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 1a4z_1_D DATA FIRST_RESID 8 DATA SEQUENCE VPTPNQQPEV LYNQIFINNE WHDAVSKKTF PTVNPSTGDV ICHVAEGDKA DATA SEQUENCE DVDRAVKAAR AAFQLGSPWR RMDASERGRL LNRLADLIER DRTYLAALET DATA SEQUENCE LDNGKPYIIS YLVDLDMVLK CLRYYAGWAD KYHGKTIPID GDYFSYTRHE DATA SEQUENCE PVGVCGQIIP WNFPLLMQAW KLGPALATGN VVVMKVAEQT PLTALYVANL DATA SEQUENCE IKEAGFPPGV VNVIPGFGPT AGAAIASHED VDKVAFTGST EVGHLIQVAA DATA SEQUENCE GKSNLKRVTL EIGGKSPNII MSDADMDWAV EQAHFALFFN QGQCCCAGSR DATA SEQUENCE TFVQEDIYAE FVERSVARAK SRVVGNPFDS RTEQGPQVDE TQFKKVLGYI DATA SEQUENCE KSGKEEGLKL LCGGGAAADR GYFIQPTVFG DLQDGMTIAK EEIFGPVMQI DATA SEQUENCE LKFKSMEEVV GRANNSKYGL AAAVFTKDLD KANYLSQALQ AGTVWVNCYD DATA SEQUENCE VFGAQSPFGG YKLSGSGREL GEYGLQAYTE VKTVTVRVPQ KNS 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 8 V HA 0.000 nan 4.120 nan 0.000 0.244 8 V C 0.000 175.958 176.094 -0.227 0.000 1.182 8 V CA 0.000 62.093 62.300 -0.346 0.000 1.235 8 V CB 0.000 31.645 31.823 -0.297 0.000 1.184 9 P HA 0.179 nan 4.420 nan 0.000 0.271 9 P C -0.000 177.324 177.300 0.040 0.000 1.218 9 P CA 0.124 63.187 63.100 -0.062 0.000 0.780 9 P CB 0.970 32.667 31.700 -0.004 0.000 0.901 10 T N 3.565 118.132 114.554 0.021 0.000 2.853 10 T HA 0.192 4.542 4.350 -0.000 0.000 0.298 10 T C -1.717 172.931 174.700 -0.087 0.000 0.978 10 T CA -1.085 61.008 62.100 -0.011 0.000 1.152 10 T CB -0.354 68.497 68.868 -0.029 0.000 0.914 10 T HN 0.349 nan 8.240 nan 0.000 0.539 11 P HA 0.239 nan 4.420 nan 0.000 0.282 11 P C -0.933 176.168 177.300 -0.332 0.000 1.287 11 P CA -0.739 62.099 63.100 -0.437 0.000 0.792 11 P CB 0.675 31.735 31.700 -1.068 0.000 1.163 12 N N 0.054 118.571 118.700 -0.305 0.000 2.501 12 N HA 0.061 4.801 4.740 -0.000 0.000 0.245 12 N C 0.795 175.997 175.510 -0.513 0.000 0.974 12 N CA -0.301 52.578 53.050 -0.285 0.000 0.941 12 N CB 0.492 38.903 38.487 -0.126 0.000 1.122 12 N HN 0.150 nan 8.380 nan 0.000 0.507 13 Q N 1.553 120.935 119.800 -0.697 0.000 2.449 13 Q HA -0.158 4.182 4.340 -0.000 0.000 0.214 13 Q C -0.221 175.432 176.000 -0.578 0.000 0.986 13 Q CA 1.521 56.699 55.803 -1.041 0.000 0.893 13 Q CB 0.116 28.441 28.738 -0.688 0.000 0.940 13 Q HN 0.671 nan 8.270 nan 0.000 0.477 14 Q N 0.233 119.838 119.800 -0.324 0.000 3.230 14 Q HA 0.244 4.584 4.340 -0.000 0.000 0.303 14 Q C -2.446 173.501 176.000 -0.087 0.000 0.884 14 Q CA -1.490 54.216 55.803 -0.162 0.000 0.859 14 Q CB 1.398 30.063 28.738 -0.122 0.000 1.432 14 Q HN 0.092 nan 8.270 nan 0.000 0.403 15 P HA -0.055 nan 4.420 nan 0.000 0.268 15 P C -0.322 177.039 177.300 0.101 0.000 1.204 15 P CA 0.085 63.221 63.100 0.060 0.000 0.768 15 P CB 1.015 32.728 31.700 0.022 0.000 0.842 16 E N 1.109 121.397 120.200 0.146 0.000 2.415 16 E HA 0.116 4.466 4.350 -0.000 0.000 0.263 16 E C -0.286 176.408 176.600 0.156 0.000 0.995 16 E CA -0.263 56.190 56.400 0.089 0.000 0.915 16 E CB 0.620 30.332 29.700 0.020 0.000 0.951 16 E HN 0.232 nan 8.360 nan 0.000 0.449 17 V N 6.260 126.215 119.914 0.067 0.000 2.353 17 V HA 0.031 4.151 4.120 -0.000 0.000 0.264 17 V C 1.063 177.150 176.094 -0.011 0.000 1.049 17 V CA 0.047 62.388 62.300 0.068 0.000 0.896 17 V CB 0.532 32.361 31.823 0.010 0.000 1.025 17 V HN 0.647 nan 8.190 nan 0.000 0.475 18 L N 4.283 125.512 121.223 0.011 0.000 2.354 18 L HA 0.243 4.583 4.340 -0.000 0.000 0.212 18 L C -0.141 176.269 176.870 -0.767 0.000 1.091 18 L CA 0.751 55.400 54.840 -0.319 0.000 0.828 18 L CB -0.007 41.880 42.059 -0.286 0.000 0.973 18 L HN 0.492 nan 8.230 nan 0.000 0.461 19 Y N 0.708 120.908 120.300 -0.166 0.000 2.391 19 Y HA 0.327 4.877 4.550 -0.000 0.000 0.341 19 Y C 0.125 175.836 175.900 -0.315 0.000 0.965 19 Y CA -1.353 56.461 58.100 -0.477 0.000 1.067 19 Y CB 1.088 39.072 38.460 -0.793 0.000 1.199 19 Y HN 0.021 nan 8.280 nan 0.000 0.450 20 N N 0.631 119.206 118.700 -0.208 0.000 2.471 20 N HA 0.172 4.912 4.740 -0.000 0.000 0.270 20 N C -0.751 174.755 175.510 -0.006 0.000 1.490 20 N CA -0.344 52.654 53.050 -0.086 0.000 0.850 20 N CB 0.202 38.628 38.487 -0.101 0.000 1.411 20 N HN 0.727 nan 8.380 nan 0.000 0.488 21 Q N -0.207 119.662 119.800 0.116 0.000 3.156 21 Q HA 0.600 4.940 4.340 -0.000 0.000 0.301 21 Q C -0.574 175.744 176.000 0.531 0.000 1.026 21 Q CA -0.929 55.059 55.803 0.309 0.000 0.827 21 Q CB 1.771 30.733 28.738 0.373 0.000 1.490 21 Q HN 0.143 nan 8.270 nan 0.000 0.492 22 I N 1.207 122.054 120.570 0.460 0.000 2.365 22 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 22 I C -0.929 175.359 176.117 0.285 0.000 1.004 22 I CA -0.254 61.254 61.300 0.347 0.000 1.311 22 I CB 0.605 38.729 38.000 0.207 0.000 1.401 22 I HN 0.369 nan 8.210 nan 0.000 0.491 23 F N 8.259 128.139 119.950 -0.117 0.000 2.334 23 F HA 0.607 5.134 4.527 -0.000 0.000 0.367 23 F C -0.526 175.043 175.800 -0.386 0.000 1.115 23 F CA -0.414 57.231 58.000 -0.591 0.000 1.116 23 F CB 0.387 38.807 39.000 -0.967 0.000 1.230 23 F HN 0.172 nan 8.300 nan 0.000 0.484 24 I N 5.603 125.740 120.570 -0.721 0.000 2.571 24 I HA 0.216 4.386 4.170 -0.000 0.000 0.289 24 I C -0.353 175.337 176.117 -0.711 0.000 1.115 24 I CA -1.046 59.922 61.300 -0.553 0.000 1.045 24 I CB 1.827 39.630 38.000 -0.327 0.000 1.238 24 I HN 0.503 nan 8.210 nan 0.000 0.424 25 N N 4.202 122.547 118.700 -0.591 0.000 2.754 25 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 25 N C -0.046 175.101 175.510 -0.606 0.000 1.093 25 N CA 0.833 53.597 53.050 -0.477 0.000 0.699 25 N CB -0.900 37.379 38.487 -0.346 0.000 1.016 25 N HN 0.837 nan 8.380 nan 0.000 0.552 26 N N -0.941 117.162 118.700 -0.996 0.000 2.714 26 N HA -0.222 4.518 4.740 -0.000 0.000 0.250 26 N C -0.737 174.312 175.510 -0.768 0.000 1.117 26 N CA 1.697 54.203 53.050 -0.907 0.000 0.719 26 N CB -0.806 37.529 38.487 -0.253 0.000 1.081 26 N HN 0.718 nan 8.380 nan 0.000 0.557 27 E N -1.372 118.219 120.200 -1.016 0.000 2.317 27 E HA 0.409 4.759 4.350 -0.000 0.000 0.270 27 E C -0.784 175.477 176.600 -0.566 0.000 0.885 27 E CA -0.695 55.379 56.400 -0.544 0.000 0.760 27 E CB 1.187 30.641 29.700 -0.411 0.000 1.227 27 E HN 0.150 nan 8.360 nan 0.000 0.434 28 W N 1.933 123.284 121.300 0.086 0.000 2.391 28 W HA 0.390 5.050 4.660 -0.000 0.000 0.311 28 W C 0.324 177.075 176.519 0.387 0.000 1.087 28 W CA -0.283 57.194 57.345 0.221 0.000 1.209 28 W CB 0.922 30.557 29.460 0.291 0.000 1.273 28 W HN 0.348 nan 8.180 nan 0.000 0.482 29 H N 0.935 120.173 119.070 0.279 0.000 2.946 29 H HA 0.213 4.769 4.556 -0.000 0.000 0.365 29 H C -0.749 174.681 175.328 0.169 0.000 1.197 29 H CA -1.277 54.872 56.048 0.168 0.000 1.131 29 H CB 2.303 32.115 29.762 0.084 0.000 1.849 29 H HN 0.194 nan 8.280 nan 0.000 0.555 30 D N 0.269 120.794 120.400 0.208 0.000 2.433 30 D HA 0.329 4.969 4.640 -0.000 0.000 0.255 30 D C 0.132 176.527 176.300 0.158 0.000 1.226 30 D CA -0.382 53.709 54.000 0.152 0.000 1.015 30 D CB 0.558 41.409 40.800 0.085 0.000 1.091 30 D HN 0.590 nan 8.370 nan 0.000 0.527 31 A N -0.143 122.761 122.820 0.139 0.000 2.366 31 A HA 0.187 4.507 4.320 -0.000 0.000 0.249 31 A C 1.451 179.101 177.584 0.111 0.000 1.084 31 A CA -0.521 51.598 52.037 0.137 0.000 0.794 31 A CB 0.253 19.342 19.000 0.148 0.000 1.034 31 A HN 0.377 nan 8.150 nan 0.000 0.491 32 V N 1.645 121.621 119.914 0.104 0.000 2.469 32 V HA -0.229 3.891 4.120 -0.000 0.000 0.251 32 V C 2.557 178.695 176.094 0.072 0.000 1.064 32 V CA 2.701 65.052 62.300 0.083 0.000 1.066 32 V CB -0.863 31.006 31.823 0.077 0.000 0.667 32 V HN 1.084 nan 8.190 nan 0.000 0.461 33 S N -1.643 114.106 115.700 0.081 0.000 2.558 33 S HA 0.014 4.484 4.470 -0.000 0.000 0.217 33 S C 1.100 175.742 174.600 0.071 0.000 0.975 33 S CA 0.381 58.625 58.200 0.073 0.000 0.912 33 S CB -0.202 63.048 63.200 0.084 0.000 0.776 33 S HN 0.608 nan 8.310 nan 0.000 0.526 34 K N -0.008 120.438 120.400 0.077 0.000 3.407 34 K HA -0.159 4.161 4.320 -0.000 0.000 0.312 34 K C -0.496 176.151 176.600 0.077 0.000 1.302 34 K CA 0.975 57.302 56.287 0.067 0.000 0.931 34 K CB -1.426 31.100 32.500 0.043 0.000 1.257 34 K HN 0.532 nan 8.250 nan 0.000 0.454 35 K N 1.180 121.645 120.400 0.107 0.000 2.168 35 K HA 0.248 4.568 4.320 -0.000 0.000 0.258 35 K C 0.643 177.344 176.600 0.168 0.000 1.010 35 K CA 0.520 56.889 56.287 0.137 0.000 0.929 35 K CB 1.081 33.683 32.500 0.170 0.000 0.998 35 K HN 0.253 nan 8.250 nan 0.000 0.479 36 T N -1.168 113.502 114.554 0.193 0.000 2.864 36 T HA 0.685 5.035 4.350 -0.000 0.000 0.299 36 T C -1.053 173.853 174.700 0.343 0.000 1.166 36 T CA -1.019 61.188 62.100 0.179 0.000 1.007 36 T CB 0.821 69.748 68.868 0.098 0.000 1.219 36 T HN 0.476 nan 8.240 nan 0.000 0.506 37 F N -0.628 119.457 119.950 0.226 0.000 2.588 37 F HA 0.866 5.393 4.527 -0.000 0.000 0.310 37 F C -3.066 172.728 175.800 -0.009 0.000 1.082 37 F CA -2.805 55.319 58.000 0.207 0.000 0.929 37 F CB 1.299 40.461 39.000 0.271 0.000 1.254 37 F HN 0.450 nan 8.300 nan 0.000 0.455 38 P HA 0.195 nan 4.420 nan 0.000 0.277 38 P C -0.904 176.352 177.300 -0.073 0.000 1.240 38 P CA -0.112 62.726 63.100 -0.437 0.000 0.798 38 P CB 1.933 33.406 31.700 -0.378 0.000 0.979 39 T N 1.153 115.618 114.554 -0.148 0.000 2.841 39 T HA 0.419 4.769 4.350 -0.000 0.000 0.285 39 T C -0.662 174.005 174.700 -0.055 0.000 0.991 39 T CA -0.492 61.588 62.100 -0.033 0.000 0.966 39 T CB 0.454 69.303 68.868 -0.031 0.000 0.962 39 T HN 0.071 nan 8.240 nan 0.000 0.438 40 V N 5.483 125.381 119.914 -0.026 0.000 2.732 40 V HA 0.492 4.612 4.120 -0.000 0.000 0.310 40 V C 0.573 176.660 176.094 -0.011 0.000 1.053 40 V CA -1.129 61.162 62.300 -0.014 0.000 0.957 40 V CB 1.844 33.681 31.823 0.024 0.000 1.018 40 V HN 0.891 nan 8.190 nan 0.000 0.452 41 N N 4.909 123.599 118.700 -0.016 0.000 2.437 41 N HA 0.192 4.932 4.740 -0.000 0.000 0.243 41 N C -1.593 173.889 175.510 -0.047 0.000 1.041 41 N CA -1.594 51.440 53.050 -0.027 0.000 0.940 41 N CB 1.852 40.324 38.487 -0.025 0.000 1.133 41 N HN 0.388 nan 8.380 nan 0.000 0.506 42 P HA -0.156 nan 4.420 nan 0.000 0.218 42 P C 0.845 177.926 177.300 -0.365 0.000 1.146 42 P CA 1.246 64.346 63.100 0.001 0.000 0.813 42 P CB 0.184 31.884 31.700 -0.000 0.000 0.778 43 S N -0.973 114.558 115.700 -0.281 0.000 2.481 43 S HA -0.050 4.420 4.470 -0.000 0.000 0.231 43 S C 1.775 176.234 174.600 -0.234 0.000 0.996 43 S CA 1.625 59.646 58.200 -0.298 0.000 0.942 43 S CB -1.169 62.025 63.200 -0.011 0.000 0.768 43 S HN 0.418 nan 8.310 nan 0.000 0.520 44 T N -3.559 110.851 114.554 -0.240 0.000 2.989 44 T HA 0.551 4.901 4.350 -0.000 0.000 0.250 44 T C 1.623 176.154 174.700 -0.282 0.000 0.981 44 T CA 0.650 62.633 62.100 -0.195 0.000 0.980 44 T CB 0.071 68.883 68.868 -0.093 0.000 1.133 44 T HN 0.781 nan 8.240 nan 0.000 0.489 45 G N 1.689 110.306 108.800 -0.305 0.000 2.175 45 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.244 45 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.244 45 G C -0.524 174.328 174.900 -0.080 0.000 0.982 45 G CA 0.024 44.977 45.100 -0.245 0.000 0.641 45 G HN 0.614 nan 8.290 nan 0.000 0.527 46 D N 0.287 120.641 120.400 -0.075 0.000 2.264 46 D HA 0.497 5.137 4.640 -0.000 0.000 0.249 46 D C 0.735 177.019 176.300 -0.027 0.000 1.070 46 D CA -0.356 53.620 54.000 -0.039 0.000 0.912 46 D CB 1.789 42.565 40.800 -0.039 0.000 1.193 46 D HN 0.139 nan 8.370 nan 0.000 0.427 47 V N 3.105 123.008 119.914 -0.018 0.000 2.521 47 V HA 0.025 4.145 4.120 -0.000 0.000 0.286 47 V C 1.686 177.760 176.094 -0.034 0.000 1.034 47 V CA 0.041 62.320 62.300 -0.035 0.000 1.045 47 V CB 0.571 32.374 31.823 -0.034 0.000 0.974 47 V HN 0.494 nan 8.190 nan 0.000 0.480 48 I N 3.828 124.369 120.570 -0.048 0.000 2.277 48 I HA -0.000 4.169 4.170 -0.000 0.000 0.243 48 I C 1.062 177.157 176.117 -0.036 0.000 1.094 48 I CA 1.437 62.715 61.300 -0.037 0.000 1.393 48 I CB 0.088 38.067 38.000 -0.036 0.000 1.078 48 I HN 0.910 nan 8.210 nan 0.000 0.417 49 C N -2.555 116.702 119.300 -0.072 0.000 3.241 49 C HA 0.392 4.852 4.460 -0.000 0.000 0.354 49 C C -0.935 173.954 174.990 -0.169 0.000 1.462 49 C CA -1.072 57.921 59.018 -0.043 0.000 1.169 49 C CB 1.373 29.095 27.740 -0.030 0.000 1.618 49 C HN 0.197 nan 8.230 nan 0.000 0.429 50 H N -0.010 118.992 119.070 -0.113 0.000 2.505 50 H HA 0.700 5.256 4.556 -0.000 0.000 0.338 50 H C -0.824 174.337 175.328 -0.279 0.000 1.057 50 H CA -0.062 55.881 56.048 -0.175 0.000 1.202 50 H CB 2.035 31.735 29.762 -0.104 0.000 1.466 50 H HN 0.634 nan 8.280 nan 0.000 0.499 51 V N 1.956 121.565 119.914 -0.509 0.000 2.630 51 V HA 0.371 4.491 4.120 -0.000 0.000 0.305 51 V C 0.556 176.302 176.094 -0.580 0.000 1.046 51 V CA -1.028 60.915 62.300 -0.594 0.000 0.934 51 V CB 1.616 32.958 31.823 -0.802 0.000 1.003 51 V HN 0.910 nan 8.190 nan 0.000 0.451 52 A N 2.455 125.163 122.820 -0.187 0.000 2.540 52 A HA 0.180 4.500 4.320 -0.000 0.000 0.239 52 A C 0.369 178.064 177.584 0.185 0.000 1.061 52 A CA 0.143 52.195 52.037 0.025 0.000 0.758 52 A CB -0.091 18.980 19.000 0.120 0.000 0.991 52 A HN 0.888 nan 8.150 nan 0.000 0.502 53 E N 2.459 122.854 120.200 0.326 0.000 1.993 53 E HA 0.378 4.727 4.350 -0.000 0.000 0.271 53 E C 0.602 177.386 176.600 0.306 0.000 1.008 53 E CA -0.296 56.406 56.400 0.504 0.000 0.814 53 E CB 0.404 30.438 29.700 0.555 0.000 1.098 53 E HN 0.819 nan 8.360 nan 0.000 0.407 54 G N 3.348 112.306 108.800 0.263 0.000 2.569 54 G HA2 0.114 4.074 3.960 -0.000 0.000 0.249 54 G HA3 0.114 4.074 3.960 -0.000 0.000 0.249 54 G C -0.296 174.701 174.900 0.163 0.000 1.216 54 G CA -0.141 45.069 45.100 0.184 0.000 0.845 54 G HN 0.582 nan 8.290 nan 0.000 0.568 55 D N -1.113 119.367 120.400 0.134 0.000 2.825 55 D HA 0.182 4.822 4.640 -0.000 0.000 0.327 55 D C 1.179 177.541 176.300 0.102 0.000 1.277 55 D CA -0.793 53.279 54.000 0.119 0.000 0.950 55 D CB 1.365 42.234 40.800 0.116 0.000 1.438 55 D HN 0.251 nan 8.370 nan 0.000 0.526 56 K N 0.061 120.517 120.400 0.093 0.000 2.059 56 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 56 K C 1.722 178.380 176.600 0.097 0.000 1.050 56 K CA 1.894 58.237 56.287 0.094 0.000 0.927 56 K CB -0.327 32.218 32.500 0.074 0.000 0.714 56 K HN 0.370 nan 8.250 nan 0.000 0.447 57 A N 1.680 124.550 122.820 0.083 0.000 1.908 57 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 57 A C 1.713 179.344 177.584 0.078 0.000 1.181 57 A CA 2.118 54.202 52.037 0.078 0.000 0.627 57 A CB -0.508 18.534 19.000 0.070 0.000 0.818 57 A HN 0.420 nan 8.150 nan 0.000 0.445 58 D N -0.408 120.041 120.400 0.082 0.000 2.149 58 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 58 D C 2.058 178.390 176.300 0.053 0.000 0.972 58 D CA 1.333 55.377 54.000 0.073 0.000 0.835 58 D CB -0.205 40.650 40.800 0.092 0.000 0.966 58 D HN 0.256 nan 8.370 nan 0.000 0.476 59 V N 1.883 121.836 119.914 0.065 0.000 2.295 59 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 59 V C 1.886 177.991 176.094 0.019 0.000 1.049 59 V CA 1.805 64.129 62.300 0.041 0.000 1.024 59 V CB -0.432 31.439 31.823 0.080 0.000 0.648 59 V HN 0.002 nan 8.190 nan 0.000 0.447 60 D N -0.351 120.111 120.400 0.105 0.000 2.104 60 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 60 D C 2.394 178.729 176.300 0.058 0.000 0.994 60 D CA 1.299 55.396 54.000 0.162 0.000 0.830 60 D CB -0.280 40.623 40.800 0.172 0.000 0.959 60 D HN 0.286 nan 8.370 nan 0.000 0.452 61 R N 0.195 120.717 120.500 0.037 0.000 2.080 61 R HA -0.124 4.216 4.340 -0.000 0.000 0.236 61 R C 2.242 178.521 176.300 -0.036 0.000 1.137 61 R CA 1.467 57.570 56.100 0.006 0.000 0.943 61 R CB -0.339 29.966 30.300 0.007 0.000 0.846 61 R HN 0.158 nan 8.270 nan 0.000 0.431 62 A N 0.272 123.062 122.820 -0.049 0.000 1.908 62 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 62 A C 2.319 179.842 177.584 -0.101 0.000 1.181 62 A CA 1.606 53.593 52.037 -0.084 0.000 0.627 62 A CB -0.604 18.353 19.000 -0.071 0.000 0.818 62 A HN 0.170 nan 8.150 nan 0.000 0.445 63 V N 0.277 120.111 119.914 -0.133 0.000 2.332 63 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 63 V C 2.464 178.507 176.094 -0.086 0.000 1.055 63 V CA 2.391 64.580 62.300 -0.185 0.000 1.038 63 V CB -0.721 30.840 31.823 -0.436 0.000 0.651 63 V HN 0.549 nan 8.190 nan 0.000 0.450 64 K N 0.248 120.625 120.400 -0.040 0.000 2.032 64 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 64 K C 2.352 178.941 176.600 -0.018 0.000 1.048 64 K CA 1.559 57.843 56.287 -0.005 0.000 0.927 64 K CB -0.492 32.014 32.500 0.010 0.000 0.712 64 K HN 0.478 nan 8.250 nan 0.000 0.441 65 A N 1.648 124.439 122.820 -0.048 0.000 1.883 65 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 65 A C 2.400 179.957 177.584 -0.046 0.000 1.186 65 A CA 2.083 54.081 52.037 -0.066 0.000 0.624 65 A CB -0.742 18.187 19.000 -0.118 0.000 0.822 65 A HN 0.367 nan 8.150 nan 0.000 0.444 66 A N -0.390 122.400 122.820 -0.051 0.000 1.873 66 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 66 A C 2.175 179.790 177.584 0.050 0.000 1.186 66 A CA 2.129 54.150 52.037 -0.026 0.000 0.616 66 A CB -0.468 18.493 19.000 -0.065 0.000 0.823 66 A HN 0.458 nan 8.150 nan 0.000 0.442 67 R N 0.516 121.040 120.500 0.040 0.000 2.083 67 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 67 R C 2.125 178.509 176.300 0.141 0.000 1.137 67 R CA 2.258 58.418 56.100 0.099 0.000 0.951 67 R CB -1.172 29.167 30.300 0.065 0.000 0.851 67 R HN 0.395 nan 8.270 nan 0.000 0.434 68 A N 0.256 123.127 122.820 0.084 0.000 1.902 68 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 68 A C 2.387 180.032 177.584 0.101 0.000 1.181 68 A CA 1.977 54.058 52.037 0.074 0.000 0.623 68 A CB -1.141 17.879 19.000 0.035 0.000 0.818 68 A HN 0.508 nan 8.150 nan 0.000 0.443 69 A N -2.128 120.755 122.820 0.105 0.000 2.070 69 A HA -0.018 4.302 4.320 -0.000 0.000 0.220 69 A C 1.784 179.536 177.584 0.279 0.000 1.159 69 A CA 1.429 53.548 52.037 0.137 0.000 0.656 69 A CB -0.560 18.477 19.000 0.062 0.000 0.800 69 A HN 0.579 nan 8.150 nan 0.000 0.453 70 F N -0.145 119.876 119.950 0.119 0.000 2.765 70 F HA 0.280 4.807 4.527 -0.000 0.000 0.302 70 F C 0.791 176.657 175.800 0.110 0.000 1.111 70 F CA -0.287 57.806 58.000 0.156 0.000 1.359 70 F CB -0.104 38.974 39.000 0.129 0.000 1.097 70 F HN 0.108 nan 8.300 nan 0.000 0.577 71 Q N 1.455 121.304 119.800 0.082 0.000 2.286 71 Q HA 0.073 4.413 4.340 -0.000 0.000 0.290 71 Q C -0.507 175.442 176.000 -0.085 0.000 1.049 71 Q CA 0.251 56.059 55.803 0.008 0.000 0.923 71 Q CB 0.490 29.252 28.738 0.039 0.000 1.183 71 Q HN 0.294 nan 8.270 nan 0.000 0.383 72 L N 3.004 124.166 121.223 -0.103 0.000 2.584 72 L HA 0.240 4.580 4.340 -0.000 0.000 0.272 72 L C 1.100 177.933 176.870 -0.062 0.000 1.195 72 L CA 2.083 56.854 54.840 -0.115 0.000 0.920 72 L CB -0.098 41.913 42.059 -0.079 0.000 1.173 72 L HN 0.840 nan 8.230 nan 0.000 0.489 73 G N 1.934 110.696 108.800 -0.063 0.000 2.201 73 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.212 73 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.212 73 G C 0.466 175.361 174.900 -0.009 0.000 0.994 73 G CA 0.059 45.141 45.100 -0.029 0.000 0.644 73 G HN 0.747 nan 8.290 nan 0.000 0.508 74 S N 1.514 117.211 115.700 -0.005 0.000 2.584 74 S HA 0.391 4.861 4.470 -0.000 0.000 0.270 74 S C -0.556 174.085 174.600 0.069 0.000 1.346 74 S CA -0.110 58.116 58.200 0.045 0.000 1.018 74 S CB 1.412 64.661 63.200 0.082 0.000 0.899 74 S HN 0.125 nan 8.310 nan 0.000 0.542 75 P HA -0.116 nan 4.420 nan 0.000 0.215 75 P C 1.283 178.700 177.300 0.195 0.000 1.153 75 P CA 1.003 64.174 63.100 0.118 0.000 0.853 75 P CB 0.012 31.784 31.700 0.120 0.000 0.788 76 W N 0.120 121.430 121.300 0.016 0.000 2.381 76 W HA -0.149 4.511 4.660 -0.000 0.000 0.301 76 W C 1.794 178.318 176.519 0.008 0.000 1.205 76 W CA 0.644 58.013 57.345 0.040 0.000 1.285 76 W CB -0.114 29.402 29.460 0.092 0.000 1.133 76 W HN -0.167 nan 8.180 nan 0.000 0.521 77 R N 0.395 120.891 120.500 -0.008 0.000 2.090 77 R HA -0.074 4.266 4.340 -0.000 0.000 0.228 77 R C 2.116 178.316 176.300 -0.167 0.000 1.110 77 R CA 1.145 57.123 56.100 -0.203 0.000 0.973 77 R CB -0.802 29.361 30.300 -0.227 0.000 0.869 77 R HN 0.292 nan 8.270 nan 0.000 0.440 78 R N -0.197 120.252 120.500 -0.085 0.000 2.153 78 R HA 0.125 4.465 4.340 -0.000 0.000 0.218 78 R C 1.176 177.432 176.300 -0.073 0.000 1.072 78 R CA -0.108 55.951 56.100 -0.067 0.000 0.990 78 R CB -0.072 30.210 30.300 -0.029 0.000 0.889 78 R HN 0.116 nan 8.270 nan 0.000 0.452 79 M N 1.946 121.501 119.600 -0.074 0.000 2.235 79 M HA -0.096 4.384 4.480 -0.000 0.000 0.336 79 M C -0.700 175.526 176.300 -0.123 0.000 1.146 79 M CA 0.584 55.838 55.300 -0.076 0.000 1.018 79 M CB 0.490 33.058 32.600 -0.054 0.000 1.694 79 M HN -0.056 nan 8.290 nan 0.000 0.451 80 D N 3.676 124.028 120.400 -0.081 0.000 2.389 80 D HA 0.154 4.794 4.640 -0.000 0.000 0.247 80 D C 0.777 177.020 176.300 -0.096 0.000 1.128 80 D CA 0.483 54.438 54.000 -0.076 0.000 0.884 80 D CB 1.287 42.061 40.800 -0.045 0.000 1.194 80 D HN 0.747 nan 8.370 nan 0.000 0.441 81 A N 2.379 125.146 122.820 -0.089 0.000 1.986 81 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 81 A C 2.098 179.656 177.584 -0.044 0.000 1.171 81 A CA 2.212 54.202 52.037 -0.080 0.000 0.640 81 A CB -0.523 18.448 19.000 -0.047 0.000 0.811 81 A HN 0.593 nan 8.150 nan 0.000 0.451 82 S N -0.275 115.405 115.700 -0.033 0.000 2.383 82 S HA -0.153 4.317 4.470 -0.000 0.000 0.227 82 S C 1.564 176.154 174.600 -0.017 0.000 1.026 82 S CA 1.284 59.472 58.200 -0.019 0.000 0.981 82 S CB -0.352 62.837 63.200 -0.018 0.000 0.818 82 S HN 0.532 nan 8.310 nan 0.000 0.472 83 E N 1.605 121.788 120.200 -0.028 0.000 2.204 83 E HA 0.021 4.371 4.350 -0.000 0.000 0.194 83 E C 2.218 178.810 176.600 -0.014 0.000 0.989 83 E CA 0.588 56.974 56.400 -0.024 0.000 0.824 83 E CB -0.341 29.345 29.700 -0.024 0.000 0.756 83 E HN 0.598 nan 8.360 nan 0.000 0.477 84 R N -0.124 120.366 120.500 -0.016 0.000 2.066 84 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 84 R C 2.435 178.795 176.300 0.100 0.000 1.131 84 R CA 1.286 57.420 56.100 0.057 0.000 0.955 84 R CB -0.558 29.720 30.300 -0.037 0.000 0.851 84 R HN 0.204 nan 8.270 nan 0.000 0.432 85 G N 0.973 109.809 108.800 0.060 0.000 2.422 85 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 85 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 85 G C 1.449 176.378 174.900 0.048 0.000 1.146 85 G CA 0.246 45.386 45.100 0.067 0.000 0.769 85 G HN 0.175 nan 8.290 nan 0.000 0.547 86 R N -0.190 120.319 120.500 0.015 0.000 2.096 86 R HA 0.089 4.429 4.340 -0.000 0.000 0.235 86 R C 2.620 178.907 176.300 -0.022 0.000 1.127 86 R CA 0.601 56.699 56.100 -0.003 0.000 0.968 86 R CB -0.650 29.640 30.300 -0.017 0.000 0.861 86 R HN 0.378 nan 8.270 nan 0.000 0.440 87 L N 0.527 121.702 121.223 -0.080 0.000 2.056 87 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 87 L C 2.467 179.331 176.870 -0.010 0.000 1.078 87 L CA 0.957 55.646 54.840 -0.251 0.000 0.749 87 L CB -0.324 41.284 42.059 -0.750 0.000 0.901 87 L HN 0.146 nan 8.230 nan 0.000 0.433 88 L N -0.510 120.809 121.223 0.160 0.000 2.083 88 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 88 L C 2.019 178.995 176.870 0.177 0.000 1.083 88 L CA 1.510 56.514 54.840 0.273 0.000 0.752 88 L CB -0.431 41.787 42.059 0.264 0.000 0.899 88 L HN 0.348 nan 8.230 nan 0.000 0.433 89 N N -0.763 118.005 118.700 0.112 0.000 2.270 89 N HA -0.182 4.558 4.740 -0.000 0.000 0.181 89 N C 1.869 177.427 175.510 0.080 0.000 1.016 89 N CA 0.424 53.526 53.050 0.086 0.000 0.870 89 N CB 0.034 38.555 38.487 0.056 0.000 0.979 89 N HN 0.088 nan 8.380 nan 0.000 0.431 90 R N 1.133 121.673 120.500 0.066 0.000 2.081 90 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 90 R C 1.877 178.233 176.300 0.093 0.000 1.131 90 R CA 0.987 57.121 56.100 0.057 0.000 0.960 90 R CB -0.762 29.549 30.300 0.017 0.000 0.856 90 R HN 0.194 nan 8.270 nan 0.000 0.436 91 L N 0.213 121.524 121.223 0.145 0.000 2.046 91 L HA 0.056 4.396 4.340 -0.000 0.000 0.208 91 L C 2.130 179.073 176.870 0.122 0.000 1.077 91 L CA 2.195 57.133 54.840 0.164 0.000 0.747 91 L CB -0.972 41.236 42.059 0.248 0.000 0.896 91 L HN 0.275 nan 8.230 nan 0.000 0.432 92 A N -0.789 122.104 122.820 0.121 0.000 1.908 92 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 92 A C 2.007 179.644 177.584 0.089 0.000 1.181 92 A CA 1.925 54.024 52.037 0.103 0.000 0.627 92 A CB -0.850 18.212 19.000 0.105 0.000 0.818 92 A HN 0.536 nan 8.150 nan 0.000 0.445 93 D N 0.116 120.566 120.400 0.083 0.000 2.117 93 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 93 D C 1.945 178.295 176.300 0.083 0.000 0.987 93 D CA 1.195 55.240 54.000 0.074 0.000 0.829 93 D CB -0.369 40.469 40.800 0.064 0.000 0.961 93 D HN 0.476 nan 8.370 nan 0.000 0.460 94 L N 0.413 121.690 121.223 0.089 0.000 2.093 94 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 94 L C 2.552 179.500 176.870 0.130 0.000 1.085 94 L CA 0.592 55.492 54.840 0.100 0.000 0.755 94 L CB -0.239 41.872 42.059 0.086 0.000 0.904 94 L HN 0.012 nan 8.230 nan 0.000 0.435 95 I N -0.353 120.290 120.570 0.122 0.000 2.252 95 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 95 I C 2.602 178.787 176.117 0.114 0.000 1.102 95 I CA 1.286 62.666 61.300 0.134 0.000 1.385 95 I CB -0.175 37.889 38.000 0.105 0.000 1.064 95 I HN 0.345 nan 8.210 nan 0.000 0.414 96 E N 0.995 121.248 120.200 0.088 0.000 2.106 96 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 96 E C 2.360 179.017 176.600 0.094 0.000 0.984 96 E CA 0.731 57.171 56.400 0.067 0.000 0.806 96 E CB 0.030 29.763 29.700 0.055 0.000 0.750 96 E HN 0.266 nan 8.360 nan 0.000 0.458 97 R N 0.563 121.128 120.500 0.108 0.000 2.091 97 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 97 R C 0.350 176.740 176.300 0.149 0.000 1.136 97 R CA 1.848 58.019 56.100 0.118 0.000 0.959 97 R CB 0.031 30.398 30.300 0.112 0.000 0.856 97 R HN 0.083 nan 8.270 nan 0.000 0.437 98 D N -0.347 120.163 120.400 0.184 0.000 2.491 98 D HA 0.021 4.661 4.640 -0.000 0.000 0.228 98 D C 1.111 177.543 176.300 0.221 0.000 1.183 98 D CA -0.039 54.101 54.000 0.235 0.000 0.827 98 D CB 0.333 41.341 40.800 0.347 0.000 0.989 98 D HN 0.211 nan 8.370 nan 0.000 0.494 99 R N 0.532 121.133 120.500 0.169 0.000 2.094 99 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 99 R C 1.593 178.041 176.300 0.246 0.000 1.137 99 R CA 1.915 58.084 56.100 0.115 0.000 0.943 99 R CB -0.409 29.881 30.300 -0.017 0.000 0.850 99 R HN -0.031 nan 8.270 nan 0.000 0.433 100 T N -0.022 114.763 114.554 0.385 0.000 2.684 100 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 100 T C 1.393 176.307 174.700 0.357 0.000 1.036 100 T CA 1.644 64.031 62.100 0.478 0.000 1.148 100 T CB -0.594 68.493 68.868 0.365 0.000 0.863 100 T HN 0.405 nan 8.240 nan 0.000 0.436 101 Y N 1.735 122.113 120.300 0.130 0.000 2.145 101 Y HA -0.049 4.501 4.550 -0.000 0.000 0.286 101 Y C 2.042 177.943 175.900 0.002 0.000 1.145 101 Y CA 1.005 59.115 58.100 0.017 0.000 1.148 101 Y CB -0.660 37.741 38.460 -0.097 0.000 0.981 101 Y HN 0.112 nan 8.280 nan 0.000 0.507 102 L N -0.249 120.893 121.223 -0.137 0.000 2.083 102 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 102 L C 2.769 179.586 176.870 -0.089 0.000 1.083 102 L CA 1.190 55.902 54.840 -0.214 0.000 0.752 102 L CB -0.907 41.142 42.059 -0.017 0.000 0.899 102 L HN 0.390 nan 8.230 nan 0.000 0.433 103 A N -0.130 122.745 122.820 0.091 0.000 1.877 103 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 103 A C 2.523 180.270 177.584 0.272 0.000 1.186 103 A CA 1.720 53.872 52.037 0.192 0.000 0.620 103 A CB -0.795 18.414 19.000 0.348 0.000 0.822 103 A HN 0.399 nan 8.150 nan 0.000 0.443 104 A N -0.547 122.482 122.820 0.348 0.000 1.883 104 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 104 A C 2.164 179.837 177.584 0.147 0.000 1.186 104 A CA 1.847 54.075 52.037 0.317 0.000 0.624 104 A CB -0.695 18.398 19.000 0.156 0.000 0.822 104 A HN 0.717 nan 8.150 nan 0.000 0.444 105 L N -0.152 120.990 121.223 -0.133 0.000 2.083 105 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 105 L C 2.257 179.066 176.870 -0.102 0.000 1.083 105 L CA 2.708 57.422 54.840 -0.211 0.000 0.752 105 L CB -0.609 41.127 42.059 -0.539 0.000 0.899 105 L HN 0.550 nan 8.230 nan 0.000 0.433 106 E N -1.069 119.079 120.200 -0.088 0.000 2.031 106 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 106 E C 2.037 178.596 176.600 -0.068 0.000 0.994 106 E CA 2.126 58.486 56.400 -0.066 0.000 0.800 106 E CB -0.376 29.290 29.700 -0.057 0.000 0.752 106 E HN 0.470 nan 8.360 nan 0.000 0.447 107 T N 0.708 115.217 114.554 -0.076 0.000 2.746 107 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 107 T C 1.725 176.362 174.700 -0.106 0.000 1.039 107 T CA 1.233 63.229 62.100 -0.173 0.000 1.142 107 T CB -0.380 68.238 68.868 -0.417 0.000 0.866 107 T HN 0.146 nan 8.240 nan 0.000 0.444 108 L N 1.193 122.433 121.223 0.028 0.000 2.042 108 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 108 L C 1.957 178.837 176.870 0.016 0.000 1.076 108 L CA 1.922 56.825 54.840 0.105 0.000 0.749 108 L CB -0.351 41.783 42.059 0.125 0.000 0.893 108 L HN 0.105 nan 8.230 nan 0.000 0.432 109 D N -1.917 118.474 120.400 -0.015 0.000 2.327 109 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 109 D C 1.821 178.098 176.300 -0.038 0.000 0.989 109 D CA 0.558 54.543 54.000 -0.025 0.000 0.873 109 D CB 0.056 40.844 40.800 -0.021 0.000 0.955 109 D HN 0.435 nan 8.370 nan 0.000 0.515 110 N N -0.790 117.879 118.700 -0.053 0.000 2.499 110 N HA 0.013 4.753 4.740 -0.000 0.000 0.182 110 N C 1.357 176.814 175.510 -0.089 0.000 1.034 110 N CA 1.459 54.473 53.050 -0.060 0.000 0.882 110 N CB 0.861 39.307 38.487 -0.068 0.000 1.125 110 N HN 0.235 nan 8.380 nan 0.000 0.436 111 G N 1.538 110.273 108.800 -0.109 0.000 2.278 111 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.210 111 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.210 111 G C -0.098 174.722 174.900 -0.133 0.000 1.000 111 G CA 0.303 45.333 45.100 -0.118 0.000 0.635 111 G HN 0.640 nan 8.290 nan 0.000 0.495 112 K N 1.165 121.463 120.400 -0.170 0.000 2.380 112 K HA 0.437 4.757 4.320 -0.000 0.000 0.267 112 K C -2.722 173.768 176.600 -0.183 0.000 0.990 112 K CA -1.132 55.036 56.287 -0.199 0.000 0.946 112 K CB 0.329 32.662 32.500 -0.277 0.000 0.937 112 K HN 0.100 nan 8.250 nan 0.000 0.491 113 P HA -0.099 nan 4.420 nan 0.000 0.264 113 P C -0.249 176.974 177.300 -0.129 0.000 1.193 113 P CA -0.087 62.942 63.100 -0.118 0.000 0.763 113 P CB 0.148 31.814 31.700 -0.057 0.000 0.810 114 Y N 6.485 126.601 120.300 -0.306 0.000 2.151 114 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 114 Y C 1.820 177.699 175.900 -0.035 0.000 1.166 114 Y CA 1.763 59.715 58.100 -0.247 0.000 1.163 114 Y CB -0.663 37.627 38.460 -0.283 0.000 0.974 114 Y HN 0.247 nan 8.280 nan 0.000 0.511 115 I N -1.203 119.256 120.570 -0.185 0.000 2.194 115 I HA -0.278 3.892 4.170 -0.000 0.000 0.246 115 I C 2.195 178.256 176.117 -0.093 0.000 1.093 115 I CA 1.655 62.848 61.300 -0.179 0.000 1.355 115 I CB -1.729 36.254 38.000 -0.029 0.000 1.046 115 I HN 0.244 nan 8.210 nan 0.000 0.413 116 I N 1.712 122.251 120.570 -0.051 0.000 2.202 116 I HA -0.182 3.988 4.170 -0.000 0.000 0.242 116 I C 2.846 178.958 176.117 -0.008 0.000 1.091 116 I CA 1.371 62.681 61.300 0.016 0.000 1.368 116 I CB -0.676 37.330 38.000 0.010 0.000 1.058 116 I HN 0.121 nan 8.210 nan 0.000 0.410 117 S N -0.674 114.979 115.700 -0.078 0.000 2.387 117 S HA -0.263 4.207 4.470 -0.000 0.000 0.230 117 S C 2.004 176.572 174.600 -0.053 0.000 1.035 117 S CA 1.626 59.788 58.200 -0.064 0.000 1.014 117 S CB -0.505 62.657 63.200 -0.063 0.000 0.836 117 S HN 0.482 nan 8.310 nan 0.000 0.466 118 Y N 1.464 121.604 120.300 -0.266 0.000 2.153 118 Y HA 0.078 4.628 4.550 -0.000 0.000 0.289 118 Y C 1.884 177.722 175.900 -0.103 0.000 1.119 118 Y CA 1.308 59.264 58.100 -0.240 0.000 1.116 118 Y CB -0.248 37.910 38.460 -0.502 0.000 1.004 118 Y HN 0.103 nan 8.280 nan 0.000 0.501 119 L N -1.282 120.013 121.223 0.119 0.000 2.313 119 L HA -0.072 4.268 4.340 -0.000 0.000 0.214 119 L C 1.621 178.528 176.870 0.063 0.000 1.119 119 L CA 0.285 55.184 54.840 0.099 0.000 0.809 119 L CB -0.188 41.959 42.059 0.147 0.000 0.933 119 L HN 0.151 nan 8.230 nan 0.000 0.449 120 V N -1.106 118.858 119.914 0.085 0.000 2.868 120 V HA -0.037 4.083 4.120 -0.000 0.000 0.227 120 V C 1.610 177.782 176.094 0.130 0.000 1.136 120 V CA 0.818 63.206 62.300 0.147 0.000 1.206 120 V CB -0.289 31.692 31.823 0.263 0.000 0.997 120 V HN 0.151 nan 8.190 nan 0.000 0.505 121 D N 0.882 121.359 120.400 0.128 0.000 2.137 121 D HA -0.223 4.417 4.640 -0.000 0.000 0.189 121 D C 2.061 178.385 176.300 0.041 0.000 0.998 121 D CA 1.890 55.954 54.000 0.108 0.000 0.839 121 D CB -0.353 40.485 40.800 0.064 0.000 0.962 121 D HN 0.229 nan 8.370 nan 0.000 0.446 122 L N 0.037 121.245 121.223 -0.024 0.000 2.127 122 L HA -0.201 4.138 4.340 -0.000 0.000 0.211 122 L C 2.016 178.856 176.870 -0.050 0.000 1.089 122 L CA 1.315 56.118 54.840 -0.060 0.000 0.757 122 L CB -0.337 41.630 42.059 -0.154 0.000 0.899 122 L HN 0.103 nan 8.230 nan 0.000 0.434 123 D N -0.227 120.142 120.400 -0.052 0.000 2.117 123 D HA -0.215 4.425 4.640 -0.000 0.000 0.198 123 D C 2.327 178.657 176.300 0.050 0.000 0.982 123 D CA 1.221 55.213 54.000 -0.014 0.000 0.828 123 D CB 0.085 40.884 40.800 -0.002 0.000 0.967 123 D HN 0.167 nan 8.370 nan 0.000 0.464 124 M N -0.152 119.497 119.600 0.081 0.000 2.296 124 M HA -0.082 4.398 4.480 -0.000 0.000 0.265 124 M C 2.044 178.426 176.300 0.136 0.000 1.064 124 M CA 0.524 55.901 55.300 0.128 0.000 1.109 124 M CB 0.100 32.793 32.600 0.155 0.000 1.396 124 M HN 0.065 nan 8.290 nan 0.000 0.430 125 V N 0.969 120.938 119.914 0.091 0.000 2.270 125 V HA -0.241 3.878 4.120 -0.000 0.000 0.245 125 V C 2.324 178.486 176.094 0.114 0.000 1.043 125 V CA 1.547 63.902 62.300 0.092 0.000 1.014 125 V CB -0.672 31.181 31.823 0.049 0.000 0.645 125 V HN 0.428 nan 8.190 nan 0.000 0.447 126 L N -0.412 120.863 121.223 0.086 0.000 2.012 126 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 126 L C 2.602 179.546 176.870 0.123 0.000 1.073 126 L CA 1.831 56.726 54.840 0.092 0.000 0.748 126 L CB -0.757 41.336 42.059 0.057 0.000 0.891 126 L HN 0.253 nan 8.230 nan 0.000 0.431 127 K N -0.689 119.784 120.400 0.123 0.000 2.063 127 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 127 K C 2.328 179.052 176.600 0.206 0.000 1.048 127 K CA 1.746 58.118 56.287 0.141 0.000 0.928 127 K CB -0.509 32.061 32.500 0.116 0.000 0.713 127 K HN 0.428 nan 8.250 nan 0.000 0.442 128 C N 1.177 120.621 119.300 0.239 0.000 2.462 128 C HA -0.062 4.398 4.460 -0.000 0.000 0.278 128 C C 2.485 177.729 174.990 0.423 0.000 1.253 128 C CA 0.579 59.806 59.018 0.348 0.000 1.713 128 C CB -0.945 27.021 27.740 0.377 0.000 2.049 128 C HN 0.389 nan 8.230 nan 0.000 0.477 129 L N 0.363 121.762 121.223 0.295 0.000 1.989 129 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 129 L C 2.940 179.964 176.870 0.256 0.000 1.071 129 L CA 1.963 56.959 54.840 0.262 0.000 0.749 129 L CB -0.751 41.416 42.059 0.180 0.000 0.890 129 L HN 0.266 nan 8.230 nan 0.000 0.431 130 R N -0.967 119.655 120.500 0.205 0.000 2.105 130 R HA -0.232 4.108 4.340 -0.000 0.000 0.239 130 R C 2.214 178.598 176.300 0.140 0.000 1.135 130 R CA 1.554 57.744 56.100 0.149 0.000 0.967 130 R CB -0.595 29.778 30.300 0.122 0.000 0.861 130 R HN 0.343 nan 8.270 nan 0.000 0.442 131 Y N -0.820 119.525 120.300 0.075 0.000 2.163 131 Y HA -0.245 4.305 4.550 -0.000 0.000 0.288 131 Y C 1.406 177.270 175.900 -0.060 0.000 1.136 131 Y CA 1.668 59.749 58.100 -0.030 0.000 1.147 131 Y CB -0.395 38.032 38.460 -0.055 0.000 0.987 131 Y HN 0.091 nan 8.280 nan 0.000 0.509 132 Y N -0.194 120.158 120.300 0.087 0.000 2.509 132 Y HA -0.022 4.528 4.550 -0.000 0.000 0.293 132 Y C 2.522 178.449 175.900 0.045 0.000 1.133 132 Y CA 0.757 58.900 58.100 0.073 0.000 1.283 132 Y CB -0.649 37.913 38.460 0.170 0.000 1.001 132 Y HN 0.273 nan 8.280 nan 0.000 0.555 133 A N -0.023 122.886 122.820 0.149 0.000 1.933 133 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 133 A C 2.520 180.109 177.584 0.008 0.000 1.175 133 A CA 1.728 53.828 52.037 0.104 0.000 0.628 133 A CB -1.313 17.740 19.000 0.088 0.000 0.814 133 A HN 0.447 nan 8.150 nan 0.000 0.444 134 G N -2.705 106.017 108.800 -0.131 0.000 2.534 134 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 134 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 134 G C 1.290 176.018 174.900 -0.286 0.000 1.128 134 G CA 0.508 45.458 45.100 -0.251 0.000 0.784 134 G HN 0.684 nan 8.290 nan 0.000 0.542 135 W N 0.405 121.572 121.300 -0.222 0.000 2.576 135 W HA 0.274 4.934 4.660 -0.000 0.000 0.270 135 W C 2.735 179.212 176.519 -0.070 0.000 1.255 135 W CA 0.221 57.459 57.345 -0.179 0.000 1.314 135 W CB 0.338 29.660 29.460 -0.230 0.000 1.101 135 W HN 0.241 nan 8.180 nan 0.000 0.595 136 A N 1.426 124.377 122.820 0.219 0.000 1.909 136 A HA -0.340 3.980 4.320 -0.000 0.000 0.221 136 A C 1.262 178.900 177.584 0.090 0.000 1.223 136 A CA 2.658 54.776 52.037 0.136 0.000 0.658 136 A CB -1.069 17.983 19.000 0.086 0.000 0.831 136 A HN 0.406 nan 8.150 nan 0.000 0.462 137 D N -2.278 118.155 120.400 0.055 0.000 2.463 137 D HA 0.208 4.848 4.640 -0.000 0.000 0.224 137 D C 0.775 177.042 176.300 -0.055 0.000 1.174 137 D CA 0.124 54.125 54.000 0.001 0.000 0.829 137 D CB 0.197 40.990 40.800 -0.012 0.000 0.993 137 D HN 0.527 nan 8.370 nan 0.000 0.497 138 K N -0.926 119.495 120.400 0.035 0.000 2.412 138 K HA 0.052 4.372 4.320 -0.000 0.000 0.202 138 K C -0.241 176.360 176.600 0.001 0.000 1.102 138 K CA -0.376 55.887 56.287 -0.040 0.000 1.027 138 K CB 0.572 33.145 32.500 0.123 0.000 0.931 138 K HN 0.012 nan 8.250 nan 0.000 0.557 139 Y N 3.352 123.650 120.300 -0.002 0.000 2.623 139 Y HA 0.079 4.629 4.550 -0.000 0.000 0.341 139 Y C -0.354 175.546 175.900 0.001 0.000 1.292 139 Y CA -1.085 56.986 58.100 -0.048 0.000 1.840 139 Y CB -1.269 37.102 38.460 -0.148 0.000 1.865 139 Y HN 0.069 nan 8.280 nan 0.000 0.440 140 H N 0.131 119.199 119.070 -0.003 0.000 2.895 140 H HA 0.299 4.855 4.556 -0.000 0.000 0.371 140 H C 1.024 176.133 175.328 -0.364 0.000 1.219 140 H CA 0.734 56.713 56.048 -0.116 0.000 1.431 140 H CB 0.545 30.264 29.762 -0.071 0.000 1.414 140 H HN 0.630 nan 8.280 nan 0.000 0.617 141 G N -0.412 108.176 108.800 -0.352 0.000 2.695 141 G HA2 0.531 4.491 3.960 -0.000 0.000 0.213 141 G HA3 0.531 4.491 3.960 -0.000 0.000 0.213 141 G C -0.887 173.812 174.900 -0.335 0.000 1.406 141 G CA -0.891 43.706 45.100 -0.838 0.000 1.049 141 G HN 0.727 nan 8.290 nan 0.000 0.573 142 K N -1.436 118.829 120.400 -0.225 0.000 2.532 142 K HA 0.552 4.872 4.320 -0.000 0.000 0.265 142 K C -1.309 175.287 176.600 -0.006 0.000 0.948 142 K CA -0.777 55.459 56.287 -0.086 0.000 0.842 142 K CB 1.672 34.134 32.500 -0.063 0.000 1.392 142 K HN 0.578 nan 8.250 nan 0.000 0.436 143 T N 0.027 114.603 114.554 0.037 0.000 2.744 143 T HA 0.514 4.864 4.350 -0.000 0.000 0.291 143 T C 0.142 174.894 174.700 0.087 0.000 0.957 143 T CA -0.740 61.431 62.100 0.120 0.000 1.002 143 T CB -0.002 68.996 68.868 0.216 0.000 0.919 143 T HN 0.509 nan 8.240 nan 0.000 0.468 144 I N 5.469 126.082 120.570 0.071 0.000 2.336 144 I HA 0.314 4.484 4.170 -0.000 0.000 0.292 144 I C -1.765 174.397 176.117 0.076 0.000 0.991 144 I CA -2.813 58.515 61.300 0.047 0.000 1.227 144 I CB 1.982 39.983 38.000 0.001 0.000 1.366 144 I HN 0.477 nan 8.210 nan 0.000 0.466 145 P HA 0.142 nan 4.420 nan 0.000 0.231 145 P C 0.118 177.457 177.300 0.065 0.000 1.756 145 P CA 0.161 63.306 63.100 0.075 0.000 0.990 145 P CB 0.146 31.878 31.700 0.053 0.000 1.973 146 I N 0.945 121.560 120.570 0.074 0.000 3.060 146 I HA 0.046 4.216 4.170 -0.000 0.000 0.285 146 I C 0.549 176.722 176.117 0.094 0.000 1.190 146 I CA -0.024 61.312 61.300 0.061 0.000 1.363 146 I CB 0.665 38.688 38.000 0.038 0.000 1.396 146 I HN 0.062 nan 8.210 nan 0.000 0.607 147 D N 3.634 124.082 120.400 0.080 0.000 2.339 147 D HA 0.420 5.060 4.640 -0.000 0.000 0.245 147 D C 0.288 176.713 176.300 0.208 0.000 1.115 147 D CA 0.942 55.003 54.000 0.102 0.000 0.917 147 D CB 1.167 42.008 40.800 0.067 0.000 1.192 147 D HN 0.894 nan 8.370 nan 0.000 0.428 148 G N 1.637 110.547 108.800 0.182 0.000 2.760 148 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.246 148 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.246 148 G C -0.632 174.320 174.900 0.087 0.000 1.359 148 G CA -0.737 44.492 45.100 0.215 0.000 0.861 148 G HN 0.518 nan 8.290 nan 0.000 0.541 149 D N 1.156 121.408 120.400 -0.247 0.000 2.608 149 D HA 0.447 5.087 4.640 -0.000 0.000 0.224 149 D C -0.211 175.660 176.300 -0.714 0.000 1.123 149 D CA 1.003 54.770 54.000 -0.388 0.000 1.030 149 D CB -0.315 40.273 40.800 -0.353 0.000 1.093 149 D HN 0.334 nan 8.370 nan 0.000 0.497 150 Y N -0.204 120.137 120.300 0.068 0.000 2.615 150 Y HA 0.422 4.972 4.550 -0.000 0.000 0.341 150 Y C -0.588 175.425 175.900 0.188 0.000 1.089 150 Y CA -1.505 56.653 58.100 0.096 0.000 1.049 150 Y CB 1.494 39.980 38.460 0.044 0.000 1.296 150 Y HN -0.060 nan 8.280 nan 0.000 0.470 151 F N 1.815 121.880 119.950 0.192 0.000 2.430 151 F HA 0.634 5.161 4.527 -0.000 0.000 0.362 151 F C -0.763 175.130 175.800 0.155 0.000 1.103 151 F CA -1.019 57.076 58.000 0.158 0.000 1.045 151 F CB 0.944 40.037 39.000 0.154 0.000 1.276 151 F HN 0.281 nan 8.300 nan 0.000 0.444 152 S N 6.222 121.885 115.700 -0.061 0.000 2.475 152 S HA 0.801 5.271 4.470 -0.000 0.000 0.298 152 S C -1.236 173.188 174.600 -0.293 0.000 1.119 152 S CA -0.203 57.830 58.200 -0.278 0.000 1.085 152 S CB 0.624 63.744 63.200 -0.133 0.000 1.028 152 S HN 0.649 nan 8.310 nan 0.000 0.489 153 Y N 0.005 120.055 120.300 -0.415 0.000 2.670 153 Y HA 0.774 5.324 4.550 -0.000 0.000 0.334 153 Y C -0.630 175.136 175.900 -0.223 0.000 1.185 153 Y CA -1.165 56.740 58.100 -0.325 0.000 1.053 153 Y CB 0.726 38.920 38.460 -0.443 0.000 1.298 153 Y HN 0.525 nan 8.280 nan 0.000 0.459 154 T N -0.428 114.159 114.554 0.056 0.000 2.893 154 T HA 0.723 5.073 4.350 -0.000 0.000 0.291 154 T C -0.956 173.741 174.700 -0.005 0.000 1.028 154 T CA -1.098 60.987 62.100 -0.026 0.000 0.995 154 T CB 2.003 70.834 68.868 -0.062 0.000 1.051 154 T HN 0.786 nan 8.240 nan 0.000 0.470 155 R N 0.996 121.513 120.500 0.029 0.000 2.387 155 R HA 0.346 4.686 4.340 -0.000 0.000 0.314 155 R C -0.624 175.750 176.300 0.124 0.000 0.958 155 R CA -0.688 55.439 56.100 0.044 0.000 0.846 155 R CB 1.188 31.544 30.300 0.093 0.000 1.147 155 R HN 0.744 nan 8.270 nan 0.000 0.447 156 H N 2.252 121.337 119.070 0.025 0.000 2.787 156 H HA 0.142 4.698 4.556 -0.000 0.000 0.275 156 H C -0.363 175.010 175.328 0.075 0.000 1.183 156 H CA -0.407 55.665 56.048 0.041 0.000 1.290 156 H CB 0.933 30.695 29.762 -0.000 0.000 1.438 156 H HN 0.404 nan 8.280 nan 0.000 0.487 157 E N 3.902 124.220 120.200 0.196 0.000 2.232 157 E HA 0.266 4.616 4.350 -0.000 0.000 0.264 157 E C -2.489 174.226 176.600 0.192 0.000 0.973 157 E CA -2.411 54.086 56.400 0.161 0.000 0.849 157 E CB 1.152 30.932 29.700 0.134 0.000 1.198 157 E HN 0.364 nan 8.360 nan 0.000 0.407 158 P HA -0.047 nan 4.420 nan 0.000 0.272 158 P C 0.492 177.934 177.300 0.236 0.000 1.223 158 P CA -0.058 63.222 63.100 0.299 0.000 0.784 158 P CB 0.632 32.654 31.700 0.537 0.000 0.923 159 V N 0.998 120.972 119.914 0.099 0.000 2.515 159 V HA 0.044 4.164 4.120 -0.000 0.000 0.250 159 V C 1.415 177.444 176.094 -0.109 0.000 1.058 159 V CA 2.471 64.775 62.300 0.006 0.000 1.064 159 V CB -1.385 30.411 31.823 -0.046 0.000 0.675 159 V HN 1.044 nan 8.190 nan 0.000 0.461 160 G N -0.875 107.686 108.800 -0.399 0.000 2.253 160 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.190 160 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.190 160 G C -0.600 173.830 174.900 -0.783 0.000 1.274 160 G CA -0.282 44.246 45.100 -0.953 0.000 1.275 160 G HN 0.162 nan 8.290 nan 0.000 0.518 161 V N 1.097 120.747 119.914 -0.441 0.000 2.427 161 V HA 0.409 4.529 4.120 -0.000 0.000 0.268 161 V C 0.435 176.442 176.094 -0.145 0.000 1.046 161 V CA -0.201 61.951 62.300 -0.247 0.000 0.970 161 V CB 0.339 32.069 31.823 -0.155 0.000 1.001 161 V HN 0.818 nan 8.190 nan 0.000 0.476 162 C N 4.852 124.101 119.300 -0.085 0.000 2.281 162 C HA 0.704 5.164 4.460 -0.000 0.000 0.325 162 C C 1.028 176.019 174.990 0.001 0.000 1.282 162 C CA -0.888 58.127 59.018 -0.005 0.000 1.640 162 C CB 0.266 28.081 27.740 0.126 0.000 2.288 162 C HN 1.012 nan 8.230 nan 0.000 0.507 163 G N 2.962 111.763 108.800 0.003 0.000 2.325 163 G HA2 0.552 4.512 3.960 -0.000 0.000 0.298 163 G HA3 0.552 4.512 3.960 -0.000 0.000 0.298 163 G C -0.874 174.058 174.900 0.054 0.000 1.134 163 G CA -0.171 44.937 45.100 0.013 0.000 0.876 163 G HN 0.811 nan 8.290 nan 0.000 0.452 164 Q N 1.778 121.610 119.800 0.053 0.000 2.290 164 Q HA 0.397 4.737 4.340 -0.000 0.000 0.269 164 Q C -0.765 175.266 176.000 0.052 0.000 1.016 164 Q CA -0.420 55.425 55.803 0.069 0.000 0.754 164 Q CB 2.656 31.429 28.738 0.059 0.000 1.247 164 Q HN 0.525 nan 8.270 nan 0.000 0.451 165 I N 4.733 125.346 120.570 0.072 0.000 2.354 165 I HA 0.501 4.671 4.170 -0.000 0.000 0.292 165 I C -0.025 176.024 176.117 -0.114 0.000 0.989 165 I CA -0.910 60.416 61.300 0.044 0.000 1.188 165 I CB 0.920 39.044 38.000 0.206 0.000 1.342 165 I HN 0.548 nan 8.210 nan 0.000 0.457 166 I N 5.185 125.687 120.570 -0.113 0.000 2.846 166 I HA 0.741 4.911 4.170 -0.000 0.000 0.307 166 I C -2.685 173.327 176.117 -0.175 0.000 1.053 166 I CA -2.204 58.989 61.300 -0.178 0.000 1.050 166 I CB 2.256 40.186 38.000 -0.117 0.000 1.239 166 I HN 0.248 nan 8.210 nan 0.000 0.439 167 P HA 0.172 nan 4.420 nan 0.000 0.306 167 P C -0.208 176.999 177.300 -0.155 0.000 1.309 167 P CA -0.140 62.795 63.100 -0.274 0.000 0.759 167 P CB 0.660 32.080 31.700 -0.467 0.000 1.314 168 W N 0.100 121.386 121.300 -0.023 0.000 3.177 168 W HA 0.081 4.741 4.660 -0.000 0.000 0.309 168 W C 0.894 177.392 176.519 -0.035 0.000 1.224 168 W CA 0.132 57.461 57.345 -0.026 0.000 1.718 168 W CB -1.497 27.948 29.460 -0.024 0.000 1.078 168 W HN 0.209 nan 8.180 nan 0.000 0.618 169 N N 2.054 120.576 118.700 -0.296 0.000 2.216 169 N HA -0.166 4.574 4.740 -0.000 0.000 0.183 169 N C -0.192 175.101 175.510 -0.361 0.000 1.017 169 N CA 0.855 53.769 53.050 -0.227 0.000 0.861 169 N CB -1.067 37.229 38.487 -0.317 0.000 0.986 169 N HN 0.051 nan 8.380 nan 0.000 0.428 170 F N -0.025 119.795 119.950 -0.218 0.000 2.769 170 F HA 0.447 4.974 4.527 -0.000 0.000 0.358 170 F C -1.803 173.866 175.800 -0.218 0.000 1.285 170 F CA -2.239 55.621 58.000 -0.234 0.000 1.199 170 F CB 2.080 40.864 39.000 -0.361 0.000 1.558 170 F HN -0.165 nan 8.300 nan 0.000 0.583 171 P HA -0.215 nan 4.420 nan 0.000 0.211 171 P C 1.988 179.264 177.300 -0.039 0.000 1.181 171 P CA 1.687 64.776 63.100 -0.018 0.000 0.929 171 P CB 0.374 32.075 31.700 0.002 0.000 0.789 172 L N -1.973 119.232 121.223 -0.029 0.000 2.079 172 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 172 L C 2.479 179.312 176.870 -0.063 0.000 1.081 172 L CA 1.055 55.879 54.840 -0.027 0.000 0.752 172 L CB -0.875 41.180 42.059 -0.008 0.000 0.896 172 L HN 0.001 nan 8.230 nan 0.000 0.433 173 L N -1.184 119.975 121.223 -0.107 0.000 2.109 173 L HA -0.145 4.194 4.340 -0.000 0.000 0.207 173 L C 2.424 179.014 176.870 -0.466 0.000 1.086 173 L CA 1.532 56.213 54.840 -0.265 0.000 0.760 173 L CB -0.274 41.574 42.059 -0.352 0.000 0.910 173 L HN 0.142 nan 8.230 nan 0.000 0.437 174 M N -0.748 118.611 119.600 -0.402 0.000 2.159 174 M HA -0.213 4.267 4.480 -0.000 0.000 0.263 174 M C 2.235 178.444 176.300 -0.151 0.000 1.063 174 M CA 1.574 56.656 55.300 -0.363 0.000 1.110 174 M CB -1.194 31.247 32.600 -0.266 0.000 1.374 174 M HN 0.510 nan 8.290 nan 0.000 0.411 175 Q N -0.095 119.640 119.800 -0.109 0.000 2.050 175 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 175 Q C 2.010 177.990 176.000 -0.035 0.000 0.980 175 Q CA 1.996 57.763 55.803 -0.060 0.000 0.840 175 Q CB -0.058 28.649 28.738 -0.050 0.000 0.898 175 Q HN 0.451 nan 8.270 nan 0.000 0.424 176 A N 0.067 122.878 122.820 -0.015 0.000 1.933 176 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 176 A C 1.581 179.251 177.584 0.144 0.000 1.175 176 A CA 1.307 53.378 52.037 0.057 0.000 0.628 176 A CB -1.116 17.941 19.000 0.095 0.000 0.814 176 A HN 0.654 nan 8.150 nan 0.000 0.444 177 W N 0.472 121.703 121.300 -0.114 0.000 2.374 177 W HA -0.053 4.607 4.660 -0.000 0.000 0.288 177 W C 2.094 178.488 176.519 -0.209 0.000 1.218 177 W CA 1.325 58.582 57.345 -0.146 0.000 1.245 177 W CB -0.251 29.124 29.460 -0.141 0.000 1.126 177 W HN 0.249 nan 8.180 nan 0.000 0.545 178 K N -0.174 120.255 120.400 0.049 0.000 2.067 178 K HA 0.052 4.372 4.320 -0.000 0.000 0.203 178 K C 2.068 178.541 176.600 -0.211 0.000 1.048 178 K CA 0.818 57.068 56.287 -0.061 0.000 0.954 178 K CB -1.092 31.404 32.500 -0.007 0.000 0.737 178 K HN 0.214 nan 8.250 nan 0.000 0.444 179 L N 0.599 121.729 121.223 -0.155 0.000 2.083 179 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 179 L C 2.505 179.249 176.870 -0.211 0.000 1.083 179 L CA 1.355 56.087 54.840 -0.180 0.000 0.752 179 L CB -1.203 40.770 42.059 -0.143 0.000 0.899 179 L HN 0.272 nan 8.230 nan 0.000 0.433 180 G N 1.417 110.076 108.800 -0.235 0.000 2.628 180 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 180 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 180 G C -0.449 174.164 174.900 -0.478 0.000 1.240 180 G CA 1.198 46.121 45.100 -0.294 0.000 0.792 180 G HN 0.317 nan 8.290 nan 0.000 0.593 181 P HA -0.025 nan 4.420 nan 0.000 0.216 181 P C 2.071 179.035 177.300 -0.560 0.000 1.153 181 P CA 2.080 64.762 63.100 -0.696 0.000 0.844 181 P CB -0.186 31.036 31.700 -0.796 0.000 0.787 182 A N 0.550 122.903 122.820 -0.778 0.000 1.858 182 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 182 A C 2.478 180.022 177.584 -0.067 0.000 1.190 182 A CA 1.624 53.335 52.037 -0.543 0.000 0.617 182 A CB -1.624 17.116 19.000 -0.434 0.000 0.827 182 A HN 0.132 nan 8.150 nan 0.000 0.443 183 L N -1.031 120.200 121.223 0.013 0.000 2.156 183 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 183 L C 3.017 180.090 176.870 0.338 0.000 1.095 183 L CA 0.796 55.828 54.840 0.319 0.000 0.770 183 L CB -0.518 41.711 42.059 0.283 0.000 0.914 183 L HN 0.429 nan 8.230 nan 0.000 0.439 184 A N 0.287 123.215 122.820 0.180 0.000 1.972 184 A HA -0.178 4.141 4.320 -0.000 0.000 0.219 184 A C 2.294 179.948 177.584 0.117 0.000 1.169 184 A CA 2.070 54.215 52.037 0.180 0.000 0.635 184 A CB -0.804 18.342 19.000 0.242 0.000 0.810 184 A HN 0.502 nan 8.150 nan 0.000 0.446 185 T N -4.361 110.246 114.554 0.089 0.000 3.129 185 T HA 0.399 4.749 4.350 -0.000 0.000 0.251 185 T C 1.291 176.049 174.700 0.096 0.000 1.117 185 T CA 1.012 63.165 62.100 0.089 0.000 1.034 185 T CB 0.051 68.976 68.868 0.095 0.000 0.968 185 T HN 1.672 nan 8.240 nan 0.000 0.526 186 G N 1.052 109.906 108.800 0.089 0.000 2.132 186 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.234 186 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.234 186 G C -0.156 174.981 174.900 0.395 0.000 0.989 186 G CA -0.178 44.895 45.100 -0.045 0.000 0.676 186 G HN 0.644 nan 8.290 nan 0.000 0.522 187 N N -1.418 117.566 118.700 0.474 0.000 2.413 187 N HA 0.625 5.365 4.740 -0.000 0.000 0.266 187 N C -0.030 175.778 175.510 0.496 0.000 1.238 187 N CA 0.055 53.350 53.050 0.408 0.000 0.972 187 N CB 1.901 40.512 38.487 0.207 0.000 1.210 187 N HN 0.248 nan 8.380 nan 0.000 0.547 188 V N 0.657 120.676 119.914 0.174 0.000 2.769 188 V HA 0.641 4.761 4.120 -0.000 0.000 0.312 188 V C -1.015 175.061 176.094 -0.029 0.000 1.058 188 V CA -0.412 61.931 62.300 0.071 0.000 0.952 188 V CB 1.746 33.619 31.823 0.083 0.000 1.019 188 V HN 0.290 nan 8.190 nan 0.000 0.445 189 V N 4.939 124.807 119.914 -0.076 0.000 2.823 189 V HA 0.607 4.727 4.120 -0.000 0.000 0.312 189 V C -0.818 175.229 176.094 -0.079 0.000 1.072 189 V CA -0.578 61.679 62.300 -0.072 0.000 0.937 189 V CB 2.135 33.903 31.823 -0.092 0.000 1.013 189 V HN 0.619 nan 8.190 nan 0.000 0.430 190 V N 4.605 124.484 119.914 -0.059 0.000 2.439 190 V HA 0.428 4.548 4.120 -0.000 0.000 0.277 190 V C -0.340 175.739 176.094 -0.025 0.000 1.008 190 V CA -0.156 62.110 62.300 -0.056 0.000 0.846 190 V CB 1.305 33.079 31.823 -0.081 0.000 1.031 190 V HN 0.909 nan 8.190 nan 0.000 0.441 191 M N 4.340 123.929 119.600 -0.018 0.000 2.300 191 M HA 0.674 5.154 4.480 -0.000 0.000 0.348 191 M C -0.483 175.829 176.300 0.020 0.000 1.151 191 M CA -0.670 54.630 55.300 -0.001 0.000 1.046 191 M CB 1.462 34.051 32.600 -0.019 0.000 1.647 191 M HN 0.460 nan 8.290 nan 0.000 0.451 192 K N 5.218 125.637 120.400 0.031 0.000 2.367 192 K HA 0.490 4.810 4.320 -0.000 0.000 0.263 192 K C -1.589 175.030 176.600 0.032 0.000 1.000 192 K CA -0.724 55.590 56.287 0.044 0.000 0.891 192 K CB 0.780 33.316 32.500 0.061 0.000 1.117 192 K HN 0.502 nan 8.250 nan 0.000 0.443 193 V N 1.673 121.610 119.914 0.038 0.000 2.644 193 V HA 0.758 4.877 4.120 -0.000 0.000 0.295 193 V C 0.361 176.471 176.094 0.027 0.000 1.053 193 V CA -0.990 61.330 62.300 0.033 0.000 0.987 193 V CB 1.069 32.925 31.823 0.055 0.000 1.006 193 V HN 0.830 nan 8.190 nan 0.000 0.472 194 A N 3.684 126.527 122.820 0.038 0.000 2.548 194 A HA 0.205 4.525 4.320 -0.000 0.000 0.247 194 A C 1.420 179.009 177.584 0.008 0.000 1.067 194 A CA 0.382 52.456 52.037 0.061 0.000 0.757 194 A CB -0.064 19.042 19.000 0.176 0.000 0.996 194 A HN 1.150 nan 8.150 nan 0.000 0.504 195 E N 2.708 122.820 120.200 -0.148 0.000 2.219 195 E HA -0.300 4.050 4.350 -0.000 0.000 0.198 195 E C 0.987 177.516 176.600 -0.119 0.000 0.998 195 E CA 1.898 58.061 56.400 -0.396 0.000 0.818 195 E CB -0.253 28.888 29.700 -0.933 0.000 0.741 195 E HN 0.856 nan 8.360 nan 0.000 0.477 196 Q N 0.125 119.894 119.800 -0.052 0.000 2.311 196 Q HA 0.060 4.400 4.340 -0.000 0.000 0.203 196 Q C 0.511 176.506 176.000 -0.008 0.000 0.954 196 Q CA 1.389 57.143 55.803 -0.081 0.000 0.885 196 Q CB 0.543 29.107 28.738 -0.290 0.000 0.963 196 Q HN 0.186 nan 8.270 nan 0.000 0.471 197 T N 0.269 114.862 114.554 0.065 0.000 3.477 197 T HA 0.200 4.550 4.350 -0.000 0.000 0.277 197 T C -2.554 172.193 174.700 0.078 0.000 1.090 197 T CA -1.239 60.901 62.100 0.067 0.000 1.635 197 T CB 0.575 69.494 68.868 0.086 0.000 0.817 197 T HN -0.030 nan 8.240 nan 0.000 0.609 198 P HA 0.164 nan 4.420 nan 0.000 0.238 198 P C 1.819 179.170 177.300 0.084 0.000 1.183 198 P CA 0.006 63.169 63.100 0.105 0.000 0.813 198 P CB 0.383 32.185 31.700 0.171 0.000 0.944 199 L N 0.685 121.941 121.223 0.055 0.000 1.991 199 L HA -0.222 4.118 4.340 -0.000 0.000 0.221 199 L C 2.781 179.699 176.870 0.081 0.000 1.079 199 L CA 3.108 57.979 54.840 0.052 0.000 0.778 199 L CB -2.243 39.823 42.059 0.012 0.000 0.893 199 L HN 0.147 nan 8.230 nan 0.000 0.437 200 T N -2.387 112.194 114.554 0.044 0.000 2.821 200 T HA -0.104 4.245 4.350 -0.000 0.000 0.267 200 T C 1.961 176.722 174.700 0.102 0.000 1.046 200 T CA 0.964 63.097 62.100 0.054 0.000 1.139 200 T CB -0.469 68.397 68.868 -0.002 0.000 0.871 200 T HN 0.354 nan 8.240 nan 0.000 0.454 201 A N 1.874 124.738 122.820 0.073 0.000 1.908 201 A HA 0.102 4.422 4.320 -0.000 0.000 0.218 201 A C 2.460 180.087 177.584 0.072 0.000 1.181 201 A CA 1.461 53.529 52.037 0.053 0.000 0.627 201 A CB -0.961 18.063 19.000 0.041 0.000 0.818 201 A HN 0.558 nan 8.150 nan 0.000 0.445 202 L N -2.425 118.884 121.223 0.144 0.000 2.046 202 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 202 L C 2.591 179.568 176.870 0.178 0.000 1.077 202 L CA 1.787 56.775 54.840 0.247 0.000 0.747 202 L CB -0.684 41.530 42.059 0.259 0.000 0.896 202 L HN 0.566 nan 8.230 nan 0.000 0.432 203 Y N 0.346 120.672 120.300 0.042 0.000 2.181 203 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 203 Y C 2.426 178.272 175.900 -0.091 0.000 1.146 203 Y CA 1.528 59.621 58.100 -0.012 0.000 1.164 203 Y CB -0.135 38.437 38.460 0.187 0.000 0.982 203 Y HN -0.169 nan 8.280 nan 0.000 0.515 204 V N 0.290 120.240 119.914 0.060 0.000 2.490 204 V HA -0.323 3.797 4.120 -0.000 0.000 0.250 204 V C 2.616 178.555 176.094 -0.260 0.000 1.061 204 V CA 1.534 63.800 62.300 -0.056 0.000 1.064 204 V CB -1.522 30.299 31.823 -0.003 0.000 0.670 204 V HN 0.570 nan 8.190 nan 0.000 0.461 205 A N 0.478 123.096 122.820 -0.336 0.000 1.908 205 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 205 A C 2.075 179.025 177.584 -1.057 0.000 1.181 205 A CA 2.509 54.094 52.037 -0.754 0.000 0.627 205 A CB -0.819 17.697 19.000 -0.806 0.000 0.818 205 A HN 0.608 nan 8.150 nan 0.000 0.445 206 N N -0.332 117.963 118.700 -0.676 0.000 2.270 206 N HA -0.010 4.730 4.740 -0.000 0.000 0.181 206 N C 1.522 176.810 175.510 -0.370 0.000 1.016 206 N CA 0.998 53.742 53.050 -0.511 0.000 0.870 206 N CB -0.292 37.755 38.487 -0.733 0.000 0.979 206 N HN 0.478 nan 8.380 nan 0.000 0.431 207 L N -0.009 120.984 121.223 -0.384 0.000 2.201 207 L HA -0.095 4.245 4.340 -0.000 0.000 0.212 207 L C 1.898 178.724 176.870 -0.074 0.000 1.105 207 L CA 0.685 55.409 54.840 -0.194 0.000 0.775 207 L CB -0.391 41.592 42.059 -0.126 0.000 0.913 207 L HN 0.264 nan 8.230 nan 0.000 0.440 208 I N 0.181 120.665 120.570 -0.143 0.000 2.226 208 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 208 I C 2.753 178.950 176.117 0.133 0.000 1.100 208 I CA 1.387 62.665 61.300 -0.037 0.000 1.374 208 I CB -0.271 37.546 38.000 -0.306 0.000 1.057 208 I HN 0.256 nan 8.210 nan 0.000 0.413 209 K N 1.301 121.733 120.400 0.052 0.000 2.002 209 K HA -0.281 4.039 4.320 -0.000 0.000 0.209 209 K C 2.114 178.774 176.600 0.101 0.000 1.048 209 K CA 2.023 58.395 56.287 0.141 0.000 0.930 209 K CB -0.183 32.438 32.500 0.202 0.000 0.714 209 K HN 0.275 nan 8.250 nan 0.000 0.438 210 E N -0.045 120.188 120.200 0.055 0.000 2.160 210 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 210 E C 1.663 178.298 176.600 0.059 0.000 0.991 210 E CA 1.093 57.521 56.400 0.047 0.000 0.810 210 E CB -0.163 29.546 29.700 0.015 0.000 0.742 210 E HN 0.465 nan 8.360 nan 0.000 0.466 211 A N 0.074 122.950 122.820 0.094 0.000 2.070 211 A HA 0.051 4.371 4.320 -0.000 0.000 0.220 211 A C 1.900 179.488 177.584 0.007 0.000 1.159 211 A CA 1.417 53.505 52.037 0.085 0.000 0.656 211 A CB -0.549 18.572 19.000 0.202 0.000 0.800 211 A HN 0.586 nan 8.150 nan 0.000 0.453 212 G N -3.011 105.811 108.800 0.038 0.000 2.143 212 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.175 212 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.175 212 G C -0.073 174.798 174.900 -0.047 0.000 1.004 212 G CA -0.226 44.865 45.100 -0.015 0.000 0.671 212 G HN 0.256 nan 8.290 nan 0.000 0.512 213 F N 1.605 121.540 119.950 -0.026 0.000 2.538 213 F HA 0.417 4.944 4.527 -0.000 0.000 0.371 213 F C -1.234 174.498 175.800 -0.113 0.000 1.087 213 F CA -1.446 56.496 58.000 -0.096 0.000 1.250 213 F CB 0.676 39.575 39.000 -0.169 0.000 1.110 213 F HN -0.093 nan 8.300 nan 0.000 0.570 214 P HA 0.061 nan 4.420 nan 0.000 0.266 214 P C -2.547 174.718 177.300 -0.057 0.000 1.195 214 P CA -0.838 62.267 63.100 0.008 0.000 0.768 214 P CB 0.114 31.848 31.700 0.057 0.000 0.838 215 P HA 0.052 nan 4.420 nan 0.000 0.265 215 P C 1.020 178.238 177.300 -0.136 0.000 1.193 215 P CA 1.398 64.424 63.100 -0.123 0.000 0.765 215 P CB 0.167 31.798 31.700 -0.115 0.000 0.823 216 G N 1.355 110.044 108.800 -0.185 0.000 2.258 216 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.233 216 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.233 216 G C 1.062 175.860 174.900 -0.169 0.000 1.006 216 G CA 0.211 45.217 45.100 -0.157 0.000 0.620 216 G HN 0.385 nan 8.290 nan 0.000 0.511 217 V N 0.135 119.898 119.914 -0.251 0.000 2.343 217 V HA 0.075 4.195 4.120 -0.000 0.000 0.247 217 V C 1.386 177.287 176.094 -0.322 0.000 1.051 217 V CA 2.050 64.104 62.300 -0.410 0.000 1.036 217 V CB -0.011 31.337 31.823 -0.791 0.000 0.654 217 V HN 0.476 nan 8.190 nan 0.000 0.451 218 V N 1.465 121.218 119.914 -0.268 0.000 2.525 218 V HA 0.475 4.595 4.120 -0.000 0.000 0.299 218 V C -0.982 175.069 176.094 -0.071 0.000 1.034 218 V CA -0.815 61.361 62.300 -0.207 0.000 0.863 218 V CB 1.816 33.452 31.823 -0.311 0.000 0.999 218 V HN 0.412 nan 8.190 nan 0.000 0.423 219 N N 3.548 122.211 118.700 -0.063 0.000 2.399 219 N HA 0.545 5.285 4.740 -0.000 0.000 0.280 219 N C -0.988 174.529 175.510 0.012 0.000 1.008 219 N CA -0.344 52.694 53.050 -0.020 0.000 0.894 219 N CB 2.714 41.145 38.487 -0.092 0.000 1.273 219 N HN 0.382 nan 8.380 nan 0.000 0.486 220 V N 3.218 123.179 119.914 0.078 0.000 2.398 220 V HA 0.511 4.631 4.120 -0.000 0.000 0.286 220 V C 0.304 176.462 176.094 0.107 0.000 1.026 220 V CA -0.593 61.743 62.300 0.060 0.000 0.868 220 V CB 1.241 33.082 31.823 0.030 0.000 0.982 220 V HN 0.517 nan 8.190 nan 0.000 0.443 221 I N 7.445 128.070 120.570 0.092 0.000 2.420 221 I HA 0.376 4.546 4.170 -0.000 0.000 0.282 221 I C -2.446 173.750 176.117 0.133 0.000 1.019 221 I CA -1.848 59.523 61.300 0.117 0.000 1.130 221 I CB 2.632 40.682 38.000 0.083 0.000 1.262 221 I HN 0.424 nan 8.210 nan 0.000 0.454 222 P HA 0.456 nan 4.420 nan 0.000 0.284 222 P C -0.150 177.294 177.300 0.240 0.000 1.253 222 P CA 0.189 63.428 63.100 0.233 0.000 0.800 222 P CB 2.188 34.063 31.700 0.292 0.000 0.961 223 G N 1.310 110.110 108.800 0.001 0.000 2.336 223 G HA2 0.372 4.332 3.960 -0.000 0.000 0.286 223 G HA3 0.372 4.332 3.960 -0.000 0.000 0.286 223 G C -1.811 172.696 174.900 -0.656 0.000 1.269 223 G CA -0.712 44.217 45.100 -0.284 0.000 0.873 223 G HN 0.265 nan 8.290 nan 0.000 0.494 224 F N 0.351 120.184 119.950 -0.195 0.000 2.457 224 F HA 0.605 5.132 4.527 -0.000 0.000 0.330 224 F C 1.726 177.501 175.800 -0.042 0.000 1.069 224 F CA 0.544 58.450 58.000 -0.156 0.000 1.009 224 F CB 1.540 40.443 39.000 -0.161 0.000 1.276 224 F HN 0.687 nan 8.300 nan 0.000 0.492 225 G N 0.911 109.835 108.800 0.206 0.000 2.575 225 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.215 225 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.215 225 G C -0.896 174.077 174.900 0.123 0.000 1.262 225 G CA 0.501 45.692 45.100 0.152 0.000 0.807 225 G HN 0.531 nan 8.290 nan 0.000 0.567 226 P HA -0.086 nan 4.420 nan 0.000 0.229 226 P C 1.407 178.746 177.300 0.065 0.000 1.150 226 P CA 2.017 65.154 63.100 0.063 0.000 0.765 226 P CB -0.164 31.558 31.700 0.036 0.000 0.783 227 T N -2.059 112.552 114.554 0.095 0.000 3.401 227 T HA 0.303 4.652 4.350 -0.000 0.000 0.225 227 T C 2.133 176.893 174.700 0.099 0.000 0.961 227 T CA 0.672 62.830 62.100 0.098 0.000 1.429 227 T CB -1.111 67.836 68.868 0.132 0.000 1.213 227 T HN -0.053 nan 8.240 nan 0.000 0.440 228 A N 1.618 124.504 122.820 0.111 0.000 1.897 228 A HA 0.315 4.635 4.320 -0.000 0.000 0.215 228 A C 2.601 180.240 177.584 0.092 0.000 1.181 228 A CA 1.695 53.791 52.037 0.098 0.000 0.620 228 A CB -1.681 17.374 19.000 0.091 0.000 0.821 228 A HN 0.660 nan 8.150 nan 0.000 0.443 229 G N -0.256 108.603 108.800 0.098 0.000 2.459 229 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.217 229 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.217 229 G C 1.755 176.710 174.900 0.090 0.000 1.183 229 G CA 1.516 46.682 45.100 0.109 0.000 0.776 229 G HN 0.813 nan 8.290 nan 0.000 0.552 230 A N 0.957 123.821 122.820 0.074 0.000 1.969 230 A HA 0.334 4.654 4.320 -0.000 0.000 0.218 230 A C 2.752 180.372 177.584 0.060 0.000 1.169 230 A CA 2.021 54.087 52.037 0.048 0.000 0.635 230 A CB -0.609 18.412 19.000 0.035 0.000 0.810 230 A HN 0.804 nan 8.150 nan 0.000 0.445 231 A N -0.116 122.752 122.820 0.079 0.000 1.972 231 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 231 A C 2.050 179.726 177.584 0.154 0.000 1.169 231 A CA 1.463 53.565 52.037 0.107 0.000 0.635 231 A CB -0.491 18.579 19.000 0.117 0.000 0.810 231 A HN 0.523 nan 8.150 nan 0.000 0.446 232 I N -0.743 119.895 120.570 0.113 0.000 2.277 232 I HA -0.144 4.026 4.170 -0.000 0.000 0.243 232 I C 2.950 179.124 176.117 0.094 0.000 1.094 232 I CA 0.800 62.157 61.300 0.095 0.000 1.393 232 I CB -0.415 37.619 38.000 0.056 0.000 1.078 232 I HN 0.317 nan 8.210 nan 0.000 0.417 233 A N 0.881 123.742 122.820 0.067 0.000 1.917 233 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 233 A C 2.185 179.790 177.584 0.034 0.000 1.182 233 A CA 2.324 54.381 52.037 0.034 0.000 0.633 233 A CB -0.692 18.306 19.000 -0.003 0.000 0.819 233 A HN 0.525 nan 8.150 nan 0.000 0.448 234 S N -1.533 114.194 115.700 0.045 0.000 2.583 234 S HA 0.171 4.641 4.470 -0.000 0.000 0.239 234 S C 0.311 174.931 174.600 0.034 0.000 0.966 234 S CA -0.565 57.650 58.200 0.026 0.000 0.973 234 S CB -0.454 62.747 63.200 0.002 0.000 0.794 234 S HN 0.557 nan 8.310 nan 0.000 0.463 235 H N 2.386 121.455 119.070 -0.001 0.000 2.803 235 H HA 0.200 4.756 4.556 -0.000 0.000 0.330 235 H C 0.551 175.878 175.328 -0.003 0.000 1.057 235 H CA 0.324 56.373 56.048 0.001 0.000 1.458 235 H CB 0.844 30.608 29.762 0.003 0.000 1.470 235 H HN 0.301 nan 8.280 nan 0.000 0.560 236 E N 3.079 123.224 120.200 -0.093 0.000 2.511 236 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 236 E C 0.274 176.943 176.600 0.114 0.000 1.066 236 E CA 0.650 57.050 56.400 -0.001 0.000 0.871 236 E CB 0.262 29.922 29.700 -0.066 0.000 0.863 236 E HN 0.598 nan 8.360 nan 0.000 0.520 237 D N -0.822 119.779 120.400 0.336 0.000 2.527 237 D HA 0.053 4.693 4.640 -0.000 0.000 0.224 237 D C -0.734 175.625 176.300 0.099 0.000 1.217 237 D CA 0.022 54.153 54.000 0.220 0.000 0.819 237 D CB 0.924 41.859 40.800 0.226 0.000 1.061 237 D HN -0.205 nan 8.370 nan 0.000 0.515 238 V N 1.820 121.793 119.914 0.098 0.000 2.406 238 V HA 0.142 4.262 4.120 -0.000 0.000 0.272 238 V C 0.861 176.951 176.094 -0.006 0.000 1.043 238 V CA -0.236 62.059 62.300 -0.009 0.000 0.915 238 V CB 1.613 33.434 31.823 -0.004 0.000 0.988 238 V HN 0.117 nan 8.190 nan 0.000 0.466 239 D N 3.018 123.391 120.400 -0.045 0.000 2.194 239 D HA 0.014 4.654 4.640 -0.000 0.000 0.204 239 D C 0.844 177.110 176.300 -0.058 0.000 0.964 239 D CA 1.038 55.009 54.000 -0.049 0.000 0.846 239 D CB 0.614 41.368 40.800 -0.077 0.000 0.962 239 D HN 0.385 nan 8.370 nan 0.000 0.490 240 K N 0.641 121.000 120.400 -0.069 0.000 2.527 240 K HA 0.360 4.680 4.320 -0.000 0.000 0.260 240 K C -1.813 174.752 176.600 -0.059 0.000 0.937 240 K CA -0.509 55.725 56.287 -0.088 0.000 0.826 240 K CB 2.742 35.148 32.500 -0.156 0.000 1.359 240 K HN -0.279 nan 8.250 nan 0.000 0.434 241 V N 1.418 121.302 119.914 -0.049 0.000 2.588 241 V HA 0.683 4.803 4.120 -0.000 0.000 0.304 241 V C -0.580 175.524 176.094 0.015 0.000 1.042 241 V CA -1.041 61.261 62.300 0.004 0.000 0.877 241 V CB 1.468 33.305 31.823 0.023 0.000 0.996 241 V HN 0.837 nan 8.190 nan 0.000 0.425 242 A N 4.604 127.468 122.820 0.073 0.000 2.291 242 A HA 0.847 5.167 4.320 -0.000 0.000 0.311 242 A C -1.255 176.436 177.584 0.179 0.000 1.224 242 A CA -0.353 51.748 52.037 0.106 0.000 0.821 242 A CB 0.701 19.795 19.000 0.157 0.000 1.172 242 A HN 0.823 nan 8.150 nan 0.000 0.494 243 F N 2.183 122.146 119.950 0.021 0.000 2.520 243 F HA 0.716 5.243 4.527 -0.000 0.000 0.322 243 F C -0.266 175.551 175.800 0.027 0.000 1.103 243 F CA 0.004 58.016 58.000 0.019 0.000 0.926 243 F CB 2.332 41.336 39.000 0.005 0.000 1.154 243 F HN 0.397 nan 8.300 nan 0.000 0.453 244 T N 4.470 118.531 114.554 -0.822 0.000 2.949 244 T HA 0.739 5.089 4.350 -0.000 0.000 0.300 244 T C -0.215 173.893 174.700 -0.987 0.000 0.988 244 T CA -0.317 61.430 62.100 -0.588 0.000 0.993 244 T CB 1.127 69.838 68.868 -0.262 0.000 0.984 244 T HN 1.092 nan 8.240 nan 0.000 0.442 245 G N 2.008 110.401 108.800 -0.679 0.000 2.498 245 G HA2 0.488 4.448 3.960 -0.000 0.000 0.181 245 G HA3 0.488 4.448 3.960 -0.000 0.000 0.181 245 G C -0.686 174.200 174.900 -0.023 0.000 1.169 245 G CA -0.219 44.631 45.100 -0.418 0.000 0.992 245 G HN 0.910 nan 8.290 nan 0.000 0.490 246 S N -0.462 115.325 115.700 0.144 0.000 2.601 246 S HA 0.484 4.954 4.470 -0.000 0.000 0.271 246 S C 1.173 175.911 174.600 0.231 0.000 1.305 246 S CA 0.891 59.170 58.200 0.131 0.000 1.022 246 S CB 1.469 64.729 63.200 0.100 0.000 0.940 246 S HN 0.686 nan 8.310 nan 0.000 0.525 247 T N 1.091 115.760 114.554 0.192 0.000 2.833 247 T HA -0.104 4.246 4.350 -0.000 0.000 0.269 247 T C 1.614 176.428 174.700 0.189 0.000 1.054 247 T CA 1.579 63.786 62.100 0.178 0.000 1.135 247 T CB -0.445 68.582 68.868 0.264 0.000 0.869 247 T HN 0.835 nan 8.240 nan 0.000 0.466 248 E N 0.560 120.890 120.200 0.216 0.000 2.038 248 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 248 E C 2.072 178.762 176.600 0.150 0.000 1.000 248 E CA 1.315 57.842 56.400 0.212 0.000 0.803 248 E CB -0.042 29.738 29.700 0.133 0.000 0.750 248 E HN 0.292 nan 8.360 nan 0.000 0.448 249 V N 0.489 120.456 119.914 0.088 0.000 2.809 249 V HA -0.094 4.026 4.120 -0.000 0.000 0.256 249 V C 2.316 178.222 176.094 -0.314 0.000 1.080 249 V CA 1.381 63.648 62.300 -0.056 0.000 1.102 249 V CB -0.560 31.288 31.823 0.042 0.000 0.705 249 V HN 0.442 nan 8.190 nan 0.000 0.475 250 G N -0.453 108.216 108.800 -0.217 0.000 2.446 250 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 250 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 250 G C 1.387 176.125 174.900 -0.270 0.000 1.168 250 G CA 0.964 45.873 45.100 -0.319 0.000 0.771 250 G HN 0.556 nan 8.290 nan 0.000 0.551 251 H N 0.587 119.594 119.070 -0.106 0.000 2.319 251 H HA -0.042 4.514 4.556 -0.000 0.000 0.299 251 H C 2.777 178.039 175.328 -0.110 0.000 1.092 251 H CA 1.389 57.388 56.048 -0.081 0.000 1.302 251 H CB -0.351 29.382 29.762 -0.048 0.000 1.373 251 H HN 0.267 nan 8.280 nan 0.000 0.497 252 L N 0.380 121.601 121.223 -0.003 0.000 2.012 252 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 252 L C 2.681 179.478 176.870 -0.122 0.000 1.073 252 L CA 0.848 55.651 54.840 -0.062 0.000 0.748 252 L CB -0.481 41.533 42.059 -0.075 0.000 0.891 252 L HN 0.207 nan 8.230 nan 0.000 0.431 253 I N -0.039 120.384 120.570 -0.245 0.000 2.163 253 I HA -0.329 3.841 4.170 -0.000 0.000 0.243 253 I C 2.627 178.660 176.117 -0.139 0.000 1.085 253 I CA 1.716 62.866 61.300 -0.249 0.000 1.347 253 I CB -1.026 36.696 38.000 -0.464 0.000 1.044 253 I HN 0.452 nan 8.210 nan 0.000 0.408 254 Q N 0.698 120.421 119.800 -0.128 0.000 2.079 254 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 254 Q C 2.346 178.318 176.000 -0.047 0.000 0.974 254 Q CA 1.669 57.426 55.803 -0.077 0.000 0.840 254 Q CB 0.135 28.829 28.738 -0.074 0.000 0.898 254 Q HN 0.325 nan 8.270 nan 0.000 0.430 255 V N 0.930 120.823 119.914 -0.035 0.000 2.343 255 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 255 V C 2.345 178.423 176.094 -0.026 0.000 1.051 255 V CA 1.764 64.052 62.300 -0.020 0.000 1.036 255 V CB -1.160 30.658 31.823 -0.009 0.000 0.654 255 V HN 0.529 nan 8.190 nan 0.000 0.451 256 A N 0.068 122.866 122.820 -0.036 0.000 1.908 256 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 256 A C 2.437 180.007 177.584 -0.023 0.000 1.181 256 A CA 2.188 54.208 52.037 -0.029 0.000 0.627 256 A CB -0.776 18.203 19.000 -0.034 0.000 0.818 256 A HN 0.578 nan 8.150 nan 0.000 0.445 257 A N -0.541 122.262 122.820 -0.028 0.000 1.877 257 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 257 A C 2.429 180.001 177.584 -0.020 0.000 1.186 257 A CA 1.936 53.960 52.037 -0.022 0.000 0.620 257 A CB -1.391 17.591 19.000 -0.030 0.000 0.822 257 A HN 0.738 nan 8.150 nan 0.000 0.443 258 G N -0.551 108.236 108.800 -0.022 0.000 2.408 258 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 258 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 258 G C 1.607 176.497 174.900 -0.016 0.000 1.150 258 G CA 1.358 46.447 45.100 -0.019 0.000 0.776 258 G HN 0.514 nan 8.290 nan 0.000 0.542 259 K N 0.848 121.238 120.400 -0.017 0.000 2.288 259 K HA 0.026 4.346 4.320 -0.000 0.000 0.201 259 K C 2.175 178.765 176.600 -0.016 0.000 1.048 259 K CA 1.148 57.426 56.287 -0.016 0.000 0.956 259 K CB -0.016 32.474 32.500 -0.016 0.000 0.746 259 K HN 0.486 nan 8.250 nan 0.000 0.461 260 S N -1.161 114.530 115.700 -0.015 0.000 4.089 260 S HA 0.112 4.582 4.470 -0.000 0.000 0.191 260 S C 1.263 175.857 174.600 -0.011 0.000 0.964 260 S CA -0.202 57.989 58.200 -0.015 0.000 1.612 260 S CB -0.550 62.642 63.200 -0.013 0.000 0.736 260 S HN 0.109 nan 8.310 nan 0.000 0.773 261 N N 0.394 119.092 118.700 -0.004 0.000 2.519 261 N HA 0.044 4.784 4.740 -0.000 0.000 0.186 261 N C 0.481 175.989 175.510 -0.003 0.000 1.062 261 N CA 0.485 53.537 53.050 0.002 0.000 0.910 261 N CB -1.018 37.481 38.487 0.019 0.000 0.958 261 N HN 0.591 nan 8.380 nan 0.000 0.445 262 L N -0.656 120.562 121.223 -0.009 0.000 3.865 262 L HA -0.294 4.046 4.340 -0.000 0.000 0.408 262 L C -0.030 176.830 176.870 -0.018 0.000 1.209 262 L CA 0.696 55.527 54.840 -0.014 0.000 0.940 262 L CB -1.395 40.656 42.059 -0.013 0.000 1.971 262 L HN 0.297 nan 8.230 nan 0.000 0.899 263 K N 0.081 120.471 120.400 -0.017 0.000 2.276 263 K HA 0.274 4.594 4.320 -0.000 0.000 0.259 263 K C 0.332 176.908 176.600 -0.039 0.000 1.001 263 K CA -0.506 55.766 56.287 -0.025 0.000 0.927 263 K CB 0.406 32.896 32.500 -0.017 0.000 0.969 263 K HN 0.155 nan 8.250 nan 0.000 0.490 264 R N 0.389 120.856 120.500 -0.056 0.000 2.590 264 R HA 0.200 4.540 4.340 -0.000 0.000 0.274 264 R C -0.411 175.843 176.300 -0.078 0.000 1.061 264 R CA -0.150 55.905 56.100 -0.075 0.000 1.081 264 R CB 0.604 30.841 30.300 -0.104 0.000 0.984 264 R HN 0.426 nan 8.270 nan 0.000 0.448 265 V N 1.689 121.561 119.914 -0.071 0.000 2.823 265 V HA 0.631 4.751 4.120 -0.000 0.000 0.312 265 V C -0.526 175.535 176.094 -0.056 0.000 1.072 265 V CA -0.818 61.448 62.300 -0.056 0.000 0.937 265 V CB 2.368 34.164 31.823 -0.045 0.000 1.013 265 V HN 0.974 nan 8.190 nan 0.000 0.430 266 T N 2.379 116.916 114.554 -0.028 0.000 2.971 266 T HA 0.771 5.121 4.350 -0.000 0.000 0.304 266 T C -1.105 173.633 174.700 0.064 0.000 1.038 266 T CA -0.604 61.491 62.100 -0.008 0.000 1.007 266 T CB 1.397 70.243 68.868 -0.036 0.000 1.055 266 T HN 0.415 nan 8.240 nan 0.000 0.451 267 L N 2.177 123.444 121.223 0.074 0.000 2.385 267 L HA 0.616 4.956 4.340 -0.000 0.000 0.273 267 L C -0.511 176.436 176.870 0.129 0.000 0.990 267 L CA -0.907 54.023 54.840 0.150 0.000 0.821 267 L CB 2.201 44.332 42.059 0.120 0.000 1.279 267 L HN 0.630 nan 8.230 nan 0.000 0.412 268 E N 5.313 125.604 120.200 0.150 0.000 2.207 268 E HA 0.488 4.838 4.350 -0.000 0.000 0.250 268 E C -0.578 176.087 176.600 0.107 0.000 0.890 268 E CA -0.173 56.308 56.400 0.135 0.000 0.749 268 E CB 2.216 32.016 29.700 0.166 0.000 1.193 268 E HN 0.524 nan 8.360 nan 0.000 0.423 269 I N -1.790 118.847 120.570 0.111 0.000 3.869 269 I HA 0.670 4.840 4.170 -0.000 0.000 0.260 269 I C 1.034 177.168 176.117 0.028 0.000 1.160 269 I CA -1.458 59.896 61.300 0.091 0.000 1.248 269 I CB 0.057 38.150 38.000 0.156 0.000 1.393 269 I HN 0.292 nan 8.210 nan 0.000 0.473 270 G N -0.556 108.231 108.800 -0.022 0.000 2.750 270 G HA2 0.463 4.423 3.960 -0.000 0.000 0.250 270 G HA3 0.463 4.423 3.960 -0.000 0.000 0.250 270 G C -0.220 174.358 174.900 -0.536 0.000 1.230 270 G CA 0.342 45.301 45.100 -0.234 0.000 0.883 270 G HN 1.128 nan 8.290 nan 0.000 0.573 271 G N -1.553 106.777 108.800 -0.783 0.000 2.649 271 G HA2 0.524 4.484 3.960 -0.000 0.000 0.290 271 G HA3 0.524 4.484 3.960 -0.000 0.000 0.290 271 G C -1.091 173.504 174.900 -0.510 0.000 1.426 271 G CA -0.567 44.119 45.100 -0.690 0.000 0.794 271 G HN 0.640 nan 8.290 nan 0.000 0.483 272 K N 0.392 120.745 120.400 -0.079 0.000 3.481 272 K HA 0.366 4.686 4.320 -0.000 0.000 0.166 272 K C -0.031 176.675 176.600 0.177 0.000 1.032 272 K CA -0.345 56.016 56.287 0.123 0.000 0.776 272 K CB 0.093 32.793 32.500 0.333 0.000 0.797 272 K HN 0.459 nan 8.250 nan 0.000 0.516 273 S N 3.472 119.280 115.700 0.179 0.000 2.546 273 S HA 0.111 4.581 4.470 -0.000 0.000 0.290 273 S C -2.284 172.490 174.600 0.290 0.000 1.290 273 S CA -0.399 57.947 58.200 0.243 0.000 1.069 273 S CB 0.235 63.652 63.200 0.362 0.000 0.846 273 S HN 0.358 nan 8.310 nan 0.000 0.495 274 P HA 0.218 nan 4.420 nan 0.000 0.288 274 P C -1.145 176.384 177.300 0.382 0.000 1.267 274 P CA -0.760 62.562 63.100 0.371 0.000 0.815 274 P CB 0.672 32.535 31.700 0.272 0.000 0.989 275 N N 3.261 122.205 118.700 0.407 0.000 2.564 275 N HA 0.312 5.051 4.740 -0.000 0.000 0.248 275 N C -0.630 175.093 175.510 0.356 0.000 0.986 275 N CA -0.606 52.690 53.050 0.410 0.000 0.921 275 N CB 0.398 39.055 38.487 0.285 0.000 1.136 275 N HN 0.311 nan 8.380 nan 0.000 0.509 276 I N 4.159 124.902 120.570 0.288 0.000 2.312 276 I HA 0.248 4.418 4.170 -0.000 0.000 0.291 276 I C -0.474 175.812 176.117 0.281 0.000 1.031 276 I CA -0.533 60.870 61.300 0.172 0.000 1.293 276 I CB 0.744 38.707 38.000 -0.061 0.000 1.403 276 I HN 0.365 nan 8.210 nan 0.000 0.484 277 I N 7.548 128.282 120.570 0.273 0.000 2.355 277 I HA 0.304 4.474 4.170 -0.000 0.000 0.288 277 I C 0.132 176.432 176.117 0.305 0.000 0.999 277 I CA -0.278 61.158 61.300 0.227 0.000 1.163 277 I CB 0.986 38.906 38.000 -0.134 0.000 1.316 277 I HN 0.413 nan 8.210 nan 0.000 0.454 278 M N 3.452 123.233 119.600 0.301 0.000 2.291 278 M HA 0.264 4.744 4.480 -0.000 0.000 0.324 278 M C 1.593 177.983 176.300 0.149 0.000 1.148 278 M CA -0.205 55.254 55.300 0.265 0.000 1.104 278 M CB 0.949 33.696 32.600 0.244 0.000 1.483 278 M HN 0.705 nan 8.290 nan 0.000 0.467 279 S N 0.895 116.643 115.700 0.080 0.000 2.402 279 S HA -0.191 4.279 4.470 -0.000 0.000 0.233 279 S C 0.886 175.537 174.600 0.085 0.000 1.030 279 S CA 1.663 59.895 58.200 0.054 0.000 1.003 279 S CB -0.654 62.555 63.200 0.015 0.000 0.813 279 S HN 0.782 nan 8.310 nan 0.000 0.477 280 D N 2.027 122.488 120.400 0.101 0.000 2.328 280 D HA 0.324 4.964 4.640 -0.000 0.000 0.226 280 D C 0.498 176.882 176.300 0.140 0.000 1.066 280 D CA 0.234 54.297 54.000 0.104 0.000 0.861 280 D CB -0.427 40.426 40.800 0.088 0.000 0.912 280 D HN 0.494 nan 8.370 nan 0.000 0.521 281 A N 0.709 123.636 122.820 0.178 0.000 2.462 281 A HA 0.135 4.455 4.320 -0.000 0.000 0.243 281 A C 0.255 177.976 177.584 0.229 0.000 1.076 281 A CA -0.380 51.806 52.037 0.247 0.000 0.773 281 A CB 0.261 19.441 19.000 0.300 0.000 1.010 281 A HN 0.120 nan 8.150 nan 0.000 0.493 282 D N 3.137 123.697 120.400 0.268 0.000 2.363 282 D HA 0.051 4.691 4.640 -0.000 0.000 0.263 282 D C 1.223 177.674 176.300 0.253 0.000 1.258 282 D CA -0.192 53.948 54.000 0.233 0.000 0.907 282 D CB 0.327 41.273 40.800 0.243 0.000 1.107 282 D HN 0.366 nan 8.370 nan 0.000 0.495 283 M N 3.147 122.860 119.600 0.188 0.000 2.082 283 M HA -0.189 4.291 4.480 -0.000 0.000 0.258 283 M C 1.350 177.722 176.300 0.120 0.000 1.071 283 M CA 1.494 56.897 55.300 0.171 0.000 1.103 283 M CB -1.030 31.646 32.600 0.128 0.000 1.307 283 M HN 0.421 nan 8.290 nan 0.000 0.409 284 D N -0.578 119.886 120.400 0.107 0.000 2.154 284 D HA -0.267 4.373 4.640 -0.000 0.000 0.190 284 D C 1.825 178.202 176.300 0.128 0.000 1.003 284 D CA 1.326 55.375 54.000 0.082 0.000 0.849 284 D CB -0.739 40.121 40.800 0.099 0.000 0.942 284 D HN 0.608 nan 8.370 nan 0.000 0.446 285 W N 1.633 122.940 121.300 0.011 0.000 2.379 285 W HA -0.089 4.571 4.660 -0.000 0.000 0.307 285 W C 2.265 178.762 176.519 -0.037 0.000 1.200 285 W CA 1.496 58.857 57.345 0.028 0.000 1.297 285 W CB -0.156 29.365 29.460 0.102 0.000 1.140 285 W HN 0.010 nan 8.180 nan 0.000 0.507 286 A N 0.494 123.294 122.820 -0.033 0.000 1.940 286 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 286 A C 2.035 179.467 177.584 -0.254 0.000 1.176 286 A CA 2.179 53.986 52.037 -0.383 0.000 0.631 286 A CB -1.058 17.951 19.000 0.015 0.000 0.814 286 A HN 0.179 nan 8.150 nan 0.000 0.446 287 V N -0.341 119.467 119.914 -0.177 0.000 2.323 287 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 287 V C 2.591 178.497 176.094 -0.313 0.000 1.041 287 V CA 2.287 64.336 62.300 -0.419 0.000 1.025 287 V CB -0.602 30.950 31.823 -0.453 0.000 0.656 287 V HN 0.668 nan 8.190 nan 0.000 0.451 288 E N -0.062 119.983 120.200 -0.258 0.000 2.072 288 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 288 E C 2.282 178.759 176.600 -0.205 0.000 0.985 288 E CA 1.179 57.465 56.400 -0.191 0.000 0.801 288 E CB -0.230 29.379 29.700 -0.152 0.000 0.750 288 E HN 0.468 nan 8.360 nan 0.000 0.452 289 Q N -0.234 119.285 119.800 -0.469 0.000 2.124 289 Q HA -0.060 4.280 4.340 -0.000 0.000 0.202 289 Q C 2.124 177.998 176.000 -0.210 0.000 0.977 289 Q CA 1.423 56.957 55.803 -0.449 0.000 0.850 289 Q CB -0.449 27.854 28.738 -0.724 0.000 0.901 289 Q HN 0.385 nan 8.270 nan 0.000 0.429 290 A N 0.164 122.840 122.820 -0.239 0.000 1.933 290 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 290 A C 1.912 179.525 177.584 0.049 0.000 1.175 290 A CA 1.873 53.866 52.037 -0.074 0.000 0.628 290 A CB -0.667 18.419 19.000 0.143 0.000 0.814 290 A HN 0.437 nan 8.150 nan 0.000 0.444 291 H N -1.599 117.451 119.070 -0.034 0.000 2.326 291 H HA -0.090 4.466 4.556 -0.000 0.000 0.301 291 H C 1.657 177.107 175.328 0.205 0.000 1.081 291 H CA 1.969 58.067 56.048 0.083 0.000 1.334 291 H CB -0.452 29.253 29.762 -0.095 0.000 1.385 291 H HN 0.433 nan 8.280 nan 0.000 0.504 292 F N 0.911 120.825 119.950 -0.060 0.000 2.134 292 F HA -0.088 4.439 4.527 -0.000 0.000 0.299 292 F C 2.521 178.267 175.800 -0.089 0.000 1.097 292 F CA 1.532 59.477 58.000 -0.091 0.000 1.264 292 F CB -0.842 38.084 39.000 -0.124 0.000 1.001 292 F HN 0.264 nan 8.300 nan 0.000 0.479 293 A N 0.072 122.820 122.820 -0.120 0.000 1.986 293 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 293 A C 2.186 179.544 177.584 -0.376 0.000 1.171 293 A CA 2.133 53.863 52.037 -0.511 0.000 0.640 293 A CB -0.957 17.383 19.000 -1.100 0.000 0.811 293 A HN 0.615 nan 8.150 nan 0.000 0.451 294 L N -3.455 117.629 121.223 -0.231 0.000 2.445 294 L HA 0.298 4.638 4.340 -0.000 0.000 0.207 294 L C 1.891 178.568 176.870 -0.322 0.000 1.053 294 L CA 0.526 55.211 54.840 -0.258 0.000 0.841 294 L CB 0.139 42.020 42.059 -0.298 0.000 1.074 294 L HN 0.264 nan 8.230 nan 0.000 0.479 295 F N -0.485 119.299 119.950 -0.276 0.000 2.512 295 F HA 0.022 4.549 4.527 -0.000 0.000 0.296 295 F C 0.945 176.576 175.800 -0.281 0.000 1.110 295 F CA -0.144 57.684 58.000 -0.285 0.000 1.446 295 F CB -0.396 38.349 39.000 -0.424 0.000 1.092 295 F HN -0.066 nan 8.300 nan 0.000 0.554 296 F N 2.552 122.288 119.950 -0.356 0.000 2.604 296 F HA -0.080 4.447 4.527 -0.000 0.000 0.390 296 F C 1.090 176.729 175.800 -0.269 0.000 1.053 296 F CA -0.088 57.630 58.000 -0.471 0.000 1.256 296 F CB -0.250 38.190 39.000 -0.933 0.000 0.996 296 F HN 0.177 nan 8.300 nan 0.000 0.564 297 N N 3.480 121.528 118.700 -1.087 0.000 2.727 297 N HA -0.282 4.458 4.740 -0.000 0.000 0.251 297 N C -0.064 175.161 175.510 -0.476 0.000 1.040 297 N CA 1.311 53.826 53.050 -0.892 0.000 0.712 297 N CB -0.957 36.863 38.487 -1.111 0.000 0.912 297 N HN 0.757 nan 8.380 nan 0.000 0.545 298 Q N -1.613 118.012 119.800 -0.292 0.000 2.461 298 Q HA -0.186 4.154 4.340 -0.000 0.000 0.273 298 Q C 1.192 177.086 176.000 -0.176 0.000 1.163 298 Q CA 2.089 57.806 55.803 -0.143 0.000 0.929 298 Q CB -1.804 26.880 28.738 -0.090 0.000 1.334 298 Q HN 1.102 nan 8.270 nan 0.000 0.499 299 G N -0.960 107.695 108.800 -0.242 0.000 2.166 299 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.260 299 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.260 299 G C 0.070 174.703 174.900 -0.444 0.000 0.986 299 G CA 0.554 45.480 45.100 -0.291 0.000 0.683 299 G HN 0.486 nan 8.290 nan 0.000 0.527 300 Q N -0.304 119.153 119.800 -0.571 0.000 3.091 300 Q HA 0.500 4.840 4.340 -0.000 0.000 0.301 300 Q C -0.079 175.353 176.000 -0.945 0.000 1.337 300 Q CA -0.156 54.948 55.803 -1.165 0.000 1.083 300 Q CB 0.873 29.253 28.738 -0.595 0.000 1.477 300 Q HN 0.388 nan 8.270 nan 0.000 0.537 301 C N 0.214 119.132 119.300 -0.637 0.000 2.481 301 C HA 0.315 4.775 4.460 -0.000 0.000 0.324 301 C C 1.993 177.072 174.990 0.148 0.000 1.170 301 C CA -0.716 58.293 59.018 -0.016 0.000 1.361 301 C CB 0.100 27.990 27.740 0.251 0.000 1.977 301 C HN 0.988 nan 8.230 nan 0.000 0.459 302 C N 1.964 121.450 119.300 0.311 0.000 2.401 302 C HA -0.102 4.358 4.460 -0.000 0.000 0.276 302 C C 2.191 177.367 174.990 0.309 0.000 1.233 302 C CA 1.699 60.916 59.018 0.331 0.000 1.753 302 C CB -2.389 25.512 27.740 0.269 0.000 2.029 302 C HN 1.025 nan 8.230 nan 0.000 0.478 303 C N 1.749 121.327 119.300 0.463 0.000 2.480 303 C HA 0.712 5.172 4.460 -0.000 0.000 0.317 303 C C 1.347 176.688 174.990 0.585 0.000 1.300 303 C CA -0.937 58.416 59.018 0.558 0.000 1.706 303 C CB -2.698 25.591 27.740 0.914 0.000 1.840 303 C HN 0.751 nan 8.230 nan 0.000 0.596 304 A N 0.946 123.990 122.820 0.372 0.000 2.498 304 A HA 0.475 4.795 4.320 -0.000 0.000 0.239 304 A C 1.112 178.838 177.584 0.237 0.000 1.068 304 A CA 0.688 52.873 52.037 0.247 0.000 0.766 304 A CB -0.066 18.964 19.000 0.051 0.000 1.003 304 A HN 1.108 nan 8.150 nan 0.000 0.497 305 G N 1.287 110.101 108.800 0.024 0.000 2.916 305 G HA2 0.342 4.302 3.960 -0.000 0.000 0.280 305 G HA3 0.342 4.302 3.960 -0.000 0.000 0.280 305 G C 0.805 175.710 174.900 0.008 0.000 0.758 305 G CA 0.358 45.477 45.100 0.031 0.000 1.993 305 G HN 1.023 nan 8.290 nan 0.000 0.564 306 S N 0.845 116.579 115.700 0.057 0.000 2.603 306 S HA 0.134 4.604 4.470 -0.000 0.000 0.220 306 S C 0.953 175.558 174.600 0.008 0.000 0.967 306 S CA -0.155 58.047 58.200 0.004 0.000 0.920 306 S CB 0.376 63.575 63.200 -0.002 0.000 0.773 306 S HN 0.453 nan 8.310 nan 0.000 0.529 307 R N 1.606 122.137 120.500 0.051 0.000 2.607 307 R HA 0.273 4.613 4.340 -0.000 0.000 0.278 307 R C -1.291 175.001 176.300 -0.014 0.000 1.637 307 R CA -0.070 56.006 56.100 -0.040 0.000 1.325 307 R CB 1.194 31.542 30.300 0.081 0.000 1.211 307 R HN 0.079 nan 8.270 nan 0.000 0.565 308 T N 3.363 117.883 114.554 -0.057 0.000 2.863 308 T HA 0.228 4.578 4.350 -0.000 0.000 0.299 308 T C -0.202 174.491 174.700 -0.011 0.000 0.973 308 T CA -0.089 62.038 62.100 0.044 0.000 0.994 308 T CB -0.156 68.766 68.868 0.090 0.000 0.961 308 T HN 0.184 nan 8.240 nan 0.000 0.552 309 F N 2.824 122.827 119.950 0.088 0.000 2.405 309 F HA 0.314 4.841 4.527 -0.000 0.000 0.358 309 F C 0.440 176.408 175.800 0.279 0.000 1.151 309 F CA -0.879 57.221 58.000 0.165 0.000 1.161 309 F CB 0.240 39.237 39.000 -0.006 0.000 1.245 309 F HN 0.209 nan 8.300 nan 0.000 0.545 310 V N 3.784 123.915 119.914 0.363 0.000 2.407 310 V HA 0.169 4.288 4.120 -0.000 0.000 0.278 310 V C 0.306 176.516 176.094 0.194 0.000 1.037 310 V CA -1.006 61.388 62.300 0.156 0.000 0.900 310 V CB 1.220 32.930 31.823 -0.189 0.000 0.983 310 V HN 0.482 nan 8.190 nan 0.000 0.459 311 Q N 3.518 123.267 119.800 -0.084 0.000 2.247 311 Q HA -0.041 4.299 4.340 -0.000 0.000 0.288 311 Q C 1.468 177.331 176.000 -0.227 0.000 1.079 311 Q CA 0.446 55.866 55.803 -0.637 0.000 0.932 311 Q CB 0.796 29.224 28.738 -0.517 0.000 1.133 311 Q HN 1.012 nan 8.270 nan 0.000 0.377 312 E N 3.131 123.191 120.200 -0.233 0.000 2.172 312 E HA -0.312 4.038 4.350 -0.000 0.000 0.213 312 E C 0.500 177.098 176.600 -0.004 0.000 1.051 312 E CA 2.095 58.446 56.400 -0.082 0.000 0.860 312 E CB -0.105 29.515 29.700 -0.133 0.000 0.755 312 E HN 0.571 nan 8.360 nan 0.000 0.462 313 D N 0.720 121.091 120.400 -0.048 0.000 2.228 313 D HA -0.151 4.489 4.640 -0.000 0.000 0.203 313 D C 1.943 178.268 176.300 0.042 0.000 0.988 313 D CA 1.750 55.747 54.000 -0.005 0.000 0.864 313 D CB -0.162 40.626 40.800 -0.021 0.000 0.928 313 D HN 0.686 nan 8.370 nan 0.000 0.469 314 I N -3.912 116.693 120.570 0.058 0.000 4.154 314 I HA 0.187 4.357 4.170 -0.000 0.000 0.334 314 I C 1.636 177.847 176.117 0.158 0.000 1.371 314 I CA -0.551 60.809 61.300 0.100 0.000 1.110 314 I CB -0.128 37.926 38.000 0.091 0.000 1.085 314 I HN -0.204 nan 8.210 nan 0.000 0.398 315 Y N 3.106 123.423 120.300 0.029 0.000 1.993 315 Y HA -0.360 4.190 4.550 -0.000 0.000 0.267 315 Y C 2.742 178.715 175.900 0.121 0.000 1.155 315 Y CA 2.772 60.911 58.100 0.064 0.000 1.105 315 Y CB -0.467 38.010 38.460 0.028 0.000 0.960 315 Y HN 0.254 nan 8.280 nan 0.000 0.486 316 A N 0.371 123.352 122.820 0.269 0.000 1.870 316 A HA -0.333 3.987 4.320 -0.000 0.000 0.219 316 A C 2.259 179.863 177.584 0.034 0.000 1.224 316 A CA 2.298 54.417 52.037 0.137 0.000 0.650 316 A CB -1.266 17.832 19.000 0.163 0.000 0.836 316 A HN 0.643 nan 8.150 nan 0.000 0.454 317 E N -1.023 119.218 120.200 0.068 0.000 2.070 317 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 317 E C 1.865 178.485 176.600 0.033 0.000 1.004 317 E CA 1.689 58.116 56.400 0.046 0.000 0.805 317 E CB -0.431 29.310 29.700 0.068 0.000 0.744 317 E HN 0.586 nan 8.360 nan 0.000 0.451 318 F N 0.833 120.733 119.950 -0.083 0.000 2.069 318 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 318 F C 2.440 178.145 175.800 -0.157 0.000 1.113 318 F CA 1.598 59.534 58.000 -0.108 0.000 1.214 318 F CB -0.444 38.498 39.000 -0.097 0.000 0.978 318 F HN -0.146 nan 8.300 nan 0.000 0.474 319 V N 0.888 120.783 119.914 -0.032 0.000 2.282 319 V HA -0.370 3.750 4.120 -0.000 0.000 0.249 319 V C 2.485 178.489 176.094 -0.151 0.000 1.057 319 V CA 2.371 64.581 62.300 -0.150 0.000 1.032 319 V CB -0.910 30.732 31.823 -0.302 0.000 0.645 319 V HN 0.506 nan 8.190 nan 0.000 0.447 320 E N 0.339 120.468 120.200 -0.118 0.000 2.097 320 E HA -0.286 4.064 4.350 -0.000 0.000 0.196 320 E C 2.408 178.918 176.600 -0.150 0.000 1.000 320 E CA 1.690 58.028 56.400 -0.103 0.000 0.804 320 E CB -0.118 29.543 29.700 -0.065 0.000 0.740 320 E HN 0.545 nan 8.360 nan 0.000 0.454 321 R N 0.044 120.420 120.500 -0.207 0.000 2.090 321 R HA -0.007 4.333 4.340 -0.000 0.000 0.228 321 R C 2.671 178.769 176.300 -0.337 0.000 1.110 321 R CA 1.153 57.091 56.100 -0.269 0.000 0.973 321 R CB -0.193 29.914 30.300 -0.322 0.000 0.869 321 R HN 0.128 nan 8.270 nan 0.000 0.440 322 S N 0.736 116.204 115.700 -0.386 0.000 2.356 322 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 322 S C 2.201 176.673 174.600 -0.212 0.000 1.032 322 S CA 1.295 59.299 58.200 -0.327 0.000 1.005 322 S CB -0.215 62.838 63.200 -0.245 0.000 0.867 322 S HN 0.058 nan 8.310 nan 0.000 0.449 323 V N 2.248 122.065 119.914 -0.162 0.000 2.295 323 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 323 V C 2.689 178.691 176.094 -0.155 0.000 1.049 323 V CA 1.709 63.936 62.300 -0.121 0.000 1.024 323 V CB -1.341 30.425 31.823 -0.095 0.000 0.648 323 V HN 0.543 nan 8.190 nan 0.000 0.447 324 A N 0.334 123.050 122.820 -0.173 0.000 1.940 324 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 324 A C 2.318 179.762 177.584 -0.234 0.000 1.176 324 A CA 2.229 54.162 52.037 -0.173 0.000 0.631 324 A CB -0.533 18.371 19.000 -0.159 0.000 0.814 324 A HN 0.455 nan 8.150 nan 0.000 0.446 325 R N 0.181 120.483 120.500 -0.331 0.000 2.075 325 R HA 0.029 4.369 4.340 -0.000 0.000 0.232 325 R C 2.130 178.091 176.300 -0.565 0.000 1.126 325 R CA 1.891 57.678 56.100 -0.521 0.000 0.963 325 R CB -0.954 28.899 30.300 -0.744 0.000 0.858 325 R HN 0.380 nan 8.270 nan 0.000 0.435 326 A N 0.512 123.077 122.820 -0.425 0.000 1.930 326 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 326 A C 1.969 179.437 177.584 -0.193 0.000 1.175 326 A CA 1.612 53.461 52.037 -0.314 0.000 0.627 326 A CB -0.366 18.560 19.000 -0.123 0.000 0.815 326 A HN 0.376 nan 8.150 nan 0.000 0.443 327 K N 0.410 120.712 120.400 -0.163 0.000 2.209 327 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 327 K C 2.122 178.654 176.600 -0.114 0.000 1.048 327 K CA 1.501 57.719 56.287 -0.115 0.000 0.940 327 K CB -0.085 32.354 32.500 -0.102 0.000 0.729 327 K HN 0.674 nan 8.250 nan 0.000 0.451 328 S N 0.285 115.895 115.700 -0.149 0.000 2.486 328 S HA -0.004 4.466 4.470 -0.000 0.000 0.220 328 S C 0.923 175.460 174.600 -0.105 0.000 1.011 328 S CA -0.330 57.797 58.200 -0.123 0.000 0.921 328 S CB -0.064 63.052 63.200 -0.139 0.000 0.785 328 S HN 0.134 nan 8.310 nan 0.000 0.517 329 R N 2.375 122.801 120.500 -0.122 0.000 2.561 329 R HA 0.106 4.446 4.340 -0.000 0.000 0.347 329 R C -0.954 175.317 176.300 -0.047 0.000 0.916 329 R CA -0.032 56.026 56.100 -0.069 0.000 1.063 329 R CB -0.208 30.040 30.300 -0.087 0.000 0.916 329 R HN 0.175 nan 8.270 nan 0.000 0.410 330 V N 6.406 126.299 119.914 -0.035 0.000 2.450 330 V HA 0.023 4.143 4.120 -0.000 0.000 0.281 330 V C 0.332 176.405 176.094 -0.035 0.000 1.019 330 V CA 0.082 62.359 62.300 -0.039 0.000 1.062 330 V CB 1.071 32.875 31.823 -0.033 0.000 0.979 330 V HN 0.441 nan 8.190 nan 0.000 0.477 331 V N 5.277 125.154 119.914 -0.061 0.000 2.435 331 V HA 0.977 5.097 4.120 -0.000 0.000 0.290 331 V C 0.653 176.613 176.094 -0.224 0.000 1.030 331 V CA 0.715 62.969 62.300 -0.077 0.000 0.881 331 V CB 1.224 33.021 31.823 -0.044 0.000 0.983 331 V HN 1.111 nan 8.190 nan 0.000 0.445 332 G N 3.794 112.445 108.800 -0.249 0.000 2.393 332 G HA2 0.135 4.095 3.960 -0.000 0.000 0.264 332 G HA3 0.135 4.095 3.960 -0.000 0.000 0.264 332 G C -0.976 173.860 174.900 -0.108 0.000 1.221 332 G CA -0.787 44.096 45.100 -0.361 0.000 0.912 332 G HN 0.562 nan 8.290 nan 0.000 0.483 333 N N 1.482 120.164 118.700 -0.030 0.000 2.434 333 N HA 0.257 4.997 4.740 -0.000 0.000 0.268 333 N C -1.223 174.349 175.510 0.103 0.000 1.256 333 N CA -1.507 51.609 53.050 0.111 0.000 0.914 333 N CB 1.484 40.030 38.487 0.098 0.000 1.088 333 N HN 0.004 nan 8.380 nan 0.000 0.478 334 P HA -0.123 nan 4.420 nan 0.000 0.218 334 P C 0.464 177.688 177.300 -0.127 0.000 1.146 334 P CA 1.284 64.344 63.100 -0.066 0.000 0.820 334 P CB -0.004 31.579 31.700 -0.195 0.000 0.778 335 F N -1.599 118.387 119.950 0.061 0.000 2.797 335 F HA 0.070 4.597 4.527 -0.000 0.000 0.302 335 F C 1.124 176.947 175.800 0.038 0.000 1.130 335 F CA 0.240 58.264 58.000 0.040 0.000 1.387 335 F CB -0.277 38.698 39.000 -0.043 0.000 1.107 335 F HN -0.129 nan 8.300 nan 0.000 0.577 336 D N -0.343 120.156 120.400 0.165 0.000 2.277 336 D HA 0.058 4.698 4.640 -0.000 0.000 0.249 336 D C 1.009 177.360 176.300 0.085 0.000 1.134 336 D CA 0.149 54.210 54.000 0.102 0.000 0.863 336 D CB 1.633 42.467 40.800 0.056 0.000 1.143 336 D HN -0.028 nan 8.370 nan 0.000 0.458 337 S N 3.331 119.080 115.700 0.083 0.000 2.407 337 S HA -0.206 4.264 4.470 -0.000 0.000 0.235 337 S C 1.656 176.282 174.600 0.043 0.000 1.036 337 S CA 1.177 59.419 58.200 0.069 0.000 1.013 337 S CB 0.072 63.305 63.200 0.056 0.000 0.820 337 S HN 0.555 nan 8.310 nan 0.000 0.476 338 R N 0.614 121.132 120.500 0.030 0.000 2.240 338 R HA 0.097 4.436 4.340 -0.000 0.000 0.203 338 R C 0.261 176.566 176.300 0.009 0.000 1.011 338 R CA 0.377 56.486 56.100 0.014 0.000 1.007 338 R CB -0.224 30.078 30.300 0.002 0.000 0.911 338 R HN 0.156 nan 8.270 nan 0.000 0.468 339 T N 1.120 115.682 114.554 0.014 0.000 2.853 339 T HA -0.013 4.337 4.350 -0.000 0.000 0.298 339 T C 0.898 175.606 174.700 0.013 0.000 0.978 339 T CA 0.275 62.378 62.100 0.005 0.000 1.152 339 T CB 1.411 70.286 68.868 0.012 0.000 0.914 339 T HN 0.257 nan 8.240 nan 0.000 0.539 340 E N 2.446 122.652 120.200 0.011 0.000 2.290 340 E HA 0.078 4.428 4.350 -0.000 0.000 0.197 340 E C 0.633 177.242 176.600 0.015 0.000 0.948 340 E CA 0.130 56.543 56.400 0.023 0.000 0.895 340 E CB 0.487 30.205 29.700 0.029 0.000 0.865 340 E HN 0.626 nan 8.360 nan 0.000 0.486 341 Q N -0.075 119.739 119.800 0.023 0.000 2.310 341 Q HA 0.453 4.793 4.340 -0.000 0.000 0.270 341 Q C -0.570 175.495 176.000 0.109 0.000 1.025 341 Q CA -0.668 55.162 55.803 0.046 0.000 0.772 341 Q CB 1.827 30.610 28.738 0.075 0.000 1.253 341 Q HN 0.215 nan 8.270 nan 0.000 0.450 342 G N 3.078 111.941 108.800 0.105 0.000 2.543 342 G HA2 0.599 4.559 3.960 -0.000 0.000 0.267 342 G HA3 0.599 4.559 3.960 -0.000 0.000 0.267 342 G C -2.568 172.479 174.900 0.245 0.000 1.406 342 G CA -1.046 44.180 45.100 0.210 0.000 1.048 342 G HN 0.551 nan 8.290 nan 0.000 0.548 343 P HA 0.275 nan 4.420 nan 0.000 0.279 343 P C -1.096 176.128 177.300 -0.127 0.000 1.252 343 P CA -0.480 62.402 63.100 -0.362 0.000 0.811 343 P CB 1.315 32.458 31.700 -0.927 0.000 1.035 344 Q N 0.393 120.168 119.800 -0.042 0.000 2.296 344 Q HA 0.061 4.401 4.340 -0.000 0.000 0.262 344 Q C 1.400 177.328 176.000 -0.119 0.000 0.981 344 Q CA 0.204 56.008 55.803 0.001 0.000 0.905 344 Q CB 0.243 29.061 28.738 0.133 0.000 1.186 344 Q HN 0.198 nan 8.270 nan 0.000 0.399 345 V N 2.639 122.440 119.914 -0.188 0.000 2.295 345 V HA -0.344 3.776 4.120 -0.000 0.000 0.262 345 V C 0.193 176.036 176.094 -0.420 0.000 1.098 345 V CA 2.823 64.920 62.300 -0.338 0.000 1.095 345 V CB -0.199 31.220 31.823 -0.674 0.000 0.704 345 V HN 1.095 nan 8.190 nan 0.000 0.454 346 D N -4.186 115.860 120.400 -0.590 0.000 2.623 346 D HA 0.189 4.829 4.640 -0.000 0.000 0.241 346 D C 0.453 176.126 176.300 -1.045 0.000 1.241 346 D CA 0.010 53.501 54.000 -0.848 0.000 0.788 346 D CB 0.750 41.197 40.800 -0.589 0.000 1.413 346 D HN 0.088 nan 8.370 nan 0.000 0.429 347 E N 0.067 119.390 120.200 -1.463 0.000 2.114 347 E HA -0.270 4.080 4.350 -0.000 0.000 0.199 347 E C 1.055 177.528 176.600 -0.212 0.000 1.008 347 E CA 2.158 58.100 56.400 -0.764 0.000 0.810 347 E CB -0.095 29.382 29.700 -0.372 0.000 0.739 347 E HN 0.568 nan 8.360 nan 0.000 0.456 348 T N 1.030 115.444 114.554 -0.233 0.000 2.684 348 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 348 T C 1.795 176.460 174.700 -0.058 0.000 1.036 348 T CA 1.352 63.386 62.100 -0.111 0.000 1.148 348 T CB -0.127 68.670 68.868 -0.118 0.000 0.863 348 T HN 0.188 nan 8.240 nan 0.000 0.436 349 Q N -0.194 119.543 119.800 -0.105 0.000 2.172 349 Q HA 0.052 4.392 4.340 -0.000 0.000 0.200 349 Q C 2.049 178.109 176.000 0.101 0.000 0.964 349 Q CA 0.778 56.587 55.803 0.011 0.000 0.855 349 Q CB -0.580 28.124 28.738 -0.057 0.000 0.918 349 Q HN 0.507 nan 8.270 nan 0.000 0.444 350 F N 2.422 122.296 119.950 -0.127 0.000 2.043 350 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 350 F C 1.949 177.756 175.800 0.012 0.000 1.121 350 F CA 1.669 59.644 58.000 -0.041 0.000 1.199 350 F CB -0.082 38.878 39.000 -0.066 0.000 0.968 350 F HN -0.034 nan 8.300 nan 0.000 0.478 351 K N -0.066 120.350 120.400 0.028 0.000 2.211 351 K HA -0.167 4.153 4.320 -0.000 0.000 0.203 351 K C 2.150 178.714 176.600 -0.060 0.000 1.050 351 K CA 1.109 57.349 56.287 -0.078 0.000 0.945 351 K CB -0.232 32.265 32.500 -0.004 0.000 0.732 351 K HN 0.286 nan 8.250 nan 0.000 0.451 352 K N 1.053 121.451 120.400 -0.002 0.000 2.025 352 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 352 K C 2.066 178.712 176.600 0.076 0.000 1.049 352 K CA 1.008 57.304 56.287 0.016 0.000 0.933 352 K CB 0.067 32.623 32.500 0.093 0.000 0.714 352 K HN -0.106 nan 8.250 nan 0.000 0.438 353 V N 1.737 121.734 119.914 0.138 0.000 2.295 353 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 353 V C 2.238 178.402 176.094 0.116 0.000 1.049 353 V CA 1.598 64.020 62.300 0.204 0.000 1.024 353 V CB -0.429 31.487 31.823 0.155 0.000 0.648 353 V HN 0.319 nan 8.190 nan 0.000 0.447 354 L N 0.605 121.810 121.223 -0.030 0.000 2.127 354 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 354 L C 2.616 179.472 176.870 -0.023 0.000 1.089 354 L CA 1.650 56.453 54.840 -0.063 0.000 0.757 354 L CB -1.144 40.796 42.059 -0.198 0.000 0.899 354 L HN 0.495 nan 8.230 nan 0.000 0.434 355 G N -1.126 107.636 108.800 -0.064 0.000 2.422 355 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 355 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 355 G C 1.290 176.118 174.900 -0.119 0.000 1.146 355 G CA 0.471 45.496 45.100 -0.125 0.000 0.769 355 G HN 0.244 nan 8.290 nan 0.000 0.547 356 Y N 0.479 120.781 120.300 0.003 0.000 2.200 356 Y HA 0.099 4.649 4.550 -0.000 0.000 0.290 356 Y C 2.734 178.624 175.900 -0.016 0.000 1.137 356 Y CA 0.440 58.534 58.100 -0.009 0.000 1.163 356 Y CB -0.238 38.227 38.460 0.009 0.000 0.988 356 Y HN 0.109 nan 8.280 nan 0.000 0.518 357 I N -0.142 120.559 120.570 0.219 0.000 2.208 357 I HA -0.360 3.810 4.170 -0.000 0.000 0.245 357 I C 2.474 178.715 176.117 0.207 0.000 1.097 357 I CA 1.558 63.032 61.300 0.290 0.000 1.363 357 I CB -0.297 37.864 38.000 0.268 0.000 1.051 357 I HN 0.151 nan 8.210 nan 0.000 0.413 358 K N 0.283 120.745 120.400 0.102 0.000 2.057 358 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 358 K C 2.373 178.992 176.600 0.031 0.000 1.049 358 K CA 1.638 57.962 56.287 0.061 0.000 0.931 358 K CB -0.092 32.416 32.500 0.013 0.000 0.714 358 K HN 0.136 nan 8.250 nan 0.000 0.440 359 S N -0.174 115.528 115.700 0.003 0.000 2.351 359 S HA -0.152 4.318 4.470 -0.000 0.000 0.220 359 S C 2.036 176.597 174.600 -0.065 0.000 1.035 359 S CA 1.863 60.051 58.200 -0.019 0.000 1.031 359 S CB -0.860 62.347 63.200 0.011 0.000 0.928 359 S HN 0.552 nan 8.310 nan 0.000 0.433 360 G N 1.435 110.123 108.800 -0.188 0.000 2.529 360 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 360 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 360 G C 1.506 176.298 174.900 -0.180 0.000 1.177 360 G CA 1.241 46.070 45.100 -0.452 0.000 0.773 360 G HN 0.613 nan 8.290 nan 0.000 0.573 361 K N 0.409 120.838 120.400 0.048 0.000 2.001 361 K HA -0.122 4.197 4.320 -0.000 0.000 0.214 361 K C 2.510 179.157 176.600 0.078 0.000 1.050 361 K CA 1.648 58.041 56.287 0.177 0.000 0.934 361 K CB -0.252 32.360 32.500 0.187 0.000 0.718 361 K HN 0.416 nan 8.250 nan 0.000 0.443 362 E N 0.698 120.922 120.200 0.040 0.000 2.118 362 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 362 E C 1.852 178.459 176.600 0.012 0.000 0.992 362 E CA 0.880 57.294 56.400 0.023 0.000 0.804 362 E CB -0.035 29.671 29.700 0.011 0.000 0.741 362 E HN 0.306 nan 8.360 nan 0.000 0.458 363 E N -0.141 120.054 120.200 -0.008 0.000 2.333 363 E HA -0.080 4.270 4.350 -0.000 0.000 0.198 363 E C 1.057 177.658 176.600 0.003 0.000 1.007 363 E CA 0.903 57.295 56.400 -0.013 0.000 0.845 363 E CB 0.044 29.719 29.700 -0.041 0.000 0.766 363 E HN 0.383 nan 8.360 nan 0.000 0.507 364 G N 0.947 109.759 108.800 0.020 0.000 2.580 364 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.204 364 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.204 364 G C -0.317 174.621 174.900 0.064 0.000 1.107 364 G CA -0.225 44.901 45.100 0.043 0.000 0.881 364 G HN 0.097 nan 8.290 nan 0.000 0.497 365 L N -0.618 120.667 121.223 0.103 0.000 2.333 365 L HA 0.610 4.949 4.340 -0.000 0.000 0.269 365 L C 0.651 177.692 176.870 0.284 0.000 1.010 365 L CA -1.419 53.530 54.840 0.181 0.000 0.818 365 L CB 1.807 43.947 42.059 0.134 0.000 1.306 365 L HN 0.089 nan 8.230 nan 0.000 0.430 366 K N 2.672 123.223 120.400 0.251 0.000 2.166 366 K HA 0.113 4.433 4.320 -0.000 0.000 0.273 366 K C -0.516 176.168 176.600 0.140 0.000 1.095 366 K CA -0.180 56.213 56.287 0.177 0.000 0.985 366 K CB -0.344 32.243 32.500 0.145 0.000 1.172 366 K HN 0.331 nan 8.250 nan 0.000 0.401 367 L N 5.971 127.231 121.223 0.062 0.000 2.536 367 L HA 0.096 4.436 4.340 -0.000 0.000 0.282 367 L C 0.145 176.908 176.870 -0.178 0.000 1.147 367 L CA 0.609 55.305 54.840 -0.241 0.000 0.936 367 L CB 0.032 41.998 42.059 -0.155 0.000 1.279 367 L HN 0.765 nan 8.230 nan 0.000 0.461 368 L N 3.479 124.580 121.223 -0.202 0.000 2.307 368 L HA 0.120 4.459 4.340 -0.000 0.000 0.211 368 L C 0.448 177.247 176.870 -0.118 0.000 1.099 368 L CA 0.134 54.907 54.840 -0.112 0.000 0.816 368 L CB -0.109 41.908 42.059 -0.069 0.000 0.952 368 L HN 0.542 nan 8.230 nan 0.000 0.455 369 C N 0.342 119.540 119.300 -0.170 0.000 2.482 369 C HA 0.556 5.016 4.460 -0.000 0.000 0.317 369 C C 0.938 175.849 174.990 -0.132 0.000 1.197 369 C CA -1.490 57.459 59.018 -0.114 0.000 1.432 369 C CB 0.998 28.703 27.740 -0.058 0.000 2.062 369 C HN 0.479 nan 8.230 nan 0.000 0.471 370 G N 2.343 111.097 108.800 -0.076 0.000 2.113 370 G HA2 0.336 4.296 3.960 -0.000 0.000 0.263 370 G HA3 0.336 4.296 3.960 -0.000 0.000 0.263 370 G C 0.711 175.585 174.900 -0.043 0.000 0.954 370 G CA 0.429 45.497 45.100 -0.053 0.000 0.996 370 G HN 1.234 nan 8.290 nan 0.000 0.381 371 G N 1.932 110.700 108.800 -0.052 0.000 3.286 371 G HA2 0.627 4.587 3.960 -0.000 0.000 0.303 371 G HA3 0.627 4.587 3.960 -0.000 0.000 0.303 371 G C 0.382 175.296 174.900 0.024 0.000 0.974 371 G CA 0.242 45.339 45.100 -0.006 0.000 1.635 371 G HN 0.981 nan 8.290 nan 0.000 0.535 372 G N -0.397 108.417 108.800 0.025 0.000 2.687 372 G HA2 0.747 4.707 3.960 -0.000 0.000 0.291 372 G HA3 0.747 4.707 3.960 -0.000 0.000 0.291 372 G C -0.349 174.577 174.900 0.044 0.000 1.420 372 G CA -0.111 45.000 45.100 0.018 0.000 0.796 372 G HN 0.788 nan 8.290 nan 0.000 0.485 373 A N -0.747 122.103 122.820 0.050 0.000 2.483 373 A HA 0.554 4.873 4.320 -0.000 0.000 0.238 373 A C 1.409 179.102 177.584 0.182 0.000 1.070 373 A CA 0.967 53.108 52.037 0.172 0.000 0.770 373 A CB 0.557 19.709 19.000 0.254 0.000 1.008 373 A HN 1.977 nan 8.150 nan 0.000 0.497 374 A N 0.933 123.905 122.820 0.253 0.000 2.252 374 A HA 0.611 4.931 4.320 -0.000 0.000 0.213 374 A C 0.932 178.583 177.584 0.113 0.000 1.188 374 A CA 1.204 53.333 52.037 0.152 0.000 0.863 374 A CB -0.265 18.817 19.000 0.137 0.000 0.893 374 A HN 2.212 nan 8.150 nan 0.000 0.495 375 A N -0.391 122.557 122.820 0.212 0.000 2.581 375 A HA 0.546 4.865 4.320 -0.000 0.000 0.290 375 A C -0.511 177.178 177.584 0.176 0.000 1.119 375 A CA 0.194 52.327 52.037 0.158 0.000 0.670 375 A CB 0.313 19.415 19.000 0.170 0.000 1.280 375 A HN 0.118 nan 8.150 nan 0.000 0.425 376 D N -0.740 119.723 120.400 0.105 0.000 2.360 376 D HA 0.034 4.674 4.640 -0.000 0.000 0.210 376 D C 1.131 177.442 176.300 0.019 0.000 1.047 376 D CA 0.638 54.682 54.000 0.074 0.000 0.854 376 D CB -0.005 40.823 40.800 0.048 0.000 0.936 376 D HN 0.621 nan 8.370 nan 0.000 0.514 377 R N 0.881 121.388 120.500 0.012 0.000 1.852 377 R HA 0.407 4.747 4.340 -0.000 0.000 0.161 377 R C 1.610 177.738 176.300 -0.287 0.000 1.756 377 R CA -0.007 56.047 56.100 -0.076 0.000 1.480 377 R CB -1.226 29.072 30.300 -0.003 0.000 0.995 377 R HN -0.017 nan 8.270 nan 0.000 0.490 378 G N -0.014 108.603 108.800 -0.304 0.000 2.590 378 G HA2 0.051 4.011 3.960 -0.000 0.000 0.276 378 G HA3 0.051 4.011 3.960 -0.000 0.000 0.276 378 G C -0.830 173.402 174.900 -1.113 0.000 1.337 378 G CA -0.648 43.937 45.100 -0.859 0.000 1.030 378 G HN 0.424 nan 8.290 nan 0.000 0.534 379 Y N -0.034 119.675 120.300 -0.986 0.000 2.767 379 Y HA 0.393 4.943 4.550 -0.000 0.000 0.354 379 Y C -0.346 175.166 175.900 -0.647 0.000 1.292 379 Y CA -0.894 56.430 58.100 -1.293 0.000 1.749 379 Y CB -0.609 37.271 38.460 -0.967 0.000 1.841 379 Y HN 0.097 nan 8.280 nan 0.000 0.454 380 F N 1.577 121.549 119.950 0.036 0.000 2.404 380 F HA 0.557 5.084 4.527 -0.000 0.000 0.339 380 F C 0.217 176.274 175.800 0.428 0.000 1.105 380 F CA -1.180 56.952 58.000 0.219 0.000 1.087 380 F CB 0.927 39.981 39.000 0.090 0.000 1.143 380 F HN 0.032 nan 8.300 nan 0.000 0.491 381 I N 2.291 123.149 120.570 0.482 0.000 2.608 381 I HA 0.248 4.418 4.170 -0.000 0.000 0.295 381 I C -0.630 175.619 176.117 0.220 0.000 1.049 381 I CA -0.981 60.499 61.300 0.301 0.000 1.063 381 I CB 2.119 40.248 38.000 0.215 0.000 1.248 381 I HN 0.497 nan 8.210 nan 0.000 0.424 382 Q N 6.108 126.001 119.800 0.154 0.000 2.313 382 Q HA 0.188 4.528 4.340 -0.000 0.000 0.266 382 Q C -2.271 173.816 176.000 0.146 0.000 0.989 382 Q CA -1.584 54.290 55.803 0.118 0.000 0.890 382 Q CB 0.269 29.048 28.738 0.069 0.000 1.200 382 Q HN 0.220 nan 8.270 nan 0.000 0.396 383 P HA -0.056 nan 4.420 nan 0.000 0.257 383 P C -0.977 176.493 177.300 0.283 0.000 1.227 383 P CA 0.551 63.876 63.100 0.375 0.000 0.981 383 P CB 0.191 32.031 31.700 0.233 0.000 1.044 384 T N 2.720 117.396 114.554 0.204 0.000 2.909 384 T HA 0.398 4.748 4.350 -0.000 0.000 0.289 384 T C 0.101 174.832 174.700 0.051 0.000 1.005 384 T CA -0.233 61.888 62.100 0.034 0.000 1.084 384 T CB 0.754 69.604 68.868 -0.030 0.000 0.975 384 T HN -0.065 nan 8.240 nan 0.000 0.509 385 V N 3.496 123.350 119.914 -0.100 0.000 2.569 385 V HA 0.478 4.598 4.120 -0.000 0.000 0.301 385 V C -1.116 174.855 176.094 -0.205 0.000 1.044 385 V CA -0.910 61.376 62.300 -0.023 0.000 0.874 385 V CB 1.359 33.214 31.823 0.054 0.000 1.002 385 V HN 0.779 nan 8.190 nan 0.000 0.424 386 F N 2.377 122.353 119.950 0.043 0.000 2.436 386 F HA 0.792 5.319 4.527 -0.000 0.000 0.340 386 F C 0.925 176.754 175.800 0.048 0.000 1.113 386 F CA -0.234 57.790 58.000 0.040 0.000 1.022 386 F CB 2.070 41.088 39.000 0.030 0.000 1.128 386 F HN 0.589 nan 8.300 nan 0.000 0.466 387 G N 0.849 109.786 108.800 0.227 0.000 2.509 387 G HA2 0.403 4.363 3.960 -0.000 0.000 0.328 387 G HA3 0.403 4.363 3.960 -0.000 0.000 0.328 387 G C -0.904 174.139 174.900 0.238 0.000 1.194 387 G CA -0.876 44.343 45.100 0.198 0.000 0.967 387 G HN 0.813 nan 8.290 nan 0.000 0.488 388 D N -0.689 119.902 120.400 0.318 0.000 2.980 388 D HA -0.192 4.447 4.640 -0.000 0.000 0.218 388 D C -0.267 176.114 176.300 0.134 0.000 1.225 388 D CA 0.440 54.577 54.000 0.229 0.000 0.804 388 D CB -1.066 39.831 40.800 0.162 0.000 0.906 388 D HN 0.135 nan 8.370 nan 0.000 0.396 389 L N 0.501 121.788 121.223 0.106 0.000 2.379 389 L HA 0.244 4.584 4.340 -0.000 0.000 0.269 389 L C 0.713 177.593 176.870 0.017 0.000 1.084 389 L CA -0.236 54.629 54.840 0.042 0.000 0.802 389 L CB 1.298 43.357 42.059 0.000 0.000 1.175 389 L HN 0.104 nan 8.230 nan 0.000 0.448 390 Q N 1.025 120.829 119.800 0.008 0.000 2.333 390 Q HA 0.204 4.544 4.340 -0.000 0.000 0.267 390 Q C -0.021 175.988 176.000 0.015 0.000 1.012 390 Q CA -0.625 55.188 55.803 0.017 0.000 0.824 390 Q CB 1.695 30.445 28.738 0.020 0.000 1.290 390 Q HN 0.533 nan 8.270 nan 0.000 0.449 391 D N 1.823 122.247 120.400 0.040 0.000 2.220 391 D HA -0.176 4.464 4.640 -0.000 0.000 0.198 391 D C 1.523 177.847 176.300 0.039 0.000 1.001 391 D CA 1.894 55.928 54.000 0.057 0.000 0.875 391 D CB 0.031 40.890 40.800 0.099 0.000 0.921 391 D HN 0.827 nan 8.370 nan 0.000 0.454 392 G N -0.563 108.255 108.800 0.030 0.000 2.744 392 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.211 392 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.211 392 G C 0.569 175.477 174.900 0.013 0.000 1.143 392 G CA -0.178 44.935 45.100 0.022 0.000 0.788 392 G HN 0.180 nan 8.290 nan 0.000 0.534 393 M N 0.858 120.459 119.600 0.003 0.000 2.228 393 M HA 0.147 4.627 4.480 -0.000 0.000 0.351 393 M C 1.738 178.034 176.300 -0.006 0.000 1.233 393 M CA -0.148 55.144 55.300 -0.013 0.000 1.129 393 M CB 0.898 33.474 32.600 -0.040 0.000 1.604 393 M HN -0.090 nan 8.290 nan 0.000 0.457 394 T N 3.061 117.620 114.554 0.009 0.000 2.624 394 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 394 T C 1.581 176.301 174.700 0.033 0.000 1.041 394 T CA 2.192 64.324 62.100 0.054 0.000 1.159 394 T CB -0.497 68.431 68.868 0.100 0.000 0.863 394 T HN 0.808 nan 8.240 nan 0.000 0.434 395 I N -0.082 120.474 120.570 -0.023 0.000 2.850 395 I HA 0.042 4.212 4.170 -0.000 0.000 0.266 395 I C 2.240 178.295 176.117 -0.104 0.000 1.257 395 I CA 1.238 62.468 61.300 -0.117 0.000 1.465 395 I CB -0.397 37.466 38.000 -0.228 0.000 1.091 395 I HN 0.120 nan 8.210 nan 0.000 0.467 396 A N 0.942 123.727 122.820 -0.058 0.000 2.220 396 A HA 0.155 4.474 4.320 -0.000 0.000 0.211 396 A C 2.190 179.785 177.584 0.019 0.000 1.176 396 A CA 0.260 52.278 52.037 -0.032 0.000 0.834 396 A CB -0.063 18.919 19.000 -0.030 0.000 0.868 396 A HN 0.473 nan 8.150 nan 0.000 0.488 397 K N 0.007 120.423 120.400 0.027 0.000 2.266 397 K HA 0.149 4.469 4.320 -0.000 0.000 0.209 397 K C -0.011 176.649 176.600 0.101 0.000 1.065 397 K CA 0.227 56.550 56.287 0.060 0.000 0.946 397 K CB 0.169 32.694 32.500 0.042 0.000 1.069 397 K HN 0.395 nan 8.250 nan 0.000 0.472 398 E N 2.129 122.373 120.200 0.072 0.000 2.343 398 E HA 0.035 4.385 4.350 -0.000 0.000 0.269 398 E C -0.753 175.822 176.600 -0.042 0.000 1.047 398 E CA -0.205 56.251 56.400 0.094 0.000 0.874 398 E CB 1.150 30.948 29.700 0.162 0.000 1.033 398 E HN 0.109 nan 8.360 nan 0.000 0.409 399 E N 3.450 123.690 120.200 0.067 0.000 2.220 399 E HA -0.044 4.306 4.350 -0.000 0.000 0.272 399 E C 0.618 177.107 176.600 -0.186 0.000 1.099 399 E CA -0.349 56.038 56.400 -0.022 0.000 0.907 399 E CB 0.337 30.044 29.700 0.011 0.000 1.022 399 E HN 0.438 nan 8.360 nan 0.000 0.428 400 I N 4.650 125.044 120.570 -0.293 0.000 2.333 400 I HA -0.090 4.080 4.170 -0.000 0.000 0.246 400 I C 1.128 177.312 176.117 0.112 0.000 1.106 400 I CA 0.656 61.728 61.300 -0.379 0.000 1.411 400 I CB -1.072 36.748 38.000 -0.299 0.000 1.082 400 I HN 0.775 nan 8.210 nan 0.000 0.420 401 F N 1.309 121.220 119.950 -0.063 0.000 3.074 401 F HA -0.126 4.401 4.527 -0.000 0.000 0.289 401 F C 0.594 176.429 175.800 0.058 0.000 0.863 401 F CA 0.647 58.659 58.000 0.020 0.000 1.121 401 F CB -1.224 37.830 39.000 0.090 0.000 1.169 401 F HN 0.211 nan 8.300 nan 0.000 0.570 402 G N -0.558 108.255 108.800 0.021 0.000 2.727 402 G HA2 0.637 4.597 3.960 -0.000 0.000 0.289 402 G HA3 0.637 4.597 3.960 -0.000 0.000 0.289 402 G C -3.050 171.787 174.900 -0.105 0.000 1.418 402 G CA -0.743 44.360 45.100 0.005 0.000 0.818 402 G HN -0.120 nan 8.290 nan 0.000 0.486 403 P HA 0.281 nan 4.420 nan 0.000 0.230 403 P C -0.684 176.477 177.300 -0.231 0.000 1.791 403 P CA -0.053 62.917 63.100 -0.216 0.000 1.020 403 P CB 0.321 32.075 31.700 0.090 0.000 1.977 404 V N 4.120 123.875 119.914 -0.265 0.000 2.419 404 V HA 0.324 4.444 4.120 -0.000 0.000 0.287 404 V C 0.295 176.300 176.094 -0.148 0.000 1.017 404 V CA -0.647 61.605 62.300 -0.080 0.000 0.844 404 V CB 1.905 33.783 31.823 0.092 0.000 1.011 404 V HN 0.354 nan 8.190 nan 0.000 0.429 405 M N 4.040 123.566 119.600 -0.123 0.000 2.233 405 M HA 0.558 5.038 4.480 -0.000 0.000 0.355 405 M C -0.663 175.696 176.300 0.099 0.000 1.191 405 M CA -0.222 55.036 55.300 -0.070 0.000 1.101 405 M CB 1.279 33.879 32.600 0.000 0.000 1.592 405 M HN 0.615 nan 8.290 nan 0.000 0.461 406 Q N 4.954 124.783 119.800 0.047 0.000 2.322 406 Q HA 0.579 4.918 4.340 -0.000 0.000 0.265 406 Q C -1.286 174.735 176.000 0.035 0.000 0.985 406 Q CA 0.024 55.862 55.803 0.059 0.000 0.849 406 Q CB 1.840 30.565 28.738 -0.022 0.000 1.274 406 Q HN 0.692 nan 8.270 nan 0.000 0.449 407 I N 4.330 124.946 120.570 0.077 0.000 2.382 407 I HA 0.332 4.502 4.170 -0.000 0.000 0.285 407 I C -0.990 175.195 176.117 0.113 0.000 1.007 407 I CA -0.826 60.521 61.300 0.077 0.000 1.142 407 I CB 0.787 38.840 38.000 0.088 0.000 1.289 407 I HN 0.324 nan 8.210 nan 0.000 0.453 408 L N 6.365 127.586 121.223 -0.004 0.000 2.334 408 L HA 0.531 4.870 4.340 -0.000 0.000 0.270 408 L C -0.016 176.998 176.870 0.241 0.000 1.018 408 L CA -0.461 54.380 54.840 0.000 0.000 0.811 408 L CB 1.169 42.974 42.059 -0.423 0.000 1.271 408 L HN 0.466 nan 8.230 nan 0.000 0.443 409 K N 1.456 121.985 120.400 0.214 0.000 2.270 409 K HA 0.686 5.006 4.320 -0.000 0.000 0.255 409 K C -1.511 175.267 176.600 0.295 0.000 0.936 409 K CA -0.466 55.931 56.287 0.184 0.000 0.809 409 K CB 1.411 33.687 32.500 -0.373 0.000 1.131 409 K HN 0.485 nan 8.250 nan 0.000 0.427 410 F N 1.546 121.581 119.950 0.142 0.000 2.613 410 F HA 0.484 5.010 4.527 -0.000 0.000 0.314 410 F C 0.164 176.007 175.800 0.071 0.000 1.075 410 F CA -0.945 57.134 58.000 0.132 0.000 0.945 410 F CB 1.813 40.927 39.000 0.191 0.000 1.310 410 F HN 0.623 nan 8.300 nan 0.000 0.467 411 K N 0.912 121.316 120.400 0.007 0.000 2.214 411 K HA 0.289 4.609 4.320 -0.000 0.000 0.210 411 K C 0.179 176.749 176.600 -0.051 0.000 1.036 411 K CA 0.818 57.029 56.287 -0.126 0.000 0.958 411 K CB 0.092 32.579 32.500 -0.021 0.000 0.973 411 K HN 0.826 nan 8.250 nan 0.000 0.466 412 S N -0.558 115.251 115.700 0.181 0.000 2.681 412 S HA 0.217 4.687 4.470 -0.000 0.000 0.299 412 S C 0.954 175.770 174.600 0.359 0.000 1.113 412 S CA -0.817 57.507 58.200 0.207 0.000 1.013 412 S CB 1.517 64.781 63.200 0.107 0.000 1.076 412 S HN 0.298 nan 8.310 nan 0.000 0.534 413 M N 0.758 120.507 119.600 0.249 0.000 2.099 413 M HA -0.029 4.451 4.480 -0.000 0.000 0.262 413 M C 2.220 178.580 176.300 0.101 0.000 1.067 413 M CA 1.837 57.245 55.300 0.181 0.000 1.124 413 M CB -0.472 32.212 32.600 0.140 0.000 1.353 413 M HN 1.011 nan 8.290 nan 0.000 0.410 414 E N 0.084 120.336 120.200 0.088 0.000 2.114 414 E HA -0.326 4.024 4.350 -0.000 0.000 0.199 414 E C 1.830 178.458 176.600 0.047 0.000 1.008 414 E CA 2.008 58.450 56.400 0.069 0.000 0.810 414 E CB -0.208 29.519 29.700 0.046 0.000 0.739 414 E HN 0.682 nan 8.360 nan 0.000 0.456 415 E N -0.038 120.203 120.200 0.067 0.000 2.028 415 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 415 E C 2.214 178.799 176.600 -0.025 0.000 0.988 415 E CA 1.275 57.711 56.400 0.060 0.000 0.799 415 E CB -0.127 29.654 29.700 0.134 0.000 0.755 415 E HN 0.235 nan 8.360 nan 0.000 0.447 416 V N 0.549 120.404 119.914 -0.100 0.000 2.490 416 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 416 V C 2.306 178.141 176.094 -0.432 0.000 1.061 416 V CA 1.520 63.539 62.300 -0.467 0.000 1.064 416 V CB -0.022 31.151 31.823 -1.083 0.000 0.670 416 V HN 0.240 nan 8.190 nan 0.000 0.461 417 V N 0.740 120.516 119.914 -0.231 0.000 2.261 417 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 417 V C 2.712 178.713 176.094 -0.156 0.000 1.047 417 V CA 2.302 64.496 62.300 -0.177 0.000 1.015 417 V CB -1.507 30.282 31.823 -0.057 0.000 0.642 417 V HN 0.627 nan 8.190 nan 0.000 0.446 418 G N -0.488 108.255 108.800 -0.096 0.000 2.440 418 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 418 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 418 G C 1.751 176.607 174.900 -0.074 0.000 1.154 418 G CA 0.831 45.894 45.100 -0.062 0.000 0.767 418 G HN 0.444 nan 8.290 nan 0.000 0.552 419 R N 0.468 120.903 120.500 -0.109 0.000 2.062 419 R HA 0.086 4.426 4.340 -0.000 0.000 0.231 419 R C 3.091 179.313 176.300 -0.130 0.000 1.136 419 R CA 1.133 57.190 56.100 -0.071 0.000 0.948 419 R CB -0.519 29.768 30.300 -0.022 0.000 0.845 419 R HN 0.316 nan 8.270 nan 0.000 0.430 420 A N 1.746 124.321 122.820 -0.407 0.000 1.917 420 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 420 A C 1.700 179.212 177.584 -0.119 0.000 1.182 420 A CA 1.776 53.595 52.037 -0.364 0.000 0.633 420 A CB -0.503 18.193 19.000 -0.506 0.000 0.819 420 A HN 0.268 nan 8.150 nan 0.000 0.448 421 N N 0.278 118.906 118.700 -0.119 0.000 2.494 421 N HA -0.050 4.690 4.740 -0.000 0.000 0.182 421 N C 0.235 175.735 175.510 -0.017 0.000 1.076 421 N CA 0.224 53.235 53.050 -0.064 0.000 0.908 421 N CB -0.408 38.035 38.487 -0.074 0.000 0.967 421 N HN 0.381 nan 8.380 nan 0.000 0.449 422 N N 1.254 119.952 118.700 -0.003 0.000 2.819 422 N HA 0.029 4.769 4.740 -0.000 0.000 0.284 422 N C -1.030 174.503 175.510 0.039 0.000 1.196 422 N CA 0.354 53.416 53.050 0.020 0.000 1.114 422 N CB 0.051 38.555 38.487 0.029 0.000 1.437 422 N HN -0.026 nan 8.380 nan 0.000 0.518 423 S N 0.623 116.341 115.700 0.030 0.000 2.547 423 S HA 0.264 4.734 4.470 -0.000 0.000 0.270 423 S C 0.544 175.141 174.600 -0.005 0.000 1.150 423 S CA -0.594 57.623 58.200 0.029 0.000 0.850 423 S CB 1.073 64.334 63.200 0.102 0.000 1.118 423 S HN 0.207 nan 8.310 nan 0.000 0.461 424 K N 1.122 121.462 120.400 -0.100 0.000 2.296 424 K HA 0.108 4.428 4.320 -0.000 0.000 0.200 424 K C -0.106 176.463 176.600 -0.052 0.000 1.048 424 K CA 0.974 57.183 56.287 -0.131 0.000 0.966 424 K CB -0.246 32.098 32.500 -0.260 0.000 0.754 424 K HN 0.550 nan 8.250 nan 0.000 0.466 425 Y N -0.117 120.211 120.300 0.047 0.000 2.326 425 Y HA 0.432 4.982 4.550 -0.000 0.000 0.324 425 Y C 1.385 177.304 175.900 0.032 0.000 1.291 425 Y CA -0.721 57.406 58.100 0.045 0.000 1.348 425 Y CB 1.184 39.678 38.460 0.056 0.000 1.294 425 Y HN 0.064 nan 8.280 nan 0.000 0.525 426 G N 0.896 109.816 108.800 0.201 0.000 5.374 426 G HA2 0.148 4.108 3.960 -0.000 0.000 0.198 426 G HA3 0.148 4.108 3.960 -0.000 0.000 0.198 426 G C 0.042 174.923 174.900 -0.033 0.000 0.812 426 G CA -0.260 44.878 45.100 0.064 0.000 0.614 426 G HN 0.557 nan 8.290 nan 0.000 0.357 427 L N 0.522 121.714 121.223 -0.050 0.000 2.095 427 L HA 0.740 5.080 4.340 -0.000 0.000 0.204 427 L C 1.130 177.803 176.870 -0.328 0.000 1.080 427 L CA 2.153 56.889 54.840 -0.174 0.000 0.759 427 L CB 0.048 42.051 42.059 -0.093 0.000 0.914 427 L HN 0.493 nan 8.230 nan 0.000 0.439 428 A N -2.224 120.467 122.820 -0.214 0.000 2.581 428 A HA 0.887 5.207 4.320 -0.000 0.000 0.290 428 A C -1.465 176.027 177.584 -0.152 0.000 1.119 428 A CA -0.104 51.732 52.037 -0.335 0.000 0.670 428 A CB 0.719 19.552 19.000 -0.279 0.000 1.280 428 A HN 0.458 nan 8.150 nan 0.000 0.425 429 A N -1.219 121.475 122.820 -0.210 0.000 2.566 429 A HA 1.036 5.356 4.320 -0.000 0.000 0.290 429 A C -0.686 176.936 177.584 0.064 0.000 1.071 429 A CA 0.096 52.137 52.037 0.007 0.000 0.658 429 A CB 0.524 19.461 19.000 -0.105 0.000 1.285 429 A HN 2.712 nan 8.150 nan 0.000 0.427 430 A N -0.530 122.433 122.820 0.237 0.000 2.606 430 A HA 0.791 5.111 4.320 -0.000 0.000 0.293 430 A C -1.530 176.169 177.584 0.192 0.000 1.082 430 A CA -0.370 51.828 52.037 0.268 0.000 0.685 430 A CB 1.512 20.893 19.000 0.635 0.000 1.284 430 A HN 1.903 nan 8.150 nan 0.000 0.408 431 V N 0.585 120.523 119.914 0.041 0.000 2.569 431 V HA 0.525 4.645 4.120 -0.000 0.000 0.301 431 V C -1.523 174.528 176.094 -0.071 0.000 1.044 431 V CA -0.276 62.059 62.300 0.058 0.000 0.874 431 V CB 1.277 33.107 31.823 0.012 0.000 1.002 431 V HN 0.697 nan 8.190 nan 0.000 0.424 432 F N 2.543 122.600 119.950 0.179 0.000 2.361 432 F HA 0.771 5.298 4.527 -0.000 0.000 0.364 432 F C 0.605 176.511 175.800 0.177 0.000 1.117 432 F CA -0.120 58.004 58.000 0.207 0.000 1.071 432 F CB 1.993 41.127 39.000 0.224 0.000 1.188 432 F HN 0.501 nan 8.300 nan 0.000 0.464 433 T N 1.972 116.671 114.554 0.241 0.000 2.885 433 T HA 0.261 4.611 4.350 -0.000 0.000 0.322 433 T C 0.400 175.185 174.700 0.141 0.000 1.387 433 T CA -1.079 61.133 62.100 0.185 0.000 1.041 433 T CB 2.375 71.326 68.868 0.138 0.000 1.287 433 T HN 0.409 nan 8.240 nan 0.000 0.491 434 K N 0.024 120.496 120.400 0.119 0.000 2.361 434 K HA 0.119 4.439 4.320 -0.000 0.000 0.194 434 K C 0.007 176.645 176.600 0.063 0.000 1.032 434 K CA -0.015 56.323 56.287 0.084 0.000 1.048 434 K CB 0.288 32.834 32.500 0.077 0.000 0.842 434 K HN 0.490 nan 8.250 nan 0.000 0.526 435 D N 1.186 121.628 120.400 0.069 0.000 2.312 435 D HA 0.005 4.645 4.640 -0.000 0.000 0.252 435 D C 0.837 177.168 176.300 0.051 0.000 1.150 435 D CA -0.233 53.801 54.000 0.056 0.000 0.870 435 D CB 1.140 41.976 40.800 0.060 0.000 1.153 435 D HN -0.177 nan 8.370 nan 0.000 0.457 436 L N 4.013 125.260 121.223 0.039 0.000 1.994 436 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 436 L C 1.298 178.195 176.870 0.044 0.000 1.071 436 L CA 1.868 56.729 54.840 0.035 0.000 0.745 436 L CB -0.471 41.603 42.059 0.026 0.000 0.892 436 L HN 0.483 nan 8.230 nan 0.000 0.431 437 D N -0.323 120.105 120.400 0.047 0.000 2.144 437 D HA -0.177 4.463 4.640 -0.000 0.000 0.199 437 D C 2.126 178.483 176.300 0.095 0.000 0.984 437 D CA 1.218 55.254 54.000 0.061 0.000 0.834 437 D CB -0.050 40.773 40.800 0.039 0.000 0.955 437 D HN 0.446 nan 8.370 nan 0.000 0.465 438 K N 0.678 121.130 120.400 0.086 0.000 2.057 438 K HA -0.008 4.312 4.320 -0.000 0.000 0.206 438 K C 2.173 178.842 176.600 0.115 0.000 1.050 438 K CA 0.955 57.312 56.287 0.117 0.000 0.935 438 K CB -0.003 32.559 32.500 0.103 0.000 0.715 438 K HN 0.005 nan 8.250 nan 0.000 0.439 439 A N 2.145 125.010 122.820 0.076 0.000 1.858 439 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 439 A C 1.861 179.460 177.584 0.026 0.000 1.190 439 A CA 1.624 53.686 52.037 0.041 0.000 0.617 439 A CB -0.527 18.489 19.000 0.027 0.000 0.827 439 A HN 0.214 nan 8.150 nan 0.000 0.443 440 N N -1.219 117.506 118.700 0.042 0.000 2.025 440 N HA -0.195 4.545 4.740 -0.000 0.000 0.194 440 N C 1.670 177.196 175.510 0.027 0.000 1.044 440 N CA 1.872 54.940 53.050 0.029 0.000 0.851 440 N CB -0.809 37.706 38.487 0.048 0.000 1.036 440 N HN 0.605 nan 8.380 nan 0.000 0.422 441 Y N 1.740 122.029 120.300 -0.017 0.000 2.053 441 Y HA -0.155 4.395 4.550 -0.000 0.000 0.277 441 Y C 2.401 178.279 175.900 -0.038 0.000 1.159 441 Y CA 1.523 59.611 58.100 -0.021 0.000 1.125 441 Y CB -0.659 37.794 38.460 -0.011 0.000 0.969 441 Y HN 0.007 nan 8.280 nan 0.000 0.492 442 L N -0.289 120.898 121.223 -0.060 0.000 2.042 442 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 442 L C 2.821 179.570 176.870 -0.202 0.000 1.076 442 L CA 1.767 56.519 54.840 -0.147 0.000 0.749 442 L CB -0.887 41.154 42.059 -0.031 0.000 0.893 442 L HN 0.436 nan 8.230 nan 0.000 0.432 443 S N -0.628 114.981 115.700 -0.151 0.000 2.374 443 S HA -0.347 4.123 4.470 -0.000 0.000 0.227 443 S C 1.927 176.407 174.600 -0.201 0.000 1.037 443 S CA 1.748 59.849 58.200 -0.166 0.000 1.024 443 S CB -0.518 62.608 63.200 -0.123 0.000 0.861 443 S HN 0.596 nan 8.310 nan 0.000 0.456 444 Q N 0.921 120.594 119.800 -0.213 0.000 2.245 444 Q HA 0.133 4.473 4.340 -0.000 0.000 0.201 444 Q C 2.131 177.977 176.000 -0.258 0.000 0.955 444 Q CA 0.981 56.659 55.803 -0.209 0.000 0.870 444 Q CB -0.425 28.201 28.738 -0.187 0.000 0.945 444 Q HN 0.725 nan 8.270 nan 0.000 0.461 445 A N 0.844 123.443 122.820 -0.368 0.000 1.975 445 A HA 0.143 4.463 4.320 -0.000 0.000 0.215 445 A C 0.966 178.402 177.584 -0.246 0.000 1.170 445 A CA 0.034 51.858 52.037 -0.354 0.000 0.656 445 A CB -0.172 18.511 19.000 -0.529 0.000 0.821 445 A HN 0.351 nan 8.150 nan 0.000 0.449 446 L N 1.202 122.274 121.223 -0.252 0.000 2.361 446 L HA 0.104 4.444 4.340 -0.000 0.000 0.278 446 L C -0.100 176.585 176.870 -0.309 0.000 1.113 446 L CA -0.216 54.475 54.840 -0.248 0.000 0.849 446 L CB 0.535 42.446 42.059 -0.246 0.000 1.155 446 L HN 0.381 nan 8.230 nan 0.000 0.452 447 Q N 3.735 123.372 119.800 -0.270 0.000 2.837 447 Q HA 0.442 4.782 4.340 -0.000 0.000 0.235 447 Q C -0.212 175.367 176.000 -0.700 0.000 1.348 447 Q CA -0.244 55.348 55.803 -0.352 0.000 0.990 447 Q CB 0.468 29.186 28.738 -0.034 0.000 1.570 447 Q HN 0.694 nan 8.270 nan 0.000 0.575 448 A N -0.124 122.046 122.820 -1.085 0.000 2.475 448 A HA 0.664 4.984 4.320 -0.000 0.000 0.301 448 A C 0.963 177.893 177.584 -1.090 0.000 1.059 448 A CA -0.498 50.986 52.037 -0.921 0.000 0.710 448 A CB 1.318 20.004 19.000 -0.523 0.000 1.288 448 A HN 0.549 nan 8.150 nan 0.000 0.408 449 G N 0.284 108.715 108.800 -0.614 0.000 2.448 449 G HA2 0.276 4.236 3.960 -0.000 0.000 0.219 449 G HA3 0.276 4.236 3.960 -0.000 0.000 0.219 449 G C 0.455 175.082 174.900 -0.456 0.000 1.127 449 G CA 1.640 46.552 45.100 -0.314 0.000 0.766 449 G HN 0.926 nan 8.290 nan 0.000 0.552 450 T N -0.573 113.603 114.554 -0.630 0.000 3.032 450 T HA 0.479 4.829 4.350 -0.000 0.000 0.312 450 T C -1.213 172.954 174.700 -0.889 0.000 1.078 450 T CA -0.509 61.134 62.100 -0.761 0.000 1.028 450 T CB 2.717 71.016 68.868 -0.948 0.000 1.091 450 T HN -0.085 nan 8.240 nan 0.000 0.457 451 V N 3.320 122.808 119.914 -0.710 0.000 2.376 451 V HA 0.414 4.534 4.120 -0.000 0.000 0.287 451 V C -0.715 175.112 176.094 -0.446 0.000 1.015 451 V CA -0.964 61.021 62.300 -0.525 0.000 0.834 451 V CB 1.183 32.807 31.823 -0.332 0.000 1.001 451 V HN 0.786 nan 8.190 nan 0.000 0.428 452 W N 3.844 125.000 121.300 -0.240 0.000 2.338 452 W HA 0.535 5.195 4.660 -0.000 0.000 0.307 452 W C -0.466 175.907 176.519 -0.244 0.000 1.167 452 W CA -0.680 56.519 57.345 -0.244 0.000 1.208 452 W CB 1.702 30.962 29.460 -0.332 0.000 1.228 452 W HN 0.272 nan 8.180 nan 0.000 0.499 453 V N 5.669 125.578 119.914 -0.009 0.000 2.328 453 V HA 0.096 4.216 4.120 -0.000 0.000 0.278 453 V C 0.173 176.173 176.094 -0.156 0.000 1.021 453 V CA -0.677 61.555 62.300 -0.113 0.000 0.838 453 V CB 0.759 32.547 31.823 -0.059 0.000 0.999 453 V HN 0.657 nan 8.190 nan 0.000 0.447 454 N N 2.437 120.864 118.700 -0.455 0.000 2.776 454 N HA -0.163 4.577 4.740 -0.000 0.000 0.249 454 N C -0.361 175.261 175.510 0.186 0.000 1.111 454 N CA 1.171 54.066 53.050 -0.258 0.000 0.711 454 N CB -1.243 37.301 38.487 0.096 0.000 1.065 454 N HN 1.068 nan 8.380 nan 0.000 0.556 455 C N -4.484 114.738 119.300 -0.130 0.000 3.211 455 C HA 0.785 5.245 4.460 -0.000 0.000 0.350 455 C C -1.285 173.741 174.990 0.060 0.000 1.413 455 C CA -1.347 57.782 59.018 0.186 0.000 1.203 455 C CB 1.518 29.362 27.740 0.173 0.000 1.506 455 C HN 0.265 nan 8.230 nan 0.000 0.448 456 Y N -0.191 119.923 120.300 -0.310 0.000 2.624 456 Y HA 0.469 5.018 4.550 -0.000 0.000 0.334 456 Y C 0.004 175.200 175.900 -1.174 0.000 1.155 456 Y CA 0.531 58.182 58.100 -0.748 0.000 1.046 456 Y CB 1.306 39.635 38.460 -0.219 0.000 1.316 456 Y HN 1.028 nan 8.280 nan 0.000 0.457 457 D N 1.244 120.442 120.400 -2.005 0.000 2.792 457 D HA -0.149 4.491 4.640 -0.000 0.000 0.231 457 D C -0.792 174.645 176.300 -1.438 0.000 1.160 457 D CA 0.961 54.065 54.000 -1.493 0.000 0.697 457 D CB -0.922 39.563 40.800 -0.526 0.000 1.070 457 D HN 0.139 nan 8.370 nan 0.000 0.426 458 V N 1.491 120.667 119.914 -1.230 0.000 2.389 458 V HA 0.216 4.336 4.120 -0.000 0.000 0.264 458 V C 0.436 176.336 176.094 -0.323 0.000 1.049 458 V CA -0.057 61.925 62.300 -0.529 0.000 0.932 458 V CB 0.088 31.795 31.823 -0.193 0.000 1.011 458 V HN -0.053 nan 8.190 nan 0.000 0.475 459 F N 2.665 122.688 119.950 0.121 0.000 2.492 459 F HA 0.838 5.365 4.527 -0.000 0.000 0.327 459 F C 0.718 176.558 175.800 0.066 0.000 1.079 459 F CA -1.104 56.977 58.000 0.135 0.000 0.967 459 F CB 2.117 41.190 39.000 0.121 0.000 1.169 459 F HN 0.496 nan 8.300 nan 0.000 0.472 460 G N 0.045 108.974 108.800 0.216 0.000 2.719 460 G HA2 0.526 4.486 3.960 -0.000 0.000 0.298 460 G HA3 0.526 4.486 3.960 -0.000 0.000 0.298 460 G C 0.095 174.937 174.900 -0.096 0.000 1.433 460 G CA -0.301 44.828 45.100 0.048 0.000 1.034 460 G HN 0.866 nan 8.290 nan 0.000 0.517 461 A N 1.558 124.256 122.820 -0.202 0.000 2.024 461 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 461 A C 2.179 179.205 177.584 -0.929 0.000 1.164 461 A CA 1.999 53.767 52.037 -0.449 0.000 0.643 461 A CB -0.133 18.636 19.000 -0.386 0.000 0.806 461 A HN 0.660 nan 8.150 nan 0.000 0.451 462 Q N -0.245 119.103 119.800 -0.753 0.000 2.389 462 Q HA 0.103 4.443 4.340 -0.000 0.000 0.204 462 Q C -0.059 175.867 176.000 -0.124 0.000 0.944 462 Q CA 0.627 56.110 55.803 -0.533 0.000 0.908 462 Q CB -0.304 28.304 28.738 -0.217 0.000 1.002 462 Q HN 0.423 nan 8.270 nan 0.000 0.493 463 S N 3.764 119.408 115.700 -0.093 0.000 2.449 463 S HA 0.464 4.934 4.470 -0.000 0.000 0.310 463 S C -2.470 172.120 174.600 -0.016 0.000 1.096 463 S CA -1.237 56.961 58.200 -0.002 0.000 1.095 463 S CB 1.795 65.007 63.200 0.019 0.000 1.007 463 S HN 0.132 nan 8.310 nan 0.000 0.474 464 P HA 0.238 nan 4.420 nan 0.000 0.269 464 P C -1.005 176.277 177.300 -0.030 0.000 1.215 464 P CA -0.219 62.832 63.100 -0.081 0.000 0.780 464 P CB 0.398 31.917 31.700 -0.302 0.000 0.898 465 F N 0.967 120.792 119.950 -0.210 0.000 2.565 465 F HA 0.700 5.227 4.527 -0.000 0.000 0.313 465 F C -0.036 175.698 175.800 -0.110 0.000 1.091 465 F CA 0.259 58.165 58.000 -0.157 0.000 0.915 465 F CB 2.247 41.116 39.000 -0.218 0.000 1.208 465 F HN 0.632 nan 8.300 nan 0.000 0.453 466 G N 1.897 110.429 108.800 -0.447 0.000 2.349 466 G HA2 0.473 4.433 3.960 -0.000 0.000 0.294 466 G HA3 0.473 4.433 3.960 -0.000 0.000 0.294 466 G C -1.640 173.118 174.900 -0.236 0.000 1.380 466 G CA -0.235 44.734 45.100 -0.219 0.000 0.811 466 G HN 0.983 nan 8.290 nan 0.000 0.519 467 G N -1.752 107.005 108.800 -0.071 0.000 2.441 467 G HA2 0.519 4.479 3.960 -0.000 0.000 0.334 467 G HA3 0.519 4.479 3.960 -0.000 0.000 0.334 467 G C -0.294 174.683 174.900 0.128 0.000 1.161 467 G CA -0.311 44.796 45.100 0.012 0.000 0.935 467 G HN 0.401 nan 8.290 nan 0.000 0.488 468 Y N -0.135 120.112 120.300 -0.090 0.000 2.503 468 Y HA 0.261 4.811 4.550 -0.000 0.000 0.277 468 Y C 1.972 177.848 175.900 -0.039 0.000 1.102 468 Y CA 0.627 58.683 58.100 -0.074 0.000 1.261 468 Y CB 0.506 38.916 38.460 -0.084 0.000 1.096 468 Y HN 0.473 nan 8.280 nan 0.000 0.546 469 K N -1.700 118.775 120.400 0.125 0.000 3.271 469 K HA 0.281 4.601 4.320 -0.000 0.000 0.309 469 K C 0.481 177.119 176.600 0.063 0.000 0.985 469 K CA -0.557 55.771 56.287 0.069 0.000 1.306 469 K CB -0.109 32.436 32.500 0.075 0.000 3.443 469 K HN -0.334 nan 8.250 nan 0.000 1.110 470 L N 2.876 124.149 121.223 0.082 0.000 2.675 470 L HA 0.039 4.379 4.340 -0.000 0.000 0.239 470 L C 1.317 178.308 176.870 0.202 0.000 1.151 470 L CA 1.295 56.187 54.840 0.086 0.000 0.905 470 L CB -1.154 40.931 42.059 0.043 0.000 1.057 470 L HN 0.508 nan 8.230 nan 0.000 0.435 471 S N -2.146 113.678 115.700 0.207 0.000 2.556 471 S HA 0.478 4.947 4.470 -0.000 0.000 0.216 471 S C 0.882 175.536 174.600 0.092 0.000 0.970 471 S CA 0.155 58.462 58.200 0.177 0.000 0.912 471 S CB 1.015 64.302 63.200 0.145 0.000 0.790 471 S HN 0.434 nan 8.310 nan 0.000 0.504 472 G N 0.521 109.360 108.800 0.065 0.000 2.352 472 G HA2 0.416 4.376 3.960 -0.000 0.000 0.283 472 G HA3 0.416 4.376 3.960 -0.000 0.000 0.283 472 G C -1.448 173.454 174.900 0.003 0.000 1.308 472 G CA -0.245 44.880 45.100 0.042 0.000 0.892 472 G HN 1.318 nan 8.290 nan 0.000 0.504 473 S N -1.485 114.213 115.700 -0.004 0.000 2.583 473 S HA 0.788 5.258 4.470 -0.000 0.000 0.294 473 S C 0.102 174.686 174.600 -0.026 0.000 1.121 473 S CA 0.639 58.818 58.200 -0.035 0.000 0.910 473 S CB 1.189 64.365 63.200 -0.040 0.000 1.102 473 S HN 3.065 nan 8.310 nan 0.000 0.451 474 G N 2.531 111.305 108.800 -0.044 0.000 2.705 474 G HA2 0.103 4.063 3.960 -0.000 0.000 0.686 474 G HA3 0.103 4.063 3.960 -0.000 0.000 0.686 474 G C -1.083 173.811 174.900 -0.011 0.000 1.285 474 G CA -1.056 44.029 45.100 -0.025 0.000 0.800 474 G HN 0.817 nan 8.290 nan 0.000 0.611 475 R N 0.276 120.780 120.500 0.006 0.000 2.643 475 R HA 0.557 4.897 4.340 -0.000 0.000 0.272 475 R C 0.985 177.315 176.300 0.050 0.000 0.995 475 R CA -0.786 55.315 56.100 0.001 0.000 1.032 475 R CB 1.343 31.606 30.300 -0.062 0.000 1.126 475 R HN 0.797 nan 8.270 nan 0.000 0.505 476 E N 0.454 120.670 120.200 0.026 0.000 2.511 476 E HA 0.244 4.594 4.350 -0.000 0.000 0.209 476 E C -0.013 176.524 176.600 -0.105 0.000 0.986 476 E CA 0.135 56.527 56.400 -0.014 0.000 0.974 476 E CB 0.645 30.335 29.700 -0.018 0.000 1.030 476 E HN 0.297 nan 8.360 nan 0.000 0.490 477 L N -1.357 119.820 121.223 -0.077 0.000 2.230 477 L HA 0.583 4.923 4.340 -0.000 0.000 0.255 477 L C 0.765 177.732 176.870 0.162 0.000 1.039 477 L CA -0.484 54.341 54.840 -0.024 0.000 0.846 477 L CB 1.428 43.315 42.059 -0.288 0.000 1.419 477 L HN 0.144 nan 8.230 nan 0.000 0.435 478 G N 0.228 109.109 108.800 0.136 0.000 2.641 478 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.254 478 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.254 478 G C 0.505 175.589 174.900 0.307 0.000 1.315 478 G CA 0.699 45.966 45.100 0.277 0.000 0.907 478 G HN 0.883 nan 8.290 nan 0.000 0.572 479 E N -0.953 119.381 120.200 0.225 0.000 2.153 479 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 479 E C 2.182 178.566 176.600 -0.360 0.000 0.988 479 E CA 1.745 57.954 56.400 -0.319 0.000 0.811 479 E CB -0.176 29.367 29.700 -0.262 0.000 0.746 479 E HN 0.628 nan 8.360 nan 0.000 0.466 480 Y N -0.142 120.112 120.300 -0.077 0.000 2.256 480 Y HA -0.080 4.470 4.550 -0.000 0.000 0.288 480 Y C 2.432 178.297 175.900 -0.059 0.000 1.155 480 Y CA 1.138 59.202 58.100 -0.061 0.000 1.203 480 Y CB -0.594 37.857 38.460 -0.016 0.000 0.980 480 Y HN 0.166 nan 8.280 nan 0.000 0.530 481 G N -0.416 108.476 108.800 0.154 0.000 2.559 481 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.216 481 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.216 481 G C 1.459 176.415 174.900 0.092 0.000 1.126 481 G CA 0.593 45.790 45.100 0.162 0.000 0.778 481 G HN 0.377 nan 8.290 nan 0.000 0.543 482 L N -0.721 120.411 121.223 -0.152 0.000 2.249 482 L HA 0.035 4.375 4.340 -0.000 0.000 0.207 482 L C 2.937 179.645 176.870 -0.270 0.000 1.090 482 L CA 0.327 54.956 54.840 -0.352 0.000 0.802 482 L CB -0.473 40.954 42.059 -1.052 0.000 0.947 482 L HN 0.233 nan 8.230 nan 0.000 0.453 483 Q N 0.734 120.386 119.800 -0.247 0.000 2.029 483 Q HA -0.272 4.068 4.340 -0.000 0.000 0.209 483 Q C 2.358 178.315 176.000 -0.072 0.000 0.999 483 Q CA 2.122 57.860 55.803 -0.108 0.000 0.857 483 Q CB -0.396 28.313 28.738 -0.048 0.000 0.926 483 Q HN 0.556 nan 8.270 nan 0.000 0.415 484 A N -0.145 122.627 122.820 -0.080 0.000 2.131 484 A HA -0.150 4.169 4.320 -0.000 0.000 0.220 484 A C 0.747 178.077 177.584 -0.423 0.000 1.158 484 A CA 1.056 52.950 52.037 -0.240 0.000 0.665 484 A CB -0.373 18.444 19.000 -0.305 0.000 0.795 484 A HN 0.436 nan 8.150 nan 0.000 0.460 485 Y N -0.389 119.866 120.300 -0.074 0.000 2.720 485 Y HA 0.312 4.861 4.550 -0.000 0.000 0.277 485 Y C 0.335 176.218 175.900 -0.028 0.000 1.144 485 Y CA -0.085 57.983 58.100 -0.053 0.000 1.221 485 Y CB 0.354 38.778 38.460 -0.060 0.000 1.163 485 Y HN 0.033 nan 8.280 nan 0.000 0.537 486 T N 0.196 114.776 114.554 0.043 0.000 2.893 486 T HA 0.399 4.749 4.350 -0.000 0.000 0.293 486 T C -1.249 173.464 174.700 0.023 0.000 1.027 486 T CA -0.699 61.437 62.100 0.059 0.000 0.988 486 T CB 2.150 71.053 68.868 0.059 0.000 1.043 486 T HN -0.052 nan 8.240 nan 0.000 0.461 487 E N 2.135 122.372 120.200 0.062 0.000 2.185 487 E HA 0.522 4.872 4.350 -0.000 0.000 0.261 487 E C -1.042 175.607 176.600 0.083 0.000 0.879 487 E CA -0.548 55.883 56.400 0.053 0.000 0.756 487 E CB 1.011 30.752 29.700 0.070 0.000 1.152 487 E HN 0.333 nan 8.360 nan 0.000 0.416 488 V N 4.753 124.707 119.914 0.067 0.000 2.583 488 V HA 0.320 4.440 4.120 -0.000 0.000 0.287 488 V C 0.145 176.281 176.094 0.069 0.000 1.051 488 V CA -0.266 62.106 62.300 0.121 0.000 1.010 488 V CB 1.188 33.070 31.823 0.097 0.000 0.988 488 V HN 0.572 nan 8.190 nan 0.000 0.478 489 K N 2.729 123.167 120.400 0.064 0.000 2.463 489 K HA 0.492 4.812 4.320 -0.000 0.000 0.255 489 K C -0.695 175.866 176.600 -0.064 0.000 0.942 489 K CA -0.361 55.926 56.287 -0.000 0.000 0.814 489 K CB 1.482 33.987 32.500 0.008 0.000 1.122 489 K HN 0.732 nan 8.250 nan 0.000 0.425 490 T N 3.004 117.492 114.554 -0.110 0.000 2.767 490 T HA 0.303 4.653 4.350 -0.000 0.000 0.288 490 T C -0.705 173.813 174.700 -0.303 0.000 0.963 490 T CA -0.545 61.434 62.100 -0.202 0.000 1.019 490 T CB 1.060 69.833 68.868 -0.158 0.000 0.923 490 T HN 0.261 nan 8.240 nan 0.000 0.468 491 V N 4.188 123.762 119.914 -0.566 0.000 2.350 491 V HA 0.391 4.511 4.120 -0.000 0.000 0.285 491 V C 0.197 175.878 176.094 -0.689 0.000 1.014 491 V CA -0.744 61.167 62.300 -0.648 0.000 0.831 491 V CB 1.589 32.884 31.823 -0.879 0.000 1.000 491 V HN 0.934 nan 8.190 nan 0.000 0.433 492 T N 4.908 119.244 114.554 -0.364 0.000 2.788 492 T HA 0.542 4.892 4.350 -0.000 0.000 0.296 492 T C -0.203 174.458 174.700 -0.066 0.000 1.009 492 T CA -0.275 61.687 62.100 -0.230 0.000 0.949 492 T CB 1.306 70.046 68.868 -0.213 0.000 0.946 492 T HN 0.345 nan 8.240 nan 0.000 0.453 493 V N 3.966 123.907 119.914 0.045 0.000 2.483 493 V HA 0.502 4.622 4.120 -0.000 0.000 0.295 493 V C 0.509 176.769 176.094 0.276 0.000 1.035 493 V CA -1.174 61.226 62.300 0.166 0.000 0.896 493 V CB 1.669 33.633 31.823 0.235 0.000 0.986 493 V HN 0.707 nan 8.190 nan 0.000 0.447 494 R N 2.392 123.023 120.500 0.217 0.000 2.438 494 R HA 0.609 4.949 4.340 -0.000 0.000 0.287 494 R C -0.990 175.321 176.300 0.018 0.000 1.077 494 R CA -0.115 56.031 56.100 0.076 0.000 1.034 494 R CB 1.330 31.654 30.300 0.041 0.000 0.993 494 R HN 0.566 nan 8.270 nan 0.000 0.459 495 V N 6.339 126.207 119.914 -0.076 0.000 2.769 495 V HA 0.346 4.466 4.120 -0.000 0.000 0.312 495 V C -1.868 174.175 176.094 -0.085 0.000 1.061 495 V CA -2.310 59.968 62.300 -0.037 0.000 0.931 495 V CB 2.180 34.003 31.823 -0.001 0.000 1.010 495 V HN 0.805 nan 8.190 nan 0.000 0.433 496 P HA -0.136 nan 4.420 nan 0.000 0.216 496 P C -0.281 176.978 177.300 -0.068 0.000 1.154 496 P CA 1.187 64.253 63.100 -0.057 0.000 0.865 496 P CB 0.155 31.831 31.700 -0.040 0.000 0.789 497 Q N -1.109 118.652 119.800 -0.065 0.000 2.536 497 Q HA 0.095 4.435 4.340 -0.000 0.000 0.231 497 Q C -1.164 174.805 176.000 -0.051 0.000 0.811 497 Q CA -0.553 55.213 55.803 -0.061 0.000 0.966 497 Q CB 1.056 29.766 28.738 -0.045 0.000 1.512 497 Q HN -0.072 nan 8.270 nan 0.000 0.456 498 K N 3.927 124.297 120.400 -0.049 0.000 2.326 498 K HA 0.280 4.600 4.320 -0.000 0.000 0.275 498 K C -0.923 175.668 176.600 -0.016 0.000 1.018 498 K CA 0.242 56.516 56.287 -0.022 0.000 0.962 498 K CB 0.607 33.106 32.500 -0.002 0.000 0.953 498 K HN 0.678 nan 8.250 nan 0.000 0.475 499 N N 0.952 119.644 118.700 -0.013 0.000 2.416 499 N HA 0.099 4.839 4.740 -0.000 0.000 0.276 499 N C -0.838 174.669 175.510 -0.005 0.000 1.261 499 N CA -0.548 52.495 53.050 -0.012 0.000 0.790 499 N CB 1.929 40.403 38.487 -0.022 0.000 1.554 499 N HN 0.724 nan 8.380 nan 0.000 0.481 500 S N 0.000 115.699 115.700 -0.002 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.201 58.200 0.002 0.000 1.107 500 S CB 0.000 63.201 63.200 0.002 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517