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 3fig_1_A DATA FIRST_RESID 18 DATA SEQUENCE TIVKPAGPPR VGQPSWNPQR ASSMPVNRYR PFAEEVEPIR LRNRTWPDRV DATA SEQUENCE IDRAPLWCAV DLRDGNQALI DPMSPARKRR MFDLLVRMGY KEIEVGFPSA DATA SEQUENCE SQTDFDFVRE IIEQGAIPDD VTIQVLTQCR PELIERTFQA CSGAPRAIVH DATA SEQUENCE FYNSTSILQR RVVFRANRAE VQAIATDGAR KCVEQAAKYP GTQWRFEYSP DATA SEQUENCE ESYTGTELEY AKQVCDAVGE VIAPTPERPI IFNLPATVEM TTPNVYADSI DATA SEQUENCE EWMSRNLANR ESVILSLHPH NDRGTAVAAA ELGFAAGADR IEGCLFGNGE DATA SEQUENCE RTGNVCLVTL GLNLFSRGVD PQIDFSNIDE IRRTVEYCNQ LPVHERHPYG DATA SEQUENCE GDLVYTAFSG SHQDAINKGL DAMKLDADAA DCDVDDMLWQ VPYLPIDPRD DATA SEQUENCE VGRTYEAVIX XXXXXXKGGV AYIMKTDHGL SLPRRLQIEF SQVIQKIXXX DATA SEQUENCE XXXXXXEVSP KEMWDAFAEE YLAPVRPLER IRQHVDAADD DGGTTSITAT DATA SEQUENCE VKINGVETEI SGSGNGPLAA FVHALADVGF DVAVLDYYEH AMSAGDDAQA DATA SEQUENCE AAYVEASVTI AXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXSKT DATA SEQUENCE VWGVGIAPSI TTASLRAVVS AVNRAA 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 18 T HA 0.000 nan 4.350 nan 0.000 0.228 18 T C 0.000 174.689 174.700 -0.018 0.000 1.109 18 T CA 0.000 62.085 62.100 -0.024 0.000 1.349 18 T CB 0.000 68.848 68.868 -0.033 0.000 0.612 19 I N 3.007 123.567 120.570 -0.017 0.000 2.436 19 I HA 0.382 4.550 4.170 -0.004 0.000 0.289 19 I C -0.150 175.959 176.117 -0.013 0.000 1.083 19 I CA -0.086 61.206 61.300 -0.013 0.000 1.372 19 I CB 0.978 38.973 38.000 -0.009 0.000 1.408 19 I HN 0.278 nan 8.210 nan 0.000 0.516 20 V N 7.339 127.247 119.914 -0.010 0.000 2.384 20 V HA 0.214 4.332 4.120 -0.004 0.000 0.287 20 V C 0.281 176.371 176.094 -0.007 0.000 1.020 20 V CA -1.132 61.163 62.300 -0.010 0.000 0.850 20 V CB 1.437 33.255 31.823 -0.009 0.000 0.987 20 V HN 0.602 nan 8.190 nan 0.000 0.436 21 K N 5.998 126.394 120.400 -0.007 0.000 2.473 21 K HA 0.043 4.360 4.320 -0.004 0.000 0.277 21 K C -2.161 174.436 176.600 -0.004 0.000 1.052 21 K CA -0.752 55.532 56.287 -0.005 0.000 1.114 21 K CB 0.222 32.719 32.500 -0.005 0.000 0.869 21 K HN 0.415 nan 8.250 nan 0.000 0.481 22 P HA -0.103 nan 4.420 nan 0.000 0.263 22 P C -0.828 176.470 177.300 -0.003 0.000 1.175 22 P CA 0.335 63.434 63.100 -0.002 0.000 0.761 22 P CB 1.033 32.732 31.700 -0.002 0.000 0.794 23 A N 2.698 125.515 122.820 -0.004 0.000 2.653 23 A HA 0.428 4.745 4.320 -0.004 0.000 0.248 23 A C 1.004 178.585 177.584 -0.005 0.000 1.211 23 A CA 0.386 52.421 52.037 -0.004 0.000 0.991 23 A CB -0.175 18.822 19.000 -0.004 0.000 1.252 23 A HN 0.604 nan 8.150 nan 0.000 0.593 24 G N 1.004 109.801 108.800 -0.005 0.000 2.544 24 G HA2 0.461 4.418 3.960 -0.004 0.000 0.242 24 G HA3 0.461 4.418 3.960 -0.004 0.000 0.242 24 G C -2.796 172.098 174.900 -0.009 0.000 1.247 24 G CA -0.969 44.127 45.100 -0.006 0.000 0.840 24 G HN 0.099 nan 8.290 nan 0.000 0.578 25 P HA 0.099 nan 4.420 nan 0.000 0.264 25 P C -1.968 175.320 177.300 -0.020 0.000 1.183 25 P CA -0.563 62.527 63.100 -0.015 0.000 0.763 25 P CB 0.297 31.988 31.700 -0.015 0.000 0.807 26 P HA 0.045 nan 4.420 nan 0.000 0.270 26 P C 0.213 177.490 177.300 -0.039 0.000 1.223 26 P CA -0.088 62.990 63.100 -0.037 0.000 0.785 26 P CB 0.570 32.239 31.700 -0.052 0.000 0.923 27 R N -0.001 120.474 120.500 -0.043 0.000 2.827 27 R HA 0.180 4.517 4.340 -0.004 0.000 0.269 27 R C 0.381 176.653 176.300 -0.048 0.000 1.048 27 R CA -0.363 55.714 56.100 -0.039 0.000 1.173 27 R CB -0.504 29.775 30.300 -0.035 0.000 1.070 27 R HN 0.521 nan 8.270 nan 0.000 0.498 28 V N 0.192 120.083 119.914 -0.038 0.000 2.572 28 V HA 0.536 4.653 4.120 -0.004 0.000 0.291 28 V C 1.592 177.656 176.094 -0.051 0.000 1.039 28 V CA 0.401 62.677 62.300 -0.040 0.000 1.055 28 V CB 0.364 32.170 31.823 -0.028 0.000 0.969 28 V HN 1.178 nan 8.190 nan 0.000 0.482 29 G N 2.245 111.007 108.800 -0.063 0.000 2.253 29 G HA2 -0.328 3.630 3.960 -0.004 0.000 0.251 29 G HA3 -0.328 3.630 3.960 -0.004 0.000 0.251 29 G C 0.450 175.277 174.900 -0.121 0.000 0.998 29 G CA 0.501 45.556 45.100 -0.076 0.000 0.621 29 G HN 1.359 nan 8.290 nan 0.000 0.524 30 Q N 2.182 121.902 119.800 -0.134 0.000 2.618 30 Q HA 0.247 4.584 4.340 -0.004 0.000 0.344 30 Q C -1.379 174.435 176.000 -0.311 0.000 1.073 30 Q CA -0.272 55.408 55.803 -0.206 0.000 1.105 30 Q CB 0.388 29.030 28.738 -0.160 0.000 1.028 30 Q HN 0.428 nan 8.270 nan 0.000 0.397 31 P HA 0.007 nan 4.420 nan 0.000 0.269 31 P C -0.058 176.863 177.300 -0.632 0.000 1.215 31 P CA 0.478 63.106 63.100 -0.786 0.000 0.780 31 P CB 0.695 31.351 31.700 -1.740 0.000 0.898 32 S N 1.819 117.267 115.700 -0.420 0.000 2.423 32 S HA -0.105 4.362 4.470 -0.004 0.000 0.231 32 S C 1.508 176.074 174.600 -0.056 0.000 1.014 32 S CA 0.822 58.927 58.200 -0.159 0.000 0.965 32 S CB -0.994 62.185 63.200 -0.035 0.000 0.785 32 S HN 0.750 nan 8.310 nan 0.000 0.495 33 W N 0.486 121.788 121.300 0.003 0.000 3.180 33 W HA 0.286 4.946 4.660 0.000 0.000 0.254 33 W C -0.058 176.463 176.519 0.003 0.000 1.318 33 W CA -0.214 57.133 57.345 0.003 0.000 1.608 33 W CB -0.369 29.093 29.460 0.003 0.000 1.124 33 W HN 0.266 nan 8.180 nan 0.000 0.694 34 N N 2.757 121.443 118.700 -0.024 0.000 2.621 34 N HA 0.203 4.940 4.740 -0.004 0.000 0.237 34 N C -2.123 173.368 175.510 -0.033 0.000 0.997 34 N CA -2.290 50.760 53.050 0.000 0.000 0.918 34 N CB 1.351 39.728 38.487 -0.182 0.000 1.122 34 N HN -0.220 nan 8.380 nan 0.000 0.510 35 P HA 0.077 nan 4.420 nan 0.000 0.257 35 P C -0.209 177.091 177.300 0.000 0.000 1.325 35 P CA 0.137 63.239 63.100 0.005 0.000 0.850 35 P CB 0.198 31.913 31.700 0.024 0.000 1.324 36 Q N 0.808 120.609 119.800 0.001 0.000 2.349 36 Q HA 0.094 4.432 4.340 -0.004 0.000 0.287 36 Q C 0.262 176.254 176.000 -0.012 0.000 1.044 36 Q CA 0.332 56.135 55.803 -0.000 0.000 0.918 36 Q CB 0.525 29.266 28.738 0.005 0.000 1.242 36 Q HN 0.029 nan 8.270 nan 0.000 0.405 37 R N 0.708 121.204 120.500 -0.007 0.000 2.787 37 R HA 0.565 4.903 4.340 -0.004 0.000 0.271 37 R C -0.705 175.591 176.300 -0.008 0.000 0.993 37 R CA -0.889 55.205 56.100 -0.010 0.000 0.993 37 R CB 0.971 31.267 30.300 -0.007 0.000 1.155 37 R HN 0.715 nan 8.270 nan 0.000 0.486 38 A N 1.209 124.024 122.820 -0.008 0.000 2.462 38 A HA 0.270 4.588 4.320 -0.004 0.000 0.243 38 A C 0.457 178.041 177.584 -0.002 0.000 1.076 38 A CA -0.043 51.991 52.037 -0.005 0.000 0.773 38 A CB 0.004 19.001 19.000 -0.005 0.000 1.010 38 A HN 0.769 nan 8.150 nan 0.000 0.493 39 S N 0.812 116.512 115.700 0.001 0.000 2.672 39 S HA 0.436 4.903 4.470 -0.004 0.000 0.276 39 S C 0.708 175.311 174.600 0.006 0.000 1.207 39 S CA 0.058 58.259 58.200 0.002 0.000 1.002 39 S CB 1.307 64.508 63.200 0.002 0.000 0.998 39 S HN 1.516 nan 8.310 nan 0.000 0.542 40 S N 1.110 116.813 115.700 0.006 0.000 2.614 40 S HA 0.274 4.741 4.470 -0.004 0.000 0.230 40 S C 0.523 175.133 174.600 0.018 0.000 0.952 40 S CA -0.642 57.564 58.200 0.010 0.000 0.949 40 S CB -0.729 62.475 63.200 0.006 0.000 0.786 40 S HN 0.695 nan 8.310 nan 0.000 0.478 41 M N 3.347 122.959 119.600 0.020 0.000 2.248 41 M HA 0.177 4.654 4.480 -0.004 0.000 0.345 41 M C -2.103 174.232 176.300 0.057 0.000 1.243 41 M CA -1.125 54.194 55.300 0.032 0.000 1.090 41 M CB -0.108 32.502 32.600 0.017 0.000 1.683 41 M HN 0.033 nan 8.290 nan 0.000 0.450 42 P HA 0.066 nan 4.420 nan 0.000 0.230 42 P C 0.860 178.276 177.300 0.194 0.000 1.791 42 P CA -0.105 63.061 63.100 0.109 0.000 1.020 42 P CB -0.618 31.142 31.700 0.100 0.000 1.977 43 V N 0.172 120.179 119.914 0.154 0.000 2.867 43 V HA -0.227 3.890 4.120 -0.004 0.000 0.260 43 V C 1.603 177.802 176.094 0.174 0.000 1.099 43 V CA 1.881 64.300 62.300 0.198 0.000 1.122 43 V CB -1.550 30.336 31.823 0.104 0.000 0.708 43 V HN 0.252 nan 8.190 nan 0.000 0.490 44 N N 1.218 119.968 118.700 0.083 0.000 2.521 44 N HA -0.097 4.640 4.740 -0.004 0.000 0.188 44 N C 1.613 177.086 175.510 -0.062 0.000 1.146 44 N CA 0.938 53.998 53.050 0.018 0.000 0.893 44 N CB -0.774 37.713 38.487 0.000 0.000 0.975 44 N HN 0.576 nan 8.380 nan 0.000 0.451 45 R N -1.081 119.331 120.500 -0.147 0.000 2.310 45 R HA 0.131 4.468 4.340 -0.004 0.000 0.202 45 R C -0.400 175.392 176.300 -0.847 0.000 0.933 45 R CA 0.282 56.086 56.100 -0.492 0.000 1.054 45 R CB -0.011 29.912 30.300 -0.629 0.000 0.985 45 R HN 0.283 nan 8.270 nan 0.000 0.489 46 Y N -0.049 120.255 120.300 0.007 0.000 2.462 46 Y HA 0.450 4.996 4.550 -0.006 0.000 0.346 46 Y C 0.067 175.976 175.900 0.015 0.000 0.976 46 Y CA -1.162 56.946 58.100 0.014 0.000 1.044 46 Y CB 1.555 40.026 38.460 0.018 0.000 1.230 46 Y HN -0.291 nan 8.280 nan 0.000 0.455 47 R N 2.022 122.598 120.500 0.125 0.000 2.778 47 R HA 0.567 4.904 4.340 -0.004 0.000 0.277 47 R C -2.723 173.638 176.300 0.102 0.000 0.977 47 R CA -2.125 54.022 56.100 0.077 0.000 0.950 47 R CB 1.010 31.323 30.300 0.021 0.000 1.165 47 R HN 0.377 nan 8.270 nan 0.000 0.474 48 P HA -0.097 nan 4.420 nan 0.000 0.267 48 P C 0.113 177.493 177.300 0.134 0.000 1.201 48 P CA 0.027 63.194 63.100 0.111 0.000 0.775 48 P CB 0.369 32.119 31.700 0.083 0.000 0.854 49 F N 2.480 122.444 119.950 0.024 0.000 2.126 49 F HA -0.236 4.288 4.527 -0.005 0.000 0.299 49 F C 2.181 177.981 175.800 -0.000 0.000 1.096 49 F CA 2.147 60.155 58.000 0.014 0.000 1.255 49 F CB -0.763 38.245 39.000 0.015 0.000 0.997 49 F HN 0.362 nan 8.300 nan 0.000 0.479 50 A N -0.270 122.592 122.820 0.069 0.000 1.986 50 A HA -0.282 4.035 4.320 -0.004 0.000 0.220 50 A C 2.190 179.693 177.584 -0.135 0.000 1.171 50 A CA 2.073 54.078 52.037 -0.053 0.000 0.640 50 A CB -0.923 18.099 19.000 0.037 0.000 0.811 50 A HN 0.692 nan 8.150 nan 0.000 0.451 51 E N -0.875 119.269 120.200 -0.094 0.000 2.251 51 E HA -0.098 4.249 4.350 -0.004 0.000 0.194 51 E C 1.821 178.345 176.600 -0.126 0.000 0.964 51 E CA 0.792 57.138 56.400 -0.091 0.000 0.868 51 E CB -0.172 29.505 29.700 -0.038 0.000 0.828 51 E HN 0.443 nan 8.360 nan 0.000 0.481 52 E N 0.408 120.524 120.200 -0.140 0.000 2.085 52 E HA -0.142 4.206 4.350 -0.004 0.000 0.194 52 E C 1.465 177.917 176.600 -0.247 0.000 0.994 52 E CA 1.939 58.249 56.400 -0.151 0.000 0.801 52 E CB 0.217 29.865 29.700 -0.085 0.000 0.743 52 E HN 0.242 nan 8.360 nan 0.000 0.453 53 V N -1.045 118.590 119.914 -0.464 0.000 3.938 53 V HA 0.267 4.385 4.120 -0.004 0.000 0.193 53 V C 0.112 175.965 176.094 -0.401 0.000 1.148 53 V CA 0.420 62.423 62.300 -0.496 0.000 1.354 53 V CB 0.195 31.529 31.823 -0.815 0.000 1.627 53 V HN 0.405 nan 8.190 nan 0.000 0.512 54 E N 0.755 120.657 120.200 -0.496 0.000 2.401 54 E HA 0.404 4.751 4.350 -0.004 0.000 0.280 54 E C -3.238 173.247 176.600 -0.192 0.000 1.039 54 E CA -1.747 54.491 56.400 -0.270 0.000 0.814 54 E CB 2.082 31.654 29.700 -0.212 0.000 1.275 54 E HN 0.236 nan 8.360 nan 0.000 0.448 55 P HA 0.162 nan 4.420 nan 0.000 0.272 55 P C 0.227 177.516 177.300 -0.019 0.000 1.230 55 P CA -0.266 62.822 63.100 -0.020 0.000 0.788 55 P CB 0.457 32.147 31.700 -0.016 0.000 0.949 56 I N 2.662 123.255 120.570 0.038 0.000 2.872 56 I HA -0.112 4.056 4.170 -0.004 0.000 0.287 56 I C 1.968 178.065 176.117 -0.033 0.000 1.197 56 I CA 0.426 61.744 61.300 0.030 0.000 1.390 56 I CB -0.017 38.035 38.000 0.087 0.000 1.400 56 I HN 0.276 nan 8.210 nan 0.000 0.544 57 R N 4.405 124.810 120.500 -0.158 0.000 2.237 57 R HA -0.042 4.296 4.340 -0.004 0.000 0.219 57 R C 0.348 176.676 176.300 0.046 0.000 1.080 57 R CA 0.596 56.565 56.100 -0.218 0.000 0.995 57 R CB -0.173 29.630 30.300 -0.829 0.000 0.875 57 R HN 0.423 nan 8.270 nan 0.000 0.462 58 L N 2.275 123.580 121.223 0.137 0.000 2.265 58 L HA 0.179 4.516 4.340 -0.004 0.000 0.288 58 L C -0.306 176.673 176.870 0.181 0.000 1.058 58 L CA -0.214 54.792 54.840 0.277 0.000 0.809 58 L CB 0.753 43.003 42.059 0.319 0.000 1.179 58 L HN -0.138 nan 8.230 nan 0.000 0.429 59 R N 4.063 124.667 120.500 0.173 0.000 2.368 59 R HA 0.320 4.657 4.340 -0.004 0.000 0.302 59 R C -0.160 176.185 176.300 0.075 0.000 1.002 59 R CA -0.752 55.411 56.100 0.104 0.000 0.929 59 R CB 0.585 30.943 30.300 0.096 0.000 1.073 59 R HN 0.703 nan 8.270 nan 0.000 0.464 60 N N 1.316 120.038 118.700 0.036 0.000 2.696 60 N HA -0.205 4.533 4.740 -0.004 0.000 0.256 60 N C -0.521 174.983 175.510 -0.009 0.000 1.031 60 N CA 0.819 53.871 53.050 0.003 0.000 0.730 60 N CB -0.868 37.620 38.487 0.002 0.000 0.894 60 N HN 0.607 nan 8.380 nan 0.000 0.544 61 R N -1.460 119.023 120.500 -0.029 0.000 2.698 61 R HA 0.209 4.547 4.340 -0.004 0.000 0.266 61 R C 1.110 177.297 176.300 -0.188 0.000 1.026 61 R CA 0.774 56.823 56.100 -0.086 0.000 1.102 61 R CB 0.187 30.356 30.300 -0.218 0.000 0.978 61 R HN 0.356 nan 8.270 nan 0.000 0.436 62 T N -1.884 112.581 114.554 -0.147 0.000 2.958 62 T HA -0.012 4.336 4.350 -0.004 0.000 0.256 62 T C 1.511 176.134 174.700 -0.128 0.000 0.983 62 T CA -0.344 61.675 62.100 -0.135 0.000 0.924 62 T CB -0.154 68.690 68.868 -0.041 0.000 1.136 62 T HN 0.829 nan 8.240 nan 0.000 0.506 63 W N 2.420 123.718 121.300 -0.003 0.000 2.325 63 W HA 0.008 4.664 4.660 -0.006 0.000 0.299 63 W C -1.805 174.715 176.519 0.001 0.000 1.215 63 W CA 0.978 58.319 57.345 -0.006 0.000 1.244 63 W CB -2.294 27.170 29.460 0.006 0.000 1.140 63 W HN 0.313 nan 8.180 nan 0.000 0.523 64 P HA -0.116 nan 4.420 nan 0.000 0.221 64 P C 0.797 178.008 177.300 -0.147 0.000 1.145 64 P CA 2.027 64.866 63.100 -0.434 0.000 0.795 64 P CB -0.248 31.047 31.700 -0.675 0.000 0.775 65 D N -2.207 118.118 120.400 -0.124 0.000 2.395 65 D HA 0.037 4.675 4.640 -0.004 0.000 0.213 65 D C 0.157 176.443 176.300 -0.023 0.000 1.110 65 D CA 0.160 54.121 54.000 -0.065 0.000 0.835 65 D CB 0.389 41.143 40.800 -0.077 0.000 0.965 65 D HN -0.016 nan 8.370 nan 0.000 0.505 66 R N 0.597 121.103 120.500 0.010 0.000 2.294 66 R HA 0.480 4.817 4.340 -0.004 0.000 0.319 66 R C -0.140 176.180 176.300 0.033 0.000 0.984 66 R CA -0.485 55.623 56.100 0.014 0.000 0.861 66 R CB 1.735 32.044 30.300 0.015 0.000 1.104 66 R HN -0.093 nan 8.270 nan 0.000 0.451 67 V N 4.937 124.859 119.914 0.014 0.000 2.398 67 V HA 0.412 4.529 4.120 -0.004 0.000 0.286 67 V C 0.783 176.883 176.094 0.009 0.000 1.026 67 V CA -0.809 61.509 62.300 0.028 0.000 0.868 67 V CB 1.578 33.417 31.823 0.027 0.000 0.982 67 V HN 0.747 nan 8.190 nan 0.000 0.443 68 I N 5.233 125.822 120.570 0.031 0.000 2.741 68 I HA 0.006 4.173 4.170 -0.004 0.000 0.288 68 I C 0.716 176.864 176.117 0.052 0.000 1.192 68 I CA 0.611 61.930 61.300 0.031 0.000 1.426 68 I CB 0.473 38.567 38.000 0.156 0.000 1.367 68 I HN 0.884 nan 8.210 nan 0.000 0.563 69 D N 5.162 125.582 120.400 0.034 0.000 2.525 69 D HA 0.098 4.736 4.640 -0.004 0.000 0.231 69 D C 0.118 176.460 176.300 0.070 0.000 1.216 69 D CA -0.411 53.617 54.000 0.046 0.000 0.813 69 D CB 0.396 41.206 40.800 0.017 0.000 1.108 69 D HN 0.536 nan 8.370 nan 0.000 0.524 70 R N -0.703 119.866 120.500 0.115 0.000 2.855 70 R HA 0.844 5.182 4.340 -0.004 0.000 0.266 70 R C -0.997 175.436 176.300 0.221 0.000 1.034 70 R CA -1.247 54.936 56.100 0.138 0.000 0.944 70 R CB 1.120 31.481 30.300 0.102 0.000 1.219 70 R HN -0.072 nan 8.270 nan 0.000 0.474 71 A N 1.797 124.685 122.820 0.113 0.000 2.340 71 A HA 0.556 4.873 4.320 -0.004 0.000 0.268 71 A C -2.079 175.314 177.584 -0.318 0.000 1.100 71 A CA -1.521 50.495 52.037 -0.037 0.000 0.803 71 A CB -0.042 18.989 19.000 0.051 0.000 1.043 71 A HN 0.615 nan 8.150 nan 0.000 0.488 72 P HA 0.286 nan 4.420 nan 0.000 0.279 72 P C -0.537 176.154 177.300 -1.015 0.000 1.282 72 P CA -0.593 61.791 63.100 -1.192 0.000 0.788 72 P CB 0.396 30.966 31.700 -1.884 0.000 1.139 73 L N 0.897 121.735 121.223 -0.642 0.000 2.361 73 L HA 0.254 4.591 4.340 -0.004 0.000 0.278 73 L C -0.879 175.749 176.870 -0.404 0.000 1.113 73 L CA -0.138 54.457 54.840 -0.407 0.000 0.849 73 L CB -0.729 41.215 42.059 -0.191 0.000 1.155 73 L HN 0.244 nan 8.230 nan 0.000 0.452 74 W N 4.827 126.113 121.300 -0.023 0.000 2.438 74 W HA 0.567 5.224 4.660 -0.005 0.000 0.324 74 W C -0.302 176.255 176.519 0.062 0.000 1.119 74 W CA -0.588 56.789 57.345 0.054 0.000 1.221 74 W CB 1.406 31.023 29.460 0.262 0.000 1.253 74 W HN 0.643 nan 8.180 nan 0.000 0.555 75 C N 3.332 122.778 119.300 0.244 0.000 2.431 75 C HA 0.851 5.309 4.460 -0.004 0.000 0.321 75 C C 0.014 174.983 174.990 -0.036 0.000 1.202 75 C CA -0.591 58.488 59.018 0.101 0.000 1.398 75 C CB -0.587 27.181 27.740 0.046 0.000 2.047 75 C HN 0.755 nan 8.230 nan 0.000 0.465 76 A N 4.538 127.252 122.820 -0.176 0.000 2.276 76 A HA 0.547 4.864 4.320 -0.004 0.000 0.300 76 A C 0.603 178.101 177.584 -0.143 0.000 1.235 76 A CA 0.020 51.864 52.037 -0.321 0.000 0.867 76 A CB 0.512 19.157 19.000 -0.593 0.000 1.137 76 A HN 1.920 nan 8.150 nan 0.000 0.527 77 V N 0.104 119.948 119.914 -0.116 0.000 3.271 77 V HA 0.151 4.269 4.120 -0.004 0.000 0.327 77 V C 0.629 176.703 176.094 -0.032 0.000 1.389 77 V CA 0.571 62.854 62.300 -0.028 0.000 1.156 77 V CB -0.830 31.016 31.823 0.038 0.000 1.103 77 V HN 0.672 nan 8.190 nan 0.000 0.453 78 D N 2.006 122.358 120.400 -0.080 0.000 2.133 78 D HA -0.222 4.416 4.640 -0.004 0.000 0.192 78 D C 1.830 178.109 176.300 -0.035 0.000 1.001 78 D CA 2.037 55.999 54.000 -0.064 0.000 0.844 78 D CB -0.363 40.382 40.800 -0.092 0.000 0.944 78 D HN 0.489 nan 8.370 nan 0.000 0.447 79 L N -0.477 120.735 121.223 -0.019 0.000 2.549 79 L HA -0.027 4.310 4.340 -0.004 0.000 0.229 79 L C 2.282 179.141 176.870 -0.017 0.000 1.158 79 L CA 0.427 55.244 54.840 -0.037 0.000 0.842 79 L CB -0.041 42.018 42.059 0.000 0.000 0.952 79 L HN 0.045 nan 8.230 nan 0.000 0.452 80 R N -0.812 119.703 120.500 0.025 0.000 3.609 80 R HA -0.004 4.333 4.340 -0.004 0.000 0.149 80 R C 1.475 177.813 176.300 0.064 0.000 0.948 80 R CA 0.431 56.568 56.100 0.062 0.000 1.014 80 R CB -0.482 29.875 30.300 0.095 0.000 1.404 80 R HN -0.014 nan 8.270 nan 0.000 0.493 81 D N 0.207 120.647 120.400 0.066 0.000 2.097 81 D HA -0.078 4.559 4.640 -0.004 0.000 0.195 81 D C 1.565 177.895 176.300 0.050 0.000 0.989 81 D CA 1.754 55.801 54.000 0.078 0.000 0.827 81 D CB -0.297 40.566 40.800 0.104 0.000 0.966 81 D HN 0.461 nan 8.370 nan 0.000 0.456 82 G N 0.560 109.370 108.800 0.016 0.000 2.511 82 G HA2 -0.360 3.598 3.960 -0.004 0.000 0.216 82 G HA3 -0.360 3.598 3.960 -0.004 0.000 0.216 82 G C 1.649 176.549 174.900 0.000 0.000 1.218 82 G CA 1.115 46.216 45.100 0.001 0.000 0.788 82 G HN 0.295 nan 8.290 nan 0.000 0.560 83 N N 0.581 119.273 118.700 -0.013 0.000 2.069 83 N HA -0.219 4.518 4.740 -0.004 0.000 0.196 83 N C 2.208 177.717 175.510 -0.001 0.000 1.024 83 N CA 2.084 55.119 53.050 -0.024 0.000 0.869 83 N CB -0.457 38.001 38.487 -0.049 0.000 1.035 83 N HN 0.421 nan 8.380 nan 0.000 0.434 84 Q N -0.485 119.330 119.800 0.026 0.000 2.308 84 Q HA -0.018 4.320 4.340 -0.004 0.000 0.209 84 Q C 1.471 177.491 176.000 0.034 0.000 0.985 84 Q CA 1.816 57.644 55.803 0.042 0.000 0.881 84 Q CB -0.437 28.346 28.738 0.075 0.000 0.917 84 Q HN 0.469 nan 8.270 nan 0.000 0.443 85 A N -0.452 122.386 122.820 0.030 0.000 2.208 85 A HA 0.223 4.541 4.320 -0.004 0.000 0.209 85 A C 0.202 177.794 177.584 0.013 0.000 1.161 85 A CA -0.075 51.979 52.037 0.029 0.000 0.782 85 A CB -0.040 18.981 19.000 0.035 0.000 0.816 85 A HN 0.332 nan 8.150 nan 0.000 0.477 86 L N -0.101 121.123 121.223 0.002 0.000 2.307 86 L HA 0.357 4.694 4.340 -0.004 0.000 0.282 86 L C 1.053 177.916 176.870 -0.011 0.000 1.051 86 L CA -0.610 54.223 54.840 -0.011 0.000 0.804 86 L CB 1.194 43.236 42.059 -0.028 0.000 1.197 86 L HN 0.213 nan 8.230 nan 0.000 0.431 87 I N 0.323 120.887 120.570 -0.011 0.000 2.163 87 I HA -0.182 3.985 4.170 -0.004 0.000 0.243 87 I C 0.237 176.344 176.117 -0.016 0.000 1.085 87 I CA 1.418 62.712 61.300 -0.011 0.000 1.347 87 I CB -0.151 37.843 38.000 -0.010 0.000 1.044 87 I HN 0.644 nan 8.210 nan 0.000 0.408 88 D N 2.440 122.824 120.400 -0.027 0.000 2.441 88 D HA 0.291 4.928 4.640 -0.004 0.000 0.231 88 D C -2.334 173.938 176.300 -0.047 0.000 1.073 88 D CA -1.297 52.682 54.000 -0.035 0.000 0.850 88 D CB 1.162 41.937 40.800 -0.043 0.000 1.062 88 D HN 0.023 nan 8.370 nan 0.000 0.524 89 P HA 0.069 nan 4.420 nan 0.000 0.272 89 P C 0.343 177.599 177.300 -0.074 0.000 1.230 89 P CA -0.339 62.731 63.100 -0.049 0.000 0.788 89 P CB 0.826 32.506 31.700 -0.033 0.000 0.949 90 M N 0.897 120.440 119.600 -0.094 0.000 2.252 90 M HA 0.039 4.517 4.480 -0.004 0.000 0.348 90 M C 1.017 177.259 176.300 -0.097 0.000 1.334 90 M CA 0.402 55.629 55.300 -0.122 0.000 1.071 90 M CB -0.152 32.359 32.600 -0.148 0.000 1.763 90 M HN 0.391 nan 8.290 nan 0.000 0.452 91 S N 3.466 119.115 115.700 -0.086 0.000 2.584 91 S HA 0.189 4.656 4.470 -0.004 0.000 0.270 91 S C -1.951 172.627 174.600 -0.037 0.000 1.346 91 S CA -1.220 56.955 58.200 -0.042 0.000 1.018 91 S CB 0.261 63.447 63.200 -0.024 0.000 0.899 91 S HN 0.477 nan 8.310 nan 0.000 0.542 92 P HA -0.187 nan 4.420 nan 0.000 0.218 92 P C 1.538 178.883 177.300 0.076 0.000 1.152 92 P CA 2.137 65.270 63.100 0.055 0.000 0.857 92 P CB -0.257 31.497 31.700 0.090 0.000 0.787 93 A N -0.532 122.329 122.820 0.069 0.000 1.898 93 A HA -0.202 4.115 4.320 -0.004 0.000 0.216 93 A C 2.259 179.908 177.584 0.109 0.000 1.181 93 A CA 1.575 53.673 52.037 0.103 0.000 0.620 93 A CB -0.973 18.099 19.000 0.119 0.000 0.819 93 A HN 0.083 nan 8.150 nan 0.000 0.442 94 R N -0.170 120.346 120.500 0.027 0.000 2.092 94 R HA -0.063 4.274 4.340 -0.004 0.000 0.231 94 R C 2.188 178.470 176.300 -0.031 0.000 1.119 94 R CA 1.549 57.624 56.100 -0.042 0.000 0.970 94 R CB -0.222 29.940 30.300 -0.229 0.000 0.864 94 R HN 0.517 nan 8.270 nan 0.000 0.440 95 K N 0.104 120.449 120.400 -0.092 0.000 2.026 95 K HA -0.169 4.148 4.320 -0.004 0.000 0.208 95 K C 2.198 178.838 176.600 0.065 0.000 1.048 95 K CA 1.295 57.463 56.287 -0.197 0.000 0.929 95 K CB -0.148 31.963 32.500 -0.648 0.000 0.713 95 K HN 0.046 nan 8.250 nan 0.000 0.439 96 R N 0.788 121.405 120.500 0.195 0.000 2.081 96 R HA -0.142 4.196 4.340 -0.004 0.000 0.235 96 R C 2.600 179.060 176.300 0.265 0.000 1.131 96 R CA 1.356 57.647 56.100 0.317 0.000 0.960 96 R CB -0.071 30.372 30.300 0.238 0.000 0.856 96 R HN -0.058 nan 8.270 nan 0.000 0.436 97 R N -0.005 120.609 120.500 0.190 0.000 2.083 97 R HA -0.129 4.209 4.340 -0.004 0.000 0.237 97 R C 2.157 178.544 176.300 0.145 0.000 1.137 97 R CA 1.943 58.145 56.100 0.170 0.000 0.951 97 R CB -0.801 29.627 30.300 0.213 0.000 0.851 97 R HN 0.359 nan 8.270 nan 0.000 0.434 98 M N -0.396 119.279 119.600 0.124 0.000 2.086 98 M HA 0.059 4.536 4.480 -0.004 0.000 0.261 98 M C 1.891 178.258 176.300 0.112 0.000 1.067 98 M CA 1.707 57.056 55.300 0.083 0.000 1.116 98 M CB -0.970 31.647 32.600 0.029 0.000 1.348 98 M HN 0.375 nan 8.290 nan 0.000 0.407 99 F N 1.147 121.146 119.950 0.082 0.000 2.091 99 F HA -0.293 4.232 4.527 -0.005 0.000 0.299 99 F C 1.743 177.594 175.800 0.084 0.000 1.103 99 F CA 2.445 60.521 58.000 0.126 0.000 1.228 99 F CB -0.633 38.525 39.000 0.263 0.000 0.984 99 F HN 0.253 nan 8.300 nan 0.000 0.477 100 D N 0.152 120.635 120.400 0.138 0.000 2.144 100 D HA -0.158 4.479 4.640 -0.004 0.000 0.200 100 D C 2.225 178.498 176.300 -0.046 0.000 0.978 100 D CA 1.282 55.303 54.000 0.036 0.000 0.833 100 D CB -0.702 40.163 40.800 0.109 0.000 0.961 100 D HN 0.345 nan 8.370 nan 0.000 0.470 101 L N 0.588 121.801 121.223 -0.016 0.000 2.017 101 L HA -0.102 4.235 4.340 -0.004 0.000 0.208 101 L C 2.087 178.925 176.870 -0.053 0.000 1.073 101 L CA 1.418 56.243 54.840 -0.026 0.000 0.745 101 L CB -0.568 41.495 42.059 0.008 0.000 0.894 101 L HN -0.017 nan 8.230 nan 0.000 0.432 102 L N -1.705 119.471 121.223 -0.078 0.000 2.017 102 L HA -0.194 4.143 4.340 -0.004 0.000 0.208 102 L C 2.468 179.328 176.870 -0.017 0.000 1.073 102 L CA 1.121 55.955 54.840 -0.010 0.000 0.745 102 L CB -0.791 41.180 42.059 -0.147 0.000 0.894 102 L HN 0.113 nan 8.230 nan 0.000 0.432 103 V N -0.032 119.746 119.914 -0.226 0.000 2.252 103 V HA -0.349 3.768 4.120 -0.004 0.000 0.249 103 V C 2.664 178.664 176.094 -0.156 0.000 1.056 103 V CA 2.007 64.168 62.300 -0.231 0.000 1.022 103 V CB -0.615 31.023 31.823 -0.308 0.000 0.641 103 V HN 0.396 nan 8.190 nan 0.000 0.445 104 R N -1.084 119.335 120.500 -0.135 0.000 2.092 104 R HA -0.063 4.275 4.340 -0.004 0.000 0.231 104 R C 2.349 178.541 176.300 -0.179 0.000 1.119 104 R CA 1.492 57.514 56.100 -0.129 0.000 0.970 104 R CB -0.283 29.959 30.300 -0.096 0.000 0.864 104 R HN 0.458 nan 8.270 nan 0.000 0.440 105 M N -1.443 118.037 119.600 -0.200 0.000 2.279 105 M HA -0.052 4.425 4.480 -0.004 0.000 0.264 105 M C 1.084 177.086 176.300 -0.498 0.000 1.062 105 M CA 1.708 56.795 55.300 -0.356 0.000 1.099 105 M CB 0.329 32.745 32.600 -0.307 0.000 1.394 105 M HN 0.533 nan 8.290 nan 0.000 0.426 106 G N -1.267 107.286 108.800 -0.411 0.000 2.183 106 G HA2 -0.180 3.777 3.960 -0.004 0.000 0.168 106 G HA3 -0.180 3.777 3.960 -0.004 0.000 0.168 106 G C -0.404 174.249 174.900 -0.411 0.000 1.008 106 G CA -0.802 44.064 45.100 -0.390 0.000 0.677 106 G HN 0.368 nan 8.290 nan 0.000 0.498 107 Y N 0.903 121.107 120.300 -0.160 0.000 2.511 107 Y HA 0.434 4.981 4.550 -0.004 0.000 0.332 107 Y C 1.542 177.389 175.900 -0.089 0.000 1.177 107 Y CA 0.235 58.275 58.100 -0.101 0.000 1.422 107 Y CB 0.853 39.235 38.460 -0.129 0.000 1.271 107 Y HN -0.105 nan 8.280 nan 0.000 0.550 108 K N 1.499 121.965 120.400 0.109 0.000 2.380 108 K HA 0.190 4.507 4.320 -0.004 0.000 0.198 108 K C -0.441 176.192 176.600 0.054 0.000 1.070 108 K CA 0.265 56.577 56.287 0.042 0.000 1.040 108 K CB 0.702 33.214 32.500 0.020 0.000 0.903 108 K HN 0.721 nan 8.250 nan 0.000 0.549 109 E N 0.661 120.920 120.200 0.099 0.000 2.260 109 E HA 0.459 4.806 4.350 -0.004 0.000 0.266 109 E C -0.969 175.671 176.600 0.067 0.000 0.887 109 E CA -0.327 56.116 56.400 0.071 0.000 0.777 109 E CB 2.201 31.933 29.700 0.055 0.000 1.205 109 E HN -0.057 nan 8.360 nan 0.000 0.414 110 I N 2.268 122.880 120.570 0.071 0.000 2.534 110 I HA 0.159 4.327 4.170 -0.004 0.000 0.286 110 I C -0.455 175.735 176.117 0.122 0.000 1.094 110 I CA -0.550 60.796 61.300 0.076 0.000 1.055 110 I CB 2.128 40.188 38.000 0.100 0.000 1.225 110 I HN 0.435 nan 8.210 nan 0.000 0.435 111 E N 4.874 125.129 120.200 0.092 0.000 2.257 111 E HA 0.184 4.531 4.350 -0.004 0.000 0.278 111 E C 0.638 177.329 176.600 0.152 0.000 1.049 111 E CA -0.212 56.255 56.400 0.112 0.000 0.876 111 E CB 1.188 30.946 29.700 0.097 0.000 1.035 111 E HN 0.582 nan 8.360 nan 0.000 0.419 112 V N 1.257 121.280 119.914 0.182 0.000 3.643 112 V HA 0.563 4.680 4.120 -0.004 0.000 0.280 112 V C 0.573 176.808 176.094 0.234 0.000 1.351 112 V CA 0.506 62.965 62.300 0.267 0.000 1.073 112 V CB 0.133 32.143 31.823 0.312 0.000 0.863 112 V HN 0.650 nan 8.190 nan 0.000 0.436 113 G N -0.522 108.383 108.800 0.175 0.000 2.320 113 G HA2 0.366 4.323 3.960 -0.004 0.000 0.297 113 G HA3 0.366 4.323 3.960 -0.004 0.000 0.297 113 G C -1.602 173.438 174.900 0.233 0.000 1.344 113 G CA -0.388 44.828 45.100 0.194 0.000 0.851 113 G HN 0.196 nan 8.290 nan 0.000 0.567 114 F N 2.533 122.548 119.950 0.107 0.000 2.523 114 F HA 0.384 4.908 4.527 -0.005 0.000 0.322 114 F C -1.362 174.521 175.800 0.139 0.000 1.361 114 F CA -2.382 55.690 58.000 0.119 0.000 1.151 114 F CB 1.968 41.037 39.000 0.114 0.000 1.391 114 F HN 0.266 nan 8.300 nan 0.000 0.566 115 P HA -0.186 nan 4.420 nan 0.000 0.220 115 P C 1.643 179.180 177.300 0.396 0.000 1.148 115 P CA 1.366 64.673 63.100 0.344 0.000 0.803 115 P CB 0.081 31.901 31.700 0.201 0.000 0.782 116 S N -0.171 115.753 115.700 0.373 0.000 2.447 116 S HA 0.019 4.486 4.470 -0.004 0.000 0.233 116 S C 1.870 176.507 174.600 0.061 0.000 1.006 116 S CA 0.995 59.352 58.200 0.262 0.000 0.957 116 S CB -0.849 62.534 63.200 0.304 0.000 0.773 116 S HN 0.164 nan 8.310 nan 0.000 0.507 117 A N -0.251 122.498 122.820 -0.118 0.000 2.469 117 A HA 0.626 4.943 4.320 -0.004 0.000 0.245 117 A C 0.733 178.215 177.584 -0.169 0.000 1.221 117 A CA 0.114 51.963 52.037 -0.314 0.000 0.946 117 A CB 0.391 18.873 19.000 -0.864 0.000 1.049 117 A HN 0.446 nan 8.150 nan 0.000 0.529 118 S N -0.683 115.002 115.700 -0.025 0.000 2.720 118 S HA 0.368 4.836 4.470 -0.004 0.000 0.278 118 S C 0.332 174.998 174.600 0.110 0.000 1.172 118 S CA -0.358 57.857 58.200 0.026 0.000 1.019 118 S CB 1.570 64.792 63.200 0.037 0.000 1.049 118 S HN 0.248 nan 8.310 nan 0.000 0.483 119 Q N 3.152 122.996 119.800 0.073 0.000 2.119 119 Q HA -0.079 4.259 4.340 -0.004 0.000 0.201 119 Q C 1.897 177.997 176.000 0.166 0.000 0.972 119 Q CA 2.915 58.777 55.803 0.099 0.000 0.847 119 Q CB -0.609 28.140 28.738 0.019 0.000 0.903 119 Q HN 0.883 nan 8.270 nan 0.000 0.433 120 T N -2.461 112.165 114.554 0.119 0.000 2.915 120 T HA -0.083 4.265 4.350 -0.004 0.000 0.269 120 T C 1.183 175.984 174.700 0.168 0.000 1.071 120 T CA 1.196 63.370 62.100 0.123 0.000 1.132 120 T CB -0.281 68.627 68.868 0.067 0.000 0.878 120 T HN 0.160 nan 8.240 nan 0.000 0.479 121 D N 0.532 121.037 120.400 0.175 0.000 2.097 121 D HA 0.042 4.679 4.640 -0.004 0.000 0.197 121 D C 1.502 177.952 176.300 0.250 0.000 0.984 121 D CA 0.612 54.738 54.000 0.210 0.000 0.826 121 D CB -0.588 40.335 40.800 0.205 0.000 0.973 121 D HN 0.431 nan 8.370 nan 0.000 0.460 122 F N 1.533 121.553 119.950 0.117 0.000 2.095 122 F HA -0.228 4.296 4.527 -0.005 0.000 0.298 122 F C 1.858 177.708 175.800 0.084 0.000 1.104 122 F CA 1.484 59.541 58.000 0.095 0.000 1.232 122 F CB 0.097 39.140 39.000 0.073 0.000 0.987 122 F HN -0.153 nan 8.300 nan 0.000 0.475 123 D N 0.105 120.721 120.400 0.359 0.000 2.092 123 D HA -0.248 4.389 4.640 -0.004 0.000 0.193 123 D C 2.076 178.448 176.300 0.120 0.000 0.994 123 D CA 1.588 55.731 54.000 0.239 0.000 0.828 123 D CB -1.001 39.920 40.800 0.203 0.000 0.963 123 D HN 0.332 nan 8.370 nan 0.000 0.450 124 F N 1.724 121.678 119.950 0.007 0.000 2.115 124 F HA -0.268 4.256 4.527 -0.004 0.000 0.300 124 F C 2.171 177.899 175.800 -0.120 0.000 1.092 124 F CA 1.132 59.102 58.000 -0.051 0.000 1.245 124 F CB -0.312 38.667 39.000 -0.034 0.000 0.995 124 F HN -0.197 nan 8.300 nan 0.000 0.481 125 V N 0.690 120.490 119.914 -0.190 0.000 2.283 125 V HA -0.247 3.871 4.120 -0.004 0.000 0.243 125 V C 2.610 178.487 176.094 -0.362 0.000 1.039 125 V CA 1.796 63.898 62.300 -0.329 0.000 1.016 125 V CB -0.653 31.024 31.823 -0.243 0.000 0.650 125 V HN 0.178 nan 8.190 nan 0.000 0.449 126 R N 0.421 120.733 120.500 -0.314 0.000 2.115 126 R HA -0.257 4.080 4.340 -0.004 0.000 0.239 126 R C 2.216 178.398 176.300 -0.197 0.000 1.133 126 R CA 2.254 58.223 56.100 -0.219 0.000 0.935 126 R CB -1.081 29.162 30.300 -0.097 0.000 0.853 126 R HN 0.801 nan 8.270 nan 0.000 0.433 127 E N 0.960 121.039 120.200 -0.202 0.000 2.026 127 E HA -0.226 4.121 4.350 -0.004 0.000 0.206 127 E C 2.034 178.451 176.600 -0.304 0.000 1.028 127 E CA 2.392 58.666 56.400 -0.211 0.000 0.845 127 E CB -0.349 29.242 29.700 -0.182 0.000 0.772 127 E HN 0.481 nan 8.360 nan 0.000 0.462 128 I N -1.065 119.186 120.570 -0.532 0.000 2.423 128 I HA -0.180 3.988 4.170 -0.004 0.000 0.254 128 I C 2.325 178.226 176.117 -0.360 0.000 1.151 128 I CA 1.164 62.137 61.300 -0.545 0.000 1.421 128 I CB -0.405 37.037 38.000 -0.931 0.000 1.079 128 I HN 0.157 nan 8.210 nan 0.000 0.431 129 I N 1.310 121.695 120.570 -0.309 0.000 2.233 129 I HA -0.173 3.995 4.170 -0.004 0.000 0.243 129 I C 2.631 178.661 176.117 -0.144 0.000 1.093 129 I CA 1.459 62.636 61.300 -0.205 0.000 1.380 129 I CB -0.376 37.513 38.000 -0.186 0.000 1.067 129 I HN 0.217 nan 8.210 nan 0.000 0.413 130 E N 0.483 120.605 120.200 -0.131 0.000 2.047 130 E HA -0.274 4.073 4.350 -0.004 0.000 0.191 130 E C 2.135 178.689 176.600 -0.076 0.000 0.987 130 E CA 0.915 57.266 56.400 -0.082 0.000 0.799 130 E CB -0.126 29.539 29.700 -0.059 0.000 0.752 130 E HN 0.421 nan 8.360 nan 0.000 0.449 131 Q N -0.084 119.657 119.800 -0.098 0.000 2.368 131 Q HA -0.120 4.218 4.340 -0.004 0.000 0.210 131 Q C 0.745 176.703 176.000 -0.069 0.000 0.982 131 Q CA 0.762 56.517 55.803 -0.080 0.000 0.884 131 Q CB -0.099 28.578 28.738 -0.102 0.000 0.933 131 Q HN 0.434 nan 8.270 nan 0.000 0.460 132 G N -0.391 108.360 108.800 -0.082 0.000 2.249 132 G HA2 -0.324 3.634 3.960 -0.004 0.000 0.273 132 G HA3 -0.324 3.634 3.960 -0.004 0.000 0.273 132 G C 0.489 175.361 174.900 -0.046 0.000 1.036 132 G CA 0.437 45.500 45.100 -0.062 0.000 0.824 132 G HN 0.498 nan 8.290 nan 0.000 0.504 133 A N -0.932 121.845 122.820 -0.073 0.000 2.238 133 A HA 0.556 4.873 4.320 -0.004 0.000 0.208 133 A C 1.110 178.745 177.584 0.085 0.000 1.177 133 A CA 0.556 52.579 52.037 -0.024 0.000 0.804 133 A CB 0.023 18.953 19.000 -0.116 0.000 0.823 133 A HN 0.763 nan 8.150 nan 0.000 0.482 134 I N 1.610 122.203 120.570 0.039 0.000 2.312 134 I HA 0.244 4.412 4.170 -0.004 0.000 0.291 134 I C -2.266 173.895 176.117 0.073 0.000 1.031 134 I CA -2.075 59.302 61.300 0.129 0.000 1.293 134 I CB 1.029 39.058 38.000 0.050 0.000 1.403 134 I HN 0.011 nan 8.210 nan 0.000 0.484 135 P HA 0.028 nan 4.420 nan 0.000 0.267 135 P C 0.025 177.327 177.300 0.003 0.000 1.200 135 P CA -0.147 62.967 63.100 0.023 0.000 0.772 135 P CB 0.569 32.272 31.700 0.006 0.000 0.855 136 D N 0.814 121.207 120.400 -0.012 0.000 2.263 136 D HA -0.135 4.503 4.640 -0.004 0.000 0.208 136 D C 0.811 177.095 176.300 -0.027 0.000 0.971 136 D CA 1.203 55.189 54.000 -0.024 0.000 0.867 136 D CB -0.305 40.479 40.800 -0.027 0.000 0.929 136 D HN 0.534 nan 8.370 nan 0.000 0.492 137 D N -0.261 120.125 120.400 -0.024 0.000 2.340 137 D HA 0.001 4.638 4.640 -0.004 0.000 0.217 137 D C 0.146 176.433 176.300 -0.022 0.000 1.081 137 D CA -0.175 53.809 54.000 -0.027 0.000 0.842 137 D CB 0.072 40.853 40.800 -0.032 0.000 0.934 137 D HN -0.082 nan 8.370 nan 0.000 0.511 138 V N 0.759 120.666 119.914 -0.011 0.000 2.417 138 V HA 0.342 4.460 4.120 -0.004 0.000 0.291 138 V C 0.049 176.149 176.094 0.010 0.000 1.024 138 V CA -0.502 61.802 62.300 0.007 0.000 0.861 138 V CB 1.774 33.609 31.823 0.021 0.000 0.985 138 V HN 0.038 nan 8.190 nan 0.000 0.436 139 T N 6.481 121.040 114.554 0.008 0.000 2.767 139 T HA 0.565 4.912 4.350 -0.004 0.000 0.284 139 T C 0.036 174.755 174.700 0.032 0.000 0.973 139 T CA -0.153 61.942 62.100 -0.009 0.000 0.996 139 T CB 0.822 69.668 68.868 -0.036 0.000 0.927 139 T HN 0.613 nan 8.240 nan 0.000 0.456 140 I N 1.365 121.951 120.570 0.028 0.000 2.662 140 I HA 0.583 4.751 4.170 -0.004 0.000 0.291 140 I C -0.063 176.074 176.117 0.033 0.000 1.046 140 I CA -0.770 60.569 61.300 0.065 0.000 1.361 140 I CB 0.803 38.828 38.000 0.041 0.000 1.429 140 I HN 0.524 nan 8.210 nan 0.000 0.558 141 Q N 4.800 124.640 119.800 0.067 0.000 2.323 141 Q HA 0.654 4.992 4.340 -0.004 0.000 0.271 141 Q C -1.632 174.418 176.000 0.083 0.000 1.048 141 Q CA -0.886 54.956 55.803 0.065 0.000 0.792 141 Q CB 2.450 31.230 28.738 0.070 0.000 1.280 141 Q HN 0.808 nan 8.270 nan 0.000 0.441 142 V N 1.650 121.609 119.914 0.075 0.000 2.680 142 V HA 0.676 4.793 4.120 -0.004 0.000 0.309 142 V C -1.098 175.027 176.094 0.052 0.000 1.052 142 V CA -1.073 61.269 62.300 0.070 0.000 0.908 142 V CB 1.574 33.426 31.823 0.048 0.000 1.001 142 V HN 0.789 nan 8.190 nan 0.000 0.431 143 L N 3.519 124.712 121.223 -0.049 0.000 2.312 143 L HA 0.842 5.180 4.340 -0.004 0.000 0.281 143 L C 0.218 176.829 176.870 -0.432 0.000 1.070 143 L CA 0.849 55.514 54.840 -0.293 0.000 0.805 143 L CB 1.589 43.324 42.059 -0.541 0.000 1.174 143 L HN 1.138 nan 8.230 nan 0.000 0.434 144 T N 3.030 117.427 114.554 -0.261 0.000 2.896 144 T HA 0.439 4.786 4.350 -0.004 0.000 0.297 144 T C -0.603 174.011 174.700 -0.144 0.000 1.108 144 T CA -0.504 61.520 62.100 -0.127 0.000 1.004 144 T CB 1.232 70.197 68.868 0.161 0.000 1.159 144 T HN 0.711 nan 8.240 nan 0.000 0.499 145 Q N 0.480 120.279 119.800 -0.002 0.000 2.237 145 Q HA 0.313 4.650 4.340 -0.004 0.000 0.219 145 Q C 0.816 176.811 176.000 -0.009 0.000 0.999 145 Q CA -0.708 54.980 55.803 -0.192 0.000 0.959 145 Q CB 0.843 29.587 28.738 0.010 0.000 1.173 145 Q HN 0.799 nan 8.270 nan 0.000 0.527 146 C N 0.287 119.576 119.300 -0.018 0.000 2.495 146 C HA 0.058 4.516 4.460 -0.004 0.000 0.275 146 C C 0.698 175.703 174.990 0.024 0.000 1.392 146 C CA -0.100 58.940 59.018 0.038 0.000 1.766 146 C CB -0.523 27.253 27.740 0.058 0.000 1.933 146 C HN 0.584 nan 8.230 nan 0.000 0.519 147 R N 1.918 122.444 120.500 0.044 0.000 2.537 147 R HA 0.001 4.339 4.340 -0.004 0.000 0.281 147 R C -1.266 175.054 176.300 0.032 0.000 0.988 147 R CA -0.241 55.884 56.100 0.042 0.000 1.077 147 R CB -0.029 30.306 30.300 0.058 0.000 0.932 147 R HN 0.310 nan 8.270 nan 0.000 0.409 148 P HA -0.247 nan 4.420 nan 0.000 0.216 148 P C 0.959 178.270 177.300 0.019 0.000 1.150 148 P CA 1.455 64.550 63.100 -0.008 0.000 0.837 148 P CB 0.094 31.780 31.700 -0.023 0.000 0.786 149 E N 0.656 120.877 120.200 0.034 0.000 2.204 149 E HA -0.114 4.234 4.350 -0.004 0.000 0.194 149 E C 2.106 178.758 176.600 0.087 0.000 0.989 149 E CA 0.888 57.318 56.400 0.051 0.000 0.824 149 E CB -1.156 28.567 29.700 0.038 0.000 0.756 149 E HN 0.297 nan 8.360 nan 0.000 0.477 150 L N 0.459 121.743 121.223 0.100 0.000 2.131 150 L HA 0.020 4.358 4.340 -0.004 0.000 0.206 150 L C 2.794 179.776 176.870 0.186 0.000 1.087 150 L CA 0.597 55.529 54.840 0.153 0.000 0.767 150 L CB -0.355 41.805 42.059 0.169 0.000 0.917 150 L HN 0.033 nan 8.230 nan 0.000 0.441 151 I N 0.592 121.251 120.570 0.149 0.000 2.163 151 I HA -0.296 3.871 4.170 -0.004 0.000 0.243 151 I C 2.608 178.875 176.117 0.251 0.000 1.085 151 I CA 1.751 63.164 61.300 0.188 0.000 1.347 151 I CB -0.494 37.558 38.000 0.087 0.000 1.044 151 I HN 0.424 nan 8.210 nan 0.000 0.408 152 E N 1.412 121.703 120.200 0.152 0.000 2.106 152 E HA -0.268 4.079 4.350 -0.004 0.000 0.192 152 E C 2.261 179.002 176.600 0.234 0.000 0.984 152 E CA 0.908 57.406 56.400 0.162 0.000 0.806 152 E CB -0.414 29.343 29.700 0.094 0.000 0.750 152 E HN 0.403 nan 8.360 nan 0.000 0.458 153 R N 0.974 121.605 120.500 0.219 0.000 2.081 153 R HA -0.092 4.245 4.340 -0.004 0.000 0.235 153 R C 2.188 178.674 176.300 0.310 0.000 1.131 153 R CA 2.043 58.306 56.100 0.271 0.000 0.960 153 R CB -0.380 30.055 30.300 0.224 0.000 0.856 153 R HN 0.165 nan 8.270 nan 0.000 0.436 154 T N 0.300 115.007 114.554 0.256 0.000 2.665 154 T HA -0.166 4.181 4.350 -0.004 0.000 0.268 154 T C 1.363 176.083 174.700 0.033 0.000 1.035 154 T CA 1.728 63.926 62.100 0.164 0.000 1.151 154 T CB -0.338 68.623 68.868 0.154 0.000 0.862 154 T HN 0.155 nan 8.240 nan 0.000 0.438 155 F N 1.508 121.392 119.950 -0.110 0.000 2.234 155 F HA -0.012 4.513 4.527 -0.005 0.000 0.299 155 F C 2.679 178.230 175.800 -0.415 0.000 1.087 155 F CA 0.807 58.565 58.000 -0.403 0.000 1.340 155 F CB -0.480 38.130 39.000 -0.650 0.000 1.031 155 F HN 0.182 nan 8.300 nan 0.000 0.500 156 Q N -0.372 119.469 119.800 0.068 0.000 2.119 156 Q HA -0.120 4.217 4.340 -0.004 0.000 0.201 156 Q C 2.482 178.519 176.000 0.061 0.000 0.972 156 Q CA 1.300 57.202 55.803 0.166 0.000 0.847 156 Q CB -0.373 28.573 28.738 0.347 0.000 0.903 156 Q HN 0.413 nan 8.270 nan 0.000 0.433 157 A N -0.050 122.728 122.820 -0.071 0.000 1.969 157 A HA -0.147 4.170 4.320 -0.004 0.000 0.218 157 A C 1.961 179.360 177.584 -0.309 0.000 1.169 157 A CA 1.018 52.733 52.037 -0.536 0.000 0.635 157 A CB -0.471 18.150 19.000 -0.632 0.000 0.810 157 A HN 0.492 nan 8.150 nan 0.000 0.445 158 C N 0.175 119.392 119.300 -0.139 0.000 2.626 158 C HA 0.259 4.716 4.460 -0.004 0.000 0.266 158 C C 1.431 176.419 174.990 -0.003 0.000 1.317 158 C CA -0.580 58.404 59.018 -0.057 0.000 1.716 158 C CB -1.929 25.870 27.740 0.099 0.000 1.819 158 C HN 0.466 nan 8.230 nan 0.000 0.578 159 S N 0.601 116.299 115.700 -0.005 0.000 2.885 159 S HA 0.328 4.795 4.470 -0.004 0.000 0.334 159 S C 1.396 176.029 174.600 0.055 0.000 1.224 159 S CA 1.505 59.762 58.200 0.094 0.000 1.080 159 S CB -0.247 63.056 63.200 0.171 0.000 0.801 159 S HN 0.996 nan 8.310 nan 0.000 0.510 160 G N 3.089 111.932 108.800 0.072 0.000 2.258 160 G HA2 -0.187 3.770 3.960 -0.004 0.000 0.233 160 G HA3 -0.187 3.770 3.960 -0.004 0.000 0.233 160 G C 0.306 175.155 174.900 -0.086 0.000 1.006 160 G CA -0.043 45.060 45.100 0.005 0.000 0.620 160 G HN 1.482 nan 8.290 nan 0.000 0.511 161 A N 1.351 124.080 122.820 -0.152 0.000 2.580 161 A HA 0.482 4.799 4.320 -0.004 0.000 0.244 161 A C -0.117 177.295 177.584 -0.287 0.000 1.045 161 A CA 0.768 52.666 52.037 -0.231 0.000 0.761 161 A CB 0.265 19.096 19.000 -0.281 0.000 0.962 161 A HN 0.225 nan 8.150 nan 0.000 0.512 162 P HA -0.036 nan 4.420 nan 0.000 0.221 162 P C 0.205 177.332 177.300 -0.287 0.000 1.150 162 P CA 1.274 64.249 63.100 -0.210 0.000 0.800 162 P CB 0.122 31.741 31.700 -0.135 0.000 0.787 163 R N -1.790 118.520 120.500 -0.317 0.000 2.664 163 R HA 0.804 5.141 4.340 -0.004 0.000 0.266 163 R C -2.043 174.058 176.300 -0.333 0.000 1.046 163 R CA -1.081 54.807 56.100 -0.352 0.000 0.885 163 R CB 1.141 31.312 30.300 -0.214 0.000 1.254 163 R HN -0.139 nan 8.270 nan 0.000 0.465 164 A N 2.663 125.276 122.820 -0.344 0.000 2.589 164 A HA 0.564 4.882 4.320 -0.004 0.000 0.296 164 A C -1.171 176.337 177.584 -0.125 0.000 1.062 164 A CA -0.936 50.974 52.037 -0.213 0.000 0.686 164 A CB 1.394 20.249 19.000 -0.242 0.000 1.282 164 A HN 0.640 nan 8.150 nan 0.000 0.404 165 I N 1.572 122.103 120.570 -0.065 0.000 2.342 165 I HA 0.420 4.587 4.170 -0.004 0.000 0.291 165 I C -0.508 175.624 176.117 0.025 0.000 1.010 165 I CA -0.799 60.475 61.300 -0.044 0.000 1.308 165 I CB 1.653 39.641 38.000 -0.020 0.000 1.400 165 I HN 0.287 nan 8.210 nan 0.000 0.488 166 V N 5.969 125.916 119.914 0.056 0.000 2.328 166 V HA 0.193 4.310 4.120 -0.004 0.000 0.278 166 V C -0.091 176.271 176.094 0.446 0.000 1.021 166 V CA -0.545 61.883 62.300 0.214 0.000 0.838 166 V CB 0.878 32.807 31.823 0.177 0.000 0.999 166 V HN 0.681 nan 8.190 nan 0.000 0.447 167 H N 6.389 125.592 119.070 0.221 0.000 2.641 167 H HA 0.547 5.101 4.556 -0.005 0.000 0.295 167 H C -0.897 174.586 175.328 0.258 0.000 1.070 167 H CA -0.845 55.297 56.048 0.156 0.000 1.257 167 H CB 0.658 30.445 29.762 0.041 0.000 1.393 167 H HN 0.637 nan 8.280 nan 0.000 0.464 168 F N 4.469 124.662 119.950 0.405 0.000 2.507 168 F HA 0.547 5.072 4.527 -0.004 0.000 0.327 168 F C -1.557 174.456 175.800 0.356 0.000 1.068 168 F CA -1.136 57.015 58.000 0.251 0.000 0.965 168 F CB 0.942 40.071 39.000 0.215 0.000 1.192 168 F HN 0.414 nan 8.300 nan 0.000 0.476 169 Y N 0.230 120.610 120.300 0.133 0.000 2.624 169 Y HA 0.649 5.196 4.550 -0.005 0.000 0.334 169 Y C -2.052 173.934 175.900 0.144 0.000 1.155 169 Y CA -1.645 56.438 58.100 -0.028 0.000 1.046 169 Y CB 1.417 39.750 38.460 -0.211 0.000 1.316 169 Y HN 0.922 nan 8.280 nan 0.000 0.457 170 N N 0.824 119.638 118.700 0.190 0.000 2.405 170 N HA 0.298 5.036 4.740 -0.004 0.000 0.274 170 N C -1.801 173.813 175.510 0.173 0.000 1.170 170 N CA -0.576 52.534 53.050 0.101 0.000 0.848 170 N CB 2.043 40.530 38.487 0.000 0.000 1.629 170 N HN 0.750 nan 8.380 nan 0.000 0.481 171 S N -0.357 115.431 115.700 0.146 0.000 2.549 171 S HA 0.290 4.757 4.470 -0.004 0.000 0.279 171 S C 0.941 175.574 174.600 0.054 0.000 1.321 171 S CA 0.323 58.621 58.200 0.163 0.000 1.054 171 S CB -0.087 63.306 63.200 0.322 0.000 0.899 171 S HN 0.693 nan 8.310 nan 0.000 0.497 172 T N 0.248 114.883 114.554 0.134 0.000 3.004 172 T HA 0.212 4.559 4.350 -0.004 0.000 0.266 172 T C 0.684 175.513 174.700 0.216 0.000 0.986 172 T CA 0.148 62.360 62.100 0.187 0.000 0.902 172 T CB -0.358 68.603 68.868 0.156 0.000 1.118 172 T HN 0.645 nan 8.240 nan 0.000 0.522 173 S N 1.350 117.149 115.700 0.164 0.000 2.566 173 S HA 0.267 4.735 4.470 -0.004 0.000 0.280 173 S C 1.443 176.104 174.600 0.102 0.000 1.343 173 S CA -0.665 57.609 58.200 0.123 0.000 1.036 173 S CB 0.066 63.327 63.200 0.103 0.000 0.866 173 S HN 0.316 nan 8.310 nan 0.000 0.526 174 I N 0.920 121.519 120.570 0.049 0.000 2.185 174 I HA -0.219 3.948 4.170 -0.004 0.000 0.246 174 I C 2.370 178.505 176.117 0.031 0.000 1.088 174 I CA 1.366 62.672 61.300 0.009 0.000 1.347 174 I CB -0.560 37.419 38.000 -0.036 0.000 1.041 174 I HN 0.608 nan 8.210 nan 0.000 0.415 175 L N 0.300 121.550 121.223 0.044 0.000 2.072 175 L HA -0.179 4.159 4.340 -0.004 0.000 0.205 175 L C 2.464 179.389 176.870 0.091 0.000 1.079 175 L CA 1.811 56.682 54.840 0.051 0.000 0.752 175 L CB -0.674 41.413 42.059 0.046 0.000 0.906 175 L HN 0.218 nan 8.230 nan 0.000 0.436 176 Q N -0.845 119.039 119.800 0.141 0.000 2.187 176 Q HA -0.106 4.231 4.340 -0.004 0.000 0.199 176 Q C 2.226 178.416 176.000 0.316 0.000 0.957 176 Q CA 0.951 56.893 55.803 0.232 0.000 0.857 176 Q CB -0.012 28.913 28.738 0.313 0.000 0.929 176 Q HN 0.550 nan 8.270 nan 0.000 0.453 177 R N 0.534 121.167 120.500 0.222 0.000 2.103 177 R HA -0.160 4.177 4.340 -0.004 0.000 0.242 177 R C 2.332 178.723 176.300 0.151 0.000 1.142 177 R CA 1.341 57.551 56.100 0.184 0.000 0.960 177 R CB -0.326 30.020 30.300 0.077 0.000 0.858 177 R HN 0.154 nan 8.270 nan 0.000 0.439 178 R N 0.836 121.393 120.500 0.095 0.000 2.055 178 R HA -0.100 4.238 4.340 -0.004 0.000 0.228 178 R C 2.254 178.590 176.300 0.059 0.000 1.143 178 R CA 1.912 58.047 56.100 0.058 0.000 0.945 178 R CB 0.020 30.336 30.300 0.026 0.000 0.841 178 R HN 0.282 nan 8.270 nan 0.000 0.429 179 V N -2.505 117.443 119.914 0.058 0.000 3.431 179 V HA 0.122 4.239 4.120 -0.004 0.000 0.253 179 V C 1.598 177.693 176.094 0.002 0.000 1.184 179 V CA 0.327 62.643 62.300 0.026 0.000 1.104 179 V CB 0.846 32.678 31.823 0.014 0.000 0.799 179 V HN 0.071 nan 8.190 nan 0.000 0.462 180 V N -0.372 119.555 119.914 0.022 0.000 2.492 180 V HA 0.178 4.295 4.120 -0.004 0.000 0.241 180 V C 2.140 178.053 176.094 -0.301 0.000 1.041 180 V CA 1.966 64.181 62.300 -0.141 0.000 1.057 180 V CB -0.541 31.195 31.823 -0.145 0.000 0.711 180 V HN 0.495 nan 8.190 nan 0.000 0.468 181 F N -0.676 119.301 119.950 0.044 0.000 2.717 181 F HA 0.383 4.907 4.527 -0.005 0.000 0.295 181 F C 1.286 177.105 175.800 0.031 0.000 1.117 181 F CA -0.306 57.720 58.000 0.043 0.000 1.361 181 F CB -0.034 39.001 39.000 0.058 0.000 1.112 181 F HN -0.082 nan 8.300 nan 0.000 0.594 182 R N 0.286 120.886 120.500 0.167 0.000 3.333 182 R HA -0.147 4.190 4.340 -0.004 0.000 0.256 182 R C -0.525 175.842 176.300 0.112 0.000 1.010 182 R CA 0.417 56.578 56.100 0.101 0.000 0.680 182 R CB -1.871 28.462 30.300 0.055 0.000 1.102 182 R HN 0.238 nan 8.270 nan 0.000 0.440 183 A N 0.854 123.756 122.820 0.137 0.000 2.435 183 A HA 0.576 4.894 4.320 -0.004 0.000 0.304 183 A C 0.038 177.652 177.584 0.050 0.000 1.064 183 A CA -0.722 51.376 52.037 0.102 0.000 0.727 183 A CB 1.109 20.189 19.000 0.133 0.000 1.284 183 A HN 0.391 nan 8.150 nan 0.000 0.415 184 N N 0.661 119.374 118.700 0.022 0.000 2.364 184 N HA 0.248 4.985 4.740 -0.004 0.000 0.264 184 N C 0.661 176.149 175.510 -0.038 0.000 1.263 184 N CA -0.374 52.664 53.050 -0.019 0.000 0.959 184 N CB 0.296 38.769 38.487 -0.023 0.000 1.204 184 N HN 0.598 nan 8.380 nan 0.000 0.550 185 R N -1.123 119.300 120.500 -0.127 0.000 2.091 185 R HA -0.114 4.224 4.340 -0.004 0.000 0.238 185 R C 1.859 178.197 176.300 0.064 0.000 1.136 185 R CA 1.849 57.826 56.100 -0.205 0.000 0.959 185 R CB -0.711 29.308 30.300 -0.468 0.000 0.856 185 R HN 0.749 nan 8.270 nan 0.000 0.437 186 A N 0.963 123.804 122.820 0.036 0.000 1.968 186 A HA -0.143 4.175 4.320 -0.004 0.000 0.217 186 A C 1.821 179.440 177.584 0.058 0.000 1.169 186 A CA 1.098 53.173 52.037 0.064 0.000 0.638 186 A CB -0.195 18.825 19.000 0.033 0.000 0.812 186 A HN 0.309 nan 8.150 nan 0.000 0.446 187 E N -0.284 119.942 120.200 0.044 0.000 2.077 187 E HA -0.127 4.220 4.350 -0.004 0.000 0.193 187 E C 1.908 178.528 176.600 0.033 0.000 0.989 187 E CA 1.400 57.822 56.400 0.037 0.000 0.800 187 E CB -0.232 29.491 29.700 0.038 0.000 0.746 187 E HN 0.403 nan 8.360 nan 0.000 0.452 188 V N 1.094 121.040 119.914 0.054 0.000 2.453 188 V HA -0.239 3.878 4.120 -0.004 0.000 0.247 188 V C 2.448 178.574 176.094 0.054 0.000 1.048 188 V CA 1.704 64.021 62.300 0.029 0.000 1.049 188 V CB -0.446 31.426 31.823 0.082 0.000 0.672 188 V HN 0.253 nan 8.190 nan 0.000 0.457 189 Q N 0.178 120.047 119.800 0.115 0.000 2.061 189 Q HA -0.244 4.093 4.340 -0.004 0.000 0.204 189 Q C 2.263 178.261 176.000 -0.004 0.000 0.984 189 Q CA 2.184 58.009 55.803 0.038 0.000 0.846 189 Q CB -0.288 28.498 28.738 0.081 0.000 0.902 189 Q HN 0.633 nan 8.270 nan 0.000 0.421 190 A N 0.557 123.384 122.820 0.012 0.000 1.902 190 A HA -0.180 4.138 4.320 -0.004 0.000 0.217 190 A C 1.973 179.550 177.584 -0.011 0.000 1.181 190 A CA 1.390 53.425 52.037 -0.004 0.000 0.623 190 A CB -0.710 18.293 19.000 0.004 0.000 0.818 190 A HN 0.481 nan 8.150 nan 0.000 0.443 191 I N 0.028 120.595 120.570 -0.006 0.000 2.145 191 I HA -0.376 3.791 4.170 -0.004 0.000 0.244 191 I C 2.972 179.095 176.117 0.010 0.000 1.075 191 I CA 1.434 62.730 61.300 -0.005 0.000 1.332 191 I CB -0.378 37.602 38.000 -0.032 0.000 1.033 191 I HN 0.365 nan 8.210 nan 0.000 0.410 192 A N 0.590 123.414 122.820 0.007 0.000 1.877 192 A HA -0.247 4.071 4.320 -0.004 0.000 0.216 192 A C 2.459 180.021 177.584 -0.036 0.000 1.186 192 A CA 2.673 54.706 52.037 -0.006 0.000 0.620 192 A CB -1.340 17.544 19.000 -0.194 0.000 0.822 192 A HN 0.544 nan 8.150 nan 0.000 0.443 193 T N -2.475 112.038 114.554 -0.069 0.000 2.951 193 T HA -0.089 4.259 4.350 -0.004 0.000 0.268 193 T C 1.211 175.858 174.700 -0.089 0.000 1.073 193 T CA 1.340 63.396 62.100 -0.073 0.000 1.134 193 T CB -0.367 68.464 68.868 -0.061 0.000 0.884 193 T HN 0.383 nan 8.240 nan 0.000 0.479 194 D N 1.754 122.109 120.400 -0.075 0.000 2.144 194 D HA 0.040 4.677 4.640 -0.004 0.000 0.200 194 D C 2.389 178.601 176.300 -0.147 0.000 0.978 194 D CA 1.247 55.191 54.000 -0.092 0.000 0.833 194 D CB -0.903 39.862 40.800 -0.059 0.000 0.961 194 D HN 0.566 nan 8.370 nan 0.000 0.470 195 G N 1.213 109.924 108.800 -0.149 0.000 2.459 195 G HA2 -0.224 3.733 3.960 -0.004 0.000 0.217 195 G HA3 -0.224 3.733 3.960 -0.004 0.000 0.217 195 G C 1.768 176.300 174.900 -0.614 0.000 1.183 195 G CA 1.480 46.408 45.100 -0.287 0.000 0.776 195 G HN 0.392 nan 8.290 nan 0.000 0.552 196 A N 0.673 123.135 122.820 -0.597 0.000 1.883 196 A HA -0.083 4.235 4.320 -0.004 0.000 0.217 196 A C 2.409 179.732 177.584 -0.435 0.000 1.186 196 A CA 1.930 53.601 52.037 -0.610 0.000 0.624 196 A CB -0.522 18.386 19.000 -0.153 0.000 0.822 196 A HN 0.358 nan 8.150 nan 0.000 0.444 197 R N -0.806 119.528 120.500 -0.277 0.000 2.096 197 R HA -0.215 4.123 4.340 -0.004 0.000 0.240 197 R C 2.355 178.507 176.300 -0.247 0.000 1.139 197 R CA 1.988 57.958 56.100 -0.217 0.000 0.952 197 R CB -0.237 29.976 30.300 -0.145 0.000 0.854 197 R HN 0.441 nan 8.270 nan 0.000 0.436 198 K N 0.401 120.643 120.400 -0.263 0.000 2.063 198 K HA -0.140 4.178 4.320 -0.004 0.000 0.208 198 K C 1.926 178.315 176.600 -0.353 0.000 1.048 198 K CA 1.748 57.877 56.287 -0.262 0.000 0.928 198 K CB -0.604 31.768 32.500 -0.214 0.000 0.713 198 K HN 0.191 nan 8.250 nan 0.000 0.442 199 C N -0.604 118.445 119.300 -0.419 0.000 2.432 199 C HA -0.065 4.393 4.460 -0.004 0.000 0.277 199 C C 2.544 177.300 174.990 -0.391 0.000 1.249 199 C CA 0.887 59.678 59.018 -0.379 0.000 1.725 199 C CB -0.732 26.642 27.740 -0.610 0.000 2.028 199 C HN 0.323 nan 8.230 nan 0.000 0.477 200 V N 1.153 120.826 119.914 -0.400 0.000 2.324 200 V HA -0.276 3.841 4.120 -0.004 0.000 0.250 200 V C 2.494 178.474 176.094 -0.191 0.000 1.060 200 V CA 2.448 64.609 62.300 -0.232 0.000 1.042 200 V CB -0.851 30.860 31.823 -0.186 0.000 0.650 200 V HN 0.679 nan 8.190 nan 0.000 0.450 201 E N -0.270 119.785 120.200 -0.243 0.000 2.028 201 E HA -0.254 4.094 4.350 -0.004 0.000 0.191 201 E C 2.275 178.698 176.600 -0.295 0.000 0.988 201 E CA 1.276 57.545 56.400 -0.217 0.000 0.799 201 E CB -0.151 29.432 29.700 -0.196 0.000 0.755 201 E HN 0.558 nan 8.360 nan 0.000 0.447 202 Q N 0.290 119.784 119.800 -0.512 0.000 2.096 202 Q HA -0.162 4.175 4.340 -0.004 0.000 0.204 202 Q C 2.190 177.736 176.000 -0.756 0.000 0.982 202 Q CA 1.470 56.776 55.803 -0.829 0.000 0.850 202 Q CB -0.528 27.168 28.738 -1.738 0.000 0.901 202 Q HN 0.422 nan 8.270 nan 0.000 0.422 203 A N 1.070 123.518 122.820 -0.621 0.000 1.940 203 A HA -0.117 4.200 4.320 -0.004 0.000 0.219 203 A C 2.291 179.928 177.584 0.087 0.000 1.176 203 A CA 1.998 53.926 52.037 -0.181 0.000 0.631 203 A CB -0.584 18.562 19.000 0.244 0.000 0.814 203 A HN 0.380 nan 8.150 nan 0.000 0.446 204 A N -1.057 121.763 122.820 -0.000 0.000 2.067 204 A HA 0.237 4.554 4.320 -0.004 0.000 0.217 204 A C 2.173 179.756 177.584 -0.002 0.000 1.156 204 A CA 1.951 54.008 52.037 0.033 0.000 0.683 204 A CB -0.569 18.425 19.000 -0.010 0.000 0.808 204 A HN 0.668 nan 8.150 nan 0.000 0.455 205 K N -1.303 119.045 120.400 -0.087 0.000 2.444 205 K HA 0.265 4.583 4.320 -0.004 0.000 0.193 205 K C -0.250 176.156 176.600 -0.323 0.000 1.024 205 K CA 0.278 56.438 56.287 -0.213 0.000 1.077 205 K CB -0.561 31.748 32.500 -0.319 0.000 0.833 205 K HN 0.602 nan 8.250 nan 0.000 0.517 206 Y N 1.320 121.705 120.300 0.142 0.000 2.426 206 Y HA 0.289 4.837 4.550 -0.004 0.000 0.325 206 Y C -2.440 173.717 175.900 0.428 0.000 0.989 206 Y CA -2.935 55.368 58.100 0.339 0.000 1.284 206 Y CB 2.119 40.920 38.460 0.567 0.000 1.104 206 Y HN 0.030 nan 8.280 nan 0.000 0.481 207 P HA 0.243 nan 4.420 nan 0.000 0.277 207 P C 0.842 178.261 177.300 0.198 0.000 1.240 207 P CA 0.507 63.748 63.100 0.236 0.000 0.798 207 P CB 1.839 33.620 31.700 0.134 0.000 0.979 208 G N 1.403 110.280 108.800 0.128 0.000 2.412 208 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.252 208 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.252 208 G C 0.421 175.288 174.900 -0.056 0.000 1.038 208 G CA 0.678 45.801 45.100 0.039 0.000 0.628 208 G HN 0.700 nan 8.290 nan 0.000 0.531 209 T N 2.853 117.326 114.554 -0.136 0.000 2.916 209 T HA 0.409 4.757 4.350 -0.004 0.000 0.303 209 T C 0.270 174.655 174.700 -0.523 0.000 1.025 209 T CA 0.223 62.036 62.100 -0.480 0.000 1.142 209 T CB 1.080 69.361 68.868 -0.980 0.000 0.947 209 T HN 0.254 nan 8.240 nan 0.000 0.544 210 Q N 2.899 122.435 119.800 -0.440 0.000 2.423 210 Q HA 0.132 4.470 4.340 -0.004 0.000 0.235 210 Q C -0.707 175.084 176.000 -0.347 0.000 1.100 210 Q CA 0.013 55.654 55.803 -0.271 0.000 0.908 210 Q CB 0.223 28.863 28.738 -0.163 0.000 1.312 210 Q HN 0.628 nan 8.270 nan 0.000 0.497 211 W N 2.771 124.022 121.300 -0.081 0.000 2.266 211 W HA 0.234 4.892 4.660 -0.004 0.000 0.317 211 W C 0.883 177.132 176.519 -0.449 0.000 1.310 211 W CA -0.332 56.867 57.345 -0.244 0.000 1.207 211 W CB 0.880 30.298 29.460 -0.070 0.000 1.199 211 W HN 0.085 nan 8.180 nan 0.000 0.544 212 R N 2.781 123.049 120.500 -0.386 0.000 2.686 212 R HA 0.519 4.857 4.340 -0.004 0.000 0.286 212 R C -1.393 174.512 176.300 -0.659 0.000 0.969 212 R CA -1.243 54.605 56.100 -0.419 0.000 0.898 212 R CB 1.790 31.978 30.300 -0.186 0.000 1.183 212 R HN 0.390 nan 8.270 nan 0.000 0.456 213 F N 0.272 120.316 119.950 0.157 0.000 2.522 213 F HA 0.441 4.965 4.527 -0.005 0.000 0.324 213 F C 0.518 176.353 175.800 0.057 0.000 1.077 213 F CA -0.718 57.404 58.000 0.204 0.000 0.944 213 F CB 2.024 41.232 39.000 0.346 0.000 1.175 213 F HN 0.348 nan 8.300 nan 0.000 0.468 214 E N 1.693 122.030 120.200 0.228 0.000 2.292 214 E HA 0.344 4.691 4.350 -0.004 0.000 0.272 214 E C -2.233 174.288 176.600 -0.131 0.000 0.881 214 E CA -0.799 55.578 56.400 -0.038 0.000 0.754 214 E CB 2.170 31.745 29.700 -0.208 0.000 1.201 214 E HN 0.610 nan 8.360 nan 0.000 0.425 215 Y N 2.199 122.343 120.300 -0.261 0.000 2.391 215 Y HA 0.520 5.067 4.550 -0.005 0.000 0.341 215 Y C -1.511 174.374 175.900 -0.025 0.000 0.965 215 Y CA -0.662 57.219 58.100 -0.364 0.000 1.067 215 Y CB 2.087 40.362 38.460 -0.309 0.000 1.199 215 Y HN 0.390 nan 8.280 nan 0.000 0.450 216 S N 8.215 123.397 115.700 -0.862 0.000 2.498 216 S HA 0.397 4.864 4.470 -0.004 0.000 0.317 216 S C -2.956 171.110 174.600 -0.890 0.000 1.090 216 S CA -1.500 56.342 58.200 -0.597 0.000 1.089 216 S CB 1.432 64.581 63.200 -0.085 0.000 0.997 216 S HN 0.460 nan 8.310 nan 0.000 0.470 217 P HA 0.110 nan 4.420 nan 0.000 0.273 217 P C -0.072 177.241 177.300 0.022 0.000 1.428 217 P CA -0.225 62.792 63.100 -0.138 0.000 0.995 217 P CB 0.146 31.893 31.700 0.079 0.000 1.286 218 E N 2.619 122.846 120.200 0.044 0.000 2.442 218 E HA -0.019 4.328 4.350 -0.004 0.000 0.262 218 E C 0.046 176.725 176.600 0.132 0.000 1.004 218 E CA 0.610 57.059 56.400 0.080 0.000 0.928 218 E CB 0.189 29.983 29.700 0.157 0.000 0.937 218 E HN 0.373 nan 8.360 nan 0.000 0.446 219 S N 2.458 118.230 115.700 0.120 0.000 3.748 219 S HA -0.265 4.203 4.470 -0.004 0.000 0.329 219 S C 0.441 175.150 174.600 0.181 0.000 1.104 219 S CA 0.937 59.218 58.200 0.135 0.000 0.954 219 S CB -2.115 61.159 63.200 0.124 0.000 0.910 219 S HN 0.720 nan 8.310 nan 0.000 0.494 220 Y N 2.414 122.772 120.300 0.097 0.000 2.193 220 Y HA -0.270 4.279 4.550 -0.002 0.000 0.285 220 Y C 2.277 178.281 175.900 0.173 0.000 1.166 220 Y CA 2.405 60.576 58.100 0.119 0.000 1.181 220 Y CB -0.641 37.887 38.460 0.113 0.000 0.976 220 Y HN 0.598 nan 8.280 nan 0.000 0.520 221 T N -3.276 111.297 114.554 0.031 0.000 3.055 221 T HA 0.081 4.428 4.350 -0.004 0.000 0.265 221 T C 1.815 176.616 174.700 0.168 0.000 1.111 221 T CA 0.720 62.842 62.100 0.036 0.000 1.118 221 T CB -0.555 68.424 68.868 0.184 0.000 0.909 221 T HN 0.412 nan 8.240 nan 0.000 0.501 222 G N 0.781 109.639 108.800 0.095 0.000 3.284 222 G HA2 0.339 4.296 3.960 -0.004 0.000 0.236 222 G HA3 0.339 4.296 3.960 -0.004 0.000 0.236 222 G C 0.076 174.974 174.900 -0.003 0.000 1.158 222 G CA -0.309 44.826 45.100 0.059 0.000 0.774 222 G HN 0.470 nan 8.290 nan 0.000 0.545 223 T N 1.075 115.608 114.554 -0.034 0.000 2.855 223 T HA 0.411 4.758 4.350 -0.004 0.000 0.281 223 T C -0.576 174.090 174.700 -0.058 0.000 1.007 223 T CA -0.553 61.553 62.100 0.010 0.000 1.009 223 T CB 2.137 71.054 68.868 0.082 0.000 0.983 223 T HN 0.169 nan 8.240 nan 0.000 0.455 224 E N 1.938 122.138 120.200 0.002 0.000 2.415 224 E HA 0.090 4.438 4.350 -0.004 0.000 0.263 224 E C 1.010 177.596 176.600 -0.022 0.000 0.995 224 E CA -0.083 56.292 56.400 -0.040 0.000 0.915 224 E CB 0.365 30.058 29.700 -0.013 0.000 0.951 224 E HN 0.475 nan 8.360 nan 0.000 0.449 225 L N 2.455 123.581 121.223 -0.162 0.000 1.994 225 L HA -0.262 4.075 4.340 -0.004 0.000 0.208 225 L C 2.698 179.543 176.870 -0.041 0.000 1.071 225 L CA 2.042 56.756 54.840 -0.210 0.000 0.745 225 L CB -0.911 40.753 42.059 -0.658 0.000 0.892 225 L HN 0.829 nan 8.230 nan 0.000 0.431 226 E N -0.220 119.931 120.200 -0.081 0.000 2.086 226 E HA -0.358 3.989 4.350 -0.004 0.000 0.200 226 E C 1.902 178.637 176.600 0.225 0.000 1.012 226 E CA 2.122 58.633 56.400 0.186 0.000 0.812 226 E CB -1.430 28.347 29.700 0.129 0.000 0.743 226 E HN 0.691 nan 8.360 nan 0.000 0.453 227 Y N 0.392 120.717 120.300 0.042 0.000 2.163 227 Y HA 0.030 4.578 4.550 -0.004 0.000 0.288 227 Y C 2.911 178.859 175.900 0.080 0.000 1.136 227 Y CA 1.697 59.825 58.100 0.047 0.000 1.147 227 Y CB -0.313 38.157 38.460 0.018 0.000 0.987 227 Y HN 0.344 nan 8.280 nan 0.000 0.509 228 A N 0.889 123.696 122.820 -0.022 0.000 1.892 228 A HA -0.281 4.036 4.320 -0.004 0.000 0.218 228 A C 2.283 179.846 177.584 -0.036 0.000 1.188 228 A CA 2.124 54.145 52.037 -0.027 0.000 0.631 228 A CB -0.873 18.262 19.000 0.225 0.000 0.822 228 A HN 0.523 nan 8.150 nan 0.000 0.447 229 K N -0.480 119.973 120.400 0.088 0.000 2.032 229 K HA -0.241 4.076 4.320 -0.004 0.000 0.209 229 K C 2.238 178.811 176.600 -0.045 0.000 1.048 229 K CA 2.009 58.327 56.287 0.051 0.000 0.927 229 K CB -0.255 32.392 32.500 0.245 0.000 0.712 229 K HN 0.692 nan 8.250 nan 0.000 0.441 230 Q N 0.044 119.841 119.800 -0.005 0.000 2.079 230 Q HA -0.116 4.221 4.340 -0.004 0.000 0.200 230 Q C 2.180 178.110 176.000 -0.116 0.000 0.974 230 Q CA 1.558 57.348 55.803 -0.020 0.000 0.840 230 Q CB -0.015 28.767 28.738 0.073 0.000 0.898 230 Q HN 0.123 nan 8.270 nan 0.000 0.430 231 V N 0.298 120.065 119.914 -0.245 0.000 2.287 231 V HA -0.342 3.776 4.120 -0.004 0.000 0.248 231 V C 2.352 178.288 176.094 -0.263 0.000 1.053 231 V CA 1.638 63.776 62.300 -0.270 0.000 1.027 231 V CB -0.655 30.956 31.823 -0.353 0.000 0.646 231 V HN 0.526 nan 8.190 nan 0.000 0.447 232 C N 0.035 119.152 119.300 -0.305 0.000 2.432 232 C HA -0.155 4.303 4.460 -0.004 0.000 0.277 232 C C 2.568 177.293 174.990 -0.442 0.000 1.249 232 C CA 0.927 59.573 59.018 -0.620 0.000 1.725 232 C CB -1.105 25.935 27.740 -1.166 0.000 2.028 232 C HN 0.597 nan 8.230 nan 0.000 0.477 233 D N 0.967 121.218 120.400 -0.248 0.000 2.104 233 D HA -0.102 4.535 4.640 -0.004 0.000 0.194 233 D C 2.298 178.600 176.300 0.003 0.000 0.994 233 D CA 1.811 55.780 54.000 -0.052 0.000 0.830 233 D CB -0.577 40.203 40.800 -0.033 0.000 0.959 233 D HN 0.497 nan 8.370 nan 0.000 0.452 234 A N 0.485 123.278 122.820 -0.045 0.000 1.877 234 A HA -0.154 4.163 4.320 -0.004 0.000 0.216 234 A C 2.560 180.135 177.584 -0.015 0.000 1.186 234 A CA 1.434 53.452 52.037 -0.031 0.000 0.620 234 A CB -0.841 18.126 19.000 -0.055 0.000 0.822 234 A HN 0.156 nan 8.150 nan 0.000 0.443 235 V N -0.071 119.816 119.914 -0.044 0.000 2.343 235 V HA -0.178 3.939 4.120 -0.004 0.000 0.247 235 V C 2.829 179.021 176.094 0.164 0.000 1.051 235 V CA 1.963 64.274 62.300 0.018 0.000 1.036 235 V CB -1.428 30.323 31.823 -0.120 0.000 0.654 235 V HN 0.633 nan 8.190 nan 0.000 0.451 236 G N -0.446 108.543 108.800 0.314 0.000 2.440 236 G HA2 -0.268 3.689 3.960 -0.004 0.000 0.218 236 G HA3 -0.268 3.689 3.960 -0.004 0.000 0.218 236 G C 1.601 176.585 174.900 0.140 0.000 1.154 236 G CA 1.167 46.444 45.100 0.295 0.000 0.767 236 G HN 0.503 nan 8.290 nan 0.000 0.552 237 E N -0.337 119.922 120.200 0.099 0.000 2.085 237 E HA -0.120 4.227 4.350 -0.004 0.000 0.194 237 E C 2.965 179.583 176.600 0.031 0.000 0.994 237 E CA 0.965 57.397 56.400 0.053 0.000 0.801 237 E CB -0.508 29.212 29.700 0.033 0.000 0.743 237 E HN 0.364 nan 8.360 nan 0.000 0.453 238 V N 1.092 121.017 119.914 0.018 0.000 2.261 238 V HA -0.230 3.887 4.120 -0.004 0.000 0.246 238 V C 2.348 178.429 176.094 -0.021 0.000 1.047 238 V CA 1.742 64.032 62.300 -0.018 0.000 1.015 238 V CB -0.511 31.282 31.823 -0.050 0.000 0.642 238 V HN 0.429 nan 8.190 nan 0.000 0.446 239 I N 0.331 120.904 120.570 0.005 0.000 2.493 239 I HA -0.031 4.137 4.170 -0.004 0.000 0.254 239 I C 1.577 177.730 176.117 0.060 0.000 1.160 239 I CA 1.141 62.447 61.300 0.009 0.000 1.445 239 I CB -1.849 36.194 38.000 0.071 0.000 1.086 239 I HN 0.421 nan 8.210 nan 0.000 0.433 240 A N 1.752 124.607 122.820 0.058 0.000 2.203 240 A HA -0.153 4.164 4.320 -0.004 0.000 0.279 240 A C -1.632 175.996 177.584 0.073 0.000 1.396 240 A CA 0.016 52.089 52.037 0.060 0.000 0.747 240 A CB -2.029 16.999 19.000 0.047 0.000 1.151 240 A HN 0.358 nan 8.150 nan 0.000 0.345 241 P HA 0.488 nan 4.420 nan 0.000 0.274 241 P C 0.263 177.590 177.300 0.045 0.000 1.246 241 P CA 0.681 63.819 63.100 0.064 0.000 0.795 241 P CB 1.035 32.750 31.700 0.026 0.000 1.006 242 T N -3.914 110.662 114.554 0.038 0.000 2.887 242 T HA 0.446 4.794 4.350 -0.004 0.000 0.292 242 T C -2.348 172.361 174.700 0.015 0.000 1.087 242 T CA -2.048 60.068 62.100 0.028 0.000 1.009 242 T CB 1.206 70.092 68.868 0.030 0.000 1.203 242 T HN 0.012 nan 8.240 nan 0.000 0.518 243 P HA -0.007 nan 4.420 nan 0.000 0.219 243 P C 1.470 178.771 177.300 0.002 0.000 1.146 243 P CA 0.800 63.902 63.100 0.004 0.000 0.808 243 P CB 0.042 31.744 31.700 0.004 0.000 0.779 244 E N -1.308 118.896 120.200 0.007 0.000 2.051 244 E HA -0.014 4.334 4.350 -0.004 0.000 0.189 244 E C 1.718 178.322 176.600 0.007 0.000 0.979 244 E CA 1.335 57.738 56.400 0.005 0.000 0.803 244 E CB -1.120 28.586 29.700 0.009 0.000 0.761 244 E HN 0.258 nan 8.360 nan 0.000 0.451 245 R N 2.101 122.612 120.500 0.018 0.000 3.256 245 R HA 0.341 4.678 4.340 -0.004 0.000 0.263 245 R C -2.580 173.735 176.300 0.025 0.000 1.388 245 R CA -2.042 54.074 56.100 0.027 0.000 1.580 245 R CB -1.032 29.300 30.300 0.054 0.000 1.255 245 R HN 0.291 nan 8.270 nan 0.000 0.640 246 P HA 0.244 nan 4.420 nan 0.000 0.274 246 P C -0.230 177.048 177.300 -0.037 0.000 1.246 246 P CA -0.476 62.609 63.100 -0.024 0.000 0.795 246 P CB 1.115 32.791 31.700 -0.040 0.000 1.006 247 I N 0.820 121.325 120.570 -0.108 0.000 2.577 247 I HA 0.290 4.457 4.170 -0.004 0.000 0.300 247 I C -0.027 175.906 176.117 -0.308 0.000 0.990 247 I CA -1.207 59.974 61.300 -0.199 0.000 1.283 247 I CB 0.624 38.412 38.000 -0.353 0.000 1.411 247 I HN 0.155 nan 8.210 nan 0.000 0.515 248 I N 6.960 127.370 120.570 -0.266 0.000 2.315 248 I HA 0.234 4.401 4.170 -0.004 0.000 0.291 248 I C -0.968 174.970 176.117 -0.298 0.000 1.006 248 I CA -0.115 61.040 61.300 -0.242 0.000 1.265 248 I CB 0.581 38.489 38.000 -0.152 0.000 1.387 248 I HN 0.352 nan 8.210 nan 0.000 0.475 249 F N 4.924 124.852 119.950 -0.038 0.000 2.385 249 F HA 0.317 4.842 4.527 -0.003 0.000 0.360 249 F C 0.370 176.087 175.800 -0.137 0.000 1.122 249 F CA -0.744 57.219 58.000 -0.062 0.000 1.090 249 F CB 1.073 40.064 39.000 -0.014 0.000 1.150 249 F HN 0.457 nan 8.300 nan 0.000 0.472 250 N N 4.807 123.500 118.700 -0.012 0.000 2.408 250 N HA 0.475 5.213 4.740 -0.004 0.000 0.280 250 N C -1.431 173.986 175.510 -0.155 0.000 1.002 250 N CA -0.408 52.573 53.050 -0.115 0.000 0.907 250 N CB 0.916 39.268 38.487 -0.224 0.000 1.161 250 N HN 0.576 nan 8.380 nan 0.000 0.488 251 L N 5.169 126.286 121.223 -0.178 0.000 2.408 251 L HA 0.477 4.814 4.340 -0.004 0.000 0.257 251 L C -2.245 174.584 176.870 -0.069 0.000 1.053 251 L CA -1.760 52.821 54.840 -0.432 0.000 0.922 251 L CB 1.331 42.821 42.059 -0.948 0.000 1.261 251 L HN 0.418 nan 8.230 nan 0.000 0.458 252 P HA 0.135 nan 4.420 nan 0.000 0.280 252 P C -0.267 177.268 177.300 0.392 0.000 1.244 252 P CA -0.399 62.855 63.100 0.255 0.000 0.784 252 P CB 1.712 33.462 31.700 0.083 0.000 0.913 253 A N 3.147 126.152 122.820 0.309 0.000 3.091 253 A HA 0.205 4.522 4.320 -0.004 0.000 0.264 253 A C 1.530 179.244 177.584 0.216 0.000 1.673 253 A CA -0.084 52.058 52.037 0.175 0.000 1.362 253 A CB -1.256 17.657 19.000 -0.146 0.000 1.137 253 A HN 0.503 nan 8.150 nan 0.000 0.617 254 T N -0.040 114.591 114.554 0.128 0.000 2.665 254 T HA -0.106 4.241 4.350 -0.004 0.000 0.268 254 T C 0.845 175.346 174.700 -0.332 0.000 1.035 254 T CA 1.739 63.757 62.100 -0.136 0.000 1.151 254 T CB -0.188 68.639 68.868 -0.067 0.000 0.862 254 T HN 0.294 nan 8.240 nan 0.000 0.438 255 V N 1.773 121.629 119.914 -0.097 0.000 2.398 255 V HA 0.269 4.386 4.120 -0.004 0.000 0.286 255 V C 0.072 176.164 176.094 -0.004 0.000 1.026 255 V CA -1.137 61.129 62.300 -0.058 0.000 0.868 255 V CB 1.657 33.473 31.823 -0.012 0.000 0.982 255 V HN 0.311 nan 8.190 nan 0.000 0.443 256 E N 4.057 124.249 120.200 -0.013 0.000 2.161 256 E HA 0.109 4.456 4.350 -0.004 0.000 0.263 256 E C 0.628 177.203 176.600 -0.042 0.000 1.185 256 E CA 0.023 56.392 56.400 -0.051 0.000 0.938 256 E CB 0.503 30.166 29.700 -0.062 0.000 1.023 256 E HN 0.662 nan 8.360 nan 0.000 0.433 257 M N 2.437 122.009 119.600 -0.047 0.000 2.516 257 M HA 0.060 4.537 4.480 -0.004 0.000 0.259 257 M C 0.925 177.159 176.300 -0.109 0.000 1.146 257 M CA 0.506 55.806 55.300 -0.000 0.000 1.122 257 M CB 0.812 33.504 32.600 0.154 0.000 1.341 257 M HN 0.367 nan 8.290 nan 0.000 0.478 258 T N -0.565 113.824 114.554 -0.275 0.000 2.671 258 T HA 0.261 4.609 4.350 -0.004 0.000 0.300 258 T C -0.738 173.841 174.700 -0.202 0.000 1.238 258 T CA -0.579 61.344 62.100 -0.295 0.000 1.020 258 T CB 1.226 69.693 68.868 -0.669 0.000 1.503 258 T HN 0.296 nan 8.240 nan 0.000 0.497 259 T N 1.871 116.341 114.554 -0.140 0.000 2.939 259 T HA 0.199 4.546 4.350 -0.004 0.000 0.319 259 T C -1.608 173.045 174.700 -0.079 0.000 1.082 259 T CA -0.694 61.359 62.100 -0.079 0.000 1.133 259 T CB 0.182 69.034 68.868 -0.026 0.000 1.019 259 T HN 0.444 nan 8.240 nan 0.000 0.548 260 P HA -0.098 nan 4.420 nan 0.000 0.223 260 P C 1.312 178.534 177.300 -0.129 0.000 1.151 260 P CA 0.814 63.874 63.100 -0.066 0.000 0.787 260 P CB -0.069 31.594 31.700 -0.062 0.000 0.788 261 N N 0.288 118.924 118.700 -0.106 0.000 2.244 261 N HA -0.073 4.664 4.740 -0.004 0.000 0.183 261 N C 1.492 176.972 175.510 -0.050 0.000 1.016 261 N CA 1.101 54.067 53.050 -0.140 0.000 0.866 261 N CB -1.325 37.334 38.487 0.287 0.000 0.980 261 N HN 0.067 nan 8.380 nan 0.000 0.430 262 V N 0.490 120.398 119.914 -0.010 0.000 2.379 262 V HA -0.152 3.966 4.120 -0.004 0.000 0.243 262 V C 2.251 178.339 176.094 -0.009 0.000 1.035 262 V CA 1.018 63.322 62.300 0.007 0.000 1.035 262 V CB -1.077 30.696 31.823 -0.083 0.000 0.673 262 V HN 0.108 nan 8.190 nan 0.000 0.457 263 Y N 1.974 122.172 120.300 -0.170 0.000 2.069 263 Y HA -0.375 4.172 4.550 -0.006 0.000 0.278 263 Y C 2.441 178.289 175.900 -0.087 0.000 1.175 263 Y CA 1.913 59.956 58.100 -0.096 0.000 1.134 263 Y CB -0.750 37.654 38.460 -0.094 0.000 0.965 263 Y HN 0.157 nan 8.280 nan 0.000 0.498 264 A N -0.212 122.445 122.820 -0.273 0.000 1.933 264 A HA -0.193 4.124 4.320 -0.004 0.000 0.218 264 A C 2.005 179.370 177.584 -0.366 0.000 1.175 264 A CA 1.906 53.603 52.037 -0.568 0.000 0.628 264 A CB -0.841 17.398 19.000 -1.268 0.000 0.814 264 A HN 0.553 nan 8.150 nan 0.000 0.444 265 D N 0.052 120.405 120.400 -0.079 0.000 2.123 265 D HA -0.151 4.486 4.640 -0.004 0.000 0.196 265 D C 2.506 178.918 176.300 0.187 0.000 0.992 265 D CA 1.909 56.064 54.000 0.258 0.000 0.833 265 D CB -0.388 40.583 40.800 0.285 0.000 0.954 265 D HN 0.578 nan 8.370 nan 0.000 0.455 266 S N 0.280 116.030 115.700 0.082 0.000 2.382 266 S HA -0.129 4.338 4.470 -0.004 0.000 0.228 266 S C 2.031 176.747 174.600 0.192 0.000 1.027 266 S CA 0.650 58.932 58.200 0.136 0.000 0.991 266 S CB -0.260 62.990 63.200 0.084 0.000 0.823 266 S HN 0.110 nan 8.310 nan 0.000 0.469 267 I N 2.062 122.621 120.570 -0.017 0.000 2.286 267 I HA -0.013 4.155 4.170 -0.004 0.000 0.245 267 I C 2.785 178.938 176.117 0.060 0.000 1.104 267 I CA 1.381 62.644 61.300 -0.061 0.000 1.397 267 I CB -1.505 36.344 38.000 -0.252 0.000 1.072 267 I HN 0.506 nan 8.210 nan 0.000 0.417 268 E N 0.090 120.354 120.200 0.106 0.000 2.085 268 E HA -0.293 4.054 4.350 -0.004 0.000 0.194 268 E C 2.288 178.996 176.600 0.180 0.000 0.994 268 E CA 1.679 58.179 56.400 0.167 0.000 0.801 268 E CB -0.251 29.624 29.700 0.291 0.000 0.743 268 E HN 0.472 nan 8.360 nan 0.000 0.453 269 W N 0.506 121.852 121.300 0.077 0.000 2.354 269 W HA -0.212 4.448 4.660 -0.001 0.000 0.315 269 W C 2.090 178.644 176.519 0.058 0.000 1.206 269 W CA 1.496 58.884 57.345 0.072 0.000 1.290 269 W CB -0.097 29.413 29.460 0.083 0.000 1.152 269 W HN 0.074 nan 8.180 nan 0.000 0.489 270 M N -0.137 119.697 119.600 0.390 0.000 2.106 270 M HA -0.239 4.238 4.480 -0.004 0.000 0.259 270 M C 2.272 178.565 176.300 -0.011 0.000 1.068 270 M CA 2.010 57.425 55.300 0.191 0.000 1.100 270 M CB -1.945 30.788 32.600 0.221 0.000 1.351 270 M HN 0.086 nan 8.290 nan 0.000 0.404 271 S N -0.158 115.547 115.700 0.009 0.000 2.383 271 S HA -0.106 4.362 4.470 -0.004 0.000 0.229 271 S C 1.954 176.511 174.600 -0.071 0.000 1.030 271 S CA 1.212 59.403 58.200 -0.014 0.000 1.002 271 S CB -0.039 63.166 63.200 0.008 0.000 0.829 271 S HN 0.450 nan 8.310 nan 0.000 0.467 272 R N 0.187 120.603 120.500 -0.139 0.000 2.246 272 R HA 0.238 4.575 4.340 -0.004 0.000 0.199 272 R C 1.391 177.529 176.300 -0.270 0.000 0.984 272 R CA 0.636 56.629 56.100 -0.179 0.000 1.015 272 R CB 0.026 30.209 30.300 -0.195 0.000 0.930 272 R HN 0.380 nan 8.270 nan 0.000 0.475 273 N N -0.175 118.291 118.700 -0.390 0.000 2.382 273 N HA 0.096 4.833 4.740 -0.004 0.000 0.200 273 N C 0.146 175.491 175.510 -0.274 0.000 1.122 273 N CA -0.016 52.737 53.050 -0.495 0.000 0.870 273 N CB 0.763 38.552 38.487 -1.163 0.000 1.176 273 N HN 0.005 nan 8.380 nan 0.000 0.474 274 L N 1.807 122.925 121.223 -0.175 0.000 2.514 274 L HA 0.071 4.409 4.340 -0.004 0.000 0.280 274 L C 0.873 177.726 176.870 -0.027 0.000 1.223 274 L CA -0.283 54.516 54.840 -0.068 0.000 0.864 274 L CB 0.345 42.410 42.059 0.010 0.000 1.118 274 L HN 0.051 nan 8.230 nan 0.000 0.494 275 A N 2.648 125.471 122.820 0.006 0.000 2.366 275 A HA 0.214 4.532 4.320 -0.004 0.000 0.249 275 A C 0.869 178.497 177.584 0.073 0.000 1.084 275 A CA -0.061 51.993 52.037 0.029 0.000 0.794 275 A CB 0.101 19.121 19.000 0.033 0.000 1.034 275 A HN 0.916 nan 8.150 nan 0.000 0.491 276 N N -1.281 117.451 118.700 0.053 0.000 2.740 276 N HA -0.186 4.551 4.740 -0.004 0.000 0.248 276 N C 0.694 176.242 175.510 0.063 0.000 1.062 276 N CA 1.098 54.183 53.050 0.059 0.000 0.704 276 N CB -0.769 37.765 38.487 0.077 0.000 0.968 276 N HN 0.777 nan 8.380 nan 0.000 0.547 277 R N 0.922 121.448 120.500 0.044 0.000 2.127 277 R HA -0.138 4.199 4.340 -0.004 0.000 0.238 277 R C 1.453 177.769 176.300 0.026 0.000 1.134 277 R CA 2.417 58.541 56.100 0.040 0.000 0.975 277 R CB -0.130 30.178 30.300 0.014 0.000 0.865 277 R HN 0.614 nan 8.270 nan 0.000 0.447 278 E N -0.892 119.318 120.200 0.016 0.000 2.338 278 E HA -0.022 4.325 4.350 -0.004 0.000 0.197 278 E C 0.979 177.582 176.600 0.006 0.000 1.007 278 E CA 1.214 57.619 56.400 0.008 0.000 0.849 278 E CB 0.025 29.728 29.700 0.006 0.000 0.774 278 E HN 0.114 nan 8.360 nan 0.000 0.506 279 S N 0.090 115.796 115.700 0.010 0.000 2.572 279 S HA 0.212 4.680 4.470 -0.004 0.000 0.228 279 S C -0.020 174.557 174.600 -0.038 0.000 0.963 279 S CA -0.366 57.832 58.200 -0.004 0.000 0.939 279 S CB 0.518 63.724 63.200 0.010 0.000 0.804 279 S HN -0.015 nan 8.310 nan 0.000 0.480 280 V N 2.301 122.199 119.914 -0.027 0.000 2.495 280 V HA 0.473 4.591 4.120 -0.004 0.000 0.298 280 V C -0.516 175.553 176.094 -0.042 0.000 1.031 280 V CA -0.677 61.587 62.300 -0.060 0.000 0.871 280 V CB 1.763 33.622 31.823 0.059 0.000 0.988 280 V HN 0.290 nan 8.190 nan 0.000 0.432 281 I N 5.495 126.017 120.570 -0.080 0.000 2.328 281 I HA 0.312 4.480 4.170 -0.004 0.000 0.287 281 I C -0.590 175.508 176.117 -0.032 0.000 1.012 281 I CA -0.610 60.662 61.300 -0.048 0.000 1.195 281 I CB 1.540 39.502 38.000 -0.063 0.000 1.350 281 I HN 0.377 nan 8.210 nan 0.000 0.464 282 L N 6.950 128.179 121.223 0.011 0.000 2.278 282 L HA 0.374 4.712 4.340 -0.004 0.000 0.287 282 L C 0.110 176.984 176.870 0.006 0.000 1.072 282 L CA 0.634 55.493 54.840 0.032 0.000 0.819 282 L CB 1.031 43.118 42.059 0.047 0.000 1.176 282 L HN 0.561 nan 8.230 nan 0.000 0.435 283 S N 5.464 121.157 115.700 -0.012 0.000 2.513 283 S HA 0.767 5.234 4.470 -0.004 0.000 0.299 283 S C -0.876 173.720 174.600 -0.007 0.000 1.087 283 S CA -0.769 57.416 58.200 -0.025 0.000 1.012 283 S CB 0.847 64.015 63.200 -0.054 0.000 1.044 283 S HN 0.544 nan 8.310 nan 0.000 0.485 284 L N 3.589 124.831 121.223 0.033 0.000 2.334 284 L HA 0.527 4.865 4.340 -0.004 0.000 0.276 284 L C -0.652 176.302 176.870 0.141 0.000 1.014 284 L CA -0.754 54.162 54.840 0.126 0.000 0.815 284 L CB 1.810 43.967 42.059 0.164 0.000 1.268 284 L HN 0.883 nan 8.230 nan 0.000 0.428 285 H N 2.569 121.686 119.070 0.078 0.000 2.538 285 H HA 0.350 4.903 4.556 -0.005 0.000 0.239 285 H C -2.683 172.629 175.328 -0.028 0.000 1.401 285 H CA -1.428 54.619 56.048 -0.001 0.000 1.499 285 H CB 1.154 30.916 29.762 0.000 0.000 1.624 285 H HN 0.282 nan 8.280 nan 0.000 0.524 286 P HA 0.178 nan 4.420 nan 0.000 0.279 286 P C -0.613 176.588 177.300 -0.164 0.000 1.239 286 P CA -0.116 62.892 63.100 -0.153 0.000 0.789 286 P CB 1.150 32.725 31.700 -0.207 0.000 0.933 287 H N 0.544 119.573 119.070 -0.069 0.000 2.649 287 H HA 0.423 4.977 4.556 -0.004 0.000 0.337 287 H C 0.486 175.771 175.328 -0.071 0.000 1.282 287 H CA -0.355 55.668 56.048 -0.041 0.000 1.333 287 H CB 0.722 30.488 29.762 0.007 0.000 1.787 287 H HN 0.253 nan 8.280 nan 0.000 0.632 288 N N -0.109 118.649 118.700 0.096 0.000 2.282 288 N HA 0.016 4.753 4.740 -0.004 0.000 0.240 288 N C -0.070 175.444 175.510 0.006 0.000 1.182 288 N CA 0.018 53.077 53.050 0.015 0.000 0.874 288 N CB 0.289 38.779 38.487 0.004 0.000 1.126 288 N HN 0.495 nan 8.380 nan 0.000 0.516 289 D N 0.027 120.436 120.400 0.015 0.000 2.190 289 D HA -0.166 4.471 4.640 -0.004 0.000 0.200 289 D C 0.836 177.122 176.300 -0.024 0.000 0.992 289 D CA 0.999 54.996 54.000 -0.006 0.000 0.854 289 D CB 0.233 41.027 40.800 -0.009 0.000 0.936 289 D HN 0.438 nan 8.370 nan 0.000 0.462 290 R N -0.580 119.900 120.500 -0.033 0.000 2.432 290 R HA 0.226 4.564 4.340 -0.004 0.000 0.260 290 R C 1.182 177.457 176.300 -0.040 0.000 0.935 290 R CA 0.327 56.402 56.100 -0.041 0.000 1.080 290 R CB 0.963 31.232 30.300 -0.052 0.000 1.155 290 R HN 0.103 nan 8.270 nan 0.000 0.531 291 G N 1.443 110.221 108.800 -0.037 0.000 2.148 291 G HA2 -0.316 3.641 3.960 -0.004 0.000 0.254 291 G HA3 -0.316 3.641 3.960 -0.004 0.000 0.254 291 G C 0.631 175.506 174.900 -0.041 0.000 0.981 291 G CA 0.978 46.055 45.100 -0.037 0.000 0.670 291 G HN 0.429 nan 8.290 nan 0.000 0.528 292 T N -3.457 111.068 114.554 -0.049 0.000 3.266 292 T HA 0.710 5.058 4.350 -0.004 0.000 0.278 292 T C 1.898 176.557 174.700 -0.070 0.000 1.010 292 T CA 0.949 63.018 62.100 -0.052 0.000 0.909 292 T CB 0.879 69.717 68.868 -0.051 0.000 1.122 292 T HN 1.260 nan 8.240 nan 0.000 0.536 293 A N 1.468 124.246 122.820 -0.070 0.000 1.883 293 A HA 0.018 4.336 4.320 -0.004 0.000 0.217 293 A C 2.331 179.879 177.584 -0.061 0.000 1.186 293 A CA 1.742 53.725 52.037 -0.090 0.000 0.624 293 A CB -1.126 17.828 19.000 -0.078 0.000 0.822 293 A HN 0.439 nan 8.150 nan 0.000 0.444 294 V N -0.219 119.676 119.914 -0.031 0.000 2.282 294 V HA -0.320 3.797 4.120 -0.004 0.000 0.249 294 V C 3.027 179.132 176.094 0.019 0.000 1.057 294 V CA 2.277 64.580 62.300 0.004 0.000 1.032 294 V CB -1.217 30.614 31.823 0.013 0.000 0.645 294 V HN 0.650 nan 8.190 nan 0.000 0.447 295 A N -0.505 122.316 122.820 0.001 0.000 1.929 295 A HA 0.043 4.360 4.320 -0.004 0.000 0.216 295 A C 2.417 180.000 177.584 -0.002 0.000 1.176 295 A CA 1.664 53.707 52.037 0.010 0.000 0.628 295 A CB -0.696 18.304 19.000 0.000 0.000 0.816 295 A HN 0.566 nan 8.150 nan 0.000 0.444 296 A N 0.181 122.982 122.820 -0.032 0.000 1.908 296 A HA 0.077 4.394 4.320 -0.004 0.000 0.218 296 A C 2.495 180.147 177.584 0.114 0.000 1.181 296 A CA 2.276 54.307 52.037 -0.010 0.000 0.627 296 A CB -1.022 17.836 19.000 -0.237 0.000 0.818 296 A HN 1.043 nan 8.150 nan 0.000 0.445 297 A N -0.535 122.328 122.820 0.071 0.000 1.898 297 A HA -0.155 4.163 4.320 -0.004 0.000 0.216 297 A C 1.961 179.632 177.584 0.145 0.000 1.181 297 A CA 1.687 53.793 52.037 0.116 0.000 0.620 297 A CB -0.473 18.572 19.000 0.075 0.000 0.819 297 A HN 0.637 nan 8.150 nan 0.000 0.442 298 E N -0.355 119.919 120.200 0.123 0.000 2.107 298 E HA -0.037 4.311 4.350 -0.004 0.000 0.191 298 E C 1.977 178.655 176.600 0.130 0.000 0.982 298 E CA 0.823 57.318 56.400 0.158 0.000 0.809 298 E CB -0.162 29.618 29.700 0.134 0.000 0.756 298 E HN 0.591 nan 8.360 nan 0.000 0.459 299 L N 0.020 121.261 121.223 0.030 0.000 2.095 299 L HA -0.017 4.320 4.340 -0.004 0.000 0.204 299 L C 2.586 179.349 176.870 -0.179 0.000 1.080 299 L CA 1.043 55.813 54.840 -0.117 0.000 0.759 299 L CB -0.761 41.066 42.059 -0.386 0.000 0.914 299 L HN 0.241 nan 8.230 nan 0.000 0.439 300 G N -0.035 108.709 108.800 -0.093 0.000 2.476 300 G HA2 -0.341 3.616 3.960 -0.004 0.000 0.218 300 G HA3 -0.341 3.616 3.960 -0.004 0.000 0.218 300 G C 1.594 176.537 174.900 0.071 0.000 1.164 300 G CA 0.797 45.869 45.100 -0.047 0.000 0.768 300 G HN 0.334 nan 8.290 nan 0.000 0.560 301 F N 1.987 121.924 119.950 -0.023 0.000 2.102 301 F HA 0.042 4.566 4.527 -0.005 0.000 0.298 301 F C 2.893 178.697 175.800 0.007 0.000 1.105 301 F CA 1.190 59.176 58.000 -0.023 0.000 1.239 301 F CB 0.056 39.036 39.000 -0.034 0.000 0.991 301 F HN 0.244 nan 8.300 nan 0.000 0.474 302 A N 0.245 123.039 122.820 -0.043 0.000 2.076 302 A HA -0.133 4.185 4.320 -0.004 0.000 0.220 302 A C 2.094 179.717 177.584 0.065 0.000 1.160 302 A CA 1.513 53.527 52.037 -0.040 0.000 0.653 302 A CB -1.248 17.824 19.000 0.121 0.000 0.801 302 A HN 0.492 nan 8.150 nan 0.000 0.455 303 A N -2.290 120.571 122.820 0.069 0.000 2.208 303 A HA 0.425 4.742 4.320 -0.004 0.000 0.209 303 A C 1.697 179.312 177.584 0.051 0.000 1.161 303 A CA 1.282 53.393 52.037 0.123 0.000 0.782 303 A CB -0.521 18.457 19.000 -0.036 0.000 0.816 303 A HN 1.747 nan 8.150 nan 0.000 0.477 304 G N -2.353 106.434 108.800 -0.021 0.000 2.205 304 G HA2 0.199 4.156 3.960 -0.004 0.000 0.180 304 G HA3 0.199 4.156 3.960 -0.004 0.000 0.180 304 G C 0.512 175.420 174.900 0.014 0.000 1.004 304 G CA 0.090 45.174 45.100 -0.028 0.000 0.670 304 G HN 1.397 nan 8.290 nan 0.000 0.496 305 A N 0.186 123.047 122.820 0.069 0.000 2.475 305 A HA 0.508 4.826 4.320 -0.004 0.000 0.239 305 A C 1.062 178.800 177.584 0.257 0.000 1.087 305 A CA 1.217 53.335 52.037 0.136 0.000 0.779 305 A CB 0.266 19.350 19.000 0.140 0.000 1.036 305 A HN 0.198 nan 8.150 nan 0.000 0.506 306 D N -0.990 119.508 120.400 0.163 0.000 2.473 306 D HA 0.156 4.794 4.640 -0.004 0.000 0.230 306 D C 0.588 176.861 176.300 -0.044 0.000 1.097 306 D CA 0.498 54.580 54.000 0.135 0.000 0.861 306 D CB 0.500 41.325 40.800 0.042 0.000 1.114 306 D HN 0.550 nan 8.370 nan 0.000 0.500 307 R N 0.450 120.886 120.500 -0.106 0.000 2.643 307 R HA 0.570 4.907 4.340 -0.004 0.000 0.269 307 R C -1.887 174.315 176.300 -0.164 0.000 1.037 307 R CA -0.455 55.531 56.100 -0.190 0.000 0.894 307 R CB 1.777 32.015 30.300 -0.104 0.000 1.238 307 R HN -0.191 nan 8.270 nan 0.000 0.459 308 I N 2.514 122.981 120.570 -0.172 0.000 2.534 308 I HA 0.307 4.474 4.170 -0.004 0.000 0.288 308 I C -0.686 175.443 176.117 0.019 0.000 1.077 308 I CA -0.750 60.512 61.300 -0.064 0.000 1.051 308 I CB 2.363 40.321 38.000 -0.071 0.000 1.234 308 I HN 0.517 nan 8.210 nan 0.000 0.425 309 E N 4.365 124.547 120.200 -0.031 0.000 2.175 309 E HA 0.722 5.069 4.350 -0.004 0.000 0.278 309 E C -0.130 176.314 176.600 -0.259 0.000 0.969 309 E CA -0.585 55.760 56.400 -0.092 0.000 0.796 309 E CB 2.540 32.227 29.700 -0.020 0.000 1.104 309 E HN 0.823 nan 8.360 nan 0.000 0.395 310 G N 0.948 109.619 108.800 -0.216 0.000 2.606 310 G HA2 0.461 4.419 3.960 -0.004 0.000 0.300 310 G HA3 0.461 4.419 3.960 -0.004 0.000 0.300 310 G C -1.278 173.488 174.900 -0.223 0.000 1.360 310 G CA -0.432 44.519 45.100 -0.250 0.000 0.783 310 G HN 0.593 nan 8.290 nan 0.000 0.484 311 C N -0.462 118.722 119.300 -0.194 0.000 2.614 311 C HA 0.674 5.131 4.460 -0.004 0.000 0.320 311 C C 0.386 175.271 174.990 -0.175 0.000 1.200 311 C CA -0.623 58.292 59.018 -0.170 0.000 1.700 311 C CB 1.003 28.680 27.740 -0.104 0.000 2.275 311 C HN 0.675 nan 8.230 nan 0.000 0.492 312 L N 2.429 123.540 121.223 -0.185 0.000 2.462 312 L HA 0.175 4.513 4.340 -0.004 0.000 0.272 312 L C 0.093 176.908 176.870 -0.092 0.000 1.166 312 L CA 0.412 55.116 54.840 -0.227 0.000 0.880 312 L CB -0.262 41.709 42.059 -0.146 0.000 1.142 312 L HN 0.828 nan 8.230 nan 0.000 0.473 313 F N 2.085 121.984 119.950 -0.085 0.000 3.100 313 F HA -0.264 4.260 4.527 -0.005 0.000 0.283 313 F C 1.496 177.292 175.800 -0.007 0.000 0.900 313 F CA 0.729 58.629 58.000 -0.166 0.000 1.010 313 F CB -1.972 36.803 39.000 -0.375 0.000 1.029 313 F HN 0.860 nan 8.300 nan 0.000 0.637 314 G N -0.205 108.665 108.800 0.116 0.000 2.160 314 G HA2 -0.386 3.571 3.960 -0.004 0.000 0.251 314 G HA3 -0.386 3.571 3.960 -0.004 0.000 0.251 314 G C 0.095 175.028 174.900 0.056 0.000 1.008 314 G CA 0.246 45.402 45.100 0.094 0.000 0.724 314 G HN 0.725 nan 8.290 nan 0.000 0.514 315 N N 0.529 119.250 118.700 0.036 0.000 2.399 315 N HA 0.605 5.342 4.740 -0.004 0.000 0.250 315 N C 0.733 176.248 175.510 0.007 0.000 1.272 315 N CA 1.840 54.906 53.050 0.026 0.000 0.928 315 N CB 0.827 39.325 38.487 0.018 0.000 1.158 315 N HN 1.576 nan 8.380 nan 0.000 0.463 316 G N 0.303 109.119 108.800 0.027 0.000 2.351 316 G HA2 -0.008 3.949 3.960 -0.004 0.000 0.353 316 G HA3 -0.008 3.949 3.960 -0.004 0.000 0.353 316 G C -1.513 173.440 174.900 0.088 0.000 1.358 316 G CA -0.832 44.300 45.100 0.053 0.000 0.995 316 G HN 0.544 nan 8.290 nan 0.000 0.611 317 E N 0.490 120.771 120.200 0.135 0.000 2.404 317 E HA 0.343 4.690 4.350 -0.004 0.000 0.261 317 E C 1.241 177.899 176.600 0.096 0.000 1.074 317 E CA 0.266 56.727 56.400 0.100 0.000 0.917 317 E CB 0.848 30.603 29.700 0.091 0.000 0.965 317 E HN 0.670 nan 8.360 nan 0.000 0.433 318 R N -0.594 119.938 120.500 0.054 0.000 3.844 318 R HA -0.329 4.009 4.340 -0.004 0.000 0.414 318 R C 1.864 178.187 176.300 0.040 0.000 0.248 318 R CA 2.608 58.730 56.100 0.037 0.000 1.320 318 R CB -1.921 28.395 30.300 0.026 0.000 0.937 318 R HN 0.758 nan 8.270 nan 0.000 0.585 319 T N -0.371 114.211 114.554 0.046 0.000 3.118 319 T HA 0.335 4.682 4.350 -0.004 0.000 0.260 319 T C 0.937 175.671 174.700 0.057 0.000 1.139 319 T CA 0.907 63.030 62.100 0.038 0.000 1.085 319 T CB 0.305 69.188 68.868 0.025 0.000 0.934 319 T HN 1.210 nan 8.240 nan 0.000 0.518 320 G N 0.914 109.769 108.800 0.092 0.000 2.603 320 G HA2 -0.093 3.865 3.960 -0.004 0.000 0.686 320 G HA3 -0.093 3.865 3.960 -0.004 0.000 0.686 320 G C -1.079 173.825 174.900 0.007 0.000 1.286 320 G CA -0.787 44.351 45.100 0.064 0.000 0.871 320 G HN 0.443 nan 8.290 nan 0.000 0.568 321 N N -1.259 117.376 118.700 -0.108 0.000 2.434 321 N HA 0.405 5.142 4.740 -0.004 0.000 0.266 321 N C 0.595 175.991 175.510 -0.189 0.000 1.223 321 N CA -0.123 52.750 53.050 -0.295 0.000 0.972 321 N CB 1.908 40.191 38.487 -0.339 0.000 1.207 321 N HN 0.723 nan 8.380 nan 0.000 0.525 322 V N 0.875 120.653 119.914 -0.227 0.000 2.788 322 V HA -0.105 4.012 4.120 -0.004 0.000 0.307 322 V C 0.411 176.452 176.094 -0.088 0.000 1.069 322 V CA -0.269 61.957 62.300 -0.124 0.000 1.173 322 V CB 0.397 32.157 31.823 -0.105 0.000 0.925 322 V HN 0.756 nan 8.190 nan 0.000 0.492 323 C N 7.492 126.772 119.300 -0.032 0.000 2.624 323 C HA 0.246 4.704 4.460 -0.004 0.000 0.397 323 C C 1.637 176.569 174.990 -0.097 0.000 1.331 323 C CA -0.465 58.537 59.018 -0.026 0.000 1.716 323 C CB -1.595 26.209 27.740 0.107 0.000 2.452 323 C HN 0.992 nan 8.230 nan 0.000 0.586 324 L N 5.152 126.271 121.223 -0.174 0.000 2.191 324 L HA -0.084 4.254 4.340 -0.004 0.000 0.212 324 L C 2.249 178.937 176.870 -0.302 0.000 1.103 324 L CA 1.061 55.755 54.840 -0.244 0.000 0.769 324 L CB -0.345 41.545 42.059 -0.281 0.000 0.908 324 L HN 0.716 nan 8.230 nan 0.000 0.438 325 V N -0.859 118.848 119.914 -0.344 0.000 2.302 325 V HA -0.219 3.899 4.120 -0.004 0.000 0.243 325 V C 2.514 178.286 176.094 -0.537 0.000 1.036 325 V CA 2.123 64.103 62.300 -0.534 0.000 1.020 325 V CB -0.489 30.869 31.823 -0.776 0.000 0.657 325 V HN 0.420 nan 8.190 nan 0.000 0.453 326 T N 0.823 115.274 114.554 -0.171 0.000 2.635 326 T HA -0.206 4.142 4.350 -0.004 0.000 0.267 326 T C 1.911 176.584 174.700 -0.046 0.000 1.040 326 T CA 1.844 63.966 62.100 0.037 0.000 1.156 326 T CB -0.386 68.553 68.868 0.119 0.000 0.863 326 T HN 0.251 nan 8.240 nan 0.000 0.430 327 L N 0.515 121.701 121.223 -0.061 0.000 1.989 327 L HA -0.076 4.261 4.340 -0.004 0.000 0.211 327 L C 3.042 179.916 176.870 0.006 0.000 1.071 327 L CA 1.625 56.491 54.840 0.043 0.000 0.749 327 L CB -1.002 41.155 42.059 0.162 0.000 0.890 327 L HN 0.386 nan 8.230 nan 0.000 0.431 328 G N -0.435 108.207 108.800 -0.262 0.000 2.408 328 G HA2 -0.166 3.791 3.960 -0.004 0.000 0.217 328 G HA3 -0.166 3.791 3.960 -0.004 0.000 0.217 328 G C 1.602 176.309 174.900 -0.323 0.000 1.150 328 G CA 0.341 45.327 45.100 -0.191 0.000 0.776 328 G HN 0.231 nan 8.290 nan 0.000 0.542 329 L N 0.431 121.166 121.223 -0.813 0.000 2.291 329 L HA 0.043 4.380 4.340 -0.004 0.000 0.214 329 L C 2.304 178.981 176.870 -0.322 0.000 1.120 329 L CA 0.224 54.557 54.840 -0.844 0.000 0.799 329 L CB -0.194 40.760 42.059 -1.842 0.000 0.925 329 L HN 0.104 nan 8.230 nan 0.000 0.446 330 N N -0.118 118.529 118.700 -0.088 0.000 2.396 330 N HA -0.058 4.679 4.740 -0.004 0.000 0.180 330 N C 1.835 177.424 175.510 0.130 0.000 1.028 330 N CA 0.891 54.029 53.050 0.146 0.000 0.893 330 N CB 0.002 38.588 38.487 0.167 0.000 0.967 330 N HN 0.290 nan 8.380 nan 0.000 0.440 331 L N -0.729 120.573 121.223 0.131 0.000 2.007 331 L HA -0.070 4.267 4.340 -0.004 0.000 0.205 331 L C 2.078 179.038 176.870 0.150 0.000 1.073 331 L CA 0.822 55.761 54.840 0.164 0.000 0.744 331 L CB -0.651 41.547 42.059 0.232 0.000 0.898 331 L HN 0.014 nan 8.230 nan 0.000 0.435 332 F N 1.794 121.748 119.950 0.007 0.000 2.045 332 F HA -0.385 4.139 4.527 -0.005 0.000 0.297 332 F C 2.754 178.560 175.800 0.010 0.000 1.114 332 F CA 2.145 60.141 58.000 -0.007 0.000 1.207 332 F CB -0.531 38.427 39.000 -0.071 0.000 0.964 332 F HN 0.165 nan 8.300 nan 0.000 0.486 333 S N -0.524 115.100 115.700 -0.128 0.000 2.555 333 S HA 0.008 4.475 4.470 -0.004 0.000 0.230 333 S C 1.514 176.055 174.600 -0.098 0.000 0.978 333 S CA 0.299 58.386 58.200 -0.188 0.000 0.934 333 S CB -0.377 62.893 63.200 0.118 0.000 0.766 333 S HN 0.416 nan 8.310 nan 0.000 0.533 334 R N 0.665 121.138 120.500 -0.044 0.000 2.586 334 R HA 0.315 4.653 4.340 -0.004 0.000 0.336 334 R C 1.160 177.443 176.300 -0.029 0.000 1.060 334 R CA 0.436 56.528 56.100 -0.015 0.000 1.079 334 R CB 0.014 30.337 30.300 0.038 0.000 1.317 334 R HN 0.575 nan 8.270 nan 0.000 0.568 335 G N 0.613 109.358 108.800 -0.092 0.000 2.143 335 G HA2 -0.244 3.713 3.960 -0.004 0.000 0.249 335 G HA3 -0.244 3.713 3.960 -0.004 0.000 0.249 335 G C -0.038 174.862 174.900 0.000 0.000 0.981 335 G CA 0.107 45.166 45.100 -0.067 0.000 0.665 335 G HN 0.151 nan 8.290 nan 0.000 0.528 336 V N 1.045 120.984 119.914 0.042 0.000 2.409 336 V HA 0.454 4.572 4.120 -0.004 0.000 0.291 336 V C 0.050 176.233 176.094 0.148 0.000 1.020 336 V CA -0.943 61.413 62.300 0.092 0.000 0.848 336 V CB 1.818 33.708 31.823 0.112 0.000 0.990 336 V HN 0.327 nan 8.190 nan 0.000 0.430 337 D N 7.946 128.430 120.400 0.140 0.000 2.389 337 D HA 0.096 4.733 4.640 -0.004 0.000 0.263 337 D C -1.097 175.322 176.300 0.199 0.000 1.255 337 D CA -1.524 52.576 54.000 0.167 0.000 0.914 337 D CB 1.602 42.469 40.800 0.112 0.000 1.116 337 D HN 0.302 nan 8.370 nan 0.000 0.502 338 P HA -0.093 nan 4.420 nan 0.000 0.237 338 P C -0.117 177.367 177.300 0.306 0.000 1.178 338 P CA 0.480 63.794 63.100 0.356 0.000 0.766 338 P CB 0.242 32.166 31.700 0.374 0.000 0.876 339 Q N -1.502 118.375 119.800 0.129 0.000 2.489 339 Q HA -0.130 4.207 4.340 -0.004 0.000 0.259 339 Q C -0.191 175.735 176.000 -0.124 0.000 0.934 339 Q CA 0.552 56.375 55.803 0.035 0.000 1.131 339 Q CB -1.186 27.604 28.738 0.086 0.000 1.472 339 Q HN 0.366 nan 8.270 nan 0.000 0.560 340 I N 0.000 120.419 120.570 -0.252 0.000 2.802 340 I HA 0.300 4.467 4.170 -0.004 0.000 0.298 340 I C -0.388 175.304 176.117 -0.708 0.000 1.176 340 I CA -0.715 60.196 61.300 -0.648 0.000 1.025 340 I CB 2.070 39.451 38.000 -1.032 0.000 1.243 340 I HN -0.090 nan 8.210 nan 0.000 0.424 341 D N 3.676 123.607 120.400 -0.782 0.000 2.280 341 D HA 0.479 5.117 4.640 -0.004 0.000 0.236 341 D C -0.501 175.365 176.300 -0.724 0.000 1.082 341 D CA 0.014 53.674 54.000 -0.567 0.000 0.834 341 D CB 0.680 41.266 40.800 -0.356 0.000 1.100 341 D HN 0.291 nan 8.370 nan 0.000 0.486 342 F N 1.759 121.527 119.950 -0.304 0.000 2.735 342 F HA 0.110 4.635 4.527 -0.004 0.000 0.308 342 F C 2.224 177.862 175.800 -0.270 0.000 1.112 342 F CA -0.393 57.434 58.000 -0.289 0.000 1.235 342 F CB 0.289 39.070 39.000 -0.366 0.000 1.027 342 F HN 0.405 nan 8.300 nan 0.000 0.528 343 S N 0.375 115.994 115.700 -0.135 0.000 2.420 343 S HA -0.224 4.244 4.470 -0.004 0.000 0.237 343 S C 0.964 175.515 174.600 -0.083 0.000 1.023 343 S CA 1.661 59.780 58.200 -0.134 0.000 0.991 343 S CB -0.288 62.836 63.200 -0.127 0.000 0.792 343 S HN 0.328 nan 8.310 nan 0.000 0.488 344 N N 0.203 118.870 118.700 -0.055 0.000 2.762 344 N HA 0.336 5.073 4.740 -0.004 0.000 0.252 344 N C 0.040 175.569 175.510 0.032 0.000 1.269 344 N CA -0.348 52.691 53.050 -0.019 0.000 0.799 344 N CB 0.432 38.902 38.487 -0.029 0.000 1.173 344 N HN 0.387 nan 8.380 nan 0.000 0.516 345 I N 0.680 121.295 120.570 0.076 0.000 2.439 345 I HA -0.150 4.017 4.170 -0.004 0.000 0.251 345 I C 0.859 177.074 176.117 0.164 0.000 1.139 345 I CA 0.964 62.364 61.300 0.167 0.000 1.438 345 I CB 0.370 38.500 38.000 0.217 0.000 1.085 345 I HN 0.303 nan 8.210 nan 0.000 0.427 346 D N 0.828 121.287 120.400 0.098 0.000 2.116 346 D HA -0.269 4.368 4.640 -0.004 0.000 0.193 346 D C 1.982 178.310 176.300 0.047 0.000 0.998 346 D CA 1.326 55.361 54.000 0.060 0.000 0.836 346 D CB -0.141 40.678 40.800 0.033 0.000 0.951 346 D HN 0.313 nan 8.370 nan 0.000 0.449 347 E N 0.482 120.705 120.200 0.038 0.000 2.058 347 E HA -0.139 4.209 4.350 -0.004 0.000 0.194 347 E C 2.186 178.820 176.600 0.057 0.000 0.997 347 E CA 0.820 57.236 56.400 0.027 0.000 0.801 347 E CB -0.402 29.301 29.700 0.006 0.000 0.746 347 E HN 0.339 nan 8.360 nan 0.000 0.450 348 I N 0.166 120.793 120.570 0.095 0.000 2.127 348 I HA -0.295 3.873 4.170 -0.004 0.000 0.241 348 I C 2.808 179.059 176.117 0.224 0.000 1.075 348 I CA 1.625 63.018 61.300 0.156 0.000 1.334 348 I CB -0.420 37.695 38.000 0.192 0.000 1.040 348 I HN 0.119 nan 8.210 nan 0.000 0.405 349 R N 1.184 121.821 120.500 0.229 0.000 2.091 349 R HA -0.229 4.108 4.340 -0.004 0.000 0.238 349 R C 2.691 178.982 176.300 -0.014 0.000 1.136 349 R CA 2.056 58.173 56.100 0.029 0.000 0.959 349 R CB -0.254 29.952 30.300 -0.157 0.000 0.856 349 R HN 0.301 nan 8.270 nan 0.000 0.437 350 R N 0.173 120.683 120.500 0.016 0.000 2.075 350 R HA -0.073 4.264 4.340 -0.004 0.000 0.232 350 R C 2.292 178.633 176.300 0.068 0.000 1.126 350 R CA 2.039 58.150 56.100 0.018 0.000 0.963 350 R CB -1.820 28.482 30.300 0.003 0.000 0.858 350 R HN 0.482 nan 8.270 nan 0.000 0.435 351 T N 0.378 114.982 114.554 0.083 0.000 2.737 351 T HA -0.107 4.241 4.350 -0.004 0.000 0.265 351 T C 2.171 176.964 174.700 0.155 0.000 1.038 351 T CA 1.488 63.668 62.100 0.134 0.000 1.144 351 T CB -0.325 68.602 68.868 0.099 0.000 0.866 351 T HN 0.192 nan 8.240 nan 0.000 0.434 352 V N 1.725 121.711 119.914 0.121 0.000 2.287 352 V HA -0.199 3.918 4.120 -0.004 0.000 0.248 352 V C 2.537 178.662 176.094 0.053 0.000 1.053 352 V CA 1.741 64.103 62.300 0.103 0.000 1.027 352 V CB -0.622 31.323 31.823 0.204 0.000 0.646 352 V HN 0.555 nan 8.190 nan 0.000 0.447 353 E N -1.069 119.147 120.200 0.028 0.000 2.153 353 E HA -0.263 4.084 4.350 -0.004 0.000 0.194 353 E C 2.076 178.708 176.600 0.052 0.000 0.988 353 E CA 1.695 58.100 56.400 0.008 0.000 0.811 353 E CB -0.227 29.461 29.700 -0.020 0.000 0.746 353 E HN 0.785 nan 8.360 nan 0.000 0.466 354 Y N 0.598 120.889 120.300 -0.016 0.000 2.184 354 Y HA -0.202 4.345 4.550 -0.004 0.000 0.290 354 Y C 2.191 178.088 175.900 -0.006 0.000 1.129 354 Y CA 1.018 59.113 58.100 -0.009 0.000 1.144 354 Y CB -0.546 37.912 38.460 -0.004 0.000 0.995 354 Y HN 0.011 nan 8.280 nan 0.000 0.513 355 C N 0.964 120.147 119.300 -0.195 0.000 2.440 355 C HA -0.120 4.337 4.460 -0.004 0.000 0.278 355 C C 2.333 177.205 174.990 -0.197 0.000 1.295 355 C CA 1.466 60.330 59.018 -0.256 0.000 1.738 355 C CB -1.164 26.538 27.740 -0.063 0.000 1.987 355 C HN 0.613 nan 8.230 nan 0.000 0.492 356 N N -0.215 118.418 118.700 -0.111 0.000 2.409 356 N HA -0.007 4.731 4.740 -0.004 0.000 0.174 356 N C 0.628 176.090 175.510 -0.079 0.000 1.037 356 N CA 0.312 53.316 53.050 -0.077 0.000 0.898 356 N CB -0.347 38.120 38.487 -0.033 0.000 1.010 356 N HN 0.533 nan 8.380 nan 0.000 0.445 357 Q N -0.311 119.439 119.800 -0.084 0.000 2.475 357 Q HA -0.173 4.164 4.340 -0.004 0.000 0.280 357 Q C -1.129 174.851 176.000 -0.033 0.000 1.234 357 Q CA 0.507 56.275 55.803 -0.057 0.000 0.873 357 Q CB -1.681 27.013 28.738 -0.073 0.000 1.256 357 Q HN 0.352 nan 8.270 nan 0.000 0.475 358 L N 0.258 121.463 121.223 -0.029 0.000 2.401 358 L HA 0.652 4.989 4.340 -0.004 0.000 0.266 358 L C -2.121 174.730 176.870 -0.031 0.000 0.991 358 L CA -2.171 52.657 54.840 -0.020 0.000 0.818 358 L CB 1.763 43.815 42.059 -0.012 0.000 1.321 358 L HN -0.139 nan 8.230 nan 0.000 0.413 359 P HA 0.182 nan 4.420 nan 0.000 0.281 359 P C -0.708 176.541 177.300 -0.084 0.000 1.249 359 P CA -0.387 62.681 63.100 -0.053 0.000 0.810 359 P CB 1.605 33.292 31.700 -0.021 0.000 1.008 360 V N 3.489 123.285 119.914 -0.196 0.000 2.508 360 V HA 0.042 4.159 4.120 -0.004 0.000 0.281 360 V C 1.220 177.268 176.094 -0.077 0.000 1.041 360 V CA -0.276 61.851 62.300 -0.288 0.000 1.016 360 V CB -0.426 30.932 31.823 -0.775 0.000 0.984 360 V HN 0.629 nan 8.190 nan 0.000 0.478 361 H N 3.179 122.225 119.070 -0.040 0.000 2.771 361 H HA 0.043 4.597 4.556 -0.004 0.000 0.364 361 H C 0.911 176.242 175.328 0.004 0.000 1.133 361 H CA -0.173 55.879 56.048 0.006 0.000 1.423 361 H CB 1.107 30.902 29.762 0.054 0.000 1.425 361 H HN 0.760 nan 8.280 nan 0.000 0.606 362 E N 2.198 122.035 120.200 -0.607 0.000 2.209 362 E HA -0.145 4.202 4.350 -0.004 0.000 0.196 362 E C 1.418 177.882 176.600 -0.227 0.000 0.993 362 E CA 1.132 57.306 56.400 -0.377 0.000 0.819 362 E CB 0.166 29.630 29.700 -0.393 0.000 0.745 362 E HN 0.506 nan 8.360 nan 0.000 0.477 363 R N -0.438 119.949 120.500 -0.189 0.000 2.397 363 R HA 0.121 4.458 4.340 -0.004 0.000 0.241 363 R C -0.104 176.225 176.300 0.049 0.000 0.914 363 R CA -0.196 55.893 56.100 -0.017 0.000 1.071 363 R CB 0.019 30.356 30.300 0.062 0.000 1.116 363 R HN 0.250 nan 8.270 nan 0.000 0.524 364 H N 2.870 121.961 119.070 0.035 0.000 3.070 364 H HA 0.033 4.587 4.556 -0.004 0.000 0.313 364 H C -2.156 173.197 175.328 0.042 0.000 0.997 364 H CA -0.948 55.148 56.048 0.081 0.000 1.438 364 H CB 0.597 30.431 29.762 0.122 0.000 1.455 364 H HN -0.144 nan 8.280 nan 0.000 0.575 365 P HA -0.164 nan 4.420 nan 0.000 0.263 365 P C -0.391 176.986 177.300 0.129 0.000 1.175 365 P CA 0.837 63.852 63.100 -0.142 0.000 0.761 365 P CB 0.128 31.698 31.700 -0.216 0.000 0.794 366 Y N 0.841 121.174 120.300 0.054 0.000 3.049 366 Y HA -0.325 4.222 4.550 -0.005 0.000 0.478 366 Y C 2.021 178.045 175.900 0.207 0.000 1.177 366 Y CA 2.184 60.361 58.100 0.129 0.000 2.663 366 Y CB -2.408 36.116 38.460 0.107 0.000 0.854 366 Y HN 0.521 nan 8.280 nan 0.000 0.525 367 G N -0.537 108.523 108.800 0.434 0.000 2.656 367 G HA2 0.384 4.341 3.960 -0.004 0.000 0.211 367 G HA3 0.384 4.341 3.960 -0.004 0.000 0.211 367 G C 1.072 176.022 174.900 0.083 0.000 1.137 367 G CA 0.397 45.710 45.100 0.355 0.000 0.802 367 G HN 0.720 nan 8.290 nan 0.000 0.527 368 G N 0.119 108.950 108.800 0.052 0.000 2.572 368 G HA2 0.324 4.281 3.960 -0.004 0.000 0.261 368 G HA3 0.324 4.281 3.960 -0.004 0.000 0.261 368 G C 0.407 175.268 174.900 -0.065 0.000 1.197 368 G CA -0.110 44.968 45.100 -0.038 0.000 0.870 368 G HN -0.010 nan 8.290 nan 0.000 0.548 369 D N 0.181 120.534 120.400 -0.080 0.000 2.133 369 D HA -0.133 4.504 4.640 -0.004 0.000 0.195 369 D C 2.235 178.503 176.300 -0.055 0.000 0.997 369 D CA 1.137 55.104 54.000 -0.054 0.000 0.840 369 D CB 0.091 40.854 40.800 -0.062 0.000 0.947 369 D HN 0.268 nan 8.370 nan 0.000 0.452 370 L N 0.738 121.912 121.223 -0.081 0.000 2.628 370 L HA 0.062 4.400 4.340 -0.004 0.000 0.229 370 L C 1.925 178.721 176.870 -0.124 0.000 1.137 370 L CA -0.116 54.684 54.840 -0.067 0.000 0.909 370 L CB 0.375 42.431 42.059 -0.004 0.000 1.137 370 L HN -0.067 nan 8.230 nan 0.000 0.470 371 V N -4.437 115.324 119.914 -0.254 0.000 3.406 371 V HA -0.046 4.072 4.120 -0.004 0.000 0.263 371 V C 1.059 176.801 176.094 -0.586 0.000 1.172 371 V CA 0.655 62.697 62.300 -0.431 0.000 1.140 371 V CB -0.805 30.719 31.823 -0.499 0.000 0.784 371 V HN 0.375 nan 8.190 nan 0.000 0.467 372 Y N 0.378 120.708 120.300 0.051 0.000 2.720 372 Y HA 0.522 5.069 4.550 -0.004 0.000 0.277 372 Y C 0.803 176.760 175.900 0.095 0.000 1.144 372 Y CA -0.416 57.749 58.100 0.109 0.000 1.221 372 Y CB 0.487 39.018 38.460 0.118 0.000 1.163 372 Y HN 0.093 nan 8.280 nan 0.000 0.537 373 T N 1.518 116.102 114.554 0.049 0.000 2.855 373 T HA 0.750 5.098 4.350 -0.004 0.000 0.281 373 T C -0.445 174.167 174.700 -0.147 0.000 1.007 373 T CA -0.639 61.365 62.100 -0.161 0.000 1.009 373 T CB 1.396 70.066 68.868 -0.331 0.000 0.983 373 T HN 0.244 nan 8.240 nan 0.000 0.455 374 A N 2.331 125.037 122.820 -0.191 0.000 2.335 374 A HA 0.713 5.030 4.320 -0.004 0.000 0.304 374 A C -0.115 177.328 177.584 -0.235 0.000 1.118 374 A CA -0.636 51.364 52.037 -0.063 0.000 0.757 374 A CB 0.417 19.535 19.000 0.196 0.000 1.188 374 A HN 0.894 nan 8.150 nan 0.000 0.460 375 F N 1.490 121.426 119.950 -0.023 0.000 2.714 375 F HA 0.123 4.647 4.527 -0.005 0.000 0.294 375 F C 1.718 177.461 175.800 -0.095 0.000 1.120 375 F CA 0.727 58.693 58.000 -0.058 0.000 1.398 375 F CB 0.628 39.589 39.000 -0.065 0.000 1.120 375 F HN 0.525 nan 8.300 nan 0.000 0.589 376 S N 0.369 116.069 115.700 -0.000 0.000 2.499 376 S HA 0.310 4.777 4.470 -0.004 0.000 0.275 376 S C 1.416 175.966 174.600 -0.084 0.000 1.257 376 S CA -0.049 58.055 58.200 -0.161 0.000 1.050 376 S CB 1.224 64.067 63.200 -0.595 0.000 0.937 376 S HN 0.354 nan 8.310 nan 0.000 0.490 377 G N 3.787 112.560 108.800 -0.045 0.000 2.440 377 G HA2 -0.167 3.791 3.960 -0.004 0.000 0.218 377 G HA3 -0.167 3.791 3.960 -0.004 0.000 0.218 377 G C 1.586 176.493 174.900 0.011 0.000 1.154 377 G CA 1.006 46.104 45.100 -0.003 0.000 0.767 377 G HN 0.702 nan 8.290 nan 0.000 0.552 378 S N -0.136 115.557 115.700 -0.011 0.000 2.351 378 S HA -0.122 4.345 4.470 -0.004 0.000 0.220 378 S C 1.969 176.645 174.600 0.127 0.000 1.035 378 S CA 1.301 59.534 58.200 0.054 0.000 1.031 378 S CB -0.529 62.704 63.200 0.055 0.000 0.928 378 S HN 0.659 nan 8.310 nan 0.000 0.433 379 H N 0.687 119.645 119.070 -0.187 0.000 2.353 379 H HA -0.144 4.409 4.556 -0.005 0.000 0.298 379 H C 2.539 177.817 175.328 -0.084 0.000 1.103 379 H CA 1.512 57.335 56.048 -0.374 0.000 1.293 379 H CB -0.103 29.253 29.762 -0.677 0.000 1.372 379 H HN 0.446 nan 8.280 nan 0.000 0.501 380 Q N 0.229 120.102 119.800 0.122 0.000 2.079 380 Q HA -0.160 4.177 4.340 -0.004 0.000 0.200 380 Q C 1.994 178.070 176.000 0.128 0.000 0.974 380 Q CA 1.515 57.420 55.803 0.170 0.000 0.840 380 Q CB 0.024 28.849 28.738 0.146 0.000 0.898 380 Q HN 0.395 nan 8.270 nan 0.000 0.430 381 D N 0.101 120.558 120.400 0.094 0.000 2.116 381 D HA -0.199 4.439 4.640 -0.004 0.000 0.193 381 D C 1.719 178.060 176.300 0.069 0.000 0.998 381 D CA 1.634 55.678 54.000 0.074 0.000 0.836 381 D CB -0.066 40.772 40.800 0.062 0.000 0.951 381 D HN 0.269 nan 8.370 nan 0.000 0.449 382 A N 0.091 122.974 122.820 0.105 0.000 1.877 382 A HA -0.125 4.193 4.320 -0.004 0.000 0.216 382 A C 2.468 180.076 177.584 0.040 0.000 1.186 382 A CA 1.390 53.491 52.037 0.107 0.000 0.620 382 A CB -0.890 18.267 19.000 0.262 0.000 0.822 382 A HN 0.392 nan 8.150 nan 0.000 0.443 383 I N 0.286 120.884 120.570 0.047 0.000 2.151 383 I HA -0.334 3.834 4.170 -0.004 0.000 0.243 383 I C 2.184 178.236 176.117 -0.109 0.000 1.080 383 I CA 1.527 62.775 61.300 -0.087 0.000 1.339 383 I CB -0.495 37.391 38.000 -0.189 0.000 1.039 383 I HN 0.355 nan 8.210 nan 0.000 0.409 384 N N 0.893 119.576 118.700 -0.027 0.000 2.142 384 N HA -0.139 4.599 4.740 -0.004 0.000 0.186 384 N C 1.757 177.244 175.510 -0.037 0.000 1.023 384 N CA 1.116 54.157 53.050 -0.014 0.000 0.852 384 N CB -0.231 38.278 38.487 0.036 0.000 0.998 384 N HN 0.387 nan 8.380 nan 0.000 0.424 385 K N 0.390 120.772 120.400 -0.030 0.000 2.074 385 K HA -0.096 4.221 4.320 -0.004 0.000 0.209 385 K C 2.083 178.631 176.600 -0.086 0.000 1.048 385 K CA 1.376 57.638 56.287 -0.043 0.000 0.926 385 K CB -0.359 32.126 32.500 -0.025 0.000 0.713 385 K HN 0.210 nan 8.250 nan 0.000 0.444 386 G N 1.247 109.970 108.800 -0.128 0.000 2.418 386 G HA2 -0.213 3.744 3.960 -0.004 0.000 0.217 386 G HA3 -0.213 3.744 3.960 -0.004 0.000 0.217 386 G C 1.466 176.216 174.900 -0.249 0.000 1.158 386 G CA 0.539 45.509 45.100 -0.216 0.000 0.771 386 G HN 0.111 nan 8.290 nan 0.000 0.545 387 L N 0.375 121.468 121.223 -0.217 0.000 2.217 387 L HA 0.021 4.358 4.340 -0.004 0.000 0.211 387 L C 2.289 179.100 176.870 -0.099 0.000 1.107 387 L CA 0.792 55.526 54.840 -0.176 0.000 0.783 387 L CB -0.208 41.791 42.059 -0.100 0.000 0.919 387 L HN 0.061 nan 8.230 nan 0.000 0.442 388 D N 0.295 120.649 120.400 -0.076 0.000 2.137 388 D HA -0.073 4.564 4.640 -0.004 0.000 0.202 388 D C 2.311 178.579 176.300 -0.053 0.000 0.970 388 D CA 1.364 55.337 54.000 -0.046 0.000 0.837 388 D CB -0.042 40.739 40.800 -0.030 0.000 0.981 388 D HN 0.232 nan 8.370 nan 0.000 0.475 389 A N 0.763 123.540 122.820 -0.073 0.000 1.940 389 A HA -0.187 4.131 4.320 -0.004 0.000 0.219 389 A C 2.247 179.784 177.584 -0.079 0.000 1.176 389 A CA 1.372 53.364 52.037 -0.074 0.000 0.631 389 A CB -0.566 18.382 19.000 -0.087 0.000 0.814 389 A HN 0.154 nan 8.150 nan 0.000 0.446 390 M N -0.397 119.138 119.600 -0.107 0.000 2.086 390 M HA -0.163 4.315 4.480 -0.004 0.000 0.261 390 M C 2.714 178.989 176.300 -0.041 0.000 1.067 390 M CA 2.156 57.402 55.300 -0.090 0.000 1.116 390 M CB -0.475 32.047 32.600 -0.129 0.000 1.348 390 M HN 0.513 nan 8.290 nan 0.000 0.407 391 K N 0.887 121.269 120.400 -0.031 0.000 2.009 391 K HA -0.138 4.180 4.320 -0.004 0.000 0.210 391 K C 1.704 178.298 176.600 -0.011 0.000 1.049 391 K CA 1.746 58.027 56.287 -0.010 0.000 0.929 391 K CB -1.708 30.791 32.500 -0.003 0.000 0.714 391 K HN 0.368 nan 8.250 nan 0.000 0.440 392 L N 0.617 121.828 121.223 -0.019 0.000 2.034 392 L HA -0.321 4.017 4.340 -0.004 0.000 0.217 392 L C 2.342 179.203 176.870 -0.015 0.000 1.077 392 L CA 2.467 57.297 54.840 -0.017 0.000 0.769 392 L CB -0.673 41.372 42.059 -0.023 0.000 0.890 392 L HN 0.499 nan 8.230 nan 0.000 0.435 393 D N -0.676 119.712 120.400 -0.020 0.000 2.149 393 D HA -0.085 4.553 4.640 -0.004 0.000 0.201 393 D C 2.148 178.443 176.300 -0.008 0.000 0.972 393 D CA 1.283 55.273 54.000 -0.017 0.000 0.835 393 D CB 0.025 40.810 40.800 -0.025 0.000 0.966 393 D HN 0.324 nan 8.370 nan 0.000 0.476 394 A N 0.790 123.608 122.820 -0.003 0.000 1.930 394 A HA -0.157 4.160 4.320 -0.004 0.000 0.217 394 A C 1.704 179.291 177.584 0.006 0.000 1.175 394 A CA 1.482 53.523 52.037 0.006 0.000 0.627 394 A CB -0.331 18.679 19.000 0.015 0.000 0.815 394 A HN 0.031 nan 8.150 nan 0.000 0.443 395 D N 0.387 120.788 120.400 0.003 0.000 2.117 395 D HA -0.055 4.582 4.640 -0.004 0.000 0.197 395 D C 2.259 178.559 176.300 0.000 0.000 0.987 395 D CA 1.502 55.503 54.000 0.002 0.000 0.829 395 D CB -0.564 40.236 40.800 0.001 0.000 0.961 395 D HN 0.404 nan 8.370 nan 0.000 0.460 396 A N 1.235 124.053 122.820 -0.002 0.000 1.859 396 A HA -0.127 4.190 4.320 -0.004 0.000 0.217 396 A C 2.193 179.776 177.584 -0.001 0.000 1.198 396 A CA 2.544 54.579 52.037 -0.003 0.000 0.629 396 A CB -0.886 18.110 19.000 -0.006 0.000 0.830 396 A HN 0.256 nan 8.150 nan 0.000 0.446 397 A N -2.173 120.647 122.820 -0.000 0.000 2.259 397 A HA 0.362 4.679 4.320 -0.004 0.000 0.208 397 A C 1.184 178.770 177.584 0.004 0.000 1.201 397 A CA 1.822 53.860 52.037 0.001 0.000 0.824 397 A CB -1.470 17.531 19.000 0.002 0.000 0.838 397 A HN 1.821 nan 8.150 nan 0.000 0.485 398 D N -2.533 117.869 120.400 0.004 0.000 3.079 398 D HA -0.212 4.426 4.640 -0.004 0.000 0.214 398 D C 0.311 176.616 176.300 0.008 0.000 1.145 398 D CA 1.107 55.110 54.000 0.006 0.000 0.958 398 D CB -2.647 38.156 40.800 0.004 0.000 1.117 398 D HN 0.607 nan 8.370 nan 0.000 0.416 399 C N 0.802 120.108 119.300 0.010 0.000 2.520 399 C HA 0.588 5.045 4.460 -0.004 0.000 0.376 399 C C 0.710 175.711 174.990 0.019 0.000 1.268 399 C CA -0.332 58.695 59.018 0.014 0.000 2.414 399 C CB 1.333 29.083 27.740 0.015 0.000 2.521 399 C HN 0.653 nan 8.230 nan 0.000 0.618 400 D N 0.787 121.201 120.400 0.023 0.000 2.351 400 D HA 0.144 4.781 4.640 -0.004 0.000 0.251 400 D C 1.120 177.445 176.300 0.041 0.000 1.137 400 D CA -0.171 53.847 54.000 0.030 0.000 0.879 400 D CB 1.224 42.042 40.800 0.030 0.000 1.181 400 D HN 0.328 nan 8.370 nan 0.000 0.448 401 V N 2.967 122.909 119.914 0.047 0.000 2.324 401 V HA -0.272 3.845 4.120 -0.004 0.000 0.250 401 V C 1.477 177.629 176.094 0.096 0.000 1.060 401 V CA 1.766 64.105 62.300 0.065 0.000 1.042 401 V CB -0.556 31.311 31.823 0.072 0.000 0.650 401 V HN 0.518 nan 8.190 nan 0.000 0.450 402 D N 0.161 120.614 120.400 0.087 0.000 2.403 402 D HA -0.074 4.563 4.640 -0.004 0.000 0.227 402 D C 1.210 177.557 176.300 0.078 0.000 0.995 402 D CA 0.986 55.040 54.000 0.090 0.000 0.928 402 D CB -0.226 40.611 40.800 0.062 0.000 0.887 402 D HN 0.561 nan 8.370 nan 0.000 0.529 403 D N -0.852 119.588 120.400 0.068 0.000 2.433 403 D HA 0.070 4.707 4.640 -0.004 0.000 0.211 403 D C 0.687 177.022 176.300 0.059 0.000 1.114 403 D CA -0.046 53.987 54.000 0.056 0.000 0.837 403 D CB 0.690 41.513 40.800 0.039 0.000 0.984 403 D HN 0.135 nan 8.370 nan 0.000 0.505 404 M N 0.688 120.333 119.600 0.074 0.000 2.444 404 M HA 0.222 4.700 4.480 -0.004 0.000 0.319 404 M C 0.180 176.534 176.300 0.091 0.000 1.183 404 M CA -1.125 54.214 55.300 0.064 0.000 1.032 404 M CB 1.662 34.293 32.600 0.052 0.000 1.569 404 M HN -0.152 nan 8.290 nan 0.000 0.468 405 L N 2.939 124.199 121.223 0.061 0.000 2.706 405 L HA -0.126 4.211 4.340 -0.004 0.000 0.282 405 L C -0.466 176.476 176.870 0.120 0.000 1.219 405 L CA 1.033 55.916 54.840 0.070 0.000 0.935 405 L CB -0.132 41.940 42.059 0.021 0.000 1.204 405 L HN 0.606 nan 8.230 nan 0.000 0.491 406 W N 7.127 128.399 121.300 -0.046 0.000 2.446 406 W HA 0.127 4.784 4.660 -0.005 0.000 0.316 406 W C -0.660 175.830 176.519 -0.048 0.000 1.376 406 W CA -0.627 56.694 57.345 -0.041 0.000 1.300 406 W CB 0.668 30.104 29.460 -0.039 0.000 1.351 406 W HN 0.538 nan 8.180 nan 0.000 0.530 407 Q N 5.982 125.451 119.800 -0.552 0.000 2.943 407 Q HA 0.222 4.559 4.340 -0.004 0.000 0.327 407 Q C -1.087 174.535 176.000 -0.631 0.000 0.937 407 Q CA -0.267 55.266 55.803 -0.450 0.000 0.914 407 Q CB 1.273 29.861 28.738 -0.251 0.000 1.339 407 Q HN 0.260 nan 8.270 nan 0.000 0.417 408 V N 2.065 121.493 119.914 -0.809 0.000 2.483 408 V HA 0.392 4.509 4.120 -0.004 0.000 0.297 408 V C -2.294 173.612 176.094 -0.312 0.000 1.027 408 V CA -2.038 59.875 62.300 -0.646 0.000 0.855 408 V CB 2.107 33.365 31.823 -0.942 0.000 0.995 408 V HN 0.307 nan 8.190 nan 0.000 0.424 409 P HA 0.216 nan 4.420 nan 0.000 0.267 409 P C -0.275 176.916 177.300 -0.181 0.000 1.200 409 P CA 0.568 63.464 63.100 -0.340 0.000 0.772 409 P CB 0.065 31.544 31.700 -0.368 0.000 0.855 410 Y N -1.364 118.887 120.300 -0.080 0.000 4.545 410 Y HA -0.237 4.310 4.550 -0.005 0.000 0.306 410 Y C 0.302 176.232 175.900 0.050 0.000 1.060 410 Y CA 0.225 58.291 58.100 -0.058 0.000 1.834 410 Y CB -1.696 36.695 38.460 -0.116 0.000 1.008 410 Y HN 0.237 nan 8.280 nan 0.000 0.436 411 L N 2.447 123.806 121.223 0.227 0.000 2.324 411 L HA 0.295 4.632 4.340 -0.004 0.000 0.274 411 L C -1.667 175.458 176.870 0.425 0.000 1.012 411 L CA -1.803 53.249 54.840 0.353 0.000 0.859 411 L CB 1.384 43.719 42.059 0.460 0.000 1.224 411 L HN -0.263 nan 8.230 nan 0.000 0.429 412 P HA -0.082 nan 4.420 nan 0.000 0.217 412 P C 0.176 177.625 177.300 0.248 0.000 1.150 412 P CA 1.197 64.444 63.100 0.245 0.000 0.832 412 P CB 0.162 31.956 31.700 0.157 0.000 0.787 413 I N -4.948 115.704 120.570 0.138 0.000 2.957 413 I HA 0.555 4.723 4.170 -0.004 0.000 0.310 413 I C -0.461 175.153 176.117 -0.837 0.000 1.063 413 I CA -1.633 59.515 61.300 -0.253 0.000 1.033 413 I CB 1.525 39.579 38.000 0.089 0.000 1.230 413 I HN -0.409 nan 8.210 nan 0.000 0.447 414 D N 4.263 123.741 120.400 -1.537 0.000 2.358 414 D HA 0.218 4.855 4.640 -0.004 0.000 0.258 414 D C -1.777 174.100 176.300 -0.704 0.000 1.223 414 D CA -2.087 50.944 54.000 -1.615 0.000 0.886 414 D CB 1.464 41.406 40.800 -1.429 0.000 1.120 414 D HN 0.304 nan 8.370 nan 0.000 0.482 415 P HA -0.100 nan 4.420 nan 0.000 0.218 415 P C 1.036 178.092 177.300 -0.407 0.000 1.148 415 P CA 1.046 63.722 63.100 -0.707 0.000 0.822 415 P CB 0.216 31.485 31.700 -0.720 0.000 0.784 416 R N -0.427 119.907 120.500 -0.276 0.000 2.159 416 R HA -0.120 4.217 4.340 -0.004 0.000 0.237 416 R C 1.562 177.770 176.300 -0.154 0.000 1.131 416 R CA 1.259 57.259 56.100 -0.166 0.000 0.982 416 R CB -0.867 29.376 30.300 -0.094 0.000 0.868 416 R HN 0.198 nan 8.270 nan 0.000 0.453 417 D N -0.179 120.111 120.400 -0.183 0.000 2.351 417 D HA -0.088 4.549 4.640 -0.004 0.000 0.216 417 D C 1.249 177.439 176.300 -0.184 0.000 0.968 417 D CA 1.032 54.964 54.000 -0.114 0.000 0.899 417 D CB 0.331 41.160 40.800 0.049 0.000 0.907 417 D HN 0.265 nan 8.370 nan 0.000 0.514 418 V N -4.949 114.861 119.914 -0.174 0.000 3.253 418 V HA 0.597 4.715 4.120 -0.004 0.000 0.320 418 V C 1.153 177.201 176.094 -0.077 0.000 1.442 418 V CA 0.218 62.440 62.300 -0.131 0.000 1.097 418 V CB 0.366 32.144 31.823 -0.076 0.000 1.008 418 V HN 0.097 nan 8.190 nan 0.000 0.463 419 G N 0.701 109.445 108.800 -0.092 0.000 2.141 419 G HA2 -0.179 3.779 3.960 -0.004 0.000 0.231 419 G HA3 -0.179 3.779 3.960 -0.004 0.000 0.231 419 G C 0.222 175.089 174.900 -0.055 0.000 0.984 419 G CA 0.230 45.295 45.100 -0.059 0.000 0.660 419 G HN 0.577 nan 8.290 nan 0.000 0.525 420 R N -0.167 120.269 120.500 -0.107 0.000 2.875 420 R HA 0.844 5.182 4.340 -0.004 0.000 0.251 420 R C 0.114 176.335 176.300 -0.131 0.000 1.123 420 R CA 0.279 56.316 56.100 -0.105 0.000 1.064 420 R CB 1.218 31.434 30.300 -0.140 0.000 1.205 420 R HN 0.619 nan 8.270 nan 0.000 0.503 421 T N -2.066 112.449 114.554 -0.066 0.000 2.886 421 T HA 0.223 4.571 4.350 -0.004 0.000 0.292 421 T C -0.587 174.150 174.700 0.061 0.000 1.012 421 T CA -0.715 61.375 62.100 -0.016 0.000 0.982 421 T CB 0.978 69.847 68.868 0.002 0.000 1.018 421 T HN 0.413 nan 8.240 nan 0.000 0.451 422 Y N 3.147 123.442 120.300 -0.008 0.000 2.865 422 Y HA 0.219 4.767 4.550 -0.005 0.000 0.338 422 Y C -0.088 175.838 175.900 0.044 0.000 1.269 422 Y CA -0.029 58.112 58.100 0.068 0.000 1.585 422 Y CB 0.197 38.720 38.460 0.105 0.000 1.224 422 Y HN 0.610 nan 8.280 nan 0.000 0.554 423 E N 5.880 125.805 120.200 -0.459 0.000 2.102 423 E HA 0.403 4.751 4.350 -0.004 0.000 0.263 423 E C -0.841 175.315 176.600 -0.740 0.000 0.894 423 E CA -0.533 55.556 56.400 -0.518 0.000 0.746 423 E CB 1.323 30.867 29.700 -0.261 0.000 1.129 423 E HN 0.681 nan 8.360 nan 0.000 0.416 424 A N 3.905 126.253 122.820 -0.786 0.000 2.807 424 A HA 0.265 4.583 4.320 -0.004 0.000 0.307 424 A C 0.319 177.741 177.584 -0.270 0.000 1.532 424 A CA -0.488 51.264 52.037 -0.474 0.000 1.215 424 A CB -0.185 18.635 19.000 -0.299 0.000 1.127 424 A HN 0.348 nan 8.150 nan 0.000 0.543 425 V N 2.809 122.543 119.914 -0.301 0.000 2.479 425 V HA 0.265 4.382 4.120 -0.004 0.000 0.281 425 V C 1.091 177.189 176.094 0.007 0.000 1.031 425 V CA 0.835 63.043 62.300 -0.153 0.000 1.038 425 V CB 0.027 31.750 31.823 -0.167 0.000 0.981 425 V HN 0.721 nan 8.190 nan 0.000 0.478 435 G N -0.549 108.235 108.800 -0.027 0.000 2.551 435 G HA2 0.448 4.405 3.960 -0.004 0.000 0.216 435 G HA3 0.448 4.405 3.960 -0.004 0.000 0.216 435 G C 1.296 176.201 174.900 0.008 0.000 1.137 435 G CA 1.334 46.422 45.100 -0.021 0.000 0.798 435 G HN 2.413 nan 8.290 nan 0.000 0.536 436 G N -0.641 108.169 108.800 0.017 0.000 2.255 436 G HA2 -0.221 3.737 3.960 -0.004 0.000 0.239 436 G HA3 -0.221 3.737 3.960 -0.004 0.000 0.239 436 G C 0.896 175.861 174.900 0.108 0.000 1.083 436 G CA 0.231 45.363 45.100 0.054 0.000 0.826 436 G HN 0.378 nan 8.290 nan 0.000 0.493 437 V N 0.265 120.227 119.914 0.080 0.000 2.270 437 V HA -0.062 4.055 4.120 -0.004 0.000 0.245 437 V C 3.208 179.357 176.094 0.092 0.000 1.043 437 V CA 3.175 65.545 62.300 0.117 0.000 1.014 437 V CB -0.877 31.020 31.823 0.122 0.000 0.645 437 V HN 1.055 nan 8.190 nan 0.000 0.447 438 A N -1.051 121.800 122.820 0.052 0.000 1.908 438 A HA -0.304 4.014 4.320 -0.004 0.000 0.218 438 A C 2.164 179.751 177.584 0.006 0.000 1.181 438 A CA 2.378 54.412 52.037 -0.004 0.000 0.627 438 A CB -0.831 18.155 19.000 -0.023 0.000 0.818 438 A HN 0.692 nan 8.150 nan 0.000 0.445 439 Y N 0.224 120.499 120.300 -0.042 0.000 2.163 439 Y HA -0.104 4.443 4.550 -0.005 0.000 0.288 439 Y C 1.993 177.868 175.900 -0.042 0.000 1.136 439 Y CA 1.737 59.808 58.100 -0.047 0.000 1.147 439 Y CB -0.180 38.256 38.460 -0.040 0.000 0.987 439 Y HN 0.255 nan 8.280 nan 0.000 0.509 440 I N -0.589 120.012 120.570 0.052 0.000 2.233 440 I HA -0.292 3.875 4.170 -0.004 0.000 0.243 440 I C 2.209 178.284 176.117 -0.072 0.000 1.093 440 I CA 0.924 62.224 61.300 0.000 0.000 1.380 440 I CB -0.371 37.715 38.000 0.143 0.000 1.067 440 I HN 0.257 nan 8.210 nan 0.000 0.413 441 M N 0.582 120.170 119.600 -0.020 0.000 2.080 441 M HA -0.235 4.242 4.480 -0.004 0.000 0.260 441 M C 2.304 178.535 176.300 -0.116 0.000 1.068 441 M CA 1.779 57.052 55.300 -0.045 0.000 1.109 441 M CB -1.210 31.310 32.600 -0.133 0.000 1.342 441 M HN 0.180 nan 8.290 nan 0.000 0.405 442 K N -0.245 120.048 120.400 -0.179 0.000 2.001 442 K HA -0.111 4.207 4.320 -0.004 0.000 0.208 442 K C 1.942 178.368 176.600 -0.291 0.000 1.048 442 K CA 1.848 58.006 56.287 -0.215 0.000 0.932 442 K CB 0.025 32.387 32.500 -0.229 0.000 0.715 442 K HN 0.243 nan 8.250 nan 0.000 0.437 443 T N 1.157 115.443 114.554 -0.448 0.000 2.708 443 T HA -0.110 4.238 4.350 -0.004 0.000 0.266 443 T C 1.149 175.622 174.700 -0.379 0.000 1.037 443 T CA 1.717 63.532 62.100 -0.474 0.000 1.146 443 T CB -0.253 68.148 68.868 -0.777 0.000 0.865 443 T HN 0.275 nan 8.240 nan 0.000 0.435 444 D N -0.321 119.821 120.400 -0.429 0.000 2.305 444 D HA 0.021 4.658 4.640 -0.004 0.000 0.206 444 D C 1.530 177.248 176.300 -0.971 0.000 0.974 444 D CA 0.808 54.421 54.000 -0.645 0.000 0.871 444 D CB 0.056 40.448 40.800 -0.680 0.000 0.947 444 D HN 0.485 nan 8.370 nan 0.000 0.516 445 H N -1.898 116.971 119.070 -0.336 0.000 3.233 445 H HA 0.301 4.855 4.556 -0.004 0.000 0.263 445 H C 1.297 176.484 175.328 -0.235 0.000 1.168 445 H CA 0.667 56.473 56.048 -0.403 0.000 1.159 445 H CB 1.348 30.743 29.762 -0.612 0.000 1.593 445 H HN 0.108 nan 8.280 nan 0.000 0.580 446 G N 1.696 110.435 108.800 -0.102 0.000 2.155 446 G HA2 -0.275 3.683 3.960 -0.004 0.000 0.257 446 G HA3 -0.275 3.683 3.960 -0.004 0.000 0.257 446 G C 0.109 175.071 174.900 0.103 0.000 0.983 446 G CA 0.266 45.353 45.100 -0.022 0.000 0.676 446 G HN 0.258 nan 8.290 nan 0.000 0.528 447 L N 1.589 122.851 121.223 0.065 0.000 2.265 447 L HA 0.500 4.837 4.340 -0.004 0.000 0.289 447 L C 0.191 177.067 176.870 0.011 0.000 1.033 447 L CA -0.584 54.364 54.840 0.181 0.000 0.814 447 L CB 1.885 44.007 42.059 0.107 0.000 1.203 447 L HN 0.077 nan 8.230 nan 0.000 0.423 448 S N 5.211 120.873 115.700 -0.062 0.000 2.642 448 S HA 0.375 4.843 4.470 -0.004 0.000 0.309 448 S C 0.176 174.530 174.600 -0.411 0.000 1.125 448 S CA -0.629 57.387 58.200 -0.307 0.000 1.055 448 S CB -0.196 62.686 63.200 -0.530 0.000 1.157 448 S HN 0.375 nan 8.310 nan 0.000 0.513 449 L N 3.733 124.718 121.223 -0.397 0.000 2.499 449 L HA 0.162 4.499 4.340 -0.004 0.000 0.273 449 L C -2.056 174.384 176.870 -0.716 0.000 1.195 449 L CA -1.636 52.837 54.840 -0.611 0.000 0.882 449 L CB -0.504 41.342 42.059 -0.356 0.000 1.133 449 L HN 0.217 nan 8.230 nan 0.000 0.483 450 P HA -0.016 nan 4.420 nan 0.000 0.267 450 P C 0.785 177.709 177.300 -0.626 0.000 1.201 450 P CA 0.162 62.705 63.100 -0.928 0.000 0.775 450 P CB 0.507 31.471 31.700 -1.225 0.000 0.854 451 R N 3.370 123.629 120.500 -0.402 0.000 2.096 451 R HA -0.231 4.107 4.340 -0.004 0.000 0.240 451 R C 2.082 178.288 176.300 -0.156 0.000 1.139 451 R CA 2.269 58.240 56.100 -0.214 0.000 0.952 451 R CB -1.804 28.426 30.300 -0.117 0.000 0.854 451 R HN 0.553 nan 8.270 nan 0.000 0.436 452 R N -0.306 120.137 120.500 -0.096 0.000 2.148 452 R HA 0.054 4.391 4.340 -0.004 0.000 0.223 452 R C 2.381 178.638 176.300 -0.071 0.000 1.088 452 R CA 1.051 57.211 56.100 0.098 0.000 0.985 452 R CB -0.445 30.136 30.300 0.468 0.000 0.880 452 R HN 0.375 nan 8.270 nan 0.000 0.451 453 L N 1.486 122.282 121.223 -0.711 0.000 2.056 453 L HA -0.151 4.186 4.340 -0.004 0.000 0.207 453 L C 2.138 178.890 176.870 -0.197 0.000 1.078 453 L CA 1.750 56.138 54.840 -0.754 0.000 0.749 453 L CB -0.582 40.689 42.059 -1.313 0.000 0.901 453 L HN 0.092 nan 8.230 nan 0.000 0.433 454 Q N -0.732 118.947 119.800 -0.201 0.000 2.029 454 Q HA -0.276 4.062 4.340 -0.004 0.000 0.209 454 Q C 2.160 178.186 176.000 0.043 0.000 0.999 454 Q CA 2.623 58.405 55.803 -0.036 0.000 0.857 454 Q CB -0.272 28.411 28.738 -0.091 0.000 0.926 454 Q HN 0.501 nan 8.270 nan 0.000 0.415 455 I N 0.729 121.310 120.570 0.020 0.000 2.127 455 I HA -0.312 3.855 4.170 -0.004 0.000 0.241 455 I C 2.354 178.537 176.117 0.110 0.000 1.075 455 I CA 1.775 63.111 61.300 0.060 0.000 1.334 455 I CB -0.717 37.322 38.000 0.064 0.000 1.040 455 I HN 0.327 nan 8.210 nan 0.000 0.405 456 E N 0.107 120.405 120.200 0.164 0.000 2.038 456 E HA -0.306 4.041 4.350 -0.004 0.000 0.195 456 E C 2.385 179.172 176.600 0.312 0.000 1.000 456 E CA 1.515 58.060 56.400 0.243 0.000 0.803 456 E CB -0.406 29.500 29.700 0.343 0.000 0.750 456 E HN 0.329 nan 8.360 nan 0.000 0.448 457 F N 2.025 122.085 119.950 0.182 0.000 2.126 457 F HA -0.167 4.357 4.527 -0.005 0.000 0.299 457 F C 2.445 178.338 175.800 0.156 0.000 1.096 457 F CA 1.900 60.044 58.000 0.239 0.000 1.255 457 F CB -0.613 38.574 39.000 0.312 0.000 0.997 457 F HN 0.100 nan 8.300 nan 0.000 0.479 458 S N -0.353 115.343 115.700 -0.007 0.000 2.515 458 S HA -0.065 4.402 4.470 -0.004 0.000 0.231 458 S C 2.100 176.636 174.600 -0.106 0.000 0.987 458 S CA 0.809 58.912 58.200 -0.160 0.000 0.936 458 S CB -1.162 61.991 63.200 -0.078 0.000 0.766 458 S HN 0.601 nan 8.310 nan 0.000 0.528 459 Q N 2.055 121.843 119.800 -0.020 0.000 1.965 459 Q HA 0.045 4.383 4.340 -0.004 0.000 0.200 459 Q C 2.471 178.455 176.000 -0.028 0.000 0.981 459 Q CA 1.858 57.660 55.803 -0.001 0.000 0.834 459 Q CB -1.707 27.059 28.738 0.047 0.000 0.900 459 Q HN 0.446 nan 8.270 nan 0.000 0.426 460 V N 0.642 120.557 119.914 0.000 0.000 2.353 460 V HA -0.345 3.772 4.120 -0.004 0.000 0.260 460 V C 2.380 178.413 176.094 -0.102 0.000 1.091 460 V CA 2.340 64.633 62.300 -0.012 0.000 1.088 460 V CB -0.512 31.377 31.823 0.110 0.000 0.672 460 V HN 0.641 nan 8.190 nan 0.000 0.455 461 I N -1.152 119.276 120.570 -0.236 0.000 2.867 461 I HA -0.112 4.056 4.170 -0.004 0.000 0.265 461 I C 2.838 178.879 176.117 -0.128 0.000 1.162 461 I CA 1.078 62.231 61.300 -0.245 0.000 1.471 461 I CB -0.371 37.349 38.000 -0.468 0.000 1.123 461 I HN 0.422 nan 8.210 nan 0.000 0.440 462 Q N 1.247 120.987 119.800 -0.101 0.000 2.124 462 Q HA -0.275 4.063 4.340 -0.004 0.000 0.202 462 Q C 2.400 178.377 176.000 -0.039 0.000 0.977 462 Q CA 2.414 58.182 55.803 -0.057 0.000 0.850 462 Q CB -1.156 27.557 28.738 -0.042 0.000 0.901 462 Q HN 0.598 nan 8.270 nan 0.000 0.429 463 K N -0.098 120.281 120.400 -0.035 0.000 2.025 463 K HA 0.368 4.686 4.320 -0.004 0.000 0.207 463 K C 1.881 178.469 176.600 -0.019 0.000 1.049 463 K CA 1.531 57.806 56.287 -0.021 0.000 0.933 463 K CB -1.790 30.702 32.500 -0.013 0.000 0.714 463 K HN 1.306 nan 8.250 nan 0.000 0.438 475 V N 2.529 122.448 119.914 0.008 0.000 2.461 475 V HA 0.479 4.597 4.120 -0.004 0.000 0.275 475 V C 1.070 177.192 176.094 0.046 0.000 1.047 475 V CA 0.438 62.754 62.300 0.026 0.000 0.955 475 V CB 0.535 32.368 31.823 0.018 0.000 0.988 475 V HN 0.862 nan 8.190 nan 0.000 0.471 476 S N 6.730 122.466 115.700 0.060 0.000 2.560 476 S HA 0.208 4.675 4.470 -0.004 0.000 0.276 476 S C -0.892 173.776 174.600 0.113 0.000 1.350 476 S CA -0.499 57.747 58.200 0.075 0.000 1.024 476 S CB -0.289 62.957 63.200 0.076 0.000 0.864 476 S HN 0.638 nan 8.310 nan 0.000 0.536 477 P HA -0.071 nan 4.420 nan 0.000 0.215 477 P C 1.954 179.399 177.300 0.242 0.000 1.157 477 P CA 2.347 65.544 63.100 0.163 0.000 0.868 477 P CB -0.095 31.675 31.700 0.117 0.000 0.788 478 K N 0.821 121.346 120.400 0.208 0.000 2.044 478 K HA -0.253 4.065 4.320 -0.004 0.000 0.210 478 K C 2.016 178.777 176.600 0.268 0.000 1.049 478 K CA 2.179 58.621 56.287 0.259 0.000 0.927 478 K CB -1.863 30.743 32.500 0.176 0.000 0.713 478 K HN 0.337 nan 8.250 nan 0.000 0.443 479 E N -0.346 119.967 120.200 0.187 0.000 2.070 479 E HA -0.233 4.114 4.350 -0.004 0.000 0.197 479 E C 2.216 178.939 176.600 0.206 0.000 1.004 479 E CA 1.673 58.168 56.400 0.159 0.000 0.805 479 E CB -0.246 29.519 29.700 0.107 0.000 0.744 479 E HN 0.666 nan 8.360 nan 0.000 0.451 480 M N 0.374 120.124 119.600 0.250 0.000 2.175 480 M HA -0.150 4.327 4.480 -0.004 0.000 0.264 480 M C 2.132 178.737 176.300 0.509 0.000 1.063 480 M CA 1.449 56.955 55.300 0.343 0.000 1.119 480 M CB -0.181 32.594 32.600 0.292 0.000 1.377 480 M HN 0.312 nan 8.290 nan 0.000 0.415 481 W N 1.960 123.380 121.300 0.199 0.000 2.317 481 W HA -0.276 4.381 4.660 -0.004 0.000 0.318 481 W C 1.372 177.974 176.519 0.138 0.000 1.227 481 W CA 1.866 59.254 57.345 0.073 0.000 1.269 481 W CB -0.364 29.096 29.460 0.000 0.000 1.155 481 W HN 0.339 nan 8.180 nan 0.000 0.484 482 D N 0.369 120.777 120.400 0.012 0.000 2.178 482 D HA -0.141 4.496 4.640 -0.004 0.000 0.201 482 D C 2.229 178.484 176.300 -0.075 0.000 0.980 482 D CA 1.632 55.560 54.000 -0.121 0.000 0.842 482 D CB -0.794 40.015 40.800 0.015 0.000 0.948 482 D HN 0.201 nan 8.370 nan 0.000 0.472 483 A N 0.328 123.208 122.820 0.099 0.000 1.930 483 A HA -0.128 4.190 4.320 -0.004 0.000 0.217 483 A C 2.020 179.725 177.584 0.202 0.000 1.175 483 A CA 0.783 52.931 52.037 0.186 0.000 0.627 483 A CB -0.775 18.406 19.000 0.302 0.000 0.815 483 A HN 0.234 nan 8.150 nan 0.000 0.443 484 F N 0.483 120.433 119.950 0.001 0.000 2.149 484 F HA 0.143 4.667 4.527 -0.004 0.000 0.294 484 F C 2.521 178.102 175.800 -0.364 0.000 1.095 484 F CA 1.087 58.904 58.000 -0.305 0.000 1.276 484 F CB -0.277 38.440 39.000 -0.472 0.000 1.023 484 F HN 0.229 nan 8.300 nan 0.000 0.480 485 A N 0.030 122.553 122.820 -0.495 0.000 1.940 485 A HA -0.178 4.139 4.320 -0.004 0.000 0.219 485 A C 2.017 179.382 177.584 -0.365 0.000 1.176 485 A CA 1.946 53.648 52.037 -0.558 0.000 0.631 485 A CB -1.189 17.342 19.000 -0.782 0.000 0.814 485 A HN 0.385 nan 8.150 nan 0.000 0.446 486 E N -0.429 119.599 120.200 -0.287 0.000 2.110 486 E HA -0.142 4.205 4.350 -0.004 0.000 0.193 486 E C 2.166 178.607 176.600 -0.265 0.000 0.988 486 E CA 1.305 57.578 56.400 -0.211 0.000 0.804 486 E CB -0.276 29.346 29.700 -0.129 0.000 0.745 486 E HN 0.730 nan 8.360 nan 0.000 0.458 487 E N -0.873 119.096 120.200 -0.385 0.000 2.028 487 E HA -0.075 4.273 4.350 -0.004 0.000 0.190 487 E C 1.941 178.105 176.600 -0.727 0.000 0.984 487 E CA 1.257 57.278 56.400 -0.632 0.000 0.800 487 E CB -0.198 28.887 29.700 -1.026 0.000 0.758 487 E HN 0.580 nan 8.360 nan 0.000 0.448 488 Y N -0.558 119.446 120.300 -0.494 0.000 2.535 488 Y HA 0.211 4.759 4.550 -0.004 0.000 0.266 488 Y C 2.180 177.881 175.900 -0.332 0.000 1.088 488 Y CA 0.151 57.972 58.100 -0.464 0.000 1.285 488 Y CB 0.299 38.288 38.460 -0.787 0.000 1.166 488 Y HN -0.111 nan 8.280 nan 0.000 0.525 489 L N -1.557 119.534 121.223 -0.220 0.000 2.349 489 L HA 0.236 4.573 4.340 -0.004 0.000 0.200 489 L C 2.409 179.208 176.870 -0.118 0.000 1.064 489 L CA 0.840 55.595 54.840 -0.142 0.000 0.821 489 L CB -0.538 41.433 42.059 -0.146 0.000 1.027 489 L HN 0.093 nan 8.230 nan 0.000 0.476 490 A N 0.113 122.845 122.820 -0.146 0.000 1.929 490 A HA 0.069 4.387 4.320 -0.004 0.000 0.216 490 A C -1.235 176.296 177.584 -0.088 0.000 1.176 490 A CA 0.448 52.420 52.037 -0.108 0.000 0.628 490 A CB -1.767 17.163 19.000 -0.116 0.000 0.816 490 A HN 0.215 nan 8.150 nan 0.000 0.444 491 P HA 0.171 nan 4.420 nan 0.000 0.264 491 P C 0.208 177.469 177.300 -0.065 0.000 1.193 491 P CA 0.463 63.511 63.100 -0.085 0.000 0.763 491 P CB 0.948 32.585 31.700 -0.105 0.000 0.810 492 V N 0.661 120.545 119.914 -0.049 0.000 3.253 492 V HA 0.433 4.550 4.120 -0.004 0.000 0.320 492 V C 0.324 176.401 176.094 -0.028 0.000 1.442 492 V CA -0.006 62.273 62.300 -0.035 0.000 1.097 492 V CB -0.448 31.362 31.823 -0.022 0.000 1.008 492 V HN 0.306 nan 8.190 nan 0.000 0.463 493 R N 1.048 121.528 120.500 -0.033 0.000 2.651 493 R HA 0.515 4.852 4.340 -0.004 0.000 0.278 493 R C -2.314 173.973 176.300 -0.022 0.000 1.010 493 R CA -1.399 54.693 56.100 -0.014 0.000 0.896 493 R CB 2.540 32.840 30.300 -0.000 0.000 1.211 493 R HN -0.045 nan 8.270 nan 0.000 0.456 494 P HA -0.078 nan 4.420 nan 0.000 0.230 494 P C -0.195 177.125 177.300 0.032 0.000 1.158 494 P CA 0.636 63.780 63.100 0.074 0.000 0.769 494 P CB 0.400 32.234 31.700 0.222 0.000 0.807 495 L N 0.133 121.289 121.223 -0.113 0.000 2.333 495 L HA 0.504 4.841 4.340 -0.004 0.000 0.280 495 L C -0.561 176.265 176.870 -0.073 0.000 1.004 495 L CA -0.911 53.833 54.840 -0.161 0.000 0.820 495 L CB 1.869 43.666 42.059 -0.436 0.000 1.247 495 L HN -0.246 nan 8.230 nan 0.000 0.416 496 E N 4.773 124.961 120.200 -0.020 0.000 2.224 496 E HA 0.354 4.702 4.350 -0.004 0.000 0.265 496 E C -1.107 175.513 176.600 0.035 0.000 0.878 496 E CA -0.847 55.554 56.400 0.001 0.000 0.759 496 E CB 1.293 30.995 29.700 0.005 0.000 1.164 496 E HN 0.609 nan 8.360 nan 0.000 0.414 497 R N 6.419 126.947 120.500 0.047 0.000 2.196 497 R HA 0.165 4.502 4.340 -0.004 0.000 0.340 497 R C 0.708 177.025 176.300 0.029 0.000 1.043 497 R CA -0.440 55.701 56.100 0.069 0.000 0.883 497 R CB 0.402 30.745 30.300 0.073 0.000 1.078 497 R HN 0.637 nan 8.270 nan 0.000 0.462 498 I N 4.018 124.609 120.570 0.036 0.000 2.206 498 I HA -0.055 4.113 4.170 -0.004 0.000 0.239 498 I C 1.060 177.184 176.117 0.011 0.000 1.078 498 I CA 1.258 62.571 61.300 0.022 0.000 1.367 498 I CB -0.883 37.134 38.000 0.028 0.000 1.078 498 I HN 0.697 nan 8.210 nan 0.000 0.413 499 R N 1.220 121.731 120.500 0.019 0.000 2.752 499 R HA 0.508 4.845 4.340 -0.004 0.000 0.277 499 R C -1.614 174.700 176.300 0.022 0.000 1.024 499 R CA -0.828 55.277 56.100 0.009 0.000 0.866 499 R CB 1.395 31.705 30.300 0.017 0.000 1.278 499 R HN 0.112 nan 8.270 nan 0.000 0.473 500 Q N 1.347 121.157 119.800 0.017 0.000 2.472 500 Q HA 0.279 4.617 4.340 -0.004 0.000 0.281 500 Q C -1.786 174.258 176.000 0.072 0.000 0.997 500 Q CA -0.884 54.942 55.803 0.038 0.000 0.828 500 Q CB 1.682 30.400 28.738 -0.033 0.000 1.443 500 Q HN 0.782 nan 8.270 nan 0.000 0.390 501 H N 0.432 119.500 119.070 -0.002 0.000 2.476 501 H HA 0.631 5.185 4.556 -0.004 0.000 0.328 501 H C -1.133 174.191 175.328 -0.006 0.000 1.073 501 H CA -0.420 55.624 56.048 -0.006 0.000 1.229 501 H CB 1.377 31.141 29.762 0.003 0.000 1.432 501 H HN 0.398 nan 8.280 nan 0.000 0.477 502 V N 5.416 125.088 119.914 -0.404 0.000 2.333 502 V HA 0.090 4.207 4.120 -0.004 0.000 0.274 502 V C -0.050 175.805 176.094 -0.397 0.000 1.028 502 V CA -0.741 61.386 62.300 -0.289 0.000 0.851 502 V CB 0.964 32.668 31.823 -0.198 0.000 1.000 502 V HN 0.796 nan 8.190 nan 0.000 0.456 503 D N 4.841 125.115 120.400 -0.210 0.000 2.479 503 D HA 0.486 5.123 4.640 -0.004 0.000 0.218 503 D C 0.326 176.585 176.300 -0.069 0.000 1.131 503 D CA -0.064 53.870 54.000 -0.110 0.000 0.916 503 D CB 1.059 41.869 40.800 0.018 0.000 1.022 503 D HN 0.685 nan 8.370 nan 0.000 0.515 504 A N 2.647 125.418 122.820 -0.080 0.000 2.340 504 A HA 0.646 4.963 4.320 -0.004 0.000 0.268 504 A C 0.355 177.917 177.584 -0.036 0.000 1.100 504 A CA -0.417 51.586 52.037 -0.057 0.000 0.803 504 A CB 0.644 19.607 19.000 -0.061 0.000 1.043 504 A HN 0.656 nan 8.150 nan 0.000 0.488 505 A N 1.853 124.655 122.820 -0.030 0.000 2.454 505 A HA 0.375 4.692 4.320 -0.004 0.000 0.260 505 A C 0.518 178.091 177.584 -0.018 0.000 1.106 505 A CA -0.115 51.910 52.037 -0.021 0.000 0.780 505 A CB -0.180 18.808 19.000 -0.021 0.000 1.044 505 A HN 0.830 nan 8.150 nan 0.000 0.498 506 D N 0.882 121.274 120.400 -0.013 0.000 2.117 506 D HA -0.070 4.567 4.640 -0.004 0.000 0.197 506 D C 0.034 176.329 176.300 -0.009 0.000 0.987 506 D CA 1.573 55.567 54.000 -0.010 0.000 0.829 506 D CB 0.145 40.941 40.800 -0.006 0.000 0.961 506 D HN 0.602 nan 8.370 nan 0.000 0.460 507 D N 1.028 121.423 120.400 -0.009 0.000 2.175 507 D HA 0.106 4.743 4.640 -0.004 0.000 0.248 507 D C -0.477 175.818 176.300 -0.009 0.000 1.047 507 D CA -0.413 53.582 54.000 -0.007 0.000 0.883 507 D CB 1.129 41.925 40.800 -0.006 0.000 1.180 507 D HN -0.032 nan 8.370 nan 0.000 0.438 508 D N 0.163 120.559 120.400 -0.007 0.000 2.455 508 D HA 0.280 4.918 4.640 -0.004 0.000 0.241 508 D C 1.549 177.844 176.300 -0.008 0.000 1.138 508 D CA 0.473 54.469 54.000 -0.007 0.000 0.877 508 D CB 0.845 41.642 40.800 -0.004 0.000 1.187 508 D HN 0.673 nan 8.370 nan 0.000 0.451 509 G N 1.251 110.045 108.800 -0.010 0.000 2.179 509 G HA2 -0.183 3.774 3.960 -0.004 0.000 0.260 509 G HA3 -0.183 3.774 3.960 -0.004 0.000 0.260 509 G C 0.731 175.622 174.900 -0.015 0.000 0.977 509 G CA 0.189 45.282 45.100 -0.011 0.000 0.641 509 G HN 0.834 nan 8.290 nan 0.000 0.533 510 G N -0.518 108.273 108.800 -0.016 0.000 2.537 510 G HA2 0.565 4.522 3.960 -0.004 0.000 0.273 510 G HA3 0.565 4.522 3.960 -0.004 0.000 0.273 510 G C 0.307 175.192 174.900 -0.025 0.000 1.189 510 G CA 0.557 45.646 45.100 -0.018 0.000 0.881 510 G HN 0.531 nan 8.290 nan 0.000 0.535 511 T N 0.723 115.260 114.554 -0.028 0.000 2.926 511 T HA 0.385 4.732 4.350 -0.004 0.000 0.307 511 T C 0.403 175.083 174.700 -0.034 0.000 1.059 511 T CA 0.409 62.486 62.100 -0.038 0.000 1.122 511 T CB 0.822 69.665 68.868 -0.041 0.000 0.972 511 T HN 0.408 nan 8.240 nan 0.000 0.545 512 T N 2.883 117.414 114.554 -0.039 0.000 2.856 512 T HA 0.566 4.913 4.350 -0.004 0.000 0.283 512 T C -0.266 174.418 174.700 -0.027 0.000 1.008 512 T CA -0.696 61.384 62.100 -0.033 0.000 0.997 512 T CB 1.308 70.155 68.868 -0.036 0.000 0.992 512 T HN 0.536 nan 8.240 nan 0.000 0.454 513 S N 2.040 117.732 115.700 -0.015 0.000 2.600 513 S HA 0.793 5.261 4.470 -0.004 0.000 0.300 513 S C -0.903 173.708 174.600 0.019 0.000 1.087 513 S CA -0.786 57.418 58.200 0.007 0.000 0.965 513 S CB 1.539 64.751 63.200 0.019 0.000 1.089 513 S HN 0.684 nan 8.310 nan 0.000 0.496 514 I N 1.284 121.887 120.570 0.055 0.000 2.656 514 I HA 0.441 4.609 4.170 -0.004 0.000 0.292 514 I C -1.361 174.824 176.117 0.113 0.000 1.144 514 I CA -0.144 61.203 61.300 0.078 0.000 1.038 514 I CB 2.213 40.281 38.000 0.114 0.000 1.244 514 I HN 0.579 nan 8.210 nan 0.000 0.420 515 T N 6.035 120.665 114.554 0.126 0.000 2.824 515 T HA 0.788 5.136 4.350 -0.004 0.000 0.282 515 T C -0.708 174.073 174.700 0.136 0.000 0.993 515 T CA -0.536 61.640 62.100 0.126 0.000 0.967 515 T CB 1.595 70.528 68.868 0.107 0.000 0.960 515 T HN 0.633 nan 8.240 nan 0.000 0.441 516 A N 2.307 125.216 122.820 0.148 0.000 2.414 516 A HA 0.772 5.089 4.320 -0.004 0.000 0.306 516 A C -0.064 177.592 177.584 0.120 0.000 1.054 516 A CA -0.831 51.300 52.037 0.155 0.000 0.724 516 A CB 1.209 20.382 19.000 0.289 0.000 1.267 516 A HN 0.655 nan 8.150 nan 0.000 0.418 517 T N 2.058 116.668 114.554 0.094 0.000 2.743 517 T HA 0.537 4.885 4.350 -0.004 0.000 0.293 517 T C 0.171 174.922 174.700 0.083 0.000 0.945 517 T CA -0.097 62.047 62.100 0.073 0.000 1.030 517 T CB 0.406 69.305 68.868 0.051 0.000 0.912 517 T HN 1.381 nan 8.240 nan 0.000 0.483 518 V N 1.059 121.023 119.914 0.083 0.000 3.141 518 V HA 0.756 4.873 4.120 -0.004 0.000 0.312 518 V C -1.034 175.100 176.094 0.067 0.000 1.157 518 V CA -1.316 61.036 62.300 0.086 0.000 1.041 518 V CB 2.191 34.079 31.823 0.109 0.000 1.071 518 V HN 0.669 nan 8.190 nan 0.000 0.441 519 K N 1.975 122.411 120.400 0.060 0.000 2.345 519 K HA 0.686 5.003 4.320 -0.004 0.000 0.255 519 K C -1.456 175.191 176.600 0.079 0.000 0.934 519 K CA -0.523 55.798 56.287 0.057 0.000 0.801 519 K CB 2.311 34.834 32.500 0.039 0.000 1.137 519 K HN 0.667 nan 8.250 nan 0.000 0.424 520 I N 3.455 124.087 120.570 0.102 0.000 2.328 520 I HA 0.091 4.259 4.170 -0.004 0.000 0.287 520 I C 0.016 176.196 176.117 0.104 0.000 1.012 520 I CA -0.453 60.941 61.300 0.157 0.000 1.195 520 I CB 0.726 38.839 38.000 0.189 0.000 1.350 520 I HN 0.616 nan 8.210 nan 0.000 0.464 521 N N 5.773 124.535 118.700 0.102 0.000 2.707 521 N HA -0.230 4.507 4.740 -0.004 0.000 0.253 521 N C 0.991 176.525 175.510 0.039 0.000 0.998 521 N CA 1.198 54.284 53.050 0.061 0.000 0.751 521 N CB -0.554 37.966 38.487 0.055 0.000 0.920 521 N HN 1.176 nan 8.380 nan 0.000 0.539 522 G N -2.668 106.154 108.800 0.037 0.000 2.241 522 G HA2 -0.323 3.634 3.960 -0.004 0.000 0.244 522 G HA3 -0.323 3.634 3.960 -0.004 0.000 0.244 522 G C 0.025 174.941 174.900 0.027 0.000 0.998 522 G CA 0.203 45.319 45.100 0.026 0.000 0.621 522 G HN 0.426 nan 8.290 nan 0.000 0.519 523 V N 2.046 121.981 119.914 0.034 0.000 2.348 523 V HA 0.423 4.541 4.120 -0.004 0.000 0.270 523 V C 0.725 176.841 176.094 0.036 0.000 1.037 523 V CA -0.497 61.821 62.300 0.030 0.000 0.872 523 V CB 1.487 33.324 31.823 0.023 0.000 1.002 523 V HN 0.437 nan 8.190 nan 0.000 0.464 524 E N 3.688 123.906 120.200 0.030 0.000 2.417 524 E HA 0.187 4.534 4.350 -0.004 0.000 0.261 524 E C -0.464 176.157 176.600 0.034 0.000 1.000 524 E CA 0.254 56.674 56.400 0.033 0.000 0.919 524 E CB 0.472 30.187 29.700 0.026 0.000 0.955 524 E HN 0.786 nan 8.360 nan 0.000 0.455 525 T N 4.389 118.969 114.554 0.044 0.000 2.916 525 T HA 0.267 4.614 4.350 -0.004 0.000 0.305 525 T C -1.111 173.619 174.700 0.050 0.000 1.119 525 T CA -1.006 61.120 62.100 0.043 0.000 1.008 525 T CB 1.532 70.431 68.868 0.052 0.000 1.129 525 T HN 0.331 nan 8.240 nan 0.000 0.480 526 E N 2.343 122.569 120.200 0.043 0.000 2.191 526 E HA 0.556 4.904 4.350 -0.004 0.000 0.278 526 E C -0.280 176.351 176.600 0.051 0.000 0.972 526 E CA -0.570 55.860 56.400 0.050 0.000 0.804 526 E CB 1.869 31.593 29.700 0.040 0.000 1.110 526 E HN 0.682 nan 8.360 nan 0.000 0.394 527 I N -1.396 119.215 120.570 0.068 0.000 2.689 527 I HA 0.707 4.874 4.170 -0.004 0.000 0.299 527 I C -0.306 175.856 176.117 0.076 0.000 1.059 527 I CA -0.728 60.608 61.300 0.060 0.000 1.055 527 I CB 2.347 40.375 38.000 0.047 0.000 1.243 527 I HN 0.266 nan 8.210 nan 0.000 0.425 528 S N 2.731 118.469 115.700 0.063 0.000 2.579 528 S HA 0.986 5.453 4.470 -0.004 0.000 0.272 528 S C -0.741 173.901 174.600 0.069 0.000 1.141 528 S CA 0.045 58.289 58.200 0.074 0.000 0.843 528 S CB 1.933 65.171 63.200 0.063 0.000 1.122 528 S HN 1.475 nan 8.310 nan 0.000 0.468 529 G N 1.023 109.869 108.800 0.077 0.000 2.489 529 G HA2 0.558 4.516 3.960 -0.004 0.000 0.291 529 G HA3 0.558 4.516 3.960 -0.004 0.000 0.291 529 G C -1.614 173.312 174.900 0.044 0.000 1.487 529 G CA -0.399 44.748 45.100 0.079 0.000 0.795 529 G HN 0.830 nan 8.290 nan 0.000 0.513 530 S N -1.616 114.068 115.700 -0.027 0.000 2.595 530 S HA 1.001 5.468 4.470 -0.004 0.000 0.281 530 S C 0.255 174.681 174.600 -0.289 0.000 1.117 530 S CA 0.177 58.313 58.200 -0.107 0.000 0.873 530 S CB 1.995 65.133 63.200 -0.103 0.000 1.108 530 S HN 2.076 nan 8.310 nan 0.000 0.477 531 G N 1.459 110.138 108.800 -0.203 0.000 2.335 531 G HA2 0.207 4.164 3.960 -0.004 0.000 0.291 531 G HA3 0.207 4.164 3.960 -0.004 0.000 0.291 531 G C -0.650 174.193 174.900 -0.094 0.000 1.261 531 G CA -0.339 44.633 45.100 -0.212 0.000 0.871 531 G HN 0.609 nan 8.290 nan 0.000 0.491 532 N N -0.099 118.566 118.700 -0.059 0.000 2.336 532 N HA 0.409 5.146 4.740 -0.004 0.000 0.189 532 N C 0.727 176.215 175.510 -0.037 0.000 1.113 532 N CA 1.049 54.075 53.050 -0.041 0.000 0.858 532 N CB 0.915 39.385 38.487 -0.029 0.000 0.970 532 N HN 1.217 nan 8.380 nan 0.000 0.471 533 G N -0.501 108.278 108.800 -0.036 0.000 2.600 533 G HA2 0.374 4.332 3.960 -0.004 0.000 0.293 533 G HA3 0.374 4.332 3.960 -0.004 0.000 0.293 533 G C -2.477 172.405 174.900 -0.031 0.000 1.408 533 G CA -0.947 44.128 45.100 -0.042 0.000 0.782 533 G HN -0.166 nan 8.290 nan 0.000 0.482 534 P HA -0.068 nan 4.420 nan 0.000 0.215 534 P C 2.024 179.331 177.300 0.011 0.000 1.153 534 P CA 0.575 63.656 63.100 -0.033 0.000 0.853 534 P CB 0.343 31.998 31.700 -0.074 0.000 0.788 535 L N 0.029 121.236 121.223 -0.026 0.000 2.056 535 L HA -0.041 4.296 4.340 -0.004 0.000 0.207 535 L C 2.587 179.507 176.870 0.082 0.000 1.078 535 L CA 1.904 56.754 54.840 0.016 0.000 0.749 535 L CB -1.647 40.345 42.059 -0.112 0.000 0.901 535 L HN -0.102 nan 8.230 nan 0.000 0.433 536 A N -0.587 122.265 122.820 0.054 0.000 1.883 536 A HA -0.180 4.137 4.320 -0.004 0.000 0.217 536 A C 2.473 180.183 177.584 0.210 0.000 1.186 536 A CA 2.075 54.193 52.037 0.136 0.000 0.624 536 A CB -1.263 17.789 19.000 0.087 0.000 0.822 536 A HN 0.533 nan 8.150 nan 0.000 0.444 537 A N -1.121 121.768 122.820 0.114 0.000 1.884 537 A HA -0.183 4.134 4.320 -0.004 0.000 0.219 537 A C 2.070 179.781 177.584 0.210 0.000 1.197 537 A CA 1.983 54.091 52.037 0.119 0.000 0.637 537 A CB -0.895 18.148 19.000 0.072 0.000 0.827 537 A HN 0.676 nan 8.150 nan 0.000 0.450 538 F N 0.364 120.332 119.950 0.031 0.000 2.171 538 F HA -0.118 4.406 4.527 -0.004 0.000 0.300 538 F C 2.309 178.128 175.800 0.032 0.000 1.090 538 F CA 1.573 59.586 58.000 0.022 0.000 1.293 538 F CB -0.284 38.712 39.000 -0.008 0.000 1.013 538 F HN 0.029 nan 8.300 nan 0.000 0.486 539 V N -0.455 119.473 119.914 0.024 0.000 2.488 539 V HA -0.254 3.863 4.120 -0.004 0.000 0.246 539 V C 2.483 178.498 176.094 -0.131 0.000 1.046 539 V CA 1.824 64.059 62.300 -0.108 0.000 1.053 539 V CB -0.806 30.986 31.823 -0.052 0.000 0.679 539 V HN 0.361 nan 8.190 nan 0.000 0.458 540 H N 0.209 119.251 119.070 -0.047 0.000 2.387 540 H HA -0.142 4.411 4.556 -0.004 0.000 0.299 540 H C 2.339 177.639 175.328 -0.048 0.000 1.099 540 H CA 1.765 57.792 56.048 -0.035 0.000 1.315 540 H CB -0.039 29.716 29.762 -0.012 0.000 1.380 540 H HN 0.479 nan 8.280 nan 0.000 0.513 541 A N 0.998 123.838 122.820 0.033 0.000 1.929 541 A HA -0.063 4.255 4.320 -0.004 0.000 0.216 541 A C 2.647 180.181 177.584 -0.083 0.000 1.176 541 A CA 0.605 52.635 52.037 -0.012 0.000 0.628 541 A CB -0.700 18.308 19.000 0.014 0.000 0.816 541 A HN 0.244 nan 8.150 nan 0.000 0.444 542 L N -0.700 120.406 121.223 -0.195 0.000 2.131 542 L HA -0.200 4.138 4.340 -0.004 0.000 0.210 542 L C 3.024 179.879 176.870 -0.026 0.000 1.092 542 L CA 0.956 55.712 54.840 -0.140 0.000 0.759 542 L CB -0.477 41.431 42.059 -0.253 0.000 0.903 542 L HN 0.449 nan 8.230 nan 0.000 0.435 543 A N -0.275 122.504 122.820 -0.068 0.000 1.969 543 A HA -0.201 4.117 4.320 -0.004 0.000 0.218 543 A C 1.757 179.309 177.584 -0.053 0.000 1.169 543 A CA 1.635 53.633 52.037 -0.065 0.000 0.635 543 A CB -0.407 18.526 19.000 -0.111 0.000 0.810 543 A HN 0.366 nan 8.150 nan 0.000 0.445 544 D N -0.922 119.457 120.400 -0.036 0.000 2.384 544 D HA -0.032 4.605 4.640 -0.004 0.000 0.222 544 D C 1.091 177.359 176.300 -0.053 0.000 0.976 544 D CA 0.868 54.849 54.000 -0.033 0.000 0.915 544 D CB 0.209 41.002 40.800 -0.011 0.000 0.896 544 D HN 0.242 nan 8.370 nan 0.000 0.523 545 V N -0.764 119.112 119.914 -0.064 0.000 3.253 545 V HA 0.332 4.449 4.120 -0.004 0.000 0.320 545 V C 0.987 176.899 176.094 -0.302 0.000 1.442 545 V CA 0.674 62.912 62.300 -0.103 0.000 1.097 545 V CB 0.304 32.132 31.823 0.008 0.000 1.008 545 V HN 0.286 nan 8.190 nan 0.000 0.463 546 G N 0.949 109.594 108.800 -0.259 0.000 2.137 546 G HA2 -0.262 3.695 3.960 -0.004 0.000 0.237 546 G HA3 -0.262 3.695 3.960 -0.004 0.000 0.237 546 G C -0.116 174.523 174.900 -0.435 0.000 1.002 546 G CA 0.244 45.130 45.100 -0.357 0.000 0.702 546 G HN 0.508 nan 8.290 nan 0.000 0.515 547 F N 1.069 120.968 119.950 -0.084 0.000 2.443 547 F HA 0.384 4.909 4.527 -0.004 0.000 0.369 547 F C 0.014 175.748 175.800 -0.111 0.000 1.090 547 F CA -1.012 56.932 58.000 -0.094 0.000 1.129 547 F CB 1.273 40.206 39.000 -0.111 0.000 1.367 547 F HN -0.037 nan 8.300 nan 0.000 0.465 548 D N 2.632 123.073 120.400 0.068 0.000 2.339 548 D HA 0.307 4.944 4.640 -0.004 0.000 0.241 548 D C -0.681 175.612 176.300 -0.012 0.000 1.183 548 D CA 0.188 54.184 54.000 -0.006 0.000 0.859 548 D CB 1.412 42.191 40.800 -0.036 0.000 1.067 548 D HN 0.089 nan 8.370 nan 0.000 0.484 549 V N 2.922 122.809 119.914 -0.046 0.000 2.275 549 V HA 0.478 4.595 4.120 -0.004 0.000 0.272 549 V C 0.244 176.300 176.094 -0.064 0.000 1.028 549 V CA -0.915 61.355 62.300 -0.051 0.000 0.810 549 V CB 1.025 32.810 31.823 -0.062 0.000 1.043 549 V HN 0.635 nan 8.190 nan 0.000 0.453 550 A N 5.383 128.170 122.820 -0.055 0.000 2.415 550 A HA 0.586 4.903 4.320 -0.004 0.000 0.309 550 A C -0.018 177.530 177.584 -0.060 0.000 1.356 550 A CA -0.258 51.745 52.037 -0.056 0.000 0.998 550 A CB 0.175 19.146 19.000 -0.048 0.000 1.145 550 A HN 0.600 nan 8.150 nan 0.000 0.545 551 V N 4.922 124.803 119.914 -0.055 0.000 2.508 551 V HA 0.044 4.161 4.120 -0.004 0.000 0.281 551 V C 1.163 177.220 176.094 -0.062 0.000 1.041 551 V CA 0.354 62.620 62.300 -0.057 0.000 1.016 551 V CB 0.749 32.551 31.823 -0.035 0.000 0.984 551 V HN 0.905 nan 8.190 nan 0.000 0.478 552 L N 2.533 123.697 121.223 -0.098 0.000 2.357 552 L HA 0.415 4.753 4.340 -0.004 0.000 0.211 552 L C 0.519 177.345 176.870 -0.074 0.000 1.075 552 L CA 0.638 55.423 54.840 -0.092 0.000 0.830 552 L CB 0.270 42.249 42.059 -0.134 0.000 0.996 552 L HN 0.613 nan 8.230 nan 0.000 0.467 553 D N -2.123 118.216 120.400 -0.102 0.000 2.653 553 D HA 0.308 4.945 4.640 -0.004 0.000 0.258 553 D C -1.951 174.355 176.300 0.011 0.000 1.252 553 D CA -0.366 53.600 54.000 -0.056 0.000 0.777 553 D CB 2.366 43.187 40.800 0.036 0.000 1.339 553 D HN -0.154 nan 8.370 nan 0.000 0.422 554 Y N 0.910 121.065 120.300 -0.241 0.000 2.480 554 Y HA 0.586 5.133 4.550 -0.004 0.000 0.329 554 Y C -2.243 173.401 175.900 -0.426 0.000 1.127 554 Y CA -0.559 57.467 58.100 -0.123 0.000 1.037 554 Y CB 0.849 39.276 38.460 -0.055 0.000 1.320 554 Y HN 0.349 nan 8.280 nan 0.000 0.446 555 Y N 3.234 123.248 120.300 -0.477 0.000 2.545 555 Y HA 0.645 5.192 4.550 -0.004 0.000 0.348 555 Y C -0.543 175.072 175.900 -0.475 0.000 1.002 555 Y CA -0.976 56.834 58.100 -0.483 0.000 1.039 555 Y CB 2.599 41.046 38.460 -0.022 0.000 1.271 555 Y HN 0.718 nan 8.280 nan 0.000 0.467 556 E N 0.981 121.094 120.200 -0.145 0.000 2.366 556 E HA 0.518 4.866 4.350 -0.004 0.000 0.278 556 E C -1.937 174.757 176.600 0.155 0.000 0.923 556 E CA -0.795 55.630 56.400 0.040 0.000 0.761 556 E CB 1.975 31.712 29.700 0.061 0.000 1.231 556 E HN 0.792 nan 8.360 nan 0.000 0.443 557 H N 0.330 119.479 119.070 0.132 0.000 3.046 557 H HA 0.709 5.262 4.556 -0.004 0.000 0.361 557 H C -1.213 174.154 175.328 0.065 0.000 1.235 557 H CA -0.628 55.474 56.048 0.090 0.000 1.146 557 H CB 0.948 30.761 29.762 0.084 0.000 1.859 557 H HN 0.523 nan 8.280 nan 0.000 0.548 558 A N 2.255 125.157 122.820 0.135 0.000 2.483 558 A HA 0.216 4.534 4.320 -0.004 0.000 0.238 558 A C 0.739 178.443 177.584 0.200 0.000 1.070 558 A CA -0.088 52.008 52.037 0.098 0.000 0.770 558 A CB -0.096 18.956 19.000 0.086 0.000 1.008 558 A HN 0.889 nan 8.150 nan 0.000 0.497 559 M N 0.872 120.527 119.600 0.092 0.000 2.441 559 M HA 0.143 4.621 4.480 -0.004 0.000 0.244 559 M C 0.465 176.798 176.300 0.054 0.000 1.122 559 M CA 0.553 55.915 55.300 0.103 0.000 1.041 559 M CB 0.192 32.821 32.600 0.048 0.000 1.438 559 M HN 0.616 nan 8.290 nan 0.000 0.484 560 S N -0.990 114.735 115.700 0.041 0.000 2.656 560 S HA 0.752 5.219 4.470 -0.004 0.000 0.273 560 S C -1.172 173.439 174.600 0.018 0.000 1.168 560 S CA -0.902 57.308 58.200 0.016 0.000 0.817 560 S CB 1.468 64.671 63.200 0.004 0.000 1.146 560 S HN 0.240 nan 8.310 nan 0.000 0.475 561 A N 0.274 123.098 122.820 0.007 0.000 2.346 561 A HA 0.741 5.059 4.320 -0.004 0.000 0.252 561 A C 0.766 178.354 177.584 0.007 0.000 1.089 561 A CA 0.517 52.558 52.037 0.007 0.000 0.797 561 A CB -0.781 18.219 19.000 0.000 0.000 1.047 561 A HN 2.151 nan 8.150 nan 0.000 0.494 562 G N 0.633 109.438 108.800 0.007 0.000 2.907 562 G HA2 0.088 4.045 3.960 -0.004 0.000 0.686 562 G HA3 0.088 4.045 3.960 -0.004 0.000 0.686 562 G C -0.206 174.699 174.900 0.008 0.000 1.115 562 G CA 0.482 45.586 45.100 0.006 0.000 0.760 562 G HN 1.508 nan 8.290 nan 0.000 0.620 563 D N 0.158 120.562 120.400 0.007 0.000 2.263 563 D HA -0.062 4.575 4.640 -0.004 0.000 0.208 563 D C 1.456 177.759 176.300 0.005 0.000 0.971 563 D CA 1.478 55.483 54.000 0.007 0.000 0.867 563 D CB 0.117 40.921 40.800 0.006 0.000 0.929 563 D HN 0.580 nan 8.370 nan 0.000 0.492 564 D N 0.382 120.784 120.400 0.003 0.000 2.325 564 D HA 0.150 4.788 4.640 -0.004 0.000 0.225 564 D C 0.541 176.842 176.300 0.001 0.000 1.096 564 D CA -0.393 53.608 54.000 0.001 0.000 0.844 564 D CB -0.432 40.368 40.800 0.000 0.000 0.925 564 D HN 0.314 nan 8.370 nan 0.000 0.513 565 A N 0.347 123.170 122.820 0.004 0.000 2.448 565 A HA 0.147 4.464 4.320 -0.004 0.000 0.239 565 A C 0.646 178.230 177.584 -0.001 0.000 1.080 565 A CA -0.294 51.745 52.037 0.005 0.000 0.779 565 A CB 0.243 19.251 19.000 0.013 0.000 1.026 565 A HN 0.229 nan 8.150 nan 0.000 0.499 566 Q N -0.270 119.527 119.800 -0.004 0.000 2.373 566 Q HA 0.415 4.753 4.340 -0.004 0.000 0.255 566 Q C 0.014 175.996 176.000 -0.031 0.000 0.980 566 Q CA 0.188 55.982 55.803 -0.015 0.000 0.882 566 Q CB 1.126 29.857 28.738 -0.011 0.000 1.249 566 Q HN 0.780 nan 8.270 nan 0.000 0.438 567 A N 1.188 123.976 122.820 -0.053 0.000 2.305 567 A HA 0.662 4.979 4.320 -0.004 0.000 0.322 567 A C -0.721 176.759 177.584 -0.174 0.000 1.187 567 A CA -0.478 51.501 52.037 -0.096 0.000 0.825 567 A CB 1.036 20.005 19.000 -0.051 0.000 1.164 567 A HN 0.702 nan 8.150 nan 0.000 0.498 568 A N 1.674 124.287 122.820 -0.345 0.000 2.276 568 A HA 0.736 5.054 4.320 -0.004 0.000 0.316 568 A C 0.227 177.512 177.584 -0.498 0.000 1.229 568 A CA 0.152 51.917 52.037 -0.453 0.000 0.851 568 A CB 0.507 19.199 19.000 -0.512 0.000 1.165 568 A HN 2.029 nan 8.150 nan 0.000 0.513 569 A N 2.040 124.585 122.820 -0.459 0.000 2.355 569 A HA 0.804 5.121 4.320 -0.004 0.000 0.324 569 A C -1.400 175.937 177.584 -0.412 0.000 1.117 569 A CA -0.424 51.480 52.037 -0.223 0.000 0.785 569 A CB 0.727 19.762 19.000 0.059 0.000 1.254 569 A HN 0.789 nan 8.150 nan 0.000 0.453 570 Y N 0.564 121.005 120.300 0.235 0.000 2.373 570 Y HA 0.536 5.083 4.550 -0.005 0.000 0.336 570 Y C -0.307 175.906 175.900 0.521 0.000 0.979 570 Y CA -0.898 57.429 58.100 0.378 0.000 1.080 570 Y CB 2.211 40.893 38.460 0.370 0.000 1.190 570 Y HN 0.365 nan 8.280 nan 0.000 0.446 571 V N 3.031 123.291 119.914 0.577 0.000 2.444 571 V HA 0.318 4.435 4.120 -0.004 0.000 0.294 571 V C -0.456 175.680 176.094 0.070 0.000 1.022 571 V CA -1.024 61.481 62.300 0.341 0.000 0.850 571 V CB 1.777 33.734 31.823 0.223 0.000 0.992 571 V HN 0.767 nan 8.190 nan 0.000 0.426 572 E N 3.293 123.250 120.200 -0.405 0.000 2.174 572 E HA 0.730 5.078 4.350 -0.004 0.000 0.282 572 E C -0.566 175.802 176.600 -0.386 0.000 0.992 572 E CA -0.318 55.552 56.400 -0.883 0.000 0.803 572 E CB 1.555 30.270 29.700 -1.642 0.000 1.090 572 E HN 0.871 nan 8.360 nan 0.000 0.396 573 A N 2.810 125.458 122.820 -0.286 0.000 2.556 573 A HA 0.514 4.832 4.320 -0.004 0.000 0.294 573 A C -0.914 176.599 177.584 -0.118 0.000 1.091 573 A CA -0.797 51.149 52.037 -0.153 0.000 0.704 573 A CB 1.694 20.642 19.000 -0.086 0.000 1.300 573 A HN 0.611 nan 8.150 nan 0.000 0.406 574 S N 0.378 116.031 115.700 -0.080 0.000 2.452 574 S HA 0.610 5.077 4.470 -0.004 0.000 0.284 574 S C -0.478 174.103 174.600 -0.032 0.000 1.171 574 S CA -0.559 57.612 58.200 -0.048 0.000 1.064 574 S CB 0.967 64.145 63.200 -0.036 0.000 0.967 574 S HN 0.861 nan 8.310 nan 0.000 0.484 575 V N 3.521 123.426 119.914 -0.016 0.000 2.448 575 V HA 0.477 4.595 4.120 -0.004 0.000 0.295 575 V C -0.144 175.961 176.094 0.018 0.000 1.025 575 V CA -0.521 61.780 62.300 0.003 0.000 0.859 575 V CB 1.802 33.630 31.823 0.009 0.000 0.988 575 V HN 1.029 nan 8.190 nan 0.000 0.431 576 T N 4.779 119.347 114.554 0.024 0.000 2.821 576 T HA 0.578 4.926 4.350 -0.004 0.000 0.307 576 T C -0.002 174.722 174.700 0.040 0.000 1.034 576 T CA -0.075 62.036 62.100 0.019 0.000 0.953 576 T CB 0.964 69.828 68.868 -0.006 0.000 0.968 576 T HN 0.702 nan 8.240 nan 0.000 0.462 577 I N 2.081 122.682 120.570 0.051 0.000 2.307 577 I HA 0.868 5.035 4.170 -0.004 0.000 0.287 577 I C 0.874 176.956 176.117 -0.058 0.000 1.054 577 I CA -1.612 59.719 61.300 0.052 0.000 1.218 577 I CB -0.794 37.324 38.000 0.198 0.000 1.398 577 I HN 0.965 nan 8.210 nan 0.000 0.475 616 K N 0.816 121.219 120.400 0.006 0.000 2.249 616 K HA 0.785 5.103 4.320 -0.004 0.000 0.280 616 K C 0.229 176.830 176.600 0.002 0.000 1.033 616 K CA -0.056 56.237 56.287 0.010 0.000 0.946 616 K CB 0.075 32.585 32.500 0.018 0.000 1.005 616 K HN 0.559 nan 8.250 nan 0.000 0.469 617 T N 1.869 116.426 114.554 0.006 0.000 2.780 617 T HA 0.510 4.858 4.350 -0.004 0.000 0.294 617 T C 0.177 174.881 174.700 0.006 0.000 0.949 617 T CA -0.142 61.949 62.100 -0.015 0.000 1.074 617 T CB 0.199 69.066 68.868 -0.001 0.000 0.910 617 T HN 0.902 nan 8.240 nan 0.000 0.501 618 V N 0.270 120.159 119.914 -0.043 0.000 3.114 618 V HA 0.761 4.878 4.120 -0.004 0.000 0.308 618 V C -1.768 174.293 176.094 -0.055 0.000 1.168 618 V CA -1.652 60.672 62.300 0.040 0.000 1.015 618 V CB 1.721 33.581 31.823 0.062 0.000 1.050 618 V HN 0.880 nan 8.190 nan 0.000 0.433 619 W N 0.647 122.061 121.300 0.190 0.000 2.469 619 W HA 0.805 5.462 4.660 -0.004 0.000 0.320 619 W C 0.611 177.274 176.519 0.239 0.000 1.086 619 W CA -0.048 57.422 57.345 0.208 0.000 1.211 619 W CB 2.159 31.736 29.460 0.196 0.000 1.298 619 W HN 1.044 nan 8.180 nan 0.000 0.525 620 G N 1.044 110.087 108.800 0.406 0.000 2.417 620 G HA2 0.655 4.613 3.960 -0.004 0.000 0.334 620 G HA3 0.655 4.613 3.960 -0.004 0.000 0.334 620 G C -1.715 173.346 174.900 0.267 0.000 1.150 620 G CA -0.695 44.596 45.100 0.319 0.000 0.923 620 G HN 0.297 nan 8.290 nan 0.000 0.485 621 V N 0.366 120.351 119.914 0.119 0.000 2.540 621 V HA 0.813 4.931 4.120 -0.004 0.000 0.302 621 V C 0.534 176.594 176.094 -0.056 0.000 1.035 621 V CA -0.435 61.834 62.300 -0.051 0.000 0.873 621 V CB 1.643 33.408 31.823 -0.097 0.000 0.992 621 V HN 1.044 nan 8.190 nan 0.000 0.428 622 G N 4.071 112.799 108.800 -0.121 0.000 2.566 622 G HA2 0.798 4.756 3.960 -0.004 0.000 0.311 622 G HA3 0.798 4.756 3.960 -0.004 0.000 0.311 622 G C -1.281 173.549 174.900 -0.117 0.000 1.322 622 G CA -0.544 44.507 45.100 -0.082 0.000 0.969 622 G HN 0.590 nan 8.290 nan 0.000 0.490 623 I N 1.311 121.844 120.570 -0.061 0.000 2.436 623 I HA 0.700 4.867 4.170 -0.004 0.000 0.289 623 I C 0.151 176.247 176.117 -0.034 0.000 1.010 623 I CA -0.519 60.751 61.300 -0.050 0.000 1.098 623 I CB 2.089 40.093 38.000 0.007 0.000 1.266 623 I HN 0.696 nan 8.210 nan 0.000 0.434 624 A N 7.263 130.058 122.820 -0.041 0.000 2.608 624 A HA 0.692 5.010 4.320 -0.004 0.000 0.292 624 A C -2.530 175.037 177.584 -0.027 0.000 1.066 624 A CA -0.979 51.039 52.037 -0.031 0.000 0.676 624 A CB 1.327 20.302 19.000 -0.043 0.000 1.277 624 A HN 0.431 nan 8.150 nan 0.000 0.413 625 P HA 0.002 nan 4.420 nan 0.000 0.226 625 P C 0.617 177.906 177.300 -0.018 0.000 1.153 625 P CA 1.178 64.269 63.100 -0.015 0.000 0.777 625 P CB 0.268 31.962 31.700 -0.011 0.000 0.794 626 S N -0.942 114.743 115.700 -0.025 0.000 2.475 626 S HA 0.367 4.835 4.470 -0.004 0.000 0.298 626 S C 1.157 175.741 174.600 -0.026 0.000 1.119 626 S CA -0.779 57.405 58.200 -0.027 0.000 1.085 626 S CB 0.479 63.656 63.200 -0.037 0.000 1.028 626 S HN -0.185 nan 8.310 nan 0.000 0.489 627 I N 3.586 124.147 120.570 -0.014 0.000 2.226 627 I HA -0.155 4.012 4.170 -0.004 0.000 0.245 627 I C 2.308 178.422 176.117 -0.004 0.000 1.100 627 I CA 1.360 62.663 61.300 0.005 0.000 1.374 627 I CB -0.339 37.675 38.000 0.024 0.000 1.057 627 I HN 0.684 nan 8.210 nan 0.000 0.413 628 T N -0.344 114.191 114.554 -0.032 0.000 2.701 628 T HA -0.155 4.192 4.350 -0.004 0.000 0.263 628 T C 1.844 176.491 174.700 -0.088 0.000 1.040 628 T CA 2.054 64.117 62.100 -0.062 0.000 1.147 628 T CB -0.444 68.380 68.868 -0.073 0.000 0.865 628 T HN 0.345 nan 8.240 nan 0.000 0.426 629 T N 2.015 116.516 114.554 -0.088 0.000 2.857 629 T HA 0.105 4.453 4.350 -0.004 0.000 0.266 629 T C 2.453 177.093 174.700 -0.100 0.000 1.048 629 T CA 0.890 62.922 62.100 -0.115 0.000 1.139 629 T CB -0.583 68.229 68.868 -0.093 0.000 0.874 629 T HN 0.407 nan 8.240 nan 0.000 0.455 630 A N 2.425 125.206 122.820 -0.064 0.000 1.884 630 A HA -0.210 4.107 4.320 -0.004 0.000 0.219 630 A C 2.620 180.184 177.584 -0.033 0.000 1.197 630 A CA 2.710 54.715 52.037 -0.053 0.000 0.637 630 A CB -1.304 17.669 19.000 -0.045 0.000 0.827 630 A HN 0.632 nan 8.150 nan 0.000 0.450 631 S N 0.146 115.843 115.700 -0.004 0.000 2.374 631 S HA -0.180 4.288 4.470 -0.004 0.000 0.227 631 S C 1.906 176.490 174.600 -0.026 0.000 1.037 631 S CA 1.738 59.951 58.200 0.022 0.000 1.024 631 S CB -0.885 62.304 63.200 -0.019 0.000 0.861 631 S HN 0.485 nan 8.310 nan 0.000 0.456 632 L N 0.779 121.922 121.223 -0.134 0.000 2.027 632 L HA -0.016 4.321 4.340 -0.004 0.000 0.206 632 L C 3.169 179.959 176.870 -0.133 0.000 1.074 632 L CA 1.504 56.175 54.840 -0.283 0.000 0.745 632 L CB -0.608 41.085 42.059 -0.611 0.000 0.898 632 L HN 0.281 nan 8.230 nan 0.000 0.433 633 R N 0.324 120.760 120.500 -0.106 0.000 2.105 633 R HA -0.148 4.189 4.340 -0.004 0.000 0.239 633 R C 2.422 178.729 176.300 0.012 0.000 1.135 633 R CA 1.333 57.410 56.100 -0.040 0.000 0.967 633 R CB -0.507 29.762 30.300 -0.050 0.000 0.861 633 R HN 0.375 nan 8.270 nan 0.000 0.442 634 A N 0.711 123.546 122.820 0.025 0.000 1.930 634 A HA -0.080 4.238 4.320 -0.004 0.000 0.217 634 A C 2.348 179.999 177.584 0.111 0.000 1.175 634 A CA 1.115 53.195 52.037 0.072 0.000 0.627 634 A CB -0.368 18.692 19.000 0.099 0.000 0.815 634 A HN 0.099 nan 8.150 nan 0.000 0.443 635 V N -0.262 119.729 119.914 0.129 0.000 2.255 635 V HA -0.264 3.853 4.120 -0.004 0.000 0.247 635 V C 2.554 178.712 176.094 0.105 0.000 1.051 635 V CA 2.158 64.552 62.300 0.157 0.000 1.018 635 V CB -1.000 30.999 31.823 0.293 0.000 0.641 635 V HN 0.368 nan 8.190 nan 0.000 0.445 636 V N -0.344 119.654 119.914 0.139 0.000 2.343 636 V HA -0.267 3.851 4.120 -0.004 0.000 0.247 636 V C 2.682 178.763 176.094 -0.022 0.000 1.051 636 V CA 2.359 64.684 62.300 0.042 0.000 1.036 636 V CB -0.714 31.152 31.823 0.071 0.000 0.654 636 V HN 0.615 nan 8.190 nan 0.000 0.451 637 S N -0.276 115.433 115.700 0.015 0.000 2.356 637 S HA -0.202 4.265 4.470 -0.004 0.000 0.223 637 S C 2.177 176.797 174.600 0.034 0.000 1.032 637 S CA 1.683 59.894 58.200 0.018 0.000 1.005 637 S CB -0.373 62.862 63.200 0.059 0.000 0.867 637 S HN 0.620 nan 8.310 nan 0.000 0.449 638 A N 0.970 123.830 122.820 0.066 0.000 1.865 638 A HA -0.067 4.251 4.320 -0.004 0.000 0.217 638 A C 2.360 179.937 177.584 -0.012 0.000 1.191 638 A CA 2.042 54.115 52.037 0.059 0.000 0.623 638 A CB -1.284 17.750 19.000 0.056 0.000 0.826 638 A HN 0.463 nan 8.150 nan 0.000 0.444 639 V N 1.067 120.937 119.914 -0.073 0.000 2.332 639 V HA -0.294 3.823 4.120 -0.004 0.000 0.248 639 V C 2.263 178.278 176.094 -0.132 0.000 1.055 639 V CA 2.259 64.469 62.300 -0.151 0.000 1.038 639 V CB -0.961 30.637 31.823 -0.374 0.000 0.651 639 V HN 0.580 nan 8.190 nan 0.000 0.450 640 N N -0.383 118.241 118.700 -0.127 0.000 2.270 640 N HA -0.085 4.652 4.740 -0.004 0.000 0.181 640 N C 1.958 177.420 175.510 -0.080 0.000 1.016 640 N CA 0.643 53.631 53.050 -0.104 0.000 0.870 640 N CB -0.401 38.022 38.487 -0.107 0.000 0.979 640 N HN 0.250 nan 8.380 nan 0.000 0.431 641 R N 1.531 121.987 120.500 -0.074 0.000 2.096 641 R HA 0.005 4.343 4.340 -0.004 0.000 0.240 641 R C 1.869 178.148 176.300 -0.035 0.000 1.139 641 R CA 1.164 57.219 56.100 -0.075 0.000 0.952 641 R CB -1.208 29.084 30.300 -0.013 0.000 0.854 641 R HN 0.247 nan 8.270 nan 0.000 0.436 642 A N -0.063 122.749 122.820 -0.013 0.000 2.178 642 A HA 0.150 4.467 4.320 -0.004 0.000 0.218 642 A C 1.100 178.691 177.584 0.012 0.000 1.157 642 A CA 1.325 53.366 52.037 0.007 0.000 0.689 642 A CB -0.296 18.714 19.000 0.016 0.000 0.787 642 A HN 0.364 nan 8.150 nan 0.000 0.465 643 A N 0.000 122.821 122.820 0.001 0.000 2.254 643 A HA 0.000 4.317 4.320 -0.004 0.000 0.244 643 A CA 0.000 52.047 52.037 0.016 0.000 0.836 643 A CB 0.000 19.023 19.000 0.037 0.000 0.831 643 A HN 0.000 nan 8.150 nan 0.000 0.486