176.600 0.070 0.000 0.994 187 E CA 1.336 57.773 56.400 0.062 0.000 0.801 187 E CB -0.240 29.550 29.700 0.151 0.000 0.743 187 E HN 0.458 nan 8.360 nan 0.000 0.453 188 Y N 1.124 121.361 120.300 -0.104 0.000 2.133 188 Y HA -0.186 4.364 4.550 -0.000 0.000 0.287 188 Y C 2.001 177.696 175.900 -0.342 0.000 1.134 188 Y CA 1.762 59.642 58.100 -0.367 0.000 1.133 188 Y CB -0.329 37.484 38.460 -1.079 0.000 0.987 188 Y HN 0.008 nan 8.280 nan 0.000 0.502 189 L N -0.240 120.801 121.223 -0.303 0.000 2.043 189 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 189 L C 2.380 179.085 176.870 -0.275 0.000 1.075 189 L CA 1.751 56.435 54.840 -0.260 0.000 0.752 189 L CB -0.605 41.400 42.059 -0.091 0.000 0.891 189 L HN 0.341 nan 8.230 nan 0.000 0.432 190 I N -0.675 119.764 120.570 -0.219 0.000 2.235 190 I HA -0.209 3.961 4.170 -0.000 0.000 0.241 190 I C 2.524 178.544 176.117 -0.162 0.000 1.085 190 I CA 1.149 62.353 61.300 -0.160 0.000 1.378 190 I CB -0.201 37.731 38.000 -0.114 0.000 1.076 190 I HN 0.134 nan 8.210 nan 0.000 0.415 191 K N 0.337 120.649 120.400 -0.146 0.000 2.057 191 K HA -0.111 4.208 4.320 -0.000 0.000 0.206 191 K C 1.878 178.371 176.600 -0.178 0.000 1.050 191 K CA 1.065 57.294 56.287 -0.096 0.000 0.935 191 K CB 0.081 32.603 32.500 0.036 0.000 0.715 191 K HN 0.238 nan 8.250 nan 0.000 0.439 192 E N -0.712 119.240 120.200 -0.413 0.000 2.290 192 E HA 0.027 4.377 4.350 -0.000 0.000 0.199 192 E C 2.035 178.310 176.600 -0.541 0.000 0.912 192 E CA 0.586 56.676 56.400 -0.517 0.000 0.924 192 E CB 0.061 29.287 29.700 -0.790 0.000 0.901 192 E HN 0.338 nan 8.360 nan 0.000 0.487 193 G N 1.037 109.426 108.800 -0.685 0.000 2.572 193 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.216 193 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.216 193 G C 0.845 175.616 174.900 -0.215 0.000 1.133 193 G CA 0.943 45.806 45.100 -0.395 0.000 0.791 193 G HN 0.378 nan 8.290 nan 0.000 0.538 194 D N -1.061 119.217 120.400 -0.205 0.000 2.911 194 D HA -0.178 4.462 4.640 -0.000 0.000 0.227 194 D C 0.680 176.927 176.300 -0.088 0.000 1.164 194 D CA 1.125 55.052 54.000 -0.122 0.000 0.782 194 D CB -2.166 38.579 40.800 -0.092 0.000 1.094 194 D HN 0.472 nan 8.370 nan 0.000 0.425 195 L N 0.524 121.690 121.223 -0.096 0.000 2.452 195 L HA 0.484 4.824 4.340 -0.000 0.000 0.267 195 L C 1.752 178.598 176.870 -0.040 0.000 1.188 195 L CA 0.068 54.875 54.840 -0.056 0.000 0.821 195 L CB 1.343 43.375 42.059 -0.045 0.000 1.102 195 L HN 0.575 nan 8.230 nan 0.000 0.470 196 S N 1.440 117.129 115.700 -0.018 0.000 2.593 196 S HA 0.195 4.665 4.470 -0.000 0.000 0.269 196 S C -1.890 172.713 174.600 0.004 0.000 1.334 196 S CA -1.109 57.088 58.200 -0.005 0.000 1.015 196 S CB 0.969 64.174 63.200 0.009 0.000 0.912 196 S HN 0.416 nan 8.310 nan 0.000 0.541 197 P HA -0.003 nan 4.420 nan 0.000 0.218 197 P C 1.654 178.991 177.300 0.062 0.000 1.148 197 P CA 1.582 64.695 63.100 0.022 0.000 0.822 197 P CB -0.408 31.305 31.700 0.022 0.000 0.784 198 G N -0.129 108.717 108.800 0.076 0.000 2.408 198 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 198 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 198 G C 1.623 176.592 174.900 0.114 0.000 1.150 198 G CA 0.798 45.983 45.100 0.142 0.000 0.776 198 G HN 0.310 nan 8.290 nan 0.000 0.542 199 A N 0.173 123.022 122.820 0.049 0.000 1.930 199 A HA 0.123 4.443 4.320 -0.000 0.000 0.217 199 A C 2.561 180.157 177.584 0.019 0.000 1.175 199 A CA 1.672 53.712 52.037 0.005 0.000 0.627 199 A CB -0.499 18.506 19.000 0.009 0.000 0.815 199 A HN 0.236 nan 8.150 nan 0.000 0.443 200 V N 0.505 120.448 119.914 0.048 0.000 2.427 200 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 200 V C 2.103 178.306 176.094 0.180 0.000 1.051 200 V CA 2.190 64.544 62.300 0.090 0.000 1.048 200 V CB -0.757 31.056 31.823 -0.017 0.000 0.666 200 V HN 0.464 nan 8.190 nan 0.000 0.456 201 D N -0.546 119.944 120.400 0.150 0.000 2.117 201 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 201 D C 2.054 178.408 176.300 0.089 0.000 0.987 201 D CA 1.372 55.502 54.000 0.216 0.000 0.829 201 D CB -0.215 40.766 40.800 0.301 0.000 0.961 201 D HN 0.344 nan 8.370 nan 0.000 0.460 202 M N 0.013 119.460 119.600 -0.255 0.000 2.132 202 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 202 M C 2.035 178.177 176.300 -0.263 0.000 1.065 202 M CA 1.198 56.026 55.300 -0.786 0.000 1.122 202 M CB 0.010 32.055 32.600 -0.925 0.000 1.365 202 M HN -0.050 nan 8.290 nan 0.000 0.411 203 I N -0.212 120.325 120.570 -0.055 0.000 2.226 203 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 203 I C 2.496 178.631 176.117 0.029 0.000 1.100 203 I CA 1.432 62.766 61.300 0.056 0.000 1.374 203 I CB -0.942 37.191 38.000 0.221 0.000 1.057 203 I HN 0.444 nan 8.210 nan 0.000 0.413 204 G N 0.364 109.213 108.800 0.082 0.000 2.421 204 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 204 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 204 G C 1.223 176.095 174.900 -0.046 0.000 1.171 204 G CA 0.941 45.959 45.100 -0.138 0.000 0.775 204 G HN 0.276 nan 8.290 nan 0.000 0.543 205 D N 0.503 120.932 120.400 0.048 0.000 2.084 205 D HA -0.039 4.601 4.640 -0.000 0.000 0.196 205 D C 2.627 179.006 176.300 0.131 0.000 0.985 205 D CA 0.684 54.739 54.000 0.092 0.000 0.826 205 D CB -0.293 40.615 40.800 0.182 0.000 0.978 205 D HN 0.324 nan 8.370 nan 0.000 0.456 206 L N -0.274 121.018 121.223 0.115 0.000 2.375 206 L HA 0.126 4.466 4.340 -0.000 0.000 0.215 206 L C 1.717 178.717 176.870 0.218 0.000 1.108 206 L CA 0.345 55.318 54.840 0.221 0.000 0.830 206 L CB 0.025 42.190 42.059 0.177 0.000 0.959 206 L HN -0.031 nan 8.230 nan 0.000 0.457 207 L N -0.473 120.794 121.223 0.072 0.000 2.700 207 L HA 0.164 4.504 4.340 -0.000 0.000 0.234 207 L C 0.434 177.197 176.870 -0.179 0.000 1.156 207 L CA 0.008 54.815 54.840 -0.055 0.000 0.946 207 L CB -0.350 41.631 42.059 -0.130 0.000 1.216 207 L HN 0.415 nan 8.230 nan 0.000 0.493 208 N N 0.945 119.624 118.700 -0.036 0.000 2.747 208 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 208 N C 0.832 176.158 175.510 -0.306 0.000 1.107 208 N CA 0.235 53.201 53.050 -0.140 0.000 0.707 208 N CB -0.018 38.166 38.487 -0.506 0.000 1.054 208 N HN 0.331 nan 8.380 nan 0.000 0.555 209 E N -0.035 119.954 120.200 -0.352 0.000 2.415 209 E HA -0.041 4.309 4.350 -0.000 0.000 0.197 209 E C 1.107 177.206 176.600 -0.835 0.000 1.007 209 E CA 0.257 56.329 56.400 -0.547 0.000 0.890 209 E CB -0.008 29.385 29.700 -0.512 0.000 0.891 209 E HN 0.502 nan 8.360 nan 0.000 0.496 210 D N 0.835 120.866 120.400 -0.615 0.000 2.126 210 D HA -0.144 4.496 4.640 -0.000 0.000 0.190 210 D C 1.544 177.719 176.300 -0.208 0.000 1.001 210 D CA 1.734 55.477 54.000 -0.429 0.000 0.841 210 D CB 0.139 40.878 40.800 -0.101 0.000 0.949 210 D HN -0.088 nan 8.370 nan 0.000 0.446 211 S N -1.355 114.262 115.700 -0.139 0.000 2.603 211 S HA 0.107 4.577 4.470 -0.000 0.000 0.229 211 S C 1.461 175.956 174.600 -0.175 0.000 0.972 211 S CA 0.666 58.835 58.200 -0.051 0.000 0.935 211 S CB 0.506 63.701 63.200 -0.008 0.000 0.769 211 S HN 0.429 nan 8.310 nan 0.000 0.536 212 G N -1.072 107.567 108.800 -0.269 0.000 3.519 212 G HA2 0.147 4.107 3.960 -0.000 0.000 0.269 212 G HA3 0.147 4.107 3.960 -0.000 0.000 0.269 212 G C 0.450 175.246 174.900 -0.174 0.000 1.028 212 G CA -0.241 44.675 45.100 -0.306 0.000 0.809 212 G HN 0.345 nan 8.290 nan 0.000 0.521 213 Y N 0.841 121.073 120.300 -0.113 0.000 2.483 213 Y HA -0.075 4.475 4.550 -0.000 0.000 0.291 213 Y C 2.047 178.005 175.900 0.096 0.000 1.143 213 Y CA -0.015 58.104 58.100 0.031 0.000 1.289 213 Y CB -0.174 38.345 38.460 0.099 0.000 0.983 213 Y HN 0.612 nan 8.280 nan 0.000 0.556 214 Y N -1.901 118.558 120.300 0.265 0.000 2.458 214 Y HA 0.421 4.971 4.550 -0.000 0.000 0.256 214 Y C 0.646 176.649 175.900 0.172 0.000 1.159 214 Y CA -1.141 57.070 58.100 0.184 0.000 1.261 214 Y CB -1.149 37.386 38.460 0.126 0.000 1.119 214 Y HN -0.168 nan 8.280 nan 0.000 0.524 215 V N -1.198 118.729 119.914 0.022 0.000 3.295 215 V HA 0.404 4.524 4.120 -0.000 0.000 0.308 215 V C 0.775 177.030 176.094 0.268 0.000 1.068 215 V CA -0.865 61.521 62.300 0.143 0.000 1.062 215 V CB 1.093 32.952 31.823 0.060 0.000 1.162 215 V HN 0.266 nan 8.190 nan 0.000 0.456 216 S N 0.437 116.334 115.700 0.328 0.000 2.563 216 S HA 0.029 4.499 4.470 -0.000 0.000 0.294 216 S C 0.519 175.368 174.600 0.415 0.000 1.279 216 S CA -0.111 58.330 58.200 0.400 0.000 1.069 216 S CB -0.583 62.940 63.200 0.538 0.000 0.828 216 S HN 0.852 nan 8.310 nan 0.000 0.497 217 F N 6.271 126.367 119.950 0.243 0.000 2.307 217 F HA -0.072 4.455 4.527 -0.000 0.000 0.301 217 F C 1.553 177.422 175.800 0.114 0.000 1.076 217 F CA 1.005 59.108 58.000 0.173 0.000 1.383 217 F CB -0.307 38.779 39.000 0.144 0.000 1.055 217 F HN 0.653 nan 8.300 nan 0.000 0.526 218 I N 0.310 120.916 120.570 0.060 0.000 2.264 218 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 218 I C 2.289 178.323 176.117 -0.138 0.000 1.111 218 I CA 1.167 62.373 61.300 -0.157 0.000 1.382 218 I CB -1.286 36.528 38.000 -0.310 0.000 1.060 218 I HN 0.167 nan 8.210 nan 0.000 0.418 219 E N 0.228 120.509 120.200 0.135 0.000 2.077 219 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 219 E C 2.330 178.933 176.600 0.006 0.000 0.989 219 E CA 1.400 57.888 56.400 0.147 0.000 0.800 219 E CB -0.231 29.611 29.700 0.237 0.000 0.746 219 E HN 0.363 nan 8.360 nan 0.000 0.452 220 S N 0.373 116.060 115.700 -0.021 0.000 2.368 220 S HA -0.059 4.411 4.470 -0.000 0.000 0.224 220 S C 2.121 176.638 174.600 -0.138 0.000 1.029 220 S CA 0.555 58.740 58.200 -0.025 0.000 0.988 220 S CB -0.113 63.210 63.200 0.206 0.000 0.838 220 S HN 0.151 nan 8.310 nan 0.000 0.462 221 L N 0.725 121.682 121.223 -0.443 0.000 2.083 221 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 221 L C 2.634 179.089 176.870 -0.692 0.000 1.083 221 L CA 1.341 55.870 54.840 -0.518 0.000 0.752 221 L CB -0.410 41.299 42.059 -0.583 0.000 0.899 221 L HN 0.285 nan 8.230 nan 0.000 0.433 222 K N -1.260 118.716 120.400 -0.705 0.000 2.097 222 K HA -0.194 4.126 4.320 -0.000 0.000 0.205 222 K C 2.192 178.660 176.600 -0.221 0.000 1.050 222 K CA 0.901 56.780 56.287 -0.680 0.000 0.938 222 K CB -0.228 32.043 32.500 -0.382 0.000 0.718 222 K HN 0.333 nan 8.250 nan 0.000 0.442 223 H N 1.149 120.139 119.070 -0.133 0.000 2.389 223 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 223 H C 1.604 176.966 175.328 0.057 0.000 1.081 223 H CA 1.926 57.991 56.048 0.029 0.000 1.345 223 H CB 0.179 29.877 29.762 -0.107 0.000 1.393 223 H HN 0.232 nan 8.280 nan 0.000 0.520 224 D N 0.071 120.527 120.400 0.094 0.000 2.117 224 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 224 D C 1.952 178.368 176.300 0.195 0.000 0.987 224 D CA 1.478 55.565 54.000 0.144 0.000 0.829 224 D CB -0.353 40.599 40.800 0.254 0.000 0.961 224 D HN 0.355 nan 8.370 nan 0.000 0.460 225 D N -0.953 119.461 120.400 0.024 0.000 2.228 225 D HA -0.144 4.496 4.640 -0.000 0.000 0.203 225 D C 1.878 178.216 176.300 0.064 0.000 0.988 225 D CA 1.101 55.112 54.000 0.018 0.000 0.864 225 D CB -0.028 40.636 40.800 -0.226 0.000 0.928 225 D HN 0.414 nan 8.370 nan 0.000 0.469 226 I N -1.252 119.322 120.570 0.007 0.000 2.499 226 I HA -0.081 4.089 4.170 -0.000 0.000 0.243 226 I C 1.564 177.680 176.117 -0.002 0.000 1.085 226 I CA 0.194 61.428 61.300 -0.110 0.000 1.422 226 I CB -0.240 37.588 38.000 -0.286 0.000 1.165 226 I HN -0.067 nan 8.210 nan 0.000 0.440 227 F N 1.307 121.213 119.950 -0.074 0.000 2.234 227 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 227 F C 2.495 178.288 175.800 -0.012 0.000 1.087 227 F CA 1.214 59.212 58.000 -0.003 0.000 1.340 227 F CB -0.705 38.197 39.000 -0.162 0.000 1.031 227 F HN 0.008 nan 8.300 nan 0.000 0.500 228 A N -2.092 120.795 122.820 0.112 0.000 2.123 228 A HA -0.011 4.309 4.320 -0.000 0.000 0.214 228 A C 1.002 178.277 177.584 -0.515 0.000 1.152 228 A CA 0.836 52.755 52.037 -0.197 0.000 0.728 228 A CB -0.697 18.133 19.000 -0.283 0.000 0.814 228 A HN 0.460 nan 8.150 nan 0.000 0.464 229 Y N -1.277 119.035 120.300 0.020 0.000 2.527 229 Y HA 0.313 4.863 4.550 -0.000 0.000 0.247 229 Y C 0.397 176.252 175.900 -0.075 0.000 1.138 229 Y CA -0.650 57.437 58.100 -0.020 0.000 1.228 229 Y CB 0.518 38.959 38.460 -0.031 0.000 1.252 229 Y HN 0.228 nan 8.280 nan 0.000 0.531 230 E N 1.529 121.726 120.200 -0.005 0.000 2.167 230 E HA 0.235 4.585 4.350 -0.000 0.000 0.284 230 E C 0.329 176.897 176.600 -0.053 0.000 1.016 230 E CA -0.049 56.254 56.400 -0.162 0.000 0.817 230 E CB 0.850 30.244 29.700 -0.509 0.000 1.080 230 E HN 0.168 nan 8.360 nan 0.000 0.397 231 K N 3.306 123.665 120.400 -0.069 0.000 2.361 231 K HA 0.116 4.436 4.320 -0.000 0.000 0.196 231 K C 0.492 177.109 176.600 0.029 0.000 1.039 231 K CA 0.247 56.535 56.287 0.001 0.000 1.001 231 K CB 0.388 32.883 32.500 -0.009 0.000 0.795 231 K HN 0.287 nan 8.250 nan 0.000 0.495 232 R N 0.293 120.752 120.500 -0.069 0.000 2.604 232 R HA 0.318 4.657 4.340 -0.000 0.000 0.281 232 R C -1.762 174.437 176.300 -0.167 0.000 1.020 232 R CA -0.484 55.613 56.100 -0.005 0.000 0.899 232 R CB 0.952 31.238 30.300 -0.023 0.000 1.205 232 R HN -0.213 nan 8.270 nan 0.000 0.450 233 F N 1.447 121.386 119.950 -0.018 0.000 2.561 233 F HA 0.534 5.061 4.527 -0.000 0.000 0.321 233 F C -0.095 175.758 175.800 0.087 0.000 1.065 233 F CA -0.469 57.520 58.000 -0.017 0.000 0.934 233 F CB 2.275 41.269 39.000 -0.011 0.000 1.215 233 F HN 0.355 nan 8.300 nan 0.000 0.471 234 D N 0.494 121.035 120.400 0.235 0.000 2.581 234 D HA 0.289 4.929 4.640 -0.000 0.000 0.232 234 D C -1.184 175.242 176.300 0.210 0.000 1.143 234 D CA -0.493 53.638 54.000 0.218 0.000 0.881 234 D CB 2.888 43.761 40.800 0.122 0.000 1.500 234 D HN 0.685 nan 8.370 nan 0.000 0.458 235 E N 0.310 120.655 120.200 0.242 0.000 2.263 235 E HA 0.568 4.918 4.350 -0.000 0.000 0.264 235 E C -0.633 176.060 176.600 0.154 0.000 0.923 235 E CA -0.816 55.712 56.400 0.214 0.000 0.802 235 E CB 1.856 31.762 29.700 0.344 0.000 1.228 235 E HN 0.293 nan 8.360 nan 0.000 0.417 236 I N 2.241 122.876 120.570 0.109 0.000 2.371 236 I HA 0.085 4.255 4.170 -0.000 0.000 0.290 236 I C -0.001 176.138 176.117 0.038 0.000 1.028 236 I CA -0.988 60.352 61.300 0.066 0.000 1.345 236 I CB 1.378 39.400 38.000 0.037 0.000 1.407 236 I HN 0.389 nan 8.210 nan 0.000 0.501 237 V N 7.064 127.007 119.914 0.047 0.000 2.617 237 V HA -0.102 4.018 4.120 -0.000 0.000 0.304 237 V C 0.637 176.715 176.094 -0.026 0.000 1.040 237 V CA 0.829 63.152 62.300 0.038 0.000 1.149 237 V CB 0.099 31.957 31.823 0.059 0.000 0.914 237 V HN 0.936 nan 8.190 nan 0.000 0.487 238 D N 2.225 122.600 120.400 -0.042 0.000 3.077 238 D HA -0.131 4.509 4.640 -0.000 0.000 0.212 238 D C 0.447 176.340 176.300 -0.679 0.000 1.125 238 D CA 1.654 55.545 54.000 -0.182 0.000 0.970 238 D CB -1.336 39.431 40.800 -0.054 0.000 1.110 238 D HN 1.611 nan 8.370 nan 0.000 0.419 239 G N -0.634 107.723 108.800 -0.737 0.000 2.841 239 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.684 239 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.684 239 G C 0.703 175.463 174.900 -0.234 0.000 1.273 239 G CA -0.021 44.671 45.100 -0.680 0.000 0.811 239 G HN -0.053 nan 8.290 nan 0.000 0.631 240 M N 1.434 120.972 119.600 -0.103 0.000 2.213 240 M HA -0.050 4.430 4.480 -0.000 0.000 0.263 240 M C 2.258 178.535 176.300 -0.039 0.000 1.062 240 M CA 2.209 57.494 55.300 -0.025 0.000 1.105 240 M CB -0.973 31.641 32.600 0.023 0.000 1.385 240 M HN 0.844 nan 8.290 nan 0.000 0.417 241 D N -0.203 120.159 120.400 -0.062 0.000 2.392 241 D HA -0.138 4.502 4.640 -0.000 0.000 0.228 241 D C 1.419 177.675 176.300 -0.074 0.000 1.003 241 D CA 0.671 54.636 54.000 -0.058 0.000 0.917 241 D CB -0.332 40.433 40.800 -0.058 0.000 0.890 241 D HN 0.145 nan 8.370 nan 0.000 0.532 242 K N 0.005 120.355 120.400 -0.083 0.000 2.147 242 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 242 K C 1.946 178.501 176.600 -0.074 0.000 1.049 242 K CA 0.314 56.557 56.287 -0.075 0.000 0.936 242 K CB -0.443 32.019 32.500 -0.063 0.000 0.722 242 K HN 0.272 nan 8.250 nan 0.000 0.446 243 L N 2.274 123.467 121.223 -0.049 0.000 1.976 243 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 243 L C -1.078 175.701 176.870 -0.151 0.000 1.071 243 L CA 1.913 56.723 54.840 -0.051 0.000 0.746 243 L CB -1.424 40.646 42.059 0.019 0.000 0.890 243 L HN 0.039 nan 8.230 nan 0.000 0.432 244 P HA -0.128 nan 4.420 nan 0.000 0.218 244 P C 1.468 178.721 177.300 -0.078 0.000 1.149 244 P CA 1.757 64.797 63.100 -0.100 0.000 0.817 244 P CB -0.229 31.438 31.700 -0.055 0.000 0.785 245 T N 0.270 114.784 114.554 -0.067 0.000 2.746 245 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 245 T C 2.089 176.759 174.700 -0.051 0.000 1.039 245 T CA 1.783 63.892 62.100 0.015 0.000 1.142 245 T CB -0.788 68.071 68.868 -0.016 0.000 0.866 245 T HN 0.092 nan 8.240 nan 0.000 0.444 246 A N 1.149 123.815 122.820 -0.256 0.000 1.902 246 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 246 A C 2.310 179.414 177.584 -0.800 0.000 1.181 246 A CA 1.679 53.419 52.037 -0.495 0.000 0.623 246 A CB -0.688 17.937 19.000 -0.625 0.000 0.818 246 A HN 0.495 nan 8.150 nan 0.000 0.443 247 M N -1.789 117.273 119.600 -0.897 0.000 2.117 247 M HA -0.137 4.343 4.480 -0.000 0.000 0.262 247 M C 2.139 178.331 176.300 -0.180 0.000 1.065 247 M CA 2.172 57.056 55.300 -0.694 0.000 1.114 247 M CB -0.302 32.009 32.600 -0.482 0.000 1.361 247 M HN 0.611 nan 8.290 nan 0.000 0.408 248 Y N 0.886 121.076 120.300 -0.183 0.000 2.114 248 Y HA -0.202 4.348 4.550 -0.000 0.000 0.284 248 Y C 2.080 177.971 175.900 -0.014 0.000 1.143 248 Y CA 1.821 59.891 58.100 -0.049 0.000 1.135 248 Y CB -0.583 37.885 38.460 0.013 0.000 0.980 248 Y HN 0.147 nan 8.280 nan 0.000 0.499 249 R N 0.310 120.529 120.500 -0.468 0.000 2.159 249 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 249 R C 1.984 178.119 176.300 -0.275 0.000 1.131 249 R CA 1.380 57.180 56.100 -0.501 0.000 0.982 249 R CB -0.506 29.664 30.300 -0.217 0.000 0.868 249 R HN 0.523 nan 8.270 nan 0.000 0.453 250 D N 1.122 121.447 120.400 -0.125 0.000 2.219 250 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 250 D C 1.259 177.567 176.300 0.014 0.000 0.970 250 D CA 0.979 55.010 54.000 0.052 0.000 0.851 250 D CB 0.301 41.303 40.800 0.336 0.000 0.943 250 D HN 0.351 nan 8.370 nan 0.000 0.488 251 I N -1.699 118.846 120.570 -0.043 0.000 3.658 251 I HA 0.218 4.388 4.170 -0.000 0.000 0.328 251 I C 1.575 177.620 176.117 -0.120 0.000 1.567 251 I CA -0.492 60.781 61.300 -0.044 0.000 1.078 251 I CB 0.402 38.418 38.000 0.026 0.000 1.267 251 I HN -0.222 nan 8.210 nan 0.000 0.495 252 Q N 3.054 122.685 119.800 -0.282 0.000 2.118 252 Q HA -0.274 4.066 4.340 -0.000 0.000 0.211 252 Q C 1.522 177.472 176.000 -0.083 0.000 0.998 252 Q CA 2.967 58.542 55.803 -0.380 0.000 0.872 252 Q CB -0.068 28.405 28.738 -0.443 0.000 0.925 252 Q HN 0.811 nan 8.270 nan 0.000 0.414 253 D N -0.790 119.581 120.400 -0.048 0.000 2.392 253 D HA -0.138 4.502 4.640 -0.000 0.000 0.228 253 D C 0.668 176.997 176.300 0.049 0.000 1.003 253 D CA 0.769 54.777 54.000 0.015 0.000 0.917 253 D CB -0.031 40.771 40.800 0.003 0.000 0.890 253 D HN 0.368 nan 8.370 nan 0.000 0.532 254 K N 0.187 120.597 120.400 0.015 0.000 2.358 254 K HA 0.199 4.519 4.320 -0.000 0.000 0.200 254 K C -0.078 176.479 176.600 -0.071 0.000 1.030 254 K CA -0.124 56.156 56.287 -0.013 0.000 1.097 254 K CB 1.922 34.404 32.500 -0.031 0.000 0.862 254 K HN -0.027 nan 8.250 nan 0.000 0.534 255 V N 2.047 121.955 119.914 -0.009 0.000 2.398 255 V HA 0.202 4.322 4.120 -0.000 0.000 0.286 255 V C -0.449 175.581 176.094 -0.107 0.000 1.026 255 V CA -0.772 61.442 62.300 -0.143 0.000 0.868 255 V CB 1.048 32.798 31.823 -0.122 0.000 0.982 255 V HN 0.233 nan 8.190 nan 0.000 0.443 256 H N 4.409 123.220 119.070 -0.432 0.000 2.511 256 H HA 0.491 5.047 4.556 -0.000 0.000 0.328 256 H C -1.006 174.046 175.328 -0.461 0.000 1.044 256 H CA -0.604 55.227 56.048 -0.362 0.000 1.212 256 H CB 1.433 31.030 29.762 -0.274 0.000 1.428 256 H HN 0.472 nan 8.280 nan 0.000 0.483 257 F N 1.187 121.152 119.950 0.025 0.000 2.380 257 F HA 0.119 4.645 4.527 -0.000 0.000 0.319 257 F C 1.246 177.027 175.800 -0.031 0.000 1.113 257 F CA -0.906 57.066 58.000 -0.047 0.000 1.056 257 F CB 0.506 39.461 39.000 -0.075 0.000 1.289 257 F HN 0.619 nan 8.300 nan 0.000 0.515 258 N N -0.147 118.660 118.700 0.178 0.000 2.735 258 N HA -0.201 4.538 4.740 -0.000 0.000 0.248 258 N C -0.809 174.763 175.510 0.105 0.000 1.083 258 N CA 0.803 53.920 53.050 0.112 0.000 0.703 258 N CB -1.200 37.355 38.487 0.113 0.000 1.005 258 N HN 0.599 nan 8.380 nan 0.000 0.550 259 A N 0.732 123.579 122.820 0.045 0.000 2.536 259 A HA 0.352 4.672 4.320 -0.000 0.000 0.329 259 A C 0.197 177.784 177.584 0.005 0.000 1.321 259 A CA -0.492 51.563 52.037 0.030 0.000 0.804 259 A CB 0.718 19.553 19.000 -0.275 0.000 1.126 259 A HN 0.245 nan 8.150 nan 0.000 0.480 260 Q N 2.448 122.313 119.800 0.108 0.000 2.349 260 Q HA 0.447 4.787 4.340 -0.000 0.000 0.254 260 Q C -0.756 175.318 176.000 0.124 0.000 0.980 260 Q CA -0.314 55.541 55.803 0.088 0.000 0.924 260 Q CB 0.889 29.704 28.738 0.127 0.000 1.209 260 Q HN 0.487 nan 8.270 nan 0.000 0.445 261 V N 6.958 126.916 119.914 0.074 0.000 2.585 261 V HA -0.044 4.076 4.120 -0.000 0.000 0.296 261 V C 1.108 177.223 176.094 0.035 0.000 1.035 261 V CA 0.736 63.079 62.300 0.072 0.000 1.084 261 V CB 0.440 32.266 31.823 0.004 0.000 0.953 261 V HN 0.856 nan 8.190 nan 0.000 0.483 262 I N 0.984 121.564 120.570 0.016 0.000 4.456 262 I HA 0.455 4.625 4.170 -0.000 0.000 0.329 262 I C 0.443 176.510 176.117 -0.083 0.000 1.313 262 I CA 0.024 61.313 61.300 -0.017 0.000 1.205 262 I CB 0.306 38.310 38.000 0.006 0.000 1.179 262 I HN 0.411 nan 8.210 nan 0.000 0.419 263 K N 1.944 122.276 120.400 -0.114 0.000 2.523 263 K HA 0.710 5.030 4.320 -0.000 0.000 0.257 263 K C -1.388 175.079 176.600 -0.222 0.000 0.932 263 K CA -0.508 55.674 56.287 -0.174 0.000 0.812 263 K CB 3.328 35.770 32.500 -0.097 0.000 1.326 263 K HN 0.020 nan 8.250 nan 0.000 0.433 264 I N 2.219 122.587 120.570 -0.336 0.000 2.534 264 I HA 0.222 4.392 4.170 -0.000 0.000 0.286 264 I C -1.107 174.938 176.117 -0.119 0.000 1.094 264 I CA -0.546 60.595 61.300 -0.265 0.000 1.055 264 I CB 2.273 40.015 38.000 -0.430 0.000 1.225 264 I HN 0.538 nan 8.210 nan 0.000 0.435 265 Q N 5.766 125.542 119.800 -0.039 0.000 2.375 265 Q HA 0.464 4.804 4.340 -0.000 0.000 0.271 265 Q C -1.491 174.522 176.000 0.022 0.000 1.074 265 Q CA -0.680 55.130 55.803 0.012 0.000 0.808 265 Q CB 2.915 31.652 28.738 -0.001 0.000 1.327 265 Q HN 0.613 nan 8.270 nan 0.000 0.441 266 Q N 2.754 122.580 119.800 0.043 0.000 2.316 266 Q HA 0.410 4.749 4.340 -0.000 0.000 0.264 266 Q C -1.496 174.514 176.000 0.016 0.000 0.987 266 Q CA -0.419 55.401 55.803 0.027 0.000 0.852 266 Q CB 1.125 29.889 28.738 0.044 0.000 1.287 266 Q HN 0.691 nan 8.270 nan 0.000 0.448 267 N N 4.399 123.099 118.700 -0.000 0.000 2.623 267 N HA 0.132 4.872 4.740 -0.000 0.000 0.256 267 N C -1.012 174.493 175.510 -0.008 0.000 1.045 267 N CA -0.499 52.551 53.050 -0.001 0.000 0.863 267 N CB 1.120 39.605 38.487 -0.003 0.000 1.182 267 N HN 0.784 nan 8.380 nan 0.000 0.523 268 D N 1.224 121.623 120.400 -0.003 0.000 4.134 268 D HA -0.324 4.316 4.640 -0.000 0.000 0.141 268 D C 0.358 176.645 176.300 -0.021 0.000 0.779 268 D CA 1.791 55.787 54.000 -0.006 0.000 1.126 268 D CB -0.274 40.523 40.800 -0.005 0.000 0.523 268 D HN 0.583 nan 8.370 nan 0.000 0.513 269 Q N 0.261 120.040 119.800 -0.034 0.000 2.246 269 Q HA 0.148 4.487 4.340 -0.000 0.000 0.202 269 Q C -0.082 175.852 176.000 -0.110 0.000 0.883 269 Q CA 0.307 56.069 55.803 -0.069 0.000 0.952 269 Q CB 0.653 29.359 28.738 -0.054 0.000 1.078 269 Q HN 0.116 nan 8.270 nan 0.000 0.493 270 K N 0.658 121.010 120.400 -0.079 0.000 2.385 270 K HA 0.559 4.879 4.320 -0.000 0.000 0.248 270 K C -0.853 175.706 176.600 -0.067 0.000 0.955 270 K CA -0.784 55.452 56.287 -0.085 0.000 0.816 270 K CB 2.708 35.179 32.500 -0.047 0.000 1.250 270 K HN -0.209 nan 8.250 nan 0.000 0.434 271 V N 0.950 120.819 119.914 -0.074 0.000 2.680 271 V HA 0.490 4.610 4.120 -0.000 0.000 0.309 271 V C -0.412 175.655 176.094 -0.045 0.000 1.052 271 V CA -0.710 61.561 62.300 -0.048 0.000 0.908 271 V CB 2.150 33.943 31.823 -0.049 0.000 1.001 271 V HN 0.749 nan 8.190 nan 0.000 0.431 272 T N 3.265 117.801 114.554 -0.030 0.000 2.812 272 T HA 0.591 4.941 4.350 -0.000 0.000 0.282 272 T C -0.647 174.034 174.700 -0.031 0.000 0.990 272 T CA -0.367 61.718 62.100 -0.026 0.000 0.960 272 T CB 1.592 70.450 68.868 -0.017 0.000 0.948 272 T HN 0.365 nan 8.240 nan 0.000 0.438 273 V N 4.074 123.978 119.914 -0.016 0.000 2.417 273 V HA 0.511 4.631 4.120 -0.000 0.000 0.291 273 V C -0.165 175.961 176.094 0.053 0.000 1.024 273 V CA -0.745 61.554 62.300 -0.001 0.000 0.861 273 V CB 1.732 33.557 31.823 0.003 0.000 0.985 273 V HN 0.686 nan 8.190 nan 0.000 0.436 274 V N 6.275 126.201 119.914 0.020 0.000 2.435 274 V HA 0.605 4.725 4.120 -0.000 0.000 0.290 274 V C -0.711 175.427 176.094 0.073 0.000 1.030 274 V CA -0.599 61.697 62.300 -0.007 0.000 0.881 274 V CB 1.380 33.169 31.823 -0.057 0.000 0.983 274 V HN 0.890 nan 8.190 nan 0.000 0.445 275 Y N 1.341 121.629 120.300 -0.020 0.000 2.553 275 Y HA 0.798 5.348 4.550 -0.000 0.000 0.347 275 Y C -0.368 175.536 175.900 0.007 0.000 1.019 275 Y CA -1.348 56.746 58.100 -0.009 0.000 1.032 275 Y CB 1.259 39.717 38.460 -0.003 0.000 1.284 275 Y HN 0.592 nan 8.280 nan 0.000 0.466 276 E N 1.148 121.451 120.200 0.171 0.000 2.283 276 E HA 0.540 4.890 4.350 -0.000 0.000 0.267 276 E C -0.435 176.280 176.600 0.190 0.000 1.045 276 E CA -0.646 55.812 56.400 0.096 0.000 0.884 276 E CB 1.665 31.414 29.700 0.082 0.000 1.106 276 E HN 0.839 nan 8.360 nan 0.000 0.408 277 T N -2.312 112.311 114.554 0.115 0.000 2.724 277 T HA 0.331 4.681 4.350 -0.000 0.000 0.274 277 T C 0.923 175.675 174.700 0.087 0.000 0.984 277 T CA -0.830 61.351 62.100 0.135 0.000 1.024 277 T CB 0.212 69.148 68.868 0.113 0.000 1.320 277 T HN 0.345 nan 8.240 nan 0.000 0.555 278 L N 0.954 122.223 121.223 0.076 0.000 2.291 278 L HA 0.130 4.470 4.340 -0.000 0.000 0.214 278 L C 1.753 178.645 176.870 0.038 0.000 1.120 278 L CA 0.618 55.491 54.840 0.056 0.000 0.799 278 L CB -0.494 41.595 42.059 0.049 0.000 0.925 278 L HN 0.821 nan 8.230 nan 0.000 0.446 279 S N -1.305 114.414 115.700 0.032 0.000 2.677 279 S HA 0.227 4.697 4.470 -0.000 0.000 0.290 279 S C 0.837 175.444 174.600 0.012 0.000 1.124 279 S CA -0.751 57.460 58.200 0.018 0.000 1.017 279 S CB 1.023 64.230 63.200 0.012 0.000 1.215 279 S HN -0.020 nan 8.310 nan 0.000 0.524 280 K N 0.376 120.777 120.400 0.002 0.000 2.418 280 K HA 0.108 4.428 4.320 -0.000 0.000 0.195 280 K C 0.571 177.160 176.600 -0.019 0.000 1.035 280 K CA 0.204 56.488 56.287 -0.005 0.000 1.003 280 K CB -0.101 32.395 32.500 -0.007 0.000 0.793 280 K HN 0.662 nan 8.250 nan 0.000 0.494 281 E N 1.740 121.927 120.200 -0.022 0.000 2.415 281 E HA -0.053 4.297 4.350 -0.000 0.000 0.263 281 E C -0.786 175.764 176.600 -0.082 0.000 0.995 281 E CA 0.516 56.888 56.400 -0.047 0.000 0.915 281 E CB 0.671 30.348 29.700 -0.038 0.000 0.951 281 E HN -0.165 nan 8.360 nan 0.000 0.449 282 T N 6.260 120.738 114.554 -0.127 0.000 3.241 282 T HA 0.363 4.713 4.350 -0.000 0.000 0.387 282 T C -2.565 171.948 174.700 -0.311 0.000 1.451 282 T CA -2.000 59.979 62.100 -0.202 0.000 1.363 282 T CB 0.553 69.349 68.868 -0.120 0.000 1.074 282 T HN 0.331 nan 8.240 nan 0.000 0.598 283 P HA 0.280 nan 4.420 nan 0.000 0.269 283 P C -0.635 176.387 177.300 -0.463 0.000 1.217 283 P CA -0.159 62.647 63.100 -0.490 0.000 0.783 283 P CB 0.565 31.919 31.700 -0.577 0.000 0.898 284 S N 0.103 115.688 115.700 -0.193 0.000 2.521 284 S HA 0.558 5.028 4.470 -0.000 0.000 0.295 284 S C -1.205 173.414 174.600 0.031 0.000 1.098 284 S CA -0.629 57.527 58.200 -0.072 0.000 0.999 284 S CB 1.200 64.369 63.200 -0.051 0.000 1.034 284 S HN 0.283 nan 8.310 nan 0.000 0.483 285 V N 4.217 124.183 119.914 0.086 0.000 2.638 285 V HA 0.695 4.815 4.120 -0.000 0.000 0.306 285 V C -0.698 175.425 176.094 0.047 0.000 1.052 285 V CA -0.132 62.235 62.300 0.112 0.000 0.885 285 V CB 2.010 33.939 31.823 0.178 0.000 0.999 285 V HN 0.881 nan 8.190 nan 0.000 0.424 286 T N 6.268 120.856 114.554 0.057 0.000 2.829 286 T HA 0.894 5.244 4.350 -0.000 0.000 0.282 286 T C -0.051 174.651 174.700 0.005 0.000 0.990 286 T CA 0.252 62.363 62.100 0.018 0.000 1.028 286 T CB 1.519 70.406 68.868 0.032 0.000 0.951 286 T HN 1.273 nan 8.240 nan 0.000 0.460 287 A N 1.686 124.446 122.820 -0.099 0.000 2.533 287 A HA 0.675 4.995 4.320 -0.000 0.000 0.293 287 A C 0.166 177.673 177.584 -0.129 0.000 1.228 287 A CA -0.651 51.273 52.037 -0.188 0.000 0.689 287 A CB 0.800 19.467 19.000 -0.554 0.000 1.303 287 A HN 0.672 nan 8.150 nan 0.000 0.444 288 D N -1.298 119.028 120.400 -0.123 0.000 2.240 288 D HA 0.172 4.812 4.640 -0.000 0.000 0.206 288 D C -0.609 175.337 176.300 -0.590 0.000 0.963 288 D CA 1.816 55.638 54.000 -0.297 0.000 0.863 288 D CB 0.197 40.895 40.800 -0.169 0.000 0.973 288 D HN 0.452 nan 8.370 nan 0.000 0.501 289 Y N -1.038 119.224 120.300 -0.063 0.000 2.625 289 Y HA 0.446 4.996 4.550 -0.000 0.000 0.338 289 Y C -0.599 175.253 175.900 -0.080 0.000 1.123 289 Y CA -1.146 56.932 58.100 -0.036 0.000 1.046 289 Y CB 2.345 40.760 38.460 -0.076 0.000 1.299 289 Y HN -0.358 nan 8.280 nan 0.000 0.464 290 V N 3.441 123.444 119.914 0.148 0.000 2.808 290 V HA 0.647 4.766 4.120 -0.000 0.000 0.308 290 V C -1.647 174.463 176.094 0.026 0.000 1.099 290 V CA -0.727 61.588 62.300 0.026 0.000 0.920 290 V CB 1.683 33.498 31.823 -0.014 0.000 1.014 290 V HN 0.671 nan 8.190 nan 0.000 0.425 291 I N 6.797 127.344 120.570 -0.038 0.000 2.382 291 I HA 0.420 4.590 4.170 -0.000 0.000 0.286 291 I C -0.404 175.659 176.117 -0.091 0.000 1.002 291 I CA -0.925 60.339 61.300 -0.059 0.000 1.135 291 I CB 1.916 39.887 38.000 -0.049 0.000 1.288 291 I HN 0.316 nan 8.210 nan 0.000 0.448 292 V N 5.782 125.583 119.914 -0.190 0.000 2.408 292 V HA 0.062 4.182 4.120 -0.000 0.000 0.267 292 V C 0.314 176.460 176.094 0.086 0.000 1.047 292 V CA -0.126 62.140 62.300 -0.057 0.000 0.937 292 V CB 0.898 32.674 31.823 -0.078 0.000 0.999 292 V HN 0.913 nan 8.190 nan 0.000 0.472 293 C N 3.646 123.005 119.300 0.098 0.000 2.660 293 C HA 0.310 4.770 4.460 -0.000 0.000 0.265 293 C C 1.338 176.421 174.990 0.156 0.000 1.573 293 C CA -0.409 58.682 59.018 0.121 0.000 1.751 293 C CB -1.209 26.560 27.740 0.047 0.000 3.033 293 C HN 0.959 nan 8.230 nan 0.000 0.511 294 T N -1.235 113.449 114.554 0.217 0.000 2.852 294 T HA 0.536 4.886 4.350 -0.000 0.000 0.281 294 T C 0.483 175.354 174.700 0.284 0.000 0.993 294 T CA -0.006 62.212 62.100 0.197 0.000 0.933 294 T CB 0.719 69.689 68.868 0.169 0.000 1.187 294 T HN 0.409 nan 8.240 nan 0.000 0.559 295 T N -0.709 113.959 114.554 0.190 0.000 2.813 295 T HA 0.254 4.604 4.350 -0.000 0.000 0.297 295 T C 1.702 176.385 174.700 -0.028 0.000 1.036 295 T CA -0.198 62.000 62.100 0.162 0.000 1.044 295 T CB 0.515 69.384 68.868 0.002 0.000 0.993 295 T HN 0.834 nan 8.240 nan 0.000 0.535 296 S N 1.181 116.659 115.700 -0.370 0.000 2.382 296 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 296 S C 2.005 176.441 174.600 -0.273 0.000 1.027 296 S CA 0.599 58.399 58.200 -0.667 0.000 0.991 296 S CB -0.543 62.102 63.200 -0.924 0.000 0.823 296 S HN 0.741 nan 8.310 nan 0.000 0.469 297 R N 1.532 121.894 120.500 -0.230 0.000 2.092 297 R HA 0.120 4.460 4.340 -0.000 0.000 0.231 297 R C 2.726 178.988 176.300 -0.064 0.000 1.119 297 R CA 1.174 57.181 56.100 -0.155 0.000 0.970 297 R CB -0.740 29.433 30.300 -0.213 0.000 0.864 297 R HN 0.566 nan 8.270 nan 0.000 0.440 298 A N 0.706 123.507 122.820 -0.032 0.000 2.019 298 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 298 A C 2.273 179.919 177.584 0.103 0.000 1.164 298 A CA 1.176 53.244 52.037 0.051 0.000 0.644 298 A CB -0.367 18.688 19.000 0.091 0.000 0.805 298 A HN 0.115 nan 8.150 nan 0.000 0.449 299 V N 0.071 120.055 119.914 0.117 0.000 2.407 299 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 299 V C 2.429 178.675 176.094 0.254 0.000 1.055 299 V CA 2.109 64.556 62.300 0.246 0.000 1.049 299 V CB -0.838 31.124 31.823 0.231 0.000 0.662 299 V HN 0.546 nan 8.190 nan 0.000 0.455 300 R N -0.347 120.223 120.500 0.116 0.000 2.285 300 R HA 0.038 4.378 4.340 -0.000 0.000 0.213 300 R C 1.907 178.273 176.300 0.110 0.000 1.068 300 R CA 0.772 56.932 56.100 0.100 0.000 1.004 300 R CB -0.217 30.097 30.300 0.023 0.000 0.873 300 R HN 0.462 nan 8.270 nan 0.000 0.467 301 L N 0.338 121.624 121.223 0.106 0.000 2.446 301 L HA 0.153 4.492 4.340 -0.000 0.000 0.219 301 L C 0.719 177.635 176.870 0.076 0.000 1.116 301 L CA 0.124 55.011 54.840 0.078 0.000 0.844 301 L CB 0.128 42.226 42.059 0.066 0.000 0.970 301 L HN 0.063 nan 8.230 nan 0.000 0.457 302 I N 0.806 121.442 120.570 0.109 0.000 2.395 302 I HA 0.064 4.234 4.170 -0.000 0.000 0.289 302 I C 0.528 176.633 176.117 -0.021 0.000 1.023 302 I CA -0.117 61.171 61.300 -0.020 0.000 1.350 302 I CB 1.123 39.037 38.000 -0.143 0.000 1.409 302 I HN -0.012 nan 8.210 nan 0.000 0.507 303 K N 6.721 127.061 120.400 -0.101 0.000 2.285 303 K HA 0.349 4.669 4.320 -0.000 0.000 0.286 303 K C -1.317 175.204 176.600 -0.132 0.000 1.072 303 K CA -0.269 56.006 56.287 -0.021 0.000 0.913 303 K CB 0.480 32.971 32.500 -0.014 0.000 1.067 303 K HN 0.284 nan 8.250 nan 0.000 0.479 304 F N 2.881 122.859 119.950 0.047 0.000 2.422 304 F HA 0.304 4.831 4.527 -0.000 0.000 0.333 304 F C 0.314 176.137 175.800 0.038 0.000 1.095 304 F CA -0.719 57.312 58.000 0.051 0.000 1.038 304 F CB 1.490 40.535 39.000 0.076 0.000 1.156 304 F HN 0.526 nan 8.300 nan 0.000 0.483 305 N N 4.139 122.955 118.700 0.193 0.000 2.558 305 N HA 0.354 5.094 4.740 -0.000 0.000 0.285 305 N C -3.085 172.490 175.510 0.108 0.000 1.112 305 N CA -2.119 51.002 53.050 0.120 0.000 0.857 305 N CB 1.953 40.477 38.487 0.062 0.000 1.376 305 N HN 0.068 nan 8.380 nan 0.000 0.526 306 P HA 0.245 nan 4.420 nan 0.000 0.272 306 P C -2.666 174.718 177.300 0.139 0.000 1.230 306 P CA -0.859 62.298 63.100 0.096 0.000 0.788 306 P CB 0.023 31.762 31.700 0.065 0.000 0.949 307 P HA 0.094 nan 4.420 nan 0.000 0.269 307 P C 0.086 177.407 177.300 0.036 0.000 1.215 307 P CA 0.051 63.222 63.100 0.117 0.000 0.780 307 P CB 0.597 32.344 31.700 0.078 0.000 0.898 308 L N 1.842 123.030 121.223 -0.059 0.000 2.490 308 L HA 0.071 4.411 4.340 -0.000 0.000 0.274 308 L C 1.208 178.023 176.870 -0.091 0.000 1.201 308 L CA -0.233 54.508 54.840 -0.166 0.000 0.869 308 L CB -0.399 41.450 42.059 -0.350 0.000 1.123 308 L HN 0.287 nan 8.230 nan 0.000 0.484 309 L N 4.803 125.980 121.223 -0.077 0.000 2.483 309 L HA -0.012 4.328 4.340 -0.000 0.000 0.275 309 L C -1.118 175.723 176.870 -0.048 0.000 1.220 309 L CA -1.155 53.658 54.840 -0.046 0.000 0.833 309 L CB -0.092 41.946 42.059 -0.035 0.000 1.102 309 L HN 0.466 nan 8.230 nan 0.000 0.490 310 P HA -0.231 nan 4.420 nan 0.000 0.217 310 P C 1.113 178.424 177.300 0.019 0.000 1.162 310 P CA 1.638 64.737 63.100 -0.002 0.000 0.901 310 P CB 0.138 31.845 31.700 0.012 0.000 0.793 311 K N -0.332 120.075 120.400 0.011 0.000 2.026 311 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 311 K C 2.230 178.808 176.600 -0.036 0.000 1.048 311 K CA 1.483 57.779 56.287 0.014 0.000 0.929 311 K CB -0.355 32.139 32.500 -0.010 0.000 0.713 311 K HN 0.110 nan 8.250 nan 0.000 0.439 312 K N 0.918 121.262 120.400 -0.093 0.000 2.057 312 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 312 K C 2.159 178.642 176.600 -0.196 0.000 1.050 312 K CA 1.175 57.354 56.287 -0.180 0.000 0.935 312 K CB -0.101 32.246 32.500 -0.256 0.000 0.715 312 K HN 0.113 nan 8.250 nan 0.000 0.439 313 A N 1.035 123.772 122.820 -0.138 0.000 1.908 313 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 313 A C 2.089 179.629 177.584 -0.073 0.000 1.181 313 A CA 1.918 53.886 52.037 -0.115 0.000 0.627 313 A CB -0.979 17.977 19.000 -0.073 0.000 0.818 313 A HN 0.543 nan 8.150 nan 0.000 0.445 314 H N 0.260 119.234 119.070 -0.161 0.000 2.326 314 H HA 0.048 4.604 4.556 -0.000 0.000 0.301 314 H C 2.287 177.340 175.328 -0.459 0.000 1.081 314 H CA 1.649 57.597 56.048 -0.168 0.000 1.334 314 H CB -0.642 29.116 29.762 -0.006 0.000 1.385 314 H HN 0.367 nan 8.280 nan 0.000 0.504 315 A N 0.919 123.387 122.820 -0.585 0.000 1.908 315 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 315 A C 2.823 179.980 177.584 -0.711 0.000 1.181 315 A CA 1.627 52.938 52.037 -1.209 0.000 0.627 315 A CB -1.017 17.600 19.000 -0.639 0.000 0.818 315 A HN 0.454 nan 8.150 nan 0.000 0.445 316 L N -1.138 119.843 121.223 -0.403 0.000 2.131 316 L HA -0.178 4.161 4.340 -0.000 0.000 0.210 316 L C 2.776 179.510 176.870 -0.226 0.000 1.092 316 L CA 1.759 56.412 54.840 -0.311 0.000 0.759 316 L CB -0.430 41.477 42.059 -0.254 0.000 0.903 316 L HN 0.529 nan 8.230 nan 0.000 0.435 317 R N -0.279 120.116 120.500 -0.175 0.000 2.073 317 R HA -0.087 4.253 4.340 -0.000 0.000 0.229 317 R C 2.148 178.414 176.300 -0.057 0.000 1.120 317 R CA 1.705 57.759 56.100 -0.077 0.000 0.967 317 R CB -0.014 30.280 30.300 -0.010 0.000 0.862 317 R HN 0.153 nan 8.270 nan 0.000 0.436 318 S N 0.052 115.667 115.700 -0.141 0.000 2.486 318 S HA 0.129 4.598 4.470 -0.000 0.000 0.220 318 S C 0.334 174.890 174.600 -0.073 0.000 1.011 318 S CA -0.119 58.039 58.200 -0.070 0.000 0.921 318 S CB 0.536 63.743 63.200 0.011 0.000 0.785 318 S HN 0.064 nan 8.310 nan 0.000 0.517 319 V N 3.706 123.469 119.914 -0.253 0.000 2.539 319 V HA -0.056 4.064 4.120 -0.000 0.000 0.300 319 V C 0.405 176.569 176.094 0.117 0.000 1.019 319 V CA 0.366 62.592 62.300 -0.124 0.000 1.160 319 V CB -0.475 31.250 31.823 -0.163 0.000 0.901 319 V HN 0.431 nan 8.190 nan 0.000 0.481 320 H N 5.156 124.263 119.070 0.060 0.000 2.562 320 H HA 0.461 5.017 4.556 -0.000 0.000 0.352 320 H C -1.044 174.313 175.328 0.048 0.000 1.125 320 H CA -0.026 56.106 56.048 0.140 0.000 1.379 320 H CB 0.542 30.404 29.762 0.167 0.000 1.464 320 H HN 0.542 nan 8.280 nan 0.000 0.563 321 Y N 2.222 122.191 120.300 -0.552 0.000 2.462 321 Y HA 0.302 4.852 4.550 -0.000 0.000 0.346 321 Y C -0.168 175.439 175.900 -0.487 0.000 0.976 321 Y CA -0.992 56.895 58.100 -0.355 0.000 1.044 321 Y CB 1.387 39.740 38.460 -0.179 0.000 1.230 321 Y HN 0.662 nan 8.280 nan 0.000 0.455 322 R N 0.838 121.290 120.500 -0.080 0.000 2.474 322 R HA 0.761 5.101 4.340 -0.000 0.000 0.295 322 R C -0.652 175.706 176.300 0.096 0.000 0.980 322 R CA -0.719 55.394 56.100 0.021 0.000 0.934 322 R CB 1.348 31.681 30.300 0.054 0.000 1.101 322 R HN 0.530 nan 8.270 nan 0.000 0.469 323 S N 0.400 116.181 115.700 0.134 0.000 2.584 323 S HA 0.467 4.937 4.470 -0.000 0.000 0.270 323 S C 0.090 174.808 174.600 0.197 0.000 1.346 323 S CA 0.170 58.476 58.200 0.176 0.000 1.018 323 S CB 1.209 64.519 63.200 0.183 0.000 0.899 323 S HN 0.778 nan 8.310 nan 0.000 0.542 324 G N 0.833 109.801 108.800 0.280 0.000 2.711 324 G HA2 0.528 4.488 3.960 -0.000 0.000 0.288 324 G HA3 0.528 4.488 3.960 -0.000 0.000 0.288 324 G C -1.200 173.956 174.900 0.427 0.000 1.451 324 G CA -0.441 44.882 45.100 0.372 0.000 1.186 324 G HN 0.560 nan 8.290 nan 0.000 0.560 325 T N 2.044 116.812 114.554 0.358 0.000 2.881 325 T HA 0.529 4.879 4.350 -0.000 0.000 0.290 325 T C -0.421 174.359 174.700 0.134 0.000 1.000 325 T CA -0.584 61.633 62.100 0.196 0.000 0.978 325 T CB 1.802 70.728 68.868 0.097 0.000 0.997 325 T HN 0.400 nan 8.240 nan 0.000 0.443 326 K N 2.862 123.262 120.400 -0.001 0.000 2.376 326 K HA 0.602 4.922 4.320 -0.000 0.000 0.257 326 K C -0.919 175.479 176.600 -0.336 0.000 0.939 326 K CA -0.654 55.490 56.287 -0.237 0.000 0.809 326 K CB 2.149 34.447 32.500 -0.337 0.000 1.121 326 K HN 0.491 nan 8.250 nan 0.000 0.425 327 I N 3.983 124.243 120.570 -0.517 0.000 2.355 327 I HA 0.318 4.487 4.170 -0.000 0.000 0.288 327 I C -0.887 174.917 176.117 -0.520 0.000 0.999 327 I CA -0.754 60.291 61.300 -0.425 0.000 1.163 327 I CB 0.622 38.332 38.000 -0.484 0.000 1.316 327 I HN 0.355 nan 8.210 nan 0.000 0.454 328 F N 6.571 126.373 119.950 -0.248 0.000 2.436 328 F HA 0.543 5.070 4.527 -0.000 0.000 0.340 328 F C -0.090 175.529 175.800 -0.302 0.000 1.113 328 F CA -0.676 57.184 58.000 -0.233 0.000 1.022 328 F CB 1.143 40.050 39.000 -0.154 0.000 1.128 328 F HN 0.118 nan 8.300 nan 0.000 0.466 329 L N 3.152 124.269 121.223 -0.177 0.000 2.325 329 L HA 0.473 4.813 4.340 -0.000 0.000 0.281 329 L C -0.380 176.314 176.870 -0.294 0.000 1.004 329 L CA -0.546 54.140 54.840 -0.257 0.000 0.823 329 L CB 1.937 43.867 42.059 -0.215 0.000 1.236 329 L HN 0.564 nan 8.230 nan 0.000 0.415 330 T N 1.998 116.223 114.554 -0.549 0.000 2.744 330 T HA 0.376 4.726 4.350 -0.000 0.000 0.291 330 T C -0.247 174.309 174.700 -0.242 0.000 0.957 330 T CA -0.242 61.479 62.100 -0.632 0.000 1.002 330 T CB 0.502 68.651 68.868 -1.199 0.000 0.919 330 T HN 0.541 nan 8.240 nan 0.000 0.468 331 c N 2.904 121.490 118.600 -0.024 0.000 2.456 331 c HA 0.539 5.109 4.570 -0.000 0.000 0.325 331 c C 1.955 176.115 174.090 0.116 0.000 1.217 331 c CA -0.813 55.615 56.329 0.165 0.000 1.687 331 c CB 1.146 43.853 42.510 0.328 0.000 2.270 331 c HN 1.018 nan 8.230 nan 0.000 0.499 332 T N -2.222 112.419 114.554 0.146 0.000 3.044 332 T HA 0.080 4.430 4.350 -0.000 0.000 0.250 332 T C 0.478 175.180 174.700 0.003 0.000 1.081 332 T CA 0.465 62.621 62.100 0.094 0.000 1.040 332 T CB -0.122 68.823 68.868 0.129 0.000 0.962 332 T HN 0.641 nan 8.240 nan 0.000 0.506 333 T N 2.679 117.209 114.554 -0.040 0.000 2.892 333 T HA 0.341 4.691 4.350 -0.000 0.000 0.311 333 T C -0.419 174.020 174.700 -0.435 0.000 1.033 333 T CA -0.722 61.201 62.100 -0.294 0.000 0.991 333 T CB 1.334 69.825 68.868 -0.628 0.000 0.981 333 T HN 0.169 nan 8.240 nan 0.000 0.457 334 K N 3.548 123.538 120.400 -0.682 0.000 2.278 334 K HA 0.129 4.449 4.320 -0.000 0.000 0.237 334 K C 1.121 176.809 176.600 -1.520 0.000 1.229 334 K CA -0.274 55.076 56.287 -1.561 0.000 1.155 334 K CB -0.421 31.298 32.500 -1.302 0.000 1.590 334 K HN 0.689 nan 8.250 nan 0.000 0.290 335 F N -0.580 118.817 119.950 -0.923 0.000 2.236 335 F HA -0.214 4.313 4.527 -0.000 0.000 0.302 335 F C 1.508 177.094 175.800 -0.357 0.000 1.073 335 F CA 0.468 58.155 58.000 -0.522 0.000 1.336 335 F CB -0.829 38.042 39.000 -0.216 0.000 1.040 335 F HN 0.418 nan 8.300 nan 0.000 0.507 336 W N 1.330 122.219 121.300 -0.685 0.000 2.465 336 W HA 0.100 4.760 4.660 -0.000 0.000 0.268 336 W C 1.522 177.853 176.519 -0.313 0.000 1.242 336 W CA 0.836 57.914 57.345 -0.445 0.000 1.248 336 W CB -1.254 27.834 29.460 -0.619 0.000 1.118 336 W HN 0.096 nan 8.180 nan 0.000 0.587 337 E N 0.927 120.712 120.200 -0.692 0.000 2.268 337 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 337 E C 1.228 177.675 176.600 -0.255 0.000 0.995 337 E CA 1.235 57.331 56.400 -0.507 0.000 0.836 337 E CB -0.328 29.081 29.700 -0.485 0.000 0.763 337 E HN 0.336 nan 8.360 nan 0.000 0.491 338 D N 1.053 121.356 120.400 -0.163 0.000 2.310 338 D HA -0.093 4.547 4.640 -0.000 0.000 0.212 338 D C 0.858 177.179 176.300 0.036 0.000 0.965 338 D CA 0.807 54.783 54.000 -0.039 0.000 0.879 338 D CB -0.021 40.784 40.800 0.007 0.000 0.921 338 D HN 0.112 nan 8.370 nan 0.000 0.510 339 D N -0.575 119.865 120.400 0.066 0.000 2.328 339 D HA 0.141 4.781 4.640 -0.000 0.000 0.221 339 D C 1.368 177.639 176.300 -0.048 0.000 1.072 339 D CA 0.252 54.323 54.000 0.118 0.000 0.850 339 D CB 0.639 41.641 40.800 0.337 0.000 0.922 339 D HN 0.195 nan 8.370 nan 0.000 0.516 340 G N 1.403 110.139 108.800 -0.106 0.000 2.147 340 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.244 340 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.244 340 G C 0.276 175.016 174.900 -0.268 0.000 1.005 340 G CA -0.269 44.754 45.100 -0.128 0.000 0.713 340 G HN 0.360 nan 8.290 nan 0.000 0.515 341 I N 1.516 121.843 120.570 -0.405 0.000 2.342 341 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 341 I C 0.071 175.818 176.117 -0.616 0.000 1.010 341 I CA -0.606 60.435 61.300 -0.431 0.000 1.308 341 I CB 0.851 38.573 38.000 -0.464 0.000 1.400 341 I HN 0.089 nan 8.210 nan 0.000 0.488 342 H N 5.440 124.478 119.070 -0.053 0.000 2.974 342 H HA 0.398 4.954 4.556 -0.000 0.000 0.285 342 H C 0.299 175.597 175.328 -0.050 0.000 1.227 342 H CA -0.202 55.840 56.048 -0.011 0.000 1.569 342 H CB 1.326 31.071 29.762 -0.028 0.000 1.648 342 H HN 0.904 nan 8.280 nan 0.000 0.521 343 G N 1.057 109.866 108.800 0.014 0.000 2.757 343 G HA2 0.234 4.194 3.960 -0.000 0.000 0.638 343 G HA3 0.234 4.194 3.960 -0.000 0.000 0.638 343 G C 0.206 175.072 174.900 -0.056 0.000 1.344 343 G CA -0.181 44.877 45.100 -0.069 0.000 0.855 343 G HN 1.328 nan 8.290 nan 0.000 0.537 344 G N -0.838 107.894 108.800 -0.113 0.000 2.660 344 G HA2 0.501 4.461 3.960 -0.000 0.000 0.215 344 G HA3 0.501 4.461 3.960 -0.000 0.000 0.215 344 G C -0.200 174.689 174.900 -0.018 0.000 1.345 344 G CA 0.971 46.032 45.100 -0.064 0.000 0.877 344 G HN 2.599 nan 8.290 nan 0.000 0.549 345 K N -1.851 118.504 120.400 -0.074 0.000 2.556 345 K HA 0.787 5.107 4.320 -0.000 0.000 0.274 345 K C -0.802 175.767 176.600 -0.052 0.000 0.966 345 K CA -0.672 55.499 56.287 -0.192 0.000 0.865 345 K CB 1.659 33.717 32.500 -0.737 0.000 1.444 345 K HN 0.752 nan 8.250 nan 0.000 0.433 346 S N 0.423 116.123 115.700 -0.000 0.000 2.549 346 S HA 0.539 5.009 4.470 -0.000 0.000 0.297 346 S C -0.987 173.528 174.600 -0.141 0.000 1.115 346 S CA -0.596 57.598 58.200 -0.011 0.000 1.059 346 S CB 1.738 65.052 63.200 0.190 0.000 1.046 346 S HN 0.554 nan 8.310 nan 0.000 0.506 347 T N 1.883 116.284 114.554 -0.255 0.000 2.841 347 T HA 0.698 5.048 4.350 -0.000 0.000 0.283 347 T C -0.328 174.271 174.700 -0.167 0.000 1.000 347 T CA -0.508 61.400 62.100 -0.320 0.000 0.977 347 T CB 1.731 70.442 68.868 -0.262 0.000 0.979 347 T HN 0.561 nan 8.240 nan 0.000 0.446 348 T N 0.480 114.869 114.554 -0.275 0.000 2.843 348 T HA 0.413 4.763 4.350 -0.000 0.000 0.302 348 T C -0.635 173.981 174.700 -0.141 0.000 1.232 348 T CA -0.728 61.333 62.100 -0.066 0.000 1.009 348 T CB 1.448 70.341 68.868 0.042 0.000 1.254 348 T HN 0.584 nan 8.240 nan 0.000 0.504 349 D N 1.542 121.922 120.400 -0.033 0.000 2.340 349 D HA 0.222 4.862 4.640 -0.000 0.000 0.217 349 D C 0.790 177.047 176.300 -0.072 0.000 1.081 349 D CA -0.111 53.852 54.000 -0.062 0.000 0.842 349 D CB -0.241 40.542 40.800 -0.028 0.000 0.934 349 D HN 0.376 nan 8.370 nan 0.000 0.511 350 L N 0.236 121.439 121.223 -0.034 0.000 2.472 350 L HA 0.201 4.541 4.340 -0.000 0.000 0.260 350 L C -1.092 175.694 176.870 -0.139 0.000 1.209 350 L CA -1.754 53.051 54.840 -0.058 0.000 0.817 350 L CB 0.504 42.565 42.059 0.003 0.000 1.106 350 L HN -0.253 nan 8.230 nan 0.000 0.479 351 P HA -0.168 nan 4.420 nan 0.000 0.217 351 P C 1.375 178.730 177.300 0.092 0.000 1.148 351 P CA 1.226 64.147 63.100 -0.299 0.000 0.834 351 P CB 0.210 31.598 31.700 -0.520 0.000 0.783 352 S N -1.525 114.246 115.700 0.119 0.000 2.399 352 S HA -0.146 4.324 4.470 -0.000 0.000 0.231 352 S C 1.233 175.845 174.600 0.021 0.000 1.022 352 S CA 0.867 59.137 58.200 0.116 0.000 0.983 352 S CB -0.423 62.788 63.200 0.018 0.000 0.803 352 S HN 0.031 nan 8.310 nan 0.000 0.480 353 R N -0.960 119.473 120.500 -0.111 0.000 1.252 353 R HA -0.224 4.116 4.340 -0.000 0.000 0.031 353 R C -0.568 175.289 176.300 -0.740 0.000 0.958 353 R CA 2.092 57.970 56.100 -0.370 0.000 1.965 353 R CB -1.456 28.742 30.300 -0.170 0.000 0.201 353 R HN 0.497 nan 8.270 nan 0.000 0.724 354 F N 0.507 120.442 119.950 -0.025 0.000 2.557 354 F HA 0.517 5.044 4.527 -0.000 0.000 0.316 354 F C 0.134 175.883 175.800 -0.084 0.000 1.141 354 F CA -0.893 57.061 58.000 -0.076 0.000 0.922 354 F CB 1.590 40.579 39.000 -0.017 0.000 1.194 354 F HN -0.139 nan 8.300 nan 0.000 0.443 355 I N 4.096 124.602 120.570 -0.107 0.000 2.330 355 I HA 0.260 4.430 4.170 -0.000 0.000 0.289 355 I C -0.842 174.923 176.117 -0.587 0.000 1.001 355 I CA -1.033 60.093 61.300 -0.290 0.000 1.193 355 I CB 0.835 38.640 38.000 -0.324 0.000 1.345 355 I HN 0.489 nan 8.210 nan 0.000 0.461 356 Y N 5.944 125.947 120.300 -0.494 0.000 2.342 356 Y HA 0.435 4.985 4.550 -0.000 0.000 0.334 356 Y C -0.287 175.154 175.900 -0.765 0.000 1.067 356 Y CA -0.361 57.468 58.100 -0.453 0.000 1.128 356 Y CB 1.289 39.670 38.460 -0.133 0.000 1.200 356 Y HN 0.336 nan 8.280 nan 0.000 0.464 357 Y N 3.933 124.073 120.300 -0.266 0.000 2.387 357 Y HA 0.393 4.943 4.550 -0.000 0.000 0.336 357 Y C -2.084 173.599 175.900 -0.362 0.000 1.067 357 Y CA -3.075 54.711 58.100 -0.525 0.000 1.114 357 Y CB 0.686 38.779 38.460 -0.611 0.000 1.208 357 Y HN 0.422 nan 8.280 nan 0.000 0.458 358 P HA -0.034 nan 4.420 nan 0.000 0.266 358 P C -0.395 176.762 177.300 -0.240 0.000 1.195 358 P CA 0.170 63.091 63.100 -0.297 0.000 0.768 358 P CB 1.027 32.487 31.700 -0.399 0.000 0.838 359 N N 0.572 119.117 118.700 -0.258 0.000 2.236 359 N HA 0.017 4.757 4.740 -0.000 0.000 0.196 359 N C 0.535 176.027 175.510 -0.031 0.000 1.114 359 N CA 0.209 53.195 53.050 -0.106 0.000 0.859 359 N CB 0.172 38.624 38.487 -0.057 0.000 0.982 359 N HN 0.671 nan 8.380 nan 0.000 0.493 360 H N -1.326 117.698 119.070 -0.077 0.000 2.797 360 H HA 0.450 5.006 4.556 -0.000 0.000 0.372 360 H C -0.888 174.281 175.328 -0.265 0.000 1.168 360 H CA -0.662 55.301 56.048 -0.141 0.000 1.163 360 H CB 1.064 30.734 29.762 -0.154 0.000 1.778 360 H HN -0.233 nan 8.280 nan 0.000 0.551 361 N N 0.509 119.130 118.700 -0.131 0.000 2.384 361 N HA 0.314 5.054 4.740 -0.000 0.000 0.301 361 N C -1.250 174.161 175.510 -0.164 0.000 1.133 361 N CA -0.388 52.571 53.050 -0.152 0.000 0.853 361 N CB 1.830 40.306 38.487 -0.018 0.000 1.241 361 N HN 0.278 nan 8.380 nan 0.000 0.502 362 F N 0.258 120.303 119.950 0.158 0.000 2.469 362 F HA 0.279 4.806 4.527 -0.000 0.000 0.332 362 F C 1.875 177.752 175.800 0.127 0.000 1.103 362 F CA -0.743 57.360 58.000 0.171 0.000 0.979 362 F CB 1.209 40.327 39.000 0.196 0.000 1.137 362 F HN 0.406 nan 8.300 nan 0.000 0.463 363 T N 0.543 115.294 114.554 0.328 0.000 2.624 363 T HA -0.332 4.018 4.350 -0.000 0.000 0.266 363 T C 1.464 176.266 174.700 0.170 0.000 1.050 363 T CA 2.267 64.488 62.100 0.201 0.000 1.163 363 T CB -0.471 68.498 68.868 0.169 0.000 0.861 363 T HN 0.639 nan 8.240 nan 0.000 0.443 364 N N 1.603 120.418 118.700 0.192 0.000 2.571 364 N HA 0.202 4.942 4.740 -0.000 0.000 0.189 364 N C 1.305 176.900 175.510 0.141 0.000 1.154 364 N CA 0.839 53.979 53.050 0.151 0.000 0.907 364 N CB -0.719 37.860 38.487 0.152 0.000 0.977 364 N HN 0.643 nan 8.380 nan 0.000 0.449 365 G N -1.419 107.478 108.800 0.162 0.000 2.179 365 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 365 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 365 G C -0.148 174.828 174.900 0.127 0.000 0.977 365 G CA 0.256 45.423 45.100 0.111 0.000 0.641 365 G HN 0.336 nan 8.290 nan 0.000 0.533 366 V N 0.604 120.647 119.914 0.215 0.000 2.811 366 V HA 0.592 4.712 4.120 -0.000 0.000 0.302 366 V C 1.104 177.377 176.094 0.298 0.000 1.063 366 V CA 0.826 63.249 62.300 0.206 0.000 1.088 366 V CB 1.540 33.464 31.823 0.169 0.000 0.982 366 V HN 0.969 nan 8.190 nan 0.000 0.485 367 G N 2.926 111.857 108.800 0.219 0.000 2.617 367 G HA2 0.604 4.564 3.960 -0.000 0.000 0.306 367 G HA3 0.604 4.564 3.960 -0.000 0.000 0.306 367 G C -1.520 173.511 174.900 0.218 0.000 1.360 367 G CA -0.427 44.861 45.100 0.313 0.000 0.983 367 G HN 0.550 nan 8.290 nan 0.000 0.496 368 V N 3.248 123.222 119.914 0.099 0.000 2.409 368 V HA 0.490 4.610 4.120 -0.000 0.000 0.291 368 V C 0.304 176.285 176.094 -0.188 0.000 1.020 368 V CA -0.640 61.634 62.300 -0.043 0.000 0.848 368 V CB 0.941 32.802 31.823 0.064 0.000 0.990 368 V HN 0.742 nan 8.190 nan 0.000 0.430 369 I N 3.208 123.586 120.570 -0.320 0.000 2.607 369 I HA 0.749 4.919 4.170 -0.000 0.000 0.305 369 I C -0.724 175.161 176.117 -0.387 0.000 0.995 369 I CA -0.746 60.240 61.300 -0.523 0.000 1.148 369 I CB 1.853 39.396 38.000 -0.762 0.000 1.323 369 I HN 0.377 nan 8.210 nan 0.000 0.461 370 I N 3.680 123.997 120.570 -0.422 0.000 2.545 370 I HA 0.626 4.796 4.170 -0.000 0.000 0.292 370 I C -0.167 175.767 176.117 -0.306 0.000 1.040 370 I CA -0.818 60.201 61.300 -0.470 0.000 1.068 370 I CB 2.063 39.753 38.000 -0.516 0.000 1.251 370 I HN 0.769 nan 8.210 nan 0.000 0.424 371 A N 5.539 128.163 122.820 -0.326 0.000 2.260 371 A HA 0.648 4.968 4.320 -0.000 0.000 0.314 371 A C -1.491 176.052 177.584 -0.068 0.000 1.257 371 A CA -0.281 51.657 52.037 -0.163 0.000 0.871 371 A CB 0.531 19.393 19.000 -0.229 0.000 1.166 371 A HN 0.589 nan 8.150 nan 0.000 0.522 372 Y N 1.902 122.188 120.300 -0.023 0.000 2.346 372 Y HA 0.624 5.174 4.550 -0.000 0.000 0.332 372 Y C 0.031 176.020 175.900 0.149 0.000 0.985 372 Y CA -1.172 56.932 58.100 0.007 0.000 1.112 372 Y CB 1.556 40.013 38.460 -0.005 0.000 1.170 372 Y HN 0.838 nan 8.280 nan 0.000 0.447 373 G N 5.216 114.084 108.800 0.112 0.000 2.563 373 G HA2 0.661 4.621 3.960 -0.000 0.000 0.302 373 G HA3 0.661 4.621 3.960 -0.000 0.000 0.302 373 G C -1.772 173.092 174.900 -0.060 0.000 1.301 373 G CA -0.887 44.215 45.100 0.005 0.000 0.965 373 G HN 0.688 nan 8.290 nan 0.000 0.480 374 I N -1.097 119.417 120.570 -0.093 0.000 3.002 374 I HA 0.950 5.120 4.170 -0.000 0.000 0.310 374 I C 0.959 177.103 176.117 0.045 0.000 1.087 374 I CA -0.436 60.843 61.300 -0.035 0.000 1.017 374 I CB 1.289 39.194 38.000 -0.159 0.000 1.226 374 I HN 1.533 nan 8.210 nan 0.000 0.443 375 G N 2.076 110.928 108.800 0.087 0.000 2.596 375 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.295 375 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.295 375 G C 0.513 175.522 174.900 0.181 0.000 1.240 375 G CA 0.840 46.023 45.100 0.139 0.000 0.985 375 G HN 0.817 nan 8.290 nan 0.000 0.555 376 D N 0.750 121.271 120.400 0.201 0.000 2.221 376 D HA -0.016 4.624 4.640 -0.000 0.000 0.204 376 D C 2.040 178.456 176.300 0.193 0.000 0.982 376 D CA 1.393 55.515 54.000 0.204 0.000 0.857 376 D CB -0.295 40.630 40.800 0.207 0.000 0.934 376 D HN 0.416 nan 8.370 nan 0.000 0.475 377 D N 0.138 120.634 120.400 0.160 0.000 2.144 377 D HA -0.088 4.552 4.640 -0.000 0.000 0.199 377 D C 1.971 178.458 176.300 0.312 0.000 0.984 377 D CA 1.099 55.199 54.000 0.167 0.000 0.834 377 D CB -0.089 40.786 40.800 0.126 0.000 0.955 377 D HN 0.170 nan 8.370 nan 0.000 0.465 378 A N 1.086 124.079 122.820 0.288 0.000 1.898 378 A HA -0.123 4.197 4.320 -0.000 0.000 0.214 378 A C 1.911 179.723 177.584 0.379 0.000 1.183 378 A CA 0.870 53.124 52.037 0.362 0.000 0.622 378 A CB -0.341 18.811 19.000 0.254 0.000 0.824 378 A HN 0.089 nan 8.150 nan 0.000 0.444 379 N N -0.704 118.160 118.700 0.274 0.000 2.348 379 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 379 N C 1.261 176.883 175.510 0.187 0.000 1.019 379 N CA 1.127 54.304 53.050 0.212 0.000 0.880 379 N CB -0.593 38.000 38.487 0.177 0.000 0.965 379 N HN 0.554 nan 8.380 nan 0.000 0.437 380 F N 0.813 120.789 119.950 0.044 0.000 2.126 380 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 380 F C 1.494 177.169 175.800 -0.207 0.000 1.096 380 F CA 1.392 59.304 58.000 -0.147 0.000 1.255 380 F CB -0.307 38.486 39.000 -0.345 0.000 0.997 380 F HN -0.100 nan 8.300 nan 0.000 0.479 381 F N -0.181 119.831 119.950 0.103 0.000 2.743 381 F HA 0.036 4.563 4.527 -0.000 0.000 0.297 381 F C 2.359 178.140 175.800 -0.031 0.000 1.131 381 F CA 0.541 58.542 58.000 0.001 0.000 1.426 381 F CB -0.967 38.079 39.000 0.076 0.000 1.116 381 F HN -0.003 nan 8.300 nan 0.000 0.583 382 Q N 0.890 120.785 119.800 0.158 0.000 2.096 382 Q HA -0.261 4.079 4.340 -0.000 0.000 0.208 382 Q C 2.211 178.237 176.000 0.045 0.000 0.993 382 Q CA 2.175 58.037 55.803 0.098 0.000 0.862 382 Q CB -0.233 28.555 28.738 0.083 0.000 0.915 382 Q HN 0.415 nan 8.270 nan 0.000 0.416 383 A N -0.529 122.287 122.820 -0.008 0.000 2.251 383 A HA 0.189 4.509 4.320 -0.000 0.000 0.209 383 A C 0.410 177.982 177.584 -0.020 0.000 1.187 383 A CA -0.096 51.929 52.037 -0.021 0.000 0.823 383 A CB 0.054 19.025 19.000 -0.049 0.000 0.846 383 A HN 0.263 nan 8.150 nan 0.000 0.486 384 L N 1.536 122.750 121.223 -0.014 0.000 2.350 384 L HA 0.297 4.637 4.340 -0.000 0.000 0.275 384 L C -0.052 176.854 176.870 0.059 0.000 1.099 384 L CA -1.020 53.824 54.840 0.006 0.000 0.808 384 L CB 0.866 42.922 42.059 -0.006 0.000 1.149 384 L HN 0.375 nan 8.230 nan 0.000 0.442 385 D N 0.839 121.280 120.400 0.067 0.000 2.371 385 D HA -0.067 4.572 4.640 -0.000 0.000 0.242 385 D C 0.936 177.328 176.300 0.155 0.000 1.218 385 D CA -0.265 53.802 54.000 0.112 0.000 0.945 385 D CB 0.551 41.416 40.800 0.108 0.000 1.137 385 D HN 0.412 nan 8.370 nan 0.000 0.464 386 F N 0.387 120.363 119.950 0.044 0.000 2.045 386 F HA -0.262 4.265 4.527 -0.000 0.000 0.297 386 F C 2.155 177.999 175.800 0.072 0.000 1.114 386 F CA 2.129 60.158 58.000 0.048 0.000 1.207 386 F CB -0.068 38.958 39.000 0.042 0.000 0.964 386 F HN 0.275 nan 8.300 nan 0.000 0.486 387 K N -0.361 120.231 120.400 0.320 0.000 2.097 387 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 387 K C 1.725 178.403 176.600 0.131 0.000 1.049 387 K CA 1.593 58.017 56.287 0.228 0.000 0.933 387 K CB -0.351 32.279 32.500 0.217 0.000 0.717 387 K HN 0.300 nan 8.250 nan 0.000 0.442 388 D N 0.544 121.010 120.400 0.110 0.000 2.144 388 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 388 D C 1.947 178.314 176.300 0.112 0.000 0.978 388 D CA 0.839 54.896 54.000 0.094 0.000 0.833 388 D CB -0.343 40.497 40.800 0.066 0.000 0.961 388 D HN 0.198 nan 8.370 nan 0.000 0.470 389 C N 1.037 120.392 119.300 0.093 0.000 2.446 389 C HA -0.006 4.454 4.460 -0.000 0.000 0.277 389 C C 2.918 177.925 174.990 0.028 0.000 1.275 389 C CA 0.769 59.878 59.018 0.151 0.000 1.727 389 C CB -0.935 26.808 27.740 0.006 0.000 2.010 389 C HN 0.363 nan 8.230 nan 0.000 0.486 390 A N 0.387 123.143 122.820 -0.108 0.000 1.933 390 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 390 A C 1.808 179.420 177.584 0.046 0.000 1.175 390 A CA 2.306 54.248 52.037 -0.158 0.000 0.628 390 A CB -0.735 18.198 19.000 -0.113 0.000 0.814 390 A HN 0.599 nan 8.150 nan 0.000 0.444 391 D N -0.128 120.383 120.400 0.185 0.000 2.123 391 D HA -0.138 4.502 4.640 -0.000 0.000 0.196 391 D C 1.698 178.117 176.300 0.198 0.000 0.992 391 D CA 1.444 55.596 54.000 0.253 0.000 0.833 391 D CB -0.216 40.685 40.800 0.167 0.000 0.954 391 D HN 0.503 nan 8.370 nan 0.000 0.455 392 I N -0.418 120.255 120.570 0.171 0.000 2.179 392 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 392 I C 2.351 178.545 176.117 0.129 0.000 1.088 392 I CA 0.598 62.006 61.300 0.181 0.000 1.357 392 I CB -0.191 37.993 38.000 0.308 0.000 1.051 392 I HN -0.002 nan 8.210 nan 0.000 0.409 393 V N 0.431 120.379 119.914 0.055 0.000 2.343 393 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 393 V C 2.280 178.335 176.094 -0.065 0.000 1.051 393 V CA 1.835 64.092 62.300 -0.072 0.000 1.036 393 V CB -0.706 30.963 31.823 -0.257 0.000 0.654 393 V HN 0.215 nan 8.190 nan 0.000 0.451 394 F N 1.002 120.958 119.950 0.010 0.000 2.134 394 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 394 F C 2.398 178.180 175.800 -0.030 0.000 1.097 394 F CA 1.442 59.436 58.000 -0.009 0.000 1.264 394 F CB -0.837 38.155 39.000 -0.013 0.000 1.001 394 F HN 0.202 nan 8.300 nan 0.000 0.479 395 N N 0.369 119.171 118.700 0.170 0.000 2.120 395 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 395 N C 1.462 176.966 175.510 -0.009 0.000 1.024 395 N CA 1.598 54.685 53.050 0.062 0.000 0.852 395 N CB -0.591 37.928 38.487 0.053 0.000 1.003 395 N HN 0.238 nan 8.380 nan 0.000 0.424 396 D N 0.845 121.240 120.400 -0.008 0.000 2.117 396 D HA -0.051 4.589 4.640 -0.000 0.000 0.198 396 D C 2.205 178.446 176.300 -0.098 0.000 0.982 396 D CA 0.437 54.391 54.000 -0.078 0.000 0.828 396 D CB -0.380 40.398 40.800 -0.037 0.000 0.967 396 D HN 0.216 nan 8.370 nan 0.000 0.464 397 L N 0.449 121.679 121.223 0.012 0.000 2.083 397 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 397 L C 2.534 179.436 176.870 0.053 0.000 1.083 397 L CA 0.911 55.828 54.840 0.129 0.000 0.752 397 L CB -0.441 41.746 42.059 0.213 0.000 0.899 397 L HN 0.017 nan 8.230 nan 0.000 0.433 398 S N 0.144 115.831 115.700 -0.023 0.000 2.370 398 S HA -0.173 4.296 4.470 -0.000 0.000 0.226 398 S C 1.959 176.455 174.600 -0.174 0.000 1.033 398 S CA 1.356 59.505 58.200 -0.085 0.000 1.011 398 S CB -0.137 63.019 63.200 -0.074 0.000 0.852 398 S HN 0.310 nan 8.310 nan 0.000 0.457 399 L N 0.471 121.520 121.223 -0.290 0.000 2.095 399 L HA 0.046 4.386 4.340 -0.000 0.000 0.204 399 L C 2.384 178.825 176.870 -0.716 0.000 1.080 399 L CA 0.995 55.511 54.840 -0.539 0.000 0.759 399 L CB -0.456 41.116 42.059 -0.811 0.000 0.914 399 L HN 0.331 nan 8.230 nan 0.000 0.439 400 I N -0.836 119.353 120.570 -0.635 0.000 2.226 400 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 400 I C 2.054 177.696 176.117 -0.793 0.000 1.100 400 I CA 1.234 62.174 61.300 -0.601 0.000 1.374 400 I CB -0.295 37.503 38.000 -0.336 0.000 1.057 400 I HN 0.343 nan 8.210 nan 0.000 0.413 401 H N 0.669 119.544 119.070 -0.326 0.000 2.586 401 H HA 0.185 4.741 4.556 -0.000 0.000 0.273 401 H C 0.112 175.293 175.328 -0.245 0.000 0.997 401 H CA 0.023 55.921 56.048 -0.249 0.000 1.177 401 H CB 0.340 30.183 29.762 0.135 0.000 1.471 401 H HN 0.361 nan 8.280 nan 0.000 0.538 402 Q N 0.785 120.454 119.800 -0.218 0.000 2.443 402 Q HA -0.180 4.160 4.340 -0.000 0.000 0.337 402 Q C -0.865 175.092 176.000 -0.072 0.000 1.401 402 Q CA 0.441 56.150 55.803 -0.157 0.000 0.943 402 Q CB -1.237 27.398 28.738 -0.172 0.000 1.177 402 Q HN 0.440 nan 8.270 nan 0.000 0.394 403 L N -0.180 121.001 121.223 -0.071 0.000 2.388 403 L HA 0.574 4.914 4.340 -0.000 0.000 0.264 403 L C -2.240 174.565 176.870 -0.107 0.000 0.998 403 L CA -2.384 52.414 54.840 -0.070 0.000 0.817 403 L CB 1.950 43.954 42.059 -0.092 0.000 1.338 403 L HN -0.073 nan 8.230 nan 0.000 0.414 404 P HA 0.016 nan 4.420 nan 0.000 0.264 404 P C 0.154 177.350 177.300 -0.174 0.000 1.193 404 P CA -0.038 62.986 63.100 -0.127 0.000 0.763 404 P CB 0.733 32.360 31.700 -0.122 0.000 0.810 405 K N 4.072 124.383 120.400 -0.149 0.000 2.044 405 K HA -0.233 4.087 4.320 -0.000 0.000 0.210 405 K C 1.359 177.801 176.600 -0.264 0.000 1.049 405 K CA 1.707 57.896 56.287 -0.164 0.000 0.927 405 K CB -0.072 32.356 32.500 -0.119 0.000 0.713 405 K HN 0.278 nan 8.250 nan 0.000 0.443 406 K N 0.304 120.556 120.400 -0.247 0.000 2.152 406 K HA -0.167 4.152 4.320 -0.000 0.000 0.206 406 K C 1.696 178.070 176.600 -0.376 0.000 1.048 406 K CA 1.720 57.837 56.287 -0.283 0.000 0.933 406 K CB -0.120 32.258 32.500 -0.205 0.000 0.721 406 K HN 0.264 nan 8.250 nan 0.000 0.447 407 D N 0.978 121.120 120.400 -0.429 0.000 2.097 407 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 407 D C 1.872 177.532 176.300 -1.067 0.000 0.984 407 D CA 0.958 54.505 54.000 -0.754 0.000 0.826 407 D CB -0.190 40.240 40.800 -0.617 0.000 0.973 407 D HN 0.162 nan 8.370 nan 0.000 0.460 408 I N 0.620 120.824 120.570 -0.611 0.000 2.286 408 I HA -0.253 3.916 4.170 -0.000 0.000 0.248 408 I C 2.089 178.122 176.117 -0.141 0.000 1.115 408 I CA 1.043 62.157 61.300 -0.310 0.000 1.392 408 I CB -0.309 37.618 38.000 -0.121 0.000 1.065 408 I HN -0.011 nan 8.210 nan 0.000 0.418 409 Q N -0.335 119.210 119.800 -0.425 0.000 2.437 409 Q HA -0.131 4.209 4.340 -0.000 0.000 0.210 409 Q C 2.234 178.104 176.000 -0.216 0.000 0.972 409 Q CA 1.165 56.639 55.803 -0.548 0.000 0.903 409 Q CB 0.045 28.337 28.738 -0.742 0.000 0.967 409 Q HN 0.383 nan 8.270 nan 0.000 0.486 410 S N -0.856 114.692 115.700 -0.254 0.000 2.468 410 S HA 0.019 4.489 4.470 -0.000 0.000 0.226 410 S C 1.298 175.950 174.600 0.087 0.000 1.051 410 S CA 0.026 58.145 58.200 -0.135 0.000 0.943 410 S CB 0.113 63.160 63.200 -0.254 0.000 0.810 410 S HN 0.266 nan 8.310 nan 0.000 0.509 411 F N 2.154 122.160 119.950 0.093 0.000 2.259 411 F HA 0.258 4.785 4.527 -0.000 0.000 0.298 411 F C 1.330 177.270 175.800 0.233 0.000 1.088 411 F CA -0.807 57.287 58.000 0.157 0.000 1.358 411 F CB -1.002 38.122 39.000 0.207 0.000 1.040 411 F HN 0.245 nan 8.300 nan 0.000 0.505 412 c N -1.868 117.010 118.600 0.465 0.000 3.154 412 c HA 0.720 5.289 4.570 -0.000 0.000 0.312 412 c C -0.811 173.578 174.090 0.497 0.000 1.349 412 c CA -1.266 55.319 56.329 0.427 0.000 1.518 412 c CB 1.352 44.122 42.510 0.432 0.000 1.934 412 c HN 0.363 nan 8.230 nan 0.000 0.462 413 Y N -1.798 118.677 120.300 0.291 0.000 2.544 413 Y HA 0.700 5.250 4.550 -0.000 0.000 0.342 413 Y C -3.337 172.698 175.900 0.224 0.000 1.062 413 Y CA -2.969 55.322 58.100 0.319 0.000 1.023 413 Y CB 0.568 39.162 38.460 0.223 0.000 1.308 413 Y HN 0.396 nan 8.280 nan 0.000 0.457 414 P HA 0.147 nan 4.420 nan 0.000 0.274 414 P C 0.295 177.758 177.300 0.271 0.000 1.291 414 P CA 0.236 63.380 63.100 0.073 0.000 0.815 414 P CB 1.204 32.951 31.700 0.078 0.000 0.897 415 S N 2.323 117.993 115.700 -0.050 0.000 2.441 415 S HA 0.153 4.623 4.470 -0.000 0.000 0.224 415 S C 0.610 175.332 174.600 0.205 0.000 1.043 415 S CA 0.366 58.630 58.200 0.108 0.000 0.948 415 S CB -0.063 63.045 63.200 -0.154 0.000 0.810 415 S HN 0.209 nan 8.310 nan 0.000 0.504 416 V N 1.129 121.119 119.914 0.127 0.000 3.012 416 V HA 0.553 4.673 4.120 -0.000 0.000 0.307 416 V C -1.288 174.908 176.094 0.169 0.000 1.166 416 V CA -0.841 61.474 62.300 0.026 0.000 0.974 416 V CB 1.985 33.528 31.823 -0.467 0.000 1.040 416 V HN 0.384 nan 8.190 nan 0.000 0.428 417 I N 2.769 123.434 120.570 0.158 0.000 2.500 417 I HA 0.452 4.622 4.170 -0.000 0.000 0.286 417 I C -1.103 175.016 176.117 0.004 0.000 1.063 417 I CA -0.512 60.815 61.300 0.045 0.000 1.062 417 I CB 2.174 40.103 38.000 -0.119 0.000 1.223 417 I HN 0.631 nan 8.210 nan 0.000 0.435 418 Q N 6.576 126.367 119.800 -0.014 0.000 2.394 418 Q HA 0.361 4.701 4.340 -0.000 0.000 0.259 418 Q C -1.300 174.547 176.000 -0.254 0.000 1.021 418 Q CA -0.391 55.279 55.803 -0.223 0.000 0.805 418 Q CB 1.172 29.738 28.738 -0.286 0.000 1.226 418 Q HN 0.385 nan 8.270 nan 0.000 0.476 419 K N 3.770 124.028 120.400 -0.237 0.000 2.300 419 K HA 0.147 4.467 4.320 -0.000 0.000 0.264 419 K C -0.163 176.361 176.600 -0.127 0.000 1.083 419 K CA -0.233 55.998 56.287 -0.094 0.000 0.958 419 K CB 0.523 33.014 32.500 -0.015 0.000 1.318 419 K HN 0.712 nan 8.250 nan 0.000 0.448 420 W N 1.005 122.346 121.300 0.068 0.000 2.392 420 W HA -0.174 4.486 4.660 -0.000 0.000 0.279 420 W C 1.850 178.392 176.519 0.037 0.000 1.225 420 W CA 0.788 58.166 57.345 0.056 0.000 1.233 420 W CB 0.121 29.621 29.460 0.066 0.000 1.122 420 W HN 0.471 nan 8.180 nan 0.000 0.561 421 S N 0.235 116.071 115.700 0.226 0.000 2.469 421 S HA -0.063 4.407 4.470 -0.000 0.000 0.238 421 S C 1.445 176.088 174.600 0.072 0.000 0.998 421 S CA 0.721 59.003 58.200 0.136 0.000 0.957 421 S CB -0.271 63.001 63.200 0.120 0.000 0.764 421 S HN 0.220 nan 8.310 nan 0.000 0.514 422 L N 0.889 122.139 121.223 0.046 0.000 2.667 422 L HA 0.263 4.603 4.340 -0.000 0.000 0.232 422 L C 0.161 177.013 176.870 -0.029 0.000 1.138 422 L CA -0.156 54.683 54.840 -0.001 0.000 0.921 422 L CB -0.191 41.859 42.059 -0.014 0.000 1.180 422 L HN 0.108 nan 8.230 nan 0.000 0.487 423 D N 1.383 121.791 120.400 0.013 0.000 2.371 423 D HA -0.025 4.615 4.640 -0.000 0.000 0.256 423 D C 1.511 177.794 176.300 -0.028 0.000 1.193 423 D CA -0.048 53.960 54.000 0.013 0.000 0.881 423 D CB 0.976 41.901 40.800 0.209 0.000 1.143 423 D HN 0.172 nan 8.370 nan 0.000 0.473 424 K N 2.521 122.826 120.400 -0.157 0.000 2.360 424 K HA -0.220 4.100 4.320 -0.000 0.000 0.201 424 K C 0.483 176.874 176.600 -0.349 0.000 1.046 424 K CA 1.286 57.394 56.287 -0.298 0.000 0.945 424 K CB -0.113 32.111 32.500 -0.460 0.000 0.750 424 K HN 0.486 nan 8.250 nan 0.000 0.464 425 Y N 0.446 120.777 120.300 0.052 0.000 2.464 425 Y HA 0.316 4.866 4.550 -0.000 0.000 0.288 425 Y C 2.673 178.598 175.900 0.042 0.000 1.133 425 Y CA 0.215 58.346 58.100 0.051 0.000 1.223 425 Y CB -0.278 38.223 38.460 0.069 0.000 1.187 425 Y HN 0.119 nan 8.280 nan 0.000 0.539 426 A N 0.028 122.976 122.820 0.213 0.000 1.929 426 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 426 A C 1.513 179.074 177.584 -0.038 0.000 1.176 426 A CA 1.635 53.740 52.037 0.113 0.000 0.628 426 A CB -0.658 18.459 19.000 0.194 0.000 0.816 426 A HN 0.485 nan 8.150 nan 0.000 0.444 427 M N -2.888 116.701 119.600 -0.019 0.000 2.856 427 M HA -0.204 4.276 4.480 -0.000 0.000 0.189 427 M C 0.404 176.598 176.300 -0.177 0.000 0.612 427 M CA 0.729 55.973 55.300 -0.093 0.000 0.673 427 M CB -2.145 30.382 32.600 -0.121 0.000 2.440 427 M HN 0.919 nan 8.290 nan 0.000 0.437 428 G N -1.790 106.932 108.800 -0.129 0.000 2.387 428 G HA2 0.525 4.485 3.960 -0.000 0.000 0.294 428 G HA3 0.525 4.485 3.960 -0.000 0.000 0.294 428 G C -0.005 174.952 174.900 0.095 0.000 1.509 428 G CA -0.317 44.709 45.100 -0.123 0.000 0.806 428 G HN 0.284 nan 8.290 nan 0.000 0.546 429 G N -0.845 108.080 108.800 0.208 0.000 2.648 429 G HA2 0.432 4.392 3.960 -0.000 0.000 0.217 429 G HA3 0.432 4.392 3.960 -0.000 0.000 0.217 429 G C 0.355 175.338 174.900 0.137 0.000 1.386 429 G CA 0.328 45.552 45.100 0.205 0.000 0.920 429 G HN 0.705 nan 8.290 nan 0.000 0.540 430 I N 0.689 121.331 120.570 0.120 0.000 2.509 430 I HA 0.243 4.412 4.170 -0.000 0.000 0.293 430 I C -0.436 175.571 176.117 -0.182 0.000 1.020 430 I CA -0.634 60.657 61.300 -0.015 0.000 1.088 430 I CB 2.422 40.364 38.000 -0.096 0.000 1.267 430 I HN 0.010 nan 8.210 nan 0.000 0.430 431 T N 4.031 118.310 114.554 -0.457 0.000 2.831 431 T HA 0.093 4.443 4.350 -0.000 0.000 0.291 431 T C 0.003 174.370 174.700 -0.555 0.000 0.981 431 T CA 0.436 61.981 62.100 -0.925 0.000 1.174 431 T CB -0.150 68.152 68.868 -0.944 0.000 0.929 431 T HN 0.567 nan 8.240 nan 0.000 0.532 432 T N 5.059 119.407 114.554 -0.344 0.000 3.008 432 T HA 0.327 4.677 4.350 -0.000 0.000 0.328 432 T C -0.403 174.451 174.700 0.257 0.000 1.020 432 T CA -0.659 61.432 62.100 -0.015 0.000 1.043 432 T CB 0.093 69.010 68.868 0.082 0.000 1.010 432 T HN 0.278 nan 8.240 nan 0.000 0.466 433 F N 3.702 123.629 119.950 -0.038 0.000 2.538 433 F HA 0.296 4.823 4.527 -0.000 0.000 0.371 433 F C 1.740 177.613 175.800 0.123 0.000 1.087 433 F CA -0.981 56.993 58.000 -0.043 0.000 1.250 433 F CB 0.148 38.895 39.000 -0.421 0.000 1.110 433 F HN 0.465 nan 8.300 nan 0.000 0.570 434 T N 1.468 116.198 114.554 0.294 0.000 2.881 434 T HA 0.445 4.795 4.350 -0.000 0.000 0.278 434 T C -2.730 172.125 174.700 0.257 0.000 0.982 434 T CA -2.455 59.789 62.100 0.242 0.000 0.989 434 T CB 1.170 70.124 68.868 0.143 0.000 1.058 434 T HN 0.146 nan 8.240 nan 0.000 0.529 435 P HA 0.018 nan 4.420 nan 0.000 0.263 435 P C -0.326 177.150 177.300 0.293 0.000 1.168 435 P CA 0.599 63.843 63.100 0.239 0.000 0.759 435 P CB -0.263 31.581 31.700 0.241 0.000 0.782 436 Y N -0.405 119.956 120.300 0.101 0.000 4.779 436 Y HA -0.330 4.220 4.550 -0.000 0.000 0.284 436 Y C 1.889 177.744 175.900 -0.075 0.000 0.973 436 Y CA 1.402 59.500 58.100 -0.004 0.000 1.792 436 Y CB -2.163 36.220 38.460 -0.128 0.000 1.120 436 Y HN 0.459 nan 8.280 nan 0.000 0.450 437 Q N -0.651 119.178 119.800 0.049 0.000 2.167 437 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 437 Q C 1.588 177.453 176.000 -0.225 0.000 0.970 437 Q CA 1.691 57.355 55.803 -0.233 0.000 0.855 437 Q CB -0.285 28.201 28.738 -0.419 0.000 0.911 437 Q HN 0.575 nan 8.270 nan 0.000 0.438 438 F N 1.854 121.912 119.950 0.181 0.000 2.113 438 F HA -0.216 4.311 4.527 -0.000 0.000 0.297 438 F C 2.707 178.613 175.800 0.177 0.000 1.103 438 F CA 1.774 59.990 58.000 0.361 0.000 1.248 438 F CB -0.362 38.860 39.000 0.370 0.000 0.999 438 F HN 0.158 nan 8.300 nan 0.000 0.475 439 Q N -1.241 118.738 119.800 0.298 0.000 2.245 439 Q HA -0.202 4.138 4.340 -0.000 0.000 0.201 439 Q C 1.654 177.728 176.000 0.124 0.000 0.955 439 Q CA 1.776 57.688 55.803 0.182 0.000 0.870 439 Q CB -0.666 28.150 28.738 0.129 0.000 0.945 439 Q HN 0.465 nan 8.270 nan 0.000 0.461 440 H N -0.666 118.326 119.070 -0.131 0.000 2.486 440 H HA 0.118 4.674 4.556 -0.000 0.000 0.287 440 H C 0.506 175.633 175.328 -0.336 0.000 1.010 440 H CA 0.880 56.717 56.048 -0.351 0.000 1.324 440 H CB 0.320 29.659 29.762 -0.705 0.000 1.446 440 H HN 0.235 nan 8.280 nan 0.000 0.537 441 F N -1.100 118.771 119.950 -0.131 0.000 2.727 441 F HA 0.251 4.778 4.527 -0.000 0.000 0.302 441 F C 2.386 178.136 175.800 -0.083 0.000 1.107 441 F CA 0.198 58.058 58.000 -0.233 0.000 1.277 441 F CB -0.256 38.520 39.000 -0.373 0.000 1.079 441 F HN -0.005 nan 8.300 nan 0.000 0.594 442 S N 0.573 116.403 115.700 0.216 0.000 2.359 442 S HA -0.220 4.250 4.470 -0.000 0.000 0.222 442 S C 1.626 176.337 174.600 0.184 0.000 1.038 442 S CA 2.050 60.420 58.200 0.284 0.000 1.051 442 S CB -0.311 63.099 63.200 0.351 0.000 0.944 442 S HN 0.317 nan 8.310 nan 0.000 0.433 443 D N 0.960 121.439 120.400 0.131 0.000 2.097 443 D HA -0.024 4.616 4.640 -0.000 0.000 0.195 443 D C -0.641 175.690 176.300 0.052 0.000 0.989 443 D CA 1.104 55.157 54.000 0.088 0.000 0.827 443 D CB -1.789 39.052 40.800 0.068 0.000 0.966 443 D HN 0.319 nan 8.370 nan 0.000 0.456 444 P HA -0.057 nan 4.420 nan 0.000 0.218 444 P C 1.641 178.908 177.300 -0.055 0.000 1.148 444 P CA 0.758 63.847 63.100 -0.019 0.000 0.822 444 P CB 0.036 31.725 31.700 -0.018 0.000 0.784 445 L N -1.215 120.015 121.223 0.012 0.000 2.131 445 L HA -0.085 4.255 4.340 -0.000 0.000 0.206 445 L C 2.376 179.250 176.870 0.007 0.000 1.087 445 L CA 2.002 56.867 54.840 0.041 0.000 0.767 445 L CB -1.432 40.751 42.059 0.207 0.000 0.917 445 L HN 0.112 nan 8.230 nan 0.000 0.441 446 T N -2.443 112.138 114.554 0.045 0.000 3.067 446 T HA 0.200 4.550 4.350 -0.000 0.000 0.261 446 T C 0.981 175.729 174.700 0.079 0.000 1.110 446 T CA 0.255 62.392 62.100 0.061 0.000 1.113 446 T CB -0.232 68.685 68.868 0.081 0.000 0.917 446 T HN 0.185 nan 8.240 nan 0.000 0.499 447 A N 2.401 125.241 122.820 0.035 0.000 2.498 447 A HA 0.514 4.834 4.320 -0.000 0.000 0.239 447 A C 0.845 178.463 177.584 0.057 0.000 1.068 447 A CA -0.212 51.841 52.037 0.027 0.000 0.766 447 A CB -0.032 18.962 19.000 -0.010 0.000 1.003 447 A HN 0.719 nan 8.150 nan 0.000 0.497 448 S N 1.432 117.125 115.700 -0.010 0.000 2.672 448 S HA 0.580 5.050 4.470 -0.000 0.000 0.276 448 S C -0.323 174.224 174.600 -0.089 0.000 1.207 448 S CA -0.583 57.532 58.200 -0.141 0.000 1.002 448 S CB 1.292 64.042 63.200 -0.749 0.000 0.998 448 S HN 0.799 nan 8.310 nan 0.000 0.542 449 Q N 0.480 120.244 119.800 -0.060 0.000 2.414 449 Q HA 0.496 4.835 4.340 -0.000 0.000 0.256 449 Q C 0.554 176.539 176.000 -0.026 0.000 0.974 449 Q CA 0.173 55.969 55.803 -0.012 0.000 0.723 449 Q CB 0.448 29.219 28.738 0.054 0.000 1.281 449 Q HN 1.319 nan 8.270 nan 0.000 0.470 450 G N 3.294 112.075 108.800 -0.032 0.000 2.565 450 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.295 450 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.295 450 G C 0.252 175.173 174.900 0.034 0.000 1.165 450 G CA 0.320 45.427 45.100 0.012 0.000 0.977 450 G HN 0.671 nan 8.290 nan 0.000 0.546 451 R N 0.141 120.696 120.500 0.093 0.000 2.388 451 R HA 0.406 4.746 4.340 -0.000 0.000 0.247 451 R C 0.364 176.842 176.300 0.296 0.000 0.931 451 R CA -0.014 56.239 56.100 0.255 0.000 1.082 451 R CB 0.083 30.402 30.300 0.032 0.000 1.135 451 R HN 0.415 nan 8.270 nan 0.000 0.525 452 I N 1.199 121.820 120.570 0.085 0.000 2.330 452 I HA 0.248 4.418 4.170 -0.000 0.000 0.289 452 I C -0.662 175.348 176.117 -0.179 0.000 1.001 452 I CA -0.796 60.516 61.300 0.020 0.000 1.193 452 I CB 0.744 38.763 38.000 0.031 0.000 1.345 452 I HN -0.080 nan 8.210 nan 0.000 0.461 453 Y N 5.529 125.709 120.300 -0.200 0.000 2.567 453 Y HA 0.628 5.177 4.550 -0.000 0.000 0.333 453 Y C -0.452 175.192 175.900 -0.426 0.000 1.106 453 Y CA -0.851 57.169 58.100 -0.133 0.000 1.157 453 Y CB 1.510 39.943 38.460 -0.045 0.000 1.277 453 Y HN 0.264 nan 8.280 nan 0.000 0.490 454 F N 0.394 120.445 119.950 0.167 0.000 2.565 454 F HA 0.819 5.346 4.527 -0.000 0.000 0.313 454 F C -0.063 175.749 175.800 0.019 0.000 1.091 454 F CA -0.865 57.195 58.000 0.100 0.000 0.915 454 F CB 1.919 40.971 39.000 0.086 0.000 1.208 454 F HN 0.531 nan 8.300 nan 0.000 0.453 455 A N 1.102 124.003 122.820 0.134 0.000 2.583 455 A HA 0.994 5.314 4.320 -0.000 0.000 0.289 455 A C -0.419 177.126 177.584 -0.066 0.000 1.151 455 A CA -0.363 51.672 52.037 -0.005 0.000 0.695 455 A CB 1.678 20.679 19.000 0.002 0.000 1.290 455 A HN 1.758 nan 8.150 nan 0.000 0.419 456 G N -0.873 107.865 108.800 -0.104 0.000 2.362 456 G HA2 0.276 4.236 3.960 -0.000 0.000 0.656 456 G HA3 0.276 4.236 3.960 -0.000 0.000 0.656 456 G C 0.299 175.144 174.900 -0.093 0.000 1.376 456 G CA 0.391 45.461 45.100 -0.050 0.000 0.971 456 G HN 1.169 nan 8.290 nan 0.000 0.636 457 E N -0.661 119.563 120.200 0.039 0.000 2.086 457 E HA -0.307 4.043 4.350 -0.000 0.000 0.200 457 E C 2.101 178.752 176.600 0.084 0.000 1.012 457 E CA 2.659 59.099 56.400 0.068 0.000 0.812 457 E CB -0.309 29.439 29.700 0.080 0.000 0.743 457 E HN 0.869 nan 8.360 nan 0.000 0.453 458 Y N 0.270 120.597 120.300 0.044 0.000 2.483 458 Y HA -0.065 4.485 4.550 -0.000 0.000 0.291 458 Y C 2.156 178.150 175.900 0.157 0.000 1.143 458 Y CA 1.399 59.503 58.100 0.008 0.000 1.289 458 Y CB -0.869 37.626 38.460 0.058 0.000 0.983 458 Y HN 0.060 nan 8.280 nan 0.000 0.556 459 T N -2.126 112.187 114.554 -0.402 0.000 3.060 459 T HA 0.532 4.882 4.350 -0.000 0.000 0.249 459 T C 0.918 175.601 174.700 -0.029 0.000 1.079 459 T CA 0.025 61.987 62.100 -0.230 0.000 1.013 459 T CB -0.519 68.135 68.868 -0.358 0.000 0.975 459 T HN 0.480 nan 8.240 nan 0.000 0.518 460 A N 1.291 124.114 122.820 0.005 0.000 2.366 460 A HA 0.393 4.713 4.320 -0.000 0.000 0.249 460 A C 1.359 178.956 177.584 0.022 0.000 1.084 460 A CA -0.451 51.595 52.037 0.016 0.000 0.794 460 A CB 0.311 19.326 19.000 0.025 0.000 1.034 460 A HN 0.442 nan 8.150 nan 0.000 0.491 461 Q N -0.429 119.371 119.800 0.001 0.000 2.230 461 Q HA 0.083 4.423 4.340 -0.000 0.000 0.202 461 Q C 0.511 176.453 176.000 -0.096 0.000 0.963 461 Q CA 1.177 56.981 55.803 0.002 0.000 0.866 461 Q CB -0.000 28.753 28.738 0.025 0.000 0.931 461 Q HN 0.785 nan 8.270 nan 0.000 0.452 462 A N 0.503 123.255 122.820 -0.114 0.000 2.386 462 A HA 0.529 4.849 4.320 -0.000 0.000 0.311 462 A C -1.287 176.254 177.584 -0.072 0.000 1.068 462 A CA -0.815 51.149 52.037 -0.122 0.000 0.743 462 A CB 0.839 19.863 19.000 0.041 0.000 1.258 462 A HN 0.134 nan 8.150 nan 0.000 0.429 463 H N 0.244 119.359 119.070 0.076 0.000 2.479 463 H HA 0.562 5.118 4.556 -0.000 0.000 0.335 463 H C 1.109 176.388 175.328 -0.083 0.000 1.142 463 H CA 0.176 56.196 56.048 -0.046 0.000 1.234 463 H CB 1.561 31.207 29.762 -0.193 0.000 1.503 463 H HN 1.557 nan 8.280 nan 0.000 0.510 464 G N 1.274 110.021 108.800 -0.087 0.000 2.137 464 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.237 464 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.237 464 G C -0.760 173.639 174.900 -0.836 0.000 1.002 464 G CA -0.219 44.616 45.100 -0.442 0.000 0.702 464 G HN 0.574 nan 8.290 nan 0.000 0.515 465 W N -1.221 120.108 121.300 0.049 0.000 3.097 465 W HA 0.656 5.316 4.660 -0.000 0.000 0.335 465 W C 1.179 177.694 176.519 -0.007 0.000 1.114 465 W CA -1.199 56.177 57.345 0.052 0.000 1.231 465 W CB 0.738 30.248 29.460 0.083 0.000 1.388 465 W HN -0.062 nan 8.180 nan 0.000 0.485 466 I N 0.957 121.669 120.570 0.236 0.000 2.208 466 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 466 I C 2.013 178.186 176.117 0.093 0.000 1.097 466 I CA 1.865 63.239 61.300 0.122 0.000 1.363 466 I CB -0.207 37.863 38.000 0.117 0.000 1.051 466 I HN 0.582 nan 8.210 nan 0.000 0.413 467 D N 0.218 120.668 120.400 0.083 0.000 2.106 467 D HA -0.239 4.401 4.640 -0.000 0.000 0.191 467 D C 2.306 178.581 176.300 -0.041 0.000 0.997 467 D CA 1.821 55.799 54.000 -0.037 0.000 0.834 467 D CB 0.023 40.613 40.800 -0.350 0.000 0.956 467 D HN 0.099 nan 8.370 nan 0.000 0.448 468 S N -1.719 113.945 115.700 -0.060 0.000 2.402 468 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 468 S C 1.937 176.530 174.600 -0.011 0.000 1.021 468 S CA 1.666 59.853 58.200 -0.022 0.000 0.974 468 S CB -0.487 62.720 63.200 0.011 0.000 0.800 468 S HN 0.324 nan 8.310 nan 0.000 0.484 469 T N 2.384 116.947 114.554 0.015 0.000 2.708 469 T HA 0.035 4.384 4.350 -0.000 0.000 0.266 469 T C 1.686 176.366 174.700 -0.033 0.000 1.037 469 T CA 1.426 63.525 62.100 -0.003 0.000 1.146 469 T CB -0.332 68.544 68.868 0.013 0.000 0.865 469 T HN 0.378 nan 8.240 nan 0.000 0.435 470 I N 0.774 121.330 120.570 -0.023 0.000 2.163 470 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 470 I C 2.675 178.748 176.117 -0.073 0.000 1.085 470 I CA 1.362 62.641 61.300 -0.036 0.000 1.347 470 I CB -0.325 37.680 38.000 0.008 0.000 1.044 470 I HN 0.191 nan 8.210 nan 0.000 0.408 471 K N 0.831 121.167 120.400 -0.106 0.000 2.103 471 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 471 K C 2.330 178.708 176.600 -0.370 0.000 1.048 471 K CA 1.854 57.974 56.287 -0.279 0.000 0.930 471 K CB -0.050 32.300 32.500 -0.251 0.000 0.716 471 K HN 0.409 nan 8.250 nan 0.000 0.444 472 S N -0.597 114.979 115.700 -0.206 0.000 2.399 472 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 472 S C 2.106 176.626 174.600 -0.133 0.000 1.022 472 S CA 1.176 59.276 58.200 -0.166 0.000 0.983 472 S CB -0.549 62.590 63.200 -0.103 0.000 0.803 472 S HN 0.420 nan 8.310 nan 0.000 0.480 473 G N 1.749 110.485 108.800 -0.106 0.000 2.394 473 G HA2 0.060 4.020 3.960 -0.000 0.000 0.215 473 G HA3 0.060 4.020 3.960 -0.000 0.000 0.215 473 G C 1.476 176.343 174.900 -0.054 0.000 1.165 473 G CA 0.715 45.778 45.100 -0.062 0.000 0.784 473 G HN 0.510 nan 8.290 nan 0.000 0.535 474 L N -0.067 121.107 121.223 -0.081 0.000 2.093 474 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 474 L C 2.896 179.796 176.870 0.051 0.000 1.085 474 L CA 1.057 55.906 54.840 0.015 0.000 0.755 474 L CB -0.384 41.716 42.059 0.068 0.000 0.904 474 L HN 0.190 nan 8.230 nan 0.000 0.435 475 R N 0.729 121.111 120.500 -0.197 0.000 2.073 475 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 475 R C 2.329 178.674 176.300 0.074 0.000 1.134 475 R CA 1.551 57.636 56.100 -0.024 0.000 0.952 475 R CB -0.228 29.947 30.300 -0.208 0.000 0.850 475 R HN 0.313 nan 8.270 nan 0.000 0.433 476 A N 0.762 123.589 122.820 0.012 0.000 1.933 476 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 476 A C 2.350 179.861 177.584 -0.123 0.000 1.175 476 A CA 1.600 53.641 52.037 0.006 0.000 0.628 476 A CB -0.654 18.363 19.000 0.028 0.000 0.814 476 A HN 0.555 nan 8.150 nan 0.000 0.444 477 A N -0.319 122.455 122.820 -0.078 0.000 1.902 477 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 477 A C 2.251 179.769 177.584 -0.110 0.000 1.181 477 A CA 1.694 53.663 52.037 -0.113 0.000 0.623 477 A CB -0.476 18.508 19.000 -0.025 0.000 0.818 477 A HN 0.551 nan 8.150 nan 0.000 0.443 478 R N -0.370 120.135 120.500 0.007 0.000 2.075 478 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 478 R C 1.321 177.587 176.300 -0.056 0.000 1.126 478 R CA 1.760 57.872 56.100 0.021 0.000 0.963 478 R CB -0.303 30.080 30.300 0.138 0.000 0.858 478 R HN 0.435 nan 8.270 nan 0.000 0.435 479 D N -0.146 120.217 120.400 -0.062 0.000 2.144 479 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 479 D C 1.904 178.003 176.300 -0.335 0.000 0.984 479 D CA 1.026 54.974 54.000 -0.087 0.000 0.834 479 D CB -0.075 40.768 40.800 0.072 0.000 0.955 479 D HN 0.105 nan 8.370 nan 0.000 0.465 480 V N 1.171 120.717 119.914 -0.613 0.000 2.358 480 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 480 V C 2.206 177.915 176.094 -0.642 0.000 1.047 480 V CA 1.492 63.236 62.300 -0.926 0.000 1.035 480 V CB -0.530 30.728 31.823 -0.942 0.000 0.658 480 V HN 0.129 nan 8.190 nan 0.000 0.452 481 N N 0.304 118.778 118.700 -0.377 0.000 2.120 481 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 481 N C 1.656 177.109 175.510 -0.096 0.000 1.024 481 N CA 1.598 54.547 53.050 -0.168 0.000 0.852 481 N CB -0.272 38.195 38.487 -0.033 0.000 1.003 481 N HN 0.438 nan 8.380 nan 0.000 0.424 482 L N -0.474 120.687 121.223 -0.103 0.000 2.093 482 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 482 L C 2.353 179.201 176.870 -0.036 0.000 1.085 482 L CA 1.076 55.890 54.840 -0.045 0.000 0.755 482 L CB -0.539 41.506 42.059 -0.023 0.000 0.904 482 L HN 0.201 nan 8.230 nan 0.000 0.435 483 A N 0.173 122.933 122.820 -0.100 0.000 1.969 483 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 483 A C 2.513 180.125 177.584 0.046 0.000 1.169 483 A CA 1.728 53.752 52.037 -0.023 0.000 0.635 483 A CB -0.575 18.384 19.000 -0.068 0.000 0.810 483 A HN 0.515 nan 8.150 nan 0.000 0.445 484 S N 0.030 115.706 115.700 -0.041 0.000 2.423 484 S HA -0.161 4.309 4.470 -0.000 0.000 0.231 484 S C 1.510 176.183 174.600 0.122 0.000 1.014 484 S CA 1.347 59.618 58.200 0.120 0.000 0.965 484 S CB -0.379 62.905 63.200 0.141 0.000 0.785 484 S HN 0.702 nan 8.310 nan 0.000 0.495 485 E N 1.360 121.604 120.200 0.074 0.000 2.170 485 E HA 0.068 4.418 4.350 -0.000 0.000 0.191 485 E C 0.974 177.610 176.600 0.060 0.000 0.981 485 E CA 0.210 56.646 56.400 0.060 0.000 0.830 485 E CB -0.136 29.585 29.700 0.036 0.000 0.775 485 E HN 0.624 nan 8.360 nan 0.000 0.470 486 N N 0.000 118.741 118.700 0.068 0.000 1.763 486 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 486 N CA 0.000 53.092 53.050 0.070 0.000 0.885 486 N CB 0.000 38.533 38.487 0.077 0.000 1.341 486 N HN 0.000 nan 8.380 nan 0.000 0.667