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 2pqd_1_A DATA FIRST_RESID 6 DATA SEQUENCE SSRPATARKS SGLSGTVRIP GDKSISHRSF MFGGLASGET RITGLLEGED DATA SEQUENCE VINTGKAMQA MGARIRKEGD TWIIDGVGNG GLLAPEAPLD FGNAGTGCRL DATA SEQUENCE TMGLVGVYDF DSTFIGDASL TKRPMGRVLN PLREMGVQVK SEDGDRLPVT DATA SEQUENCE LRGPKTPTPI TYRVPMASAQ VKSAVLLAGL NTPGITTVIE PIMTRDHTEK DATA SEQUENCE MLQGFGANLT VETDADGVRT IRLEGRGKLT GQVIDVPGDP SSTAFPLVAA DATA SEQUENCE LLVPGSDVTI LNVLMNPTRT GLILTLQEMG ADIEVINPRL AGGEDVADLR DATA SEQUENCE VRSSTLKGVT VPEDRAPSMI DEYPILAVAA AFAEGATVMN GLEELRVKES DATA SEQUENCE DRLSAVANGL KLNGVDCDEG ETSLVVRGRP DGKGLGNASG AAVATHLDHR DATA SEQUENCE IAMSFLVMGL VSENPVTVDD ATMIATSFPE FMDLMAGLGA KIELS 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.597 174.600 -0.006 0.000 1.055 6 S CA 0.000 58.197 58.200 -0.004 0.000 1.107 6 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 7 S N -0.160 115.535 115.700 -0.009 0.000 2.671 7 S HA 0.886 5.356 4.470 -0.000 0.000 0.299 7 S C -0.887 173.707 174.600 -0.010 0.000 1.116 7 S CA -1.018 57.175 58.200 -0.011 0.000 0.912 7 S CB 1.594 64.783 63.200 -0.019 0.000 1.130 7 S HN 1.281 nan 8.310 nan 0.000 0.501 8 R N -0.092 120.402 120.500 -0.010 0.000 2.500 8 R HA 0.561 4.901 4.340 -0.000 0.000 0.299 8 R C -3.220 173.076 176.300 -0.007 0.000 1.038 8 R CA -1.653 54.443 56.100 -0.007 0.000 0.903 8 R CB 1.532 31.831 30.300 -0.002 0.000 1.177 8 R HN 0.408 nan 8.270 nan 0.000 0.455 9 P HA 0.178 nan 4.420 nan 0.000 0.272 9 P C -0.873 176.428 177.300 0.003 0.000 1.240 9 P CA -0.220 62.876 63.100 -0.007 0.000 0.791 9 P CB 1.355 33.049 31.700 -0.011 0.000 0.978 10 A N 0.940 123.766 122.820 0.010 0.000 2.549 10 A HA 0.675 4.995 4.320 -0.000 0.000 0.297 10 A C -0.839 176.764 177.584 0.031 0.000 1.061 10 A CA -0.429 51.621 52.037 0.022 0.000 0.690 10 A CB 1.247 20.267 19.000 0.033 0.000 1.287 10 A HN 0.415 nan 8.150 nan 0.000 0.402 11 T N 1.415 115.989 114.554 0.033 0.000 2.812 11 T HA 0.670 5.020 4.350 -0.000 0.000 0.282 11 T C -0.127 174.600 174.700 0.046 0.000 0.990 11 T CA 0.122 62.246 62.100 0.040 0.000 0.960 11 T CB 1.495 70.380 68.868 0.028 0.000 0.948 11 T HN 1.329 nan 8.240 nan 0.000 0.438 12 A N 3.915 126.772 122.820 0.062 0.000 2.305 12 A HA 0.800 5.120 4.320 -0.000 0.000 0.322 12 A C 0.012 177.625 177.584 0.049 0.000 1.187 12 A CA -0.738 51.334 52.037 0.057 0.000 0.825 12 A CB 0.642 19.691 19.000 0.081 0.000 1.164 12 A HN 0.818 nan 8.150 nan 0.000 0.498 13 R N 1.017 121.535 120.500 0.031 0.000 2.778 13 R HA 0.404 4.744 4.340 -0.000 0.000 0.277 13 R C -0.351 175.959 176.300 0.017 0.000 0.977 13 R CA -0.912 55.204 56.100 0.026 0.000 0.950 13 R CB 1.756 32.066 30.300 0.017 0.000 1.165 13 R HN 0.782 nan 8.270 nan 0.000 0.474 14 K N 1.152 121.563 120.400 0.019 0.000 2.484 14 K HA 0.031 4.351 4.320 -0.000 0.000 0.280 14 K C -0.778 175.818 176.600 -0.006 0.000 1.013 14 K CA 0.605 56.896 56.287 0.007 0.000 1.029 14 K CB 0.438 32.947 32.500 0.015 0.000 0.902 14 K HN 0.477 nan 8.250 nan 0.000 0.481 15 S N 1.767 117.455 115.700 -0.020 0.000 2.607 15 S HA 0.327 4.797 4.470 -0.000 0.000 0.303 15 S C -0.797 173.787 174.600 -0.028 0.000 1.086 15 S CA -1.034 57.152 58.200 -0.024 0.000 0.995 15 S CB 1.763 64.944 63.200 -0.032 0.000 1.084 15 S HN 0.761 nan 8.310 nan 0.000 0.507 16 S N 0.912 116.598 115.700 -0.023 0.000 2.655 16 S HA 0.651 5.121 4.470 -0.000 0.000 0.265 16 S C 0.803 175.386 174.600 -0.028 0.000 1.240 16 S CA -0.632 57.555 58.200 -0.023 0.000 0.986 16 S CB -0.165 63.025 63.200 -0.017 0.000 0.985 16 S HN 1.021 nan 8.310 nan 0.000 0.562 17 G N -0.028 108.756 108.800 -0.027 0.000 2.351 17 G HA2 0.170 4.130 3.960 -0.000 0.000 0.231 17 G HA3 0.170 4.130 3.960 -0.000 0.000 0.231 17 G C -0.439 174.443 174.900 -0.030 0.000 1.163 17 G CA -0.266 44.817 45.100 -0.029 0.000 0.861 17 G HN 0.650 nan 8.290 nan 0.000 0.500 18 L N 1.325 122.528 121.223 -0.033 0.000 2.307 18 L HA 0.593 4.933 4.340 -0.000 0.000 0.282 18 L C 0.531 177.386 176.870 -0.025 0.000 1.051 18 L CA -0.391 54.430 54.840 -0.033 0.000 0.804 18 L CB 1.748 43.786 42.059 -0.036 0.000 1.197 18 L HN 0.553 nan 8.230 nan 0.000 0.431 19 S N 1.373 117.059 115.700 -0.023 0.000 2.543 19 S HA 0.896 5.366 4.470 -0.000 0.000 0.271 19 S C -0.558 174.034 174.600 -0.014 0.000 1.148 19 S CA 0.157 58.347 58.200 -0.017 0.000 0.914 19 S CB 1.748 64.939 63.200 -0.016 0.000 1.096 19 S HN 1.040 nan 8.310 nan 0.000 0.471 20 G N 1.853 110.647 108.800 -0.010 0.000 2.369 20 G HA2 0.350 4.310 3.960 -0.000 0.000 0.293 20 G HA3 0.350 4.310 3.960 -0.000 0.000 0.293 20 G C -1.428 173.471 174.900 -0.002 0.000 1.301 20 G CA -0.356 44.740 45.100 -0.007 0.000 0.913 20 G HN 0.848 nan 8.290 nan 0.000 0.540 21 T N 0.244 114.799 114.554 0.001 0.000 2.879 21 T HA 0.721 5.071 4.350 -0.000 0.000 0.290 21 T C -0.279 174.427 174.700 0.010 0.000 0.993 21 T CA 0.067 62.170 62.100 0.005 0.000 0.975 21 T CB 1.340 70.210 68.868 0.003 0.000 0.981 21 T HN 1.841 nan 8.240 nan 0.000 0.439 22 V N 1.212 121.136 119.914 0.017 0.000 2.971 22 V HA 0.708 4.828 4.120 -0.000 0.000 0.309 22 V C -0.848 175.263 176.094 0.028 0.000 1.130 22 V CA -1.470 60.846 62.300 0.026 0.000 0.964 22 V CB 2.080 33.928 31.823 0.040 0.000 1.029 22 V HN 0.763 nan 8.190 nan 0.000 0.427 23 R N 2.239 122.756 120.500 0.029 0.000 2.254 23 R HA 0.591 4.931 4.340 -0.000 0.000 0.318 23 R C -0.643 175.673 176.300 0.026 0.000 1.031 23 R CA -0.626 55.486 56.100 0.020 0.000 0.905 23 R CB 1.734 32.044 30.300 0.016 0.000 1.050 23 R HN 0.774 nan 8.270 nan 0.000 0.456 24 I N 4.616 125.187 120.570 0.002 0.000 2.581 24 I HA 0.184 4.354 4.170 -0.000 0.000 0.288 24 I C -2.028 174.044 176.117 -0.075 0.000 1.047 24 I CA -2.324 58.954 61.300 -0.037 0.000 1.374 24 I CB 0.795 38.752 38.000 -0.072 0.000 1.423 24 I HN 0.471 nan 8.210 nan 0.000 0.549 25 P HA 0.199 nan 4.420 nan 0.000 0.271 25 P C -0.526 176.692 177.300 -0.138 0.000 1.233 25 P CA -0.302 62.730 63.100 -0.113 0.000 0.789 25 P CB 0.271 31.891 31.700 -0.133 0.000 0.951 26 G N 0.171 108.906 108.800 -0.108 0.000 2.630 26 G HA2 0.059 4.019 3.960 -0.000 0.000 0.236 26 G HA3 0.059 4.019 3.960 -0.000 0.000 0.236 26 G C -0.398 174.409 174.900 -0.156 0.000 1.248 26 G CA -0.159 44.867 45.100 -0.122 0.000 0.844 26 G HN 0.503 nan 8.290 nan 0.000 0.588 27 D N -0.292 120.015 120.400 -0.154 0.000 2.417 27 D HA 0.056 4.696 4.640 -0.000 0.000 0.250 27 D C 1.425 177.607 176.300 -0.196 0.000 1.166 27 D CA -0.040 53.860 54.000 -0.167 0.000 0.881 27 D CB 0.955 41.642 40.800 -0.188 0.000 1.164 27 D HN 0.398 nan 8.370 nan 0.000 0.467 28 K N 1.781 122.085 120.400 -0.160 0.000 2.025 28 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 28 K C 1.792 178.313 176.600 -0.131 0.000 1.049 28 K CA 1.098 57.279 56.287 -0.178 0.000 0.933 28 K CB 0.046 32.501 32.500 -0.075 0.000 0.714 28 K HN 0.377 nan 8.250 nan 0.000 0.438 29 S N 1.002 116.658 115.700 -0.073 0.000 2.365 29 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 29 S C 1.882 176.390 174.600 -0.154 0.000 1.039 29 S CA 1.601 59.776 58.200 -0.042 0.000 1.033 29 S CB -0.265 62.902 63.200 -0.055 0.000 0.887 29 S HN 0.286 nan 8.310 nan 0.000 0.447 30 I N 1.052 121.434 120.570 -0.314 0.000 2.353 30 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 30 I C 2.348 178.327 176.117 -0.230 0.000 1.119 30 I CA 0.701 61.842 61.300 -0.266 0.000 1.417 30 I CB -0.282 37.553 38.000 -0.275 0.000 1.078 30 I HN 0.202 nan 8.210 nan 0.000 0.421 31 S N -0.428 115.103 115.700 -0.281 0.000 2.368 31 S HA -0.195 4.275 4.470 -0.000 0.000 0.225 31 S C 1.987 176.333 174.600 -0.424 0.000 1.030 31 S CA 1.042 59.000 58.200 -0.404 0.000 0.999 31 S CB -0.424 62.487 63.200 -0.480 0.000 0.844 31 S HN 0.444 nan 8.310 nan 0.000 0.459 32 H N 1.437 120.341 119.070 -0.277 0.000 2.319 32 H HA 0.023 4.579 4.556 -0.000 0.000 0.299 32 H C 2.378 177.554 175.328 -0.253 0.000 1.092 32 H CA 1.479 57.411 56.048 -0.194 0.000 1.302 32 H CB -0.186 29.502 29.762 -0.124 0.000 1.373 32 H HN 0.319 nan 8.280 nan 0.000 0.497 33 R N 0.105 120.465 120.500 -0.233 0.000 2.115 33 R HA -0.051 4.289 4.340 -0.000 0.000 0.230 33 R C 2.626 178.521 176.300 -0.676 0.000 1.111 33 R CA 1.091 56.773 56.100 -0.698 0.000 0.976 33 R CB 0.017 29.919 30.300 -0.663 0.000 0.870 33 R HN 0.115 nan 8.270 nan 0.000 0.445 34 S N 0.323 115.853 115.700 -0.283 0.000 2.368 34 S HA -0.080 4.390 4.470 -0.000 0.000 0.224 34 S C 1.445 176.100 174.600 0.092 0.000 1.029 34 S CA 0.978 59.142 58.200 -0.059 0.000 0.988 34 S CB -0.176 62.977 63.200 -0.078 0.000 0.838 34 S HN 0.166 nan 8.310 nan 0.000 0.462 35 F N 1.693 121.560 119.950 -0.138 0.000 2.163 35 F HA 0.115 4.642 4.527 -0.000 0.000 0.297 35 F C 2.232 177.991 175.800 -0.068 0.000 1.094 35 F CA 0.377 58.322 58.000 -0.091 0.000 1.290 35 F CB -1.023 37.905 39.000 -0.120 0.000 1.017 35 F HN 0.184 nan 8.300 nan 0.000 0.483 36 M N -1.371 118.258 119.600 0.049 0.000 2.067 36 M HA -0.221 4.259 4.480 -0.000 0.000 0.260 36 M C 2.151 178.519 176.300 0.113 0.000 1.069 36 M CA 1.650 56.958 55.300 0.013 0.000 1.117 36 M CB -0.664 31.866 32.600 -0.116 0.000 1.334 36 M HN -0.055 nan 8.290 nan 0.000 0.407 37 F N 0.076 119.940 119.950 -0.143 0.000 2.206 37 F HA 0.083 4.610 4.527 -0.000 0.000 0.298 37 F C 2.597 178.233 175.800 -0.274 0.000 1.090 37 F CA 0.927 58.654 58.000 -0.455 0.000 1.323 37 F CB -2.026 36.319 39.000 -1.092 0.000 1.028 37 F HN 0.147 nan 8.300 nan 0.000 0.492 38 G N -0.041 108.878 108.800 0.198 0.000 2.422 38 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 38 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 38 G C 2.038 177.073 174.900 0.225 0.000 1.146 38 G CA 0.833 46.146 45.100 0.355 0.000 0.769 38 G HN 0.499 nan 8.290 nan 0.000 0.547 39 G N 0.326 109.214 108.800 0.148 0.000 2.448 39 G HA2 0.001 3.961 3.960 -0.000 0.000 0.218 39 G HA3 0.001 3.961 3.960 -0.000 0.000 0.218 39 G C 1.646 176.603 174.900 0.094 0.000 1.135 39 G CA 0.881 46.033 45.100 0.088 0.000 0.784 39 G HN 0.404 nan 8.290 nan 0.000 0.543 40 L N 0.749 122.040 121.223 0.115 0.000 2.249 40 L HA 0.570 4.910 4.340 -0.000 0.000 0.207 40 L C 1.869 178.811 176.870 0.121 0.000 1.090 40 L CA 0.633 55.539 54.840 0.109 0.000 0.802 40 L CB -0.407 41.719 42.059 0.111 0.000 0.947 40 L HN 0.172 nan 8.230 nan 0.000 0.453 41 A N -0.595 122.320 122.820 0.158 0.000 2.386 41 A HA 0.401 4.721 4.320 -0.000 0.000 0.246 41 A C 0.477 178.165 177.584 0.172 0.000 1.089 41 A CA 0.008 52.171 52.037 0.211 0.000 0.790 41 A CB -0.127 19.127 19.000 0.423 0.000 1.042 41 A HN 0.330 nan 8.150 nan 0.000 0.497 42 S N 0.196 115.988 115.700 0.153 0.000 2.523 42 S HA 0.561 5.031 4.470 -0.000 0.000 0.275 42 S C 0.798 175.464 174.600 0.110 0.000 1.281 42 S CA 0.404 58.671 58.200 0.112 0.000 1.050 42 S CB 0.414 63.667 63.200 0.088 0.000 0.937 42 S HN 2.183 nan 8.310 nan 0.000 0.492 43 G N 2.625 111.479 108.800 0.091 0.000 2.568 43 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.222 43 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.222 43 G C -0.586 174.371 174.900 0.096 0.000 1.321 43 G CA -0.368 44.780 45.100 0.080 0.000 0.893 43 G HN 0.751 nan 8.290 nan 0.000 0.569 44 E N -0.365 119.884 120.200 0.081 0.000 2.266 44 E HA 0.613 4.963 4.350 -0.000 0.000 0.277 44 E C -0.506 176.157 176.600 0.105 0.000 1.018 44 E CA -0.221 56.234 56.400 0.091 0.000 0.840 44 E CB 0.968 30.708 29.700 0.066 0.000 1.082 44 E HN 0.470 nan 8.360 nan 0.000 0.395 45 T N 4.212 118.853 114.554 0.145 0.000 2.841 45 T HA 0.455 4.805 4.350 -0.000 0.000 0.283 45 T C -0.768 174.029 174.700 0.162 0.000 1.000 45 T CA -0.678 61.521 62.100 0.166 0.000 0.977 45 T CB 0.920 69.966 68.868 0.297 0.000 0.979 45 T HN 0.393 nan 8.240 nan 0.000 0.446 46 R N 2.700 123.277 120.500 0.128 0.000 2.480 46 R HA 0.648 4.988 4.340 -0.000 0.000 0.306 46 R C -0.875 175.511 176.300 0.143 0.000 0.958 46 R CA -0.659 55.520 56.100 0.132 0.000 0.861 46 R CB 1.667 32.015 30.300 0.081 0.000 1.171 46 R HN 0.515 nan 8.270 nan 0.000 0.445 47 I N 2.144 122.833 120.570 0.197 0.000 2.406 47 I HA 0.315 4.485 4.170 -0.000 0.000 0.290 47 I C 0.155 176.377 176.117 0.176 0.000 0.999 47 I CA -0.726 60.681 61.300 0.177 0.000 1.124 47 I CB 2.241 40.356 38.000 0.192 0.000 1.289 47 I HN 0.606 nan 8.210 nan 0.000 0.441 48 T N 0.801 115.420 114.554 0.108 0.000 2.885 48 T HA 0.644 4.994 4.350 -0.000 0.000 0.285 48 T C 0.765 175.503 174.700 0.063 0.000 1.019 48 T CA -0.115 62.041 62.100 0.093 0.000 1.010 48 T CB 1.779 70.681 68.868 0.057 0.000 1.022 48 T HN 1.084 nan 8.240 nan 0.000 0.466 49 G N 0.866 109.705 108.800 0.066 0.000 2.148 49 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.254 49 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.254 49 G C -0.064 174.829 174.900 -0.012 0.000 0.981 49 G CA 0.070 45.185 45.100 0.025 0.000 0.670 49 G HN 1.088 nan 8.290 nan 0.000 0.528 50 L N 0.474 121.697 121.223 0.001 0.000 2.514 50 L HA 0.537 4.877 4.340 -0.000 0.000 0.280 50 L C 0.807 177.580 176.870 -0.163 0.000 1.223 50 L CA -0.508 54.233 54.840 -0.164 0.000 0.864 50 L CB 0.536 42.397 42.059 -0.330 0.000 1.118 50 L HN 0.306 nan 8.230 nan 0.000 0.494 51 L N 4.933 126.004 121.223 -0.254 0.000 2.360 51 L HA 0.179 4.519 4.340 -0.000 0.000 0.276 51 L C 0.468 177.203 176.870 -0.225 0.000 1.121 51 L CA 0.672 55.393 54.840 -0.198 0.000 0.845 51 L CB 0.347 42.270 42.059 -0.228 0.000 1.143 51 L HN 0.749 nan 8.230 nan 0.000 0.452 52 E N 4.192 124.338 120.200 -0.090 0.000 2.411 52 E HA 0.231 4.581 4.350 -0.000 0.000 0.204 52 E C 0.546 177.129 176.600 -0.028 0.000 1.059 52 E CA -0.194 56.173 56.400 -0.054 0.000 1.112 52 E CB 0.271 30.034 29.700 0.104 0.000 1.168 52 E HN 0.900 nan 8.360 nan 0.000 0.445 53 G N 0.847 109.608 108.800 -0.064 0.000 2.606 53 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.252 53 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.252 53 G C 0.606 175.480 174.900 -0.044 0.000 1.206 53 G CA -0.384 44.698 45.100 -0.030 0.000 0.861 53 G HN 0.156 nan 8.290 nan 0.000 0.561 54 E N 0.109 120.297 120.200 -0.020 0.000 2.130 54 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 54 E C 1.708 178.307 176.600 -0.002 0.000 0.998 54 E CA 1.444 57.839 56.400 -0.009 0.000 0.806 54 E CB 0.042 29.739 29.700 -0.005 0.000 0.738 54 E HN 0.483 nan 8.360 nan 0.000 0.459 55 D N 0.242 120.637 120.400 -0.009 0.000 2.116 55 D HA -0.148 4.492 4.640 -0.000 0.000 0.193 55 D C 2.045 178.397 176.300 0.087 0.000 0.998 55 D CA 0.989 55.036 54.000 0.079 0.000 0.836 55 D CB -0.283 40.575 40.800 0.097 0.000 0.951 55 D HN 0.029 nan 8.370 nan 0.000 0.449 56 V N 1.196 121.009 119.914 -0.168 0.000 2.358 56 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 56 V C 2.362 178.461 176.094 0.008 0.000 1.047 56 V CA 0.827 62.957 62.300 -0.283 0.000 1.035 56 V CB -0.265 31.251 31.823 -0.513 0.000 0.658 56 V HN 0.183 nan 8.190 nan 0.000 0.452 57 I N 0.926 121.495 120.570 -0.002 0.000 2.264 57 I HA -0.188 3.981 4.170 -0.000 0.000 0.248 57 I C 2.276 178.417 176.117 0.041 0.000 1.111 57 I CA 1.457 62.789 61.300 0.053 0.000 1.382 57 I CB -1.524 36.491 38.000 0.026 0.000 1.060 57 I HN 0.390 nan 8.210 nan 0.000 0.418 58 N N 0.477 119.201 118.700 0.039 0.000 2.188 58 N HA -0.118 4.622 4.740 -0.000 0.000 0.184 58 N C 1.839 177.324 175.510 -0.042 0.000 1.018 58 N CA 1.522 54.556 53.050 -0.027 0.000 0.858 58 N CB -0.418 38.063 38.487 -0.011 0.000 0.989 58 N HN 0.333 nan 8.380 nan 0.000 0.426 59 T N 0.043 114.701 114.554 0.175 0.000 2.777 59 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 59 T C 1.892 176.652 174.700 0.100 0.000 1.040 59 T CA 1.368 63.633 62.100 0.274 0.000 1.141 59 T CB -0.600 68.569 68.868 0.501 0.000 0.868 59 T HN 0.378 nan 8.240 nan 0.000 0.444 60 G N 1.667 110.505 108.800 0.063 0.000 2.440 60 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 60 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 60 G C 1.597 176.315 174.900 -0.303 0.000 1.154 60 G CA 0.696 45.525 45.100 -0.452 0.000 0.767 60 G HN 0.439 nan 8.290 nan 0.000 0.552 61 K N 0.552 120.839 120.400 -0.187 0.000 2.148 61 K HA 0.101 4.421 4.320 -0.000 0.000 0.204 61 K C 2.900 179.385 176.600 -0.192 0.000 1.050 61 K CA 0.860 57.044 56.287 -0.173 0.000 0.942 61 K CB -0.156 32.255 32.500 -0.149 0.000 0.724 61 K HN 0.277 nan 8.250 nan 0.000 0.446 62 A N 1.176 123.864 122.820 -0.221 0.000 1.930 62 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 62 A C 2.087 179.599 177.584 -0.120 0.000 1.175 62 A CA 1.242 53.146 52.037 -0.222 0.000 0.627 62 A CB -0.269 18.565 19.000 -0.276 0.000 0.815 62 A HN 0.100 nan 8.150 nan 0.000 0.443 63 M N -0.436 119.105 119.600 -0.099 0.000 2.175 63 M HA -0.134 4.346 4.480 -0.000 0.000 0.264 63 M C 2.183 178.417 176.300 -0.110 0.000 1.063 63 M CA 1.348 56.599 55.300 -0.083 0.000 1.119 63 M CB -1.552 30.992 32.600 -0.094 0.000 1.377 63 M HN 0.527 nan 8.290 nan 0.000 0.415 64 Q N -0.098 119.616 119.800 -0.144 0.000 2.124 64 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 64 Q C 2.130 178.064 176.000 -0.111 0.000 0.977 64 Q CA 1.678 57.409 55.803 -0.120 0.000 0.850 64 Q CB -0.321 28.344 28.738 -0.122 0.000 0.901 64 Q HN 0.580 nan 8.270 nan 0.000 0.429 65 A N 0.391 123.134 122.820 -0.128 0.000 2.070 65 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 65 A C 1.683 179.180 177.584 -0.145 0.000 1.159 65 A CA 1.142 53.097 52.037 -0.137 0.000 0.656 65 A CB -0.233 18.670 19.000 -0.161 0.000 0.800 65 A HN 0.312 nan 8.150 nan 0.000 0.453 66 M N -1.625 117.898 119.600 -0.128 0.000 2.475 66 M HA 0.278 4.758 4.480 -0.000 0.000 0.283 66 M C 1.133 177.372 176.300 -0.101 0.000 1.165 66 M CA 0.660 55.878 55.300 -0.137 0.000 0.976 66 M CB 0.745 33.277 32.600 -0.112 0.000 1.428 66 M HN 0.543 nan 8.290 nan 0.000 0.495 67 G N 0.490 109.239 108.800 -0.084 0.000 2.218 67 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.216 67 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.216 67 G C 0.168 175.048 174.900 -0.033 0.000 0.994 67 G CA -0.146 44.922 45.100 -0.054 0.000 0.637 67 G HN 0.615 nan 8.290 nan 0.000 0.505 68 A N 0.414 123.211 122.820 -0.038 0.000 2.371 68 A HA 0.741 5.061 4.320 -0.000 0.000 0.257 68 A C 0.591 178.155 177.584 -0.035 0.000 1.089 68 A CA 0.294 52.317 52.037 -0.024 0.000 0.794 68 A CB 0.485 19.466 19.000 -0.031 0.000 1.029 68 A HN 0.660 nan 8.150 nan 0.000 0.488 69 R N 2.082 122.576 120.500 -0.010 0.000 2.338 69 R HA 0.632 4.972 4.340 -0.000 0.000 0.317 69 R C -1.480 174.822 176.300 0.005 0.000 0.968 69 R CA -0.319 55.776 56.100 -0.008 0.000 0.849 69 R CB 0.507 30.812 30.300 0.008 0.000 1.128 69 R HN 0.707 nan 8.270 nan 0.000 0.448 70 I N 5.250 125.819 120.570 -0.002 0.000 2.545 70 I HA 0.498 4.668 4.170 -0.000 0.000 0.292 70 I C -0.333 175.864 176.117 0.135 0.000 1.040 70 I CA -0.964 60.367 61.300 0.051 0.000 1.068 70 I CB 2.009 39.939 38.000 -0.117 0.000 1.251 70 I HN 0.679 nan 8.210 nan 0.000 0.424 71 R N 4.012 124.628 120.500 0.194 0.000 2.710 71 R HA 0.575 4.915 4.340 -0.000 0.000 0.270 71 R C -1.716 174.496 176.300 -0.146 0.000 1.021 71 R CA -1.174 54.954 56.100 0.046 0.000 0.889 71 R CB 2.201 32.497 30.300 -0.008 0.000 1.243 71 R HN 0.438 nan 8.270 nan 0.000 0.464 72 K N 1.469 121.571 120.400 -0.497 0.000 2.394 72 K HA 0.188 4.508 4.320 -0.000 0.000 0.260 72 K C -1.320 175.025 176.600 -0.426 0.000 0.967 72 K CA -0.410 55.367 56.287 -0.850 0.000 0.855 72 K CB 1.764 33.353 32.500 -1.518 0.000 1.101 72 K HN 0.703 nan 8.250 nan 0.000 0.433 73 E N 3.694 123.718 120.200 -0.293 0.000 2.114 73 E HA 0.320 4.670 4.350 -0.000 0.000 0.266 73 E C 0.282 176.790 176.600 -0.153 0.000 0.896 73 E CA -0.031 56.268 56.400 -0.169 0.000 0.750 73 E CB 0.976 30.618 29.700 -0.097 0.000 1.121 73 E HN 0.900 nan 8.360 nan 0.000 0.413 74 G N 4.979 113.699 108.800 -0.133 0.000 2.591 74 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.298 74 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.298 74 G C 0.363 175.189 174.900 -0.123 0.000 1.195 74 G CA 0.395 45.436 45.100 -0.099 0.000 0.989 74 G HN 0.683 nan 8.290 nan 0.000 0.551 75 D N 1.455 121.807 120.400 -0.079 0.000 2.342 75 D HA 0.307 4.947 4.640 -0.000 0.000 0.221 75 D C 0.605 176.880 176.300 -0.041 0.000 1.101 75 D CA 0.886 54.853 54.000 -0.055 0.000 0.837 75 D CB 0.299 41.094 40.800 -0.008 0.000 0.938 75 D HN 0.344 nan 8.370 nan 0.000 0.508 76 T N 0.184 114.687 114.554 -0.085 0.000 2.797 76 T HA 0.292 4.642 4.350 -0.000 0.000 0.279 76 T C -0.403 174.260 174.700 -0.062 0.000 0.991 76 T CA -0.609 61.486 62.100 -0.008 0.000 0.979 76 T CB 1.276 70.154 68.868 0.017 0.000 0.943 76 T HN -0.044 nan 8.240 nan 0.000 0.444 77 W N 3.016 124.362 121.300 0.076 0.000 2.351 77 W HA 0.597 5.257 4.660 -0.000 0.000 0.311 77 W C -0.169 176.422 176.519 0.121 0.000 1.168 77 W CA -0.718 56.704 57.345 0.129 0.000 1.200 77 W CB 0.487 30.083 29.460 0.226 0.000 1.221 77 W HN 0.414 nan 8.180 nan 0.000 0.519 78 I N 5.480 126.215 120.570 0.274 0.000 2.406 78 I HA 0.417 4.587 4.170 -0.000 0.000 0.290 78 I C -0.359 175.878 176.117 0.201 0.000 0.999 78 I CA -0.893 60.521 61.300 0.189 0.000 1.124 78 I CB 1.034 39.089 38.000 0.092 0.000 1.289 78 I HN 0.146 nan 8.210 nan 0.000 0.441 79 I N 4.837 125.521 120.570 0.190 0.000 2.465 79 I HA 0.319 4.489 4.170 -0.000 0.000 0.291 79 I C -0.914 175.276 176.117 0.121 0.000 1.014 79 I CA -0.690 60.703 61.300 0.154 0.000 1.093 79 I CB 2.007 40.119 38.000 0.187 0.000 1.267 79 I HN 0.438 nan 8.210 nan 0.000 0.431 80 D N 5.867 126.317 120.400 0.085 0.000 2.373 80 D HA 0.316 4.956 4.640 -0.000 0.000 0.227 80 D C 0.221 176.565 176.300 0.074 0.000 1.091 80 D CA -0.031 54.014 54.000 0.074 0.000 0.840 80 D CB 2.178 43.008 40.800 0.051 0.000 1.060 80 D HN 0.707 nan 8.370 nan 0.000 0.502 81 G N 0.113 108.971 108.800 0.097 0.000 2.537 81 G HA2 0.319 4.279 3.960 -0.000 0.000 0.273 81 G HA3 0.319 4.279 3.960 -0.000 0.000 0.273 81 G C 1.235 176.183 174.900 0.080 0.000 1.189 81 G CA -0.630 44.530 45.100 0.099 0.000 0.881 81 G HN 0.315 nan 8.290 nan 0.000 0.535 82 V N -1.389 118.570 119.914 0.075 0.000 3.541 82 V HA 0.532 4.652 4.120 -0.000 0.000 0.267 82 V C 1.161 177.307 176.094 0.086 0.000 1.213 82 V CA 0.491 62.833 62.300 0.069 0.000 1.149 82 V CB -1.213 30.645 31.823 0.059 0.000 0.822 82 V HN 2.123 nan 8.190 nan 0.000 0.462 83 G N 1.084 109.943 108.800 0.099 0.000 2.721 83 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.686 83 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.686 83 G C -0.572 174.397 174.900 0.115 0.000 1.236 83 G CA -0.181 44.979 45.100 0.101 0.000 0.786 83 G HN 0.755 nan 8.290 nan 0.000 0.616 84 N N 0.858 119.620 118.700 0.104 0.000 2.411 84 N HA 0.467 5.207 4.740 -0.000 0.000 0.261 84 N C 1.646 177.233 175.510 0.128 0.000 1.248 84 N CA 2.030 55.147 53.050 0.111 0.000 0.885 84 N CB 0.526 39.053 38.487 0.066 0.000 1.062 84 N HN 2.205 nan 8.380 nan 0.000 0.471 85 G N 1.812 110.741 108.800 0.215 0.000 2.175 85 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.244 85 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.244 85 G C 0.760 175.861 174.900 0.336 0.000 0.982 85 G CA 0.358 45.577 45.100 0.198 0.000 0.641 85 G HN 0.857 nan 8.290 nan 0.000 0.527 86 G N 0.003 108.974 108.800 0.284 0.000 3.189 86 G HA2 0.499 4.459 3.960 -0.000 0.000 0.225 86 G HA3 0.499 4.459 3.960 -0.000 0.000 0.225 86 G C 0.740 175.745 174.900 0.174 0.000 1.159 86 G CA -0.149 45.079 45.100 0.213 0.000 0.763 86 G HN 0.550 nan 8.290 nan 0.000 0.549 87 L N 1.206 122.515 121.223 0.143 0.000 2.485 87 L HA 0.239 4.579 4.340 -0.000 0.000 0.275 87 L C 0.243 177.141 176.870 0.046 0.000 1.207 87 L CA -0.080 54.726 54.840 -0.057 0.000 0.855 87 L CB 0.882 42.683 42.059 -0.430 0.000 1.114 87 L HN -0.010 nan 8.230 nan 0.000 0.485 88 L N 2.742 123.911 121.223 -0.090 0.000 2.343 88 L HA 0.508 4.848 4.340 -0.000 0.000 0.275 88 L C 0.542 177.001 176.870 -0.686 0.000 1.056 88 L CA -0.781 53.919 54.840 -0.232 0.000 0.804 88 L CB 1.410 43.372 42.059 -0.163 0.000 1.203 88 L HN 0.678 nan 8.230 nan 0.000 0.440 89 A N 3.997 126.152 122.820 -1.109 0.000 2.548 89 A HA 0.317 4.637 4.320 -0.000 0.000 0.247 89 A C -2.072 175.121 177.584 -0.652 0.000 1.067 89 A CA -0.771 50.372 52.037 -1.490 0.000 0.757 89 A CB -0.791 17.636 19.000 -0.955 0.000 0.996 89 A HN 0.451 nan 8.150 nan 0.000 0.504 90 P HA 0.157 nan 4.420 nan 0.000 0.275 90 P C 0.149 177.324 177.300 -0.208 0.000 1.227 90 P CA -0.125 62.810 63.100 -0.276 0.000 0.781 90 P CB 1.053 32.620 31.700 -0.222 0.000 0.906 91 E N 1.120 121.222 120.200 -0.163 0.000 2.106 91 E HA 0.008 4.358 4.350 -0.000 0.000 0.192 91 E C 0.804 177.344 176.600 -0.100 0.000 0.984 91 E CA 0.885 57.213 56.400 -0.120 0.000 0.806 91 E CB 0.144 29.784 29.700 -0.100 0.000 0.750 91 E HN 0.607 nan 8.360 nan 0.000 0.458 92 A N 0.817 123.570 122.820 -0.112 0.000 2.486 92 A HA 0.554 4.874 4.320 -0.000 0.000 0.289 92 A C -2.608 174.902 177.584 -0.123 0.000 1.176 92 A CA -1.478 50.500 52.037 -0.098 0.000 0.757 92 A CB 0.554 19.502 19.000 -0.088 0.000 1.337 92 A HN -0.169 nan 8.150 nan 0.000 0.423 93 P HA 0.303 nan 4.420 nan 0.000 0.267 93 P C -1.060 176.126 177.300 -0.189 0.000 1.200 93 P CA 0.139 63.160 63.100 -0.131 0.000 0.772 93 P CB 0.250 31.908 31.700 -0.070 0.000 0.855 94 L N 2.599 123.657 121.223 -0.275 0.000 2.260 94 L HA 0.246 4.586 4.340 -0.000 0.000 0.289 94 L C 0.528 177.210 176.870 -0.314 0.000 1.057 94 L CA -0.333 54.285 54.840 -0.370 0.000 0.811 94 L CB 0.325 42.125 42.059 -0.432 0.000 1.184 94 L HN 0.302 nan 8.230 nan 0.000 0.429 95 D N 2.941 123.128 120.400 -0.356 0.000 2.396 95 D HA 0.168 4.808 4.640 -0.000 0.000 0.225 95 D C 0.165 176.263 176.300 -0.336 0.000 1.121 95 D CA -0.159 53.714 54.000 -0.211 0.000 0.853 95 D CB 0.720 41.439 40.800 -0.135 0.000 1.043 95 D HN 0.250 nan 8.370 nan 0.000 0.500 96 F N 2.188 122.163 119.950 0.041 0.000 2.693 96 F HA 0.243 4.770 4.527 -0.000 0.000 0.303 96 F C 2.092 177.918 175.800 0.044 0.000 1.097 96 F CA 0.276 58.309 58.000 0.054 0.000 1.330 96 F CB 0.243 39.291 39.000 0.081 0.000 1.067 96 F HN 0.620 nan 8.300 nan 0.000 0.565 97 G N 1.441 110.317 108.800 0.127 0.000 2.672 97 G HA2 -0.482 3.478 3.960 -0.000 0.000 0.332 97 G HA3 -0.482 3.478 3.960 -0.000 0.000 0.332 97 G C 1.247 176.210 174.900 0.105 0.000 1.213 97 G CA 0.858 46.011 45.100 0.088 0.000 0.980 97 G HN 0.406 nan 8.290 nan 0.000 0.548 98 N N 1.985 120.737 118.700 0.086 0.000 2.280 98 N HA 0.327 5.067 4.740 -0.000 0.000 0.192 98 N C 1.060 176.619 175.510 0.082 0.000 1.109 98 N CA 0.715 53.806 53.050 0.068 0.000 0.855 98 N CB 0.013 38.513 38.487 0.021 0.000 0.974 98 N HN 0.816 nan 8.380 nan 0.000 0.482 99 A N 0.395 123.293 122.820 0.130 0.000 2.539 99 A HA 0.419 4.739 4.320 -0.000 0.000 0.306 99 A C 1.363 178.961 177.584 0.025 0.000 1.392 99 A CA -0.296 51.814 52.037 0.121 0.000 1.060 99 A CB -0.069 19.071 19.000 0.234 0.000 1.134 99 A HN 0.320 nan 8.150 nan 0.000 0.542 100 G N 1.864 110.661 108.800 -0.005 0.000 2.446 100 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 100 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 100 G C 1.421 176.220 174.900 -0.169 0.000 1.168 100 G CA 1.714 46.774 45.100 -0.066 0.000 0.771 100 G HN 0.556 nan 8.290 nan 0.000 0.551 101 T N 1.036 115.477 114.554 -0.189 0.000 2.665 101 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 101 T C 2.485 176.899 174.700 -0.477 0.000 1.035 101 T CA 1.673 63.584 62.100 -0.315 0.000 1.151 101 T CB -0.733 67.917 68.868 -0.363 0.000 0.862 101 T HN 0.374 nan 8.240 nan 0.000 0.438 102 G N -0.119 108.326 108.800 -0.591 0.000 2.418 102 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 102 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 102 G C 2.003 176.342 174.900 -0.935 0.000 1.158 102 G CA 1.032 45.869 45.100 -0.439 0.000 0.771 102 G HN 0.586 nan 8.290 nan 0.000 0.545 103 C N 0.237 118.908 119.300 -1.049 0.000 2.442 103 C HA 0.038 4.498 4.460 -0.000 0.000 0.279 103 C C 3.027 177.632 174.990 -0.641 0.000 1.237 103 C CA 1.378 59.721 59.018 -1.124 0.000 1.722 103 C CB -0.764 26.694 27.740 -0.470 0.000 2.056 103 C HN 0.418 nan 8.230 nan 0.000 0.469 104 R N 0.302 120.552 120.500 -0.416 0.000 2.080 104 R HA -0.072 4.268 4.340 -0.000 0.000 0.236 104 R C 1.887 178.027 176.300 -0.266 0.000 1.137 104 R CA 1.596 57.512 56.100 -0.306 0.000 0.943 104 R CB -0.927 29.252 30.300 -0.202 0.000 0.846 104 R HN 0.451 nan 8.270 nan 0.000 0.431 105 L N -0.372 120.711 121.223 -0.233 0.000 2.093 105 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 105 L C 2.081 178.902 176.870 -0.082 0.000 1.085 105 L CA 1.883 56.647 54.840 -0.127 0.000 0.755 105 L CB -0.861 41.141 42.059 -0.095 0.000 0.904 105 L HN 0.214 nan 8.230 nan 0.000 0.435 106 T N -1.187 113.297 114.554 -0.117 0.000 2.867 106 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 106 T C 1.952 176.732 174.700 0.133 0.000 1.057 106 T CA 1.050 63.209 62.100 0.100 0.000 1.136 106 T CB -0.166 68.875 68.868 0.289 0.000 0.874 106 T HN 0.205 nan 8.240 nan 0.000 0.466 107 M N 0.896 120.362 119.600 -0.224 0.000 2.108 107 M HA -0.038 4.442 4.480 -0.000 0.000 0.261 107 M C 2.731 178.939 176.300 -0.153 0.000 1.066 107 M CA 1.770 56.784 55.300 -0.478 0.000 1.107 107 M CB -0.639 31.523 32.600 -0.730 0.000 1.356 107 M HN 0.389 nan 8.290 nan 0.000 0.406 108 G N 0.117 108.848 108.800 -0.116 0.000 2.402 108 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 108 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 108 G C 1.391 176.310 174.900 0.032 0.000 1.162 108 G CA 0.467 45.533 45.100 -0.056 0.000 0.777 108 G HN 0.317 nan 8.290 nan 0.000 0.539 109 L N 1.249 122.518 121.223 0.077 0.000 1.989 109 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 109 L C 2.825 179.821 176.870 0.210 0.000 1.071 109 L CA 2.593 57.521 54.840 0.147 0.000 0.749 109 L CB -0.370 41.781 42.059 0.153 0.000 0.890 109 L HN 0.239 nan 8.230 nan 0.000 0.431 110 V N -3.566 116.467 119.914 0.200 0.000 3.471 110 V HA 0.335 4.455 4.120 -0.000 0.000 0.258 110 V C 2.164 178.366 176.094 0.181 0.000 1.192 110 V CA 0.752 63.163 62.300 0.186 0.000 1.116 110 V CB -0.890 31.060 31.823 0.211 0.000 0.792 110 V HN 0.359 nan 8.190 nan 0.000 0.459 111 G N 1.572 110.465 108.800 0.156 0.000 2.462 111 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.220 111 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.220 111 G C 1.415 176.325 174.900 0.016 0.000 1.121 111 G CA 1.651 46.798 45.100 0.078 0.000 0.758 111 G HN 1.069 nan 8.290 nan 0.000 0.559 112 V N -3.215 116.717 119.914 0.030 0.000 3.646 112 V HA 0.370 4.490 4.120 -0.000 0.000 0.277 112 V C 0.502 176.495 176.094 -0.169 0.000 1.274 112 V CA -0.835 61.428 62.300 -0.062 0.000 1.164 112 V CB -1.253 30.520 31.823 -0.083 0.000 0.926 112 V HN 0.140 nan 8.190 nan 0.000 0.442 113 Y N 0.634 120.737 120.300 -0.328 0.000 2.320 113 Y HA 0.510 5.059 4.550 -0.000 0.000 0.324 113 Y C 0.851 176.411 175.900 -0.565 0.000 1.190 113 Y CA -0.834 56.940 58.100 -0.544 0.000 1.215 113 Y CB 0.985 38.806 38.460 -1.065 0.000 1.221 113 Y HN 0.062 nan 8.280 nan 0.000 0.486 114 D N 3.331 123.576 120.400 -0.259 0.000 2.934 114 D HA 0.117 4.757 4.640 -0.000 0.000 0.237 114 D C -1.389 174.934 176.300 0.040 0.000 1.158 114 D CA 0.235 54.176 54.000 -0.099 0.000 0.971 114 D CB -1.193 39.590 40.800 -0.028 0.000 1.123 114 D HN 0.290 nan 8.370 nan 0.000 0.467 115 F N -1.809 118.209 119.950 0.113 0.000 2.711 115 F HA 0.502 5.029 4.527 -0.000 0.000 0.313 115 F C -0.699 175.146 175.800 0.075 0.000 1.141 115 F CA -1.645 56.403 58.000 0.079 0.000 0.941 115 F CB 0.416 39.457 39.000 0.069 0.000 1.349 115 F HN -0.352 nan 8.300 nan 0.000 0.464 116 D N 1.228 121.869 120.400 0.402 0.000 2.302 116 D HA 0.508 5.148 4.640 -0.000 0.000 0.248 116 D C -0.604 175.886 176.300 0.316 0.000 1.094 116 D CA 0.115 54.276 54.000 0.269 0.000 0.897 116 D CB 1.603 42.493 40.800 0.150 0.000 1.200 116 D HN 0.785 nan 8.370 nan 0.000 0.429 117 S N -0.067 115.780 115.700 0.246 0.000 2.571 117 S HA 0.632 5.102 4.470 -0.000 0.000 0.284 117 S C -0.525 174.118 174.600 0.072 0.000 1.128 117 S CA -0.844 57.437 58.200 0.136 0.000 0.970 117 S CB 1.655 64.989 63.200 0.224 0.000 1.039 117 S HN 0.172 nan 8.310 nan 0.000 0.485 118 T N 3.115 117.600 114.554 -0.115 0.000 2.855 118 T HA 0.676 5.026 4.350 -0.000 0.000 0.281 118 T C -1.324 173.241 174.700 -0.225 0.000 1.007 118 T CA -0.284 61.806 62.100 -0.017 0.000 1.009 118 T CB 0.356 69.229 68.868 0.010 0.000 0.983 118 T HN 0.524 nan 8.240 nan 0.000 0.455 119 F N 3.457 123.472 119.950 0.108 0.000 2.507 119 F HA 0.696 5.223 4.527 -0.000 0.000 0.325 119 F C 0.303 176.179 175.800 0.126 0.000 1.116 119 F CA -1.210 56.889 58.000 0.165 0.000 0.930 119 F CB 1.129 40.216 39.000 0.145 0.000 1.146 119 F HN 0.433 nan 8.300 nan 0.000 0.447 120 I N -0.382 120.344 120.570 0.261 0.000 3.174 120 I HA 1.101 5.271 4.170 -0.000 0.000 0.313 120 I C -0.362 175.867 176.117 0.187 0.000 1.155 120 I CA -0.875 60.528 61.300 0.172 0.000 0.977 120 I CB 2.412 40.461 38.000 0.083 0.000 1.248 120 I HN 0.661 nan 8.210 nan 0.000 0.453 121 G N 1.319 110.197 108.800 0.131 0.000 2.561 121 G HA2 0.428 4.388 3.960 -0.000 0.000 0.310 121 G HA3 0.428 4.388 3.960 -0.000 0.000 0.310 121 G C -1.967 172.981 174.900 0.081 0.000 1.292 121 G CA -0.178 44.997 45.100 0.125 0.000 0.811 121 G HN 0.925 nan 8.290 nan 0.000 0.482 122 D N -0.583 119.861 120.400 0.073 0.000 2.447 122 D HA 0.515 5.155 4.640 -0.000 0.000 0.265 122 D C 1.717 178.048 176.300 0.052 0.000 1.250 122 D CA 0.351 54.383 54.000 0.053 0.000 1.046 122 D CB 0.603 41.431 40.800 0.046 0.000 1.095 122 D HN 0.690 nan 8.370 nan 0.000 0.555 123 A N -0.305 122.541 122.820 0.044 0.000 1.978 123 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 123 A C 2.184 179.798 177.584 0.050 0.000 1.170 123 A CA 2.407 54.470 52.037 0.044 0.000 0.636 123 A CB -1.079 17.945 19.000 0.039 0.000 0.810 123 A HN 0.550 nan 8.150 nan 0.000 0.448 124 S N -0.781 114.952 115.700 0.055 0.000 2.335 124 S HA -0.107 4.363 4.470 -0.000 0.000 0.217 124 S C 1.933 176.566 174.600 0.054 0.000 1.032 124 S CA 1.355 59.592 58.200 0.061 0.000 0.985 124 S CB -0.459 62.784 63.200 0.071 0.000 0.896 124 S HN 0.457 nan 8.310 nan 0.000 0.445 125 L N 1.982 123.240 121.223 0.059 0.000 2.079 125 L HA -0.006 4.334 4.340 -0.000 0.000 0.210 125 L C 2.341 179.241 176.870 0.049 0.000 1.081 125 L CA 2.262 57.136 54.840 0.057 0.000 0.752 125 L CB -1.405 40.702 42.059 0.079 0.000 0.896 125 L HN 0.346 nan 8.230 nan 0.000 0.433 126 T N -0.931 113.655 114.554 0.053 0.000 3.007 126 T HA -0.130 4.220 4.350 -0.000 0.000 0.270 126 T C 1.705 176.425 174.700 0.033 0.000 1.107 126 T CA 1.176 63.304 62.100 0.047 0.000 1.118 126 T CB -0.112 68.785 68.868 0.049 0.000 0.889 126 T HN 0.379 nan 8.240 nan 0.000 0.506 127 K N 0.262 120.680 120.400 0.031 0.000 2.361 127 K HA 0.172 4.492 4.320 -0.000 0.000 0.194 127 K C 0.755 177.363 176.600 0.014 0.000 1.032 127 K CA 0.031 56.331 56.287 0.022 0.000 1.048 127 K CB 0.414 32.928 32.500 0.023 0.000 0.842 127 K HN 0.212 nan 8.250 nan 0.000 0.526 128 R N 2.171 122.679 120.500 0.014 0.000 2.539 128 R HA 0.121 4.461 4.340 -0.000 0.000 0.275 128 R C -2.420 173.876 176.300 -0.007 0.000 1.077 128 R CA -1.742 54.360 56.100 0.004 0.000 1.097 128 R CB 0.134 30.438 30.300 0.006 0.000 1.018 128 R HN -0.033 nan 8.270 nan 0.000 0.483 129 P HA 0.013 nan 4.420 nan 0.000 0.276 129 P C -0.270 177.008 177.300 -0.037 0.000 1.235 129 P CA 0.162 63.250 63.100 -0.020 0.000 0.772 129 P CB 0.934 32.625 31.700 -0.015 0.000 0.871 130 M N 1.982 121.554 119.600 -0.046 0.000 2.308 130 M HA 0.124 4.604 4.480 -0.000 0.000 0.269 130 M C 2.034 178.289 176.300 -0.075 0.000 1.040 130 M CA 0.359 55.612 55.300 -0.078 0.000 1.024 130 M CB -0.907 31.636 32.600 -0.096 0.000 1.465 130 M HN 0.434 nan 8.290 nan 0.000 0.517 131 G N 2.342 111.114 108.800 -0.047 0.000 2.442 131 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 131 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 131 G C 1.620 176.499 174.900 -0.035 0.000 1.141 131 G CA 0.958 46.036 45.100 -0.038 0.000 0.763 131 G HN 0.594 nan 8.290 nan 0.000 0.554 132 R N -0.251 120.233 120.500 -0.026 0.000 2.159 132 R HA 0.049 4.389 4.340 -0.000 0.000 0.237 132 R C 1.943 178.216 176.300 -0.045 0.000 1.131 132 R CA 1.373 57.471 56.100 -0.003 0.000 0.982 132 R CB -0.548 29.755 30.300 0.005 0.000 0.868 132 R HN 0.300 nan 8.270 nan 0.000 0.453 133 V N 1.119 120.977 119.914 -0.094 0.000 2.922 133 V HA 0.015 4.135 4.120 -0.000 0.000 0.242 133 V C 2.177 178.168 176.094 -0.171 0.000 1.094 133 V CA 0.585 62.796 62.300 -0.149 0.000 1.106 133 V CB -0.028 31.696 31.823 -0.165 0.000 0.799 133 V HN 0.184 nan 8.190 nan 0.000 0.474 134 L N 0.389 121.528 121.223 -0.140 0.000 2.141 134 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 134 L C 2.358 179.161 176.870 -0.113 0.000 1.094 134 L CA 1.153 55.916 54.840 -0.128 0.000 0.763 134 L CB -0.708 41.291 42.059 -0.100 0.000 0.908 134 L HN 0.365 nan 8.230 nan 0.000 0.437 135 N N 0.091 118.733 118.700 -0.097 0.000 2.058 135 N HA -0.114 4.626 4.740 -0.000 0.000 0.191 135 N C -0.695 174.729 175.510 -0.143 0.000 1.037 135 N CA 1.520 54.527 53.050 -0.072 0.000 0.848 135 N CB -1.381 37.108 38.487 0.003 0.000 1.021 135 N HN 0.260 nan 8.380 nan 0.000 0.422 136 P HA -0.077 nan 4.420 nan 0.000 0.217 136 P C 1.649 178.789 177.300 -0.267 0.000 1.150 136 P CA 0.934 63.735 63.100 -0.499 0.000 0.832 136 P CB -0.009 31.056 31.700 -1.060 0.000 0.787 137 L N -0.621 120.473 121.223 -0.215 0.000 2.083 137 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 137 L C 2.957 179.767 176.870 -0.100 0.000 1.083 137 L CA 1.473 56.227 54.840 -0.144 0.000 0.752 137 L CB -0.726 41.253 42.059 -0.132 0.000 0.899 137 L HN -0.084 nan 8.230 nan 0.000 0.433 138 R N -0.122 120.325 120.500 -0.088 0.000 2.096 138 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 138 R C 2.192 178.464 176.300 -0.047 0.000 1.127 138 R CA 1.323 57.391 56.100 -0.055 0.000 0.968 138 R CB -0.234 30.041 30.300 -0.040 0.000 0.861 138 R HN 0.399 nan 8.270 nan 0.000 0.440 139 E N 0.687 120.854 120.200 -0.055 0.000 2.153 139 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 139 E C 1.621 178.198 176.600 -0.039 0.000 0.988 139 E CA 0.977 57.357 56.400 -0.033 0.000 0.811 139 E CB 0.115 29.806 29.700 -0.015 0.000 0.746 139 E HN 0.287 nan 8.360 nan 0.000 0.466 140 M N -1.111 118.452 119.600 -0.062 0.000 2.659 140 M HA 0.087 4.567 4.480 -0.000 0.000 0.243 140 M C 1.176 177.445 176.300 -0.052 0.000 1.111 140 M CA 0.894 56.158 55.300 -0.059 0.000 1.070 140 M CB 0.826 33.380 32.600 -0.077 0.000 1.525 140 M HN 0.336 nan 8.290 nan 0.000 0.517 141 G N 0.265 109.038 108.800 -0.045 0.000 2.179 141 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.220 141 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.220 141 G C 0.022 174.900 174.900 -0.037 0.000 0.990 141 G CA -0.401 44.676 45.100 -0.038 0.000 0.646 141 G HN 0.273 nan 8.290 nan 0.000 0.517 142 V N 1.601 121.489 119.914 -0.043 0.000 2.614 142 V HA 0.343 4.463 4.120 -0.000 0.000 0.291 142 V C 0.781 176.861 176.094 -0.023 0.000 1.049 142 V CA 0.069 62.348 62.300 -0.035 0.000 1.038 142 V CB 1.495 33.292 31.823 -0.044 0.000 0.980 142 V HN 0.434 nan 8.190 nan 0.000 0.481 143 Q N 3.003 122.798 119.800 -0.008 0.000 2.274 143 Q HA 0.517 4.857 4.340 -0.000 0.000 0.256 143 Q C -1.020 174.986 176.000 0.010 0.000 0.927 143 Q CA -0.420 55.384 55.803 0.002 0.000 0.939 143 Q CB 1.954 30.698 28.738 0.010 0.000 1.201 143 Q HN 0.593 nan 8.270 nan 0.000 0.426 144 V N 3.382 123.298 119.914 0.004 0.000 2.495 144 V HA 0.353 4.473 4.120 -0.000 0.000 0.298 144 V C -0.404 175.700 176.094 0.017 0.000 1.031 144 V CA -0.780 61.525 62.300 0.007 0.000 0.871 144 V CB 1.645 33.459 31.823 -0.016 0.000 0.988 144 V HN 0.654 nan 8.190 nan 0.000 0.432 145 K N 3.543 123.963 120.400 0.032 0.000 2.507 145 K HA 0.641 4.961 4.320 -0.000 0.000 0.253 145 K C -0.432 176.191 176.600 0.038 0.000 0.969 145 K CA -0.253 56.054 56.287 0.034 0.000 0.908 145 K CB 1.867 34.394 32.500 0.044 0.000 1.127 145 K HN 0.866 nan 8.250 nan 0.000 0.437 146 S N 1.365 117.080 115.700 0.025 0.000 2.704 146 S HA 0.468 4.938 4.470 -0.000 0.000 0.296 146 S C -0.428 174.185 174.600 0.022 0.000 1.138 146 S CA -1.099 57.116 58.200 0.024 0.000 0.875 146 S CB 1.825 65.029 63.200 0.006 0.000 1.151 146 S HN 0.281 nan 8.310 nan 0.000 0.500 147 E N 1.188 121.402 120.200 0.023 0.000 2.345 147 E HA 0.286 4.636 4.350 -0.000 0.000 0.259 147 E C -0.690 175.918 176.600 0.012 0.000 1.117 147 E CA -0.443 55.968 56.400 0.020 0.000 0.913 147 E CB 0.299 30.013 29.700 0.023 0.000 1.057 147 E HN 0.598 nan 8.360 nan 0.000 0.432 148 D N 0.166 120.572 120.400 0.011 0.000 2.583 148 D HA 0.133 4.773 4.640 -0.000 0.000 0.232 148 D C 1.107 177.410 176.300 0.005 0.000 1.128 148 D CA 1.534 55.538 54.000 0.007 0.000 0.859 148 D CB 0.305 41.110 40.800 0.007 0.000 1.169 148 D HN 0.672 nan 8.370 nan 0.000 0.481 149 G N 2.261 111.062 108.800 0.002 0.000 2.157 149 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.248 149 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.248 149 G C 0.166 175.063 174.900 -0.005 0.000 0.979 149 G CA 0.075 45.175 45.100 -0.001 0.000 0.650 149 G HN 0.666 nan 8.290 nan 0.000 0.529 150 D N -1.338 119.059 120.400 -0.005 0.000 2.746 150 D HA -0.124 4.516 4.640 -0.000 0.000 0.241 150 D C 0.750 177.042 176.300 -0.013 0.000 1.140 150 D CA 1.654 55.646 54.000 -0.013 0.000 0.707 150 D CB -0.336 40.451 40.800 -0.022 0.000 1.034 150 D HN 0.768 nan 8.370 nan 0.000 0.423 151 R N -0.488 120.011 120.500 -0.001 0.000 2.873 151 R HA 0.685 5.025 4.340 -0.000 0.000 0.264 151 R C 0.194 176.506 176.300 0.020 0.000 1.026 151 R CA -0.739 55.364 56.100 0.006 0.000 1.002 151 R CB 0.892 31.199 30.300 0.012 0.000 1.174 151 R HN 0.078 nan 8.270 nan 0.000 0.488 152 L N 2.496 123.738 121.223 0.033 0.000 2.473 152 L HA 0.310 4.650 4.340 -0.000 0.000 0.268 152 L C -1.787 175.118 176.870 0.058 0.000 1.215 152 L CA -1.620 53.258 54.840 0.063 0.000 0.823 152 L CB 0.351 42.462 42.059 0.087 0.000 1.099 152 L HN 0.300 nan 8.230 nan 0.000 0.483 153 P HA 0.144 nan 4.420 nan 0.000 0.271 153 P C -1.046 176.316 177.300 0.103 0.000 1.218 153 P CA -0.118 63.041 63.100 0.097 0.000 0.780 153 P CB 1.006 32.754 31.700 0.080 0.000 0.901 154 V N 2.900 122.910 119.914 0.160 0.000 2.588 154 V HA 0.400 4.520 4.120 -0.000 0.000 0.304 154 V C -0.149 176.092 176.094 0.246 0.000 1.042 154 V CA -0.275 62.115 62.300 0.151 0.000 0.877 154 V CB 2.321 34.192 31.823 0.080 0.000 0.996 154 V HN 0.462 nan 8.190 nan 0.000 0.425 155 T N 6.373 121.031 114.554 0.173 0.000 2.792 155 T HA 0.682 5.032 4.350 -0.000 0.000 0.280 155 T C -0.516 174.284 174.700 0.167 0.000 0.990 155 T CA -0.297 61.916 62.100 0.189 0.000 0.960 155 T CB 0.907 69.846 68.868 0.119 0.000 0.939 155 T HN 0.339 nan 8.240 nan 0.000 0.439 156 L N 2.800 124.159 121.223 0.227 0.000 2.330 156 L HA 0.824 5.164 4.340 -0.000 0.000 0.271 156 L C -0.068 176.883 176.870 0.135 0.000 1.013 156 L CA -1.220 53.715 54.840 0.159 0.000 0.816 156 L CB 1.640 43.813 42.059 0.190 0.000 1.287 156 L HN 0.361 nan 8.230 nan 0.000 0.435 157 R N 1.196 121.742 120.500 0.075 0.000 2.518 157 R HA 0.503 4.843 4.340 -0.000 0.000 0.296 157 R C -0.617 175.688 176.300 0.008 0.000 1.080 157 R CA -0.409 55.724 56.100 0.054 0.000 0.922 157 R CB 1.389 31.723 30.300 0.056 0.000 1.184 157 R HN 0.702 nan 8.270 nan 0.000 0.445 158 G N 4.323 113.102 108.800 -0.034 0.000 2.539 158 G HA2 0.412 4.372 3.960 -0.000 0.000 0.258 158 G HA3 0.412 4.372 3.960 -0.000 0.000 0.258 158 G C -2.282 172.584 174.900 -0.057 0.000 1.202 158 G CA -1.018 44.044 45.100 -0.063 0.000 0.851 158 G HN 0.557 nan 8.290 nan 0.000 0.556 159 P HA 0.182 nan 4.420 nan 0.000 0.278 159 P C 0.433 177.696 177.300 -0.062 0.000 1.266 159 P CA -0.565 62.507 63.100 -0.047 0.000 0.807 159 P CB 1.901 33.574 31.700 -0.045 0.000 1.094 160 K N -0.155 120.218 120.400 -0.044 0.000 2.057 160 K HA -0.038 4.282 4.320 -0.000 0.000 0.207 160 K C 0.029 176.588 176.600 -0.068 0.000 1.049 160 K CA 1.349 57.608 56.287 -0.047 0.000 0.931 160 K CB -0.220 32.264 32.500 -0.026 0.000 0.714 160 K HN 0.423 nan 8.250 nan 0.000 0.440 161 T N 3.105 117.622 114.554 -0.061 0.000 2.930 161 T HA 0.334 4.684 4.350 -0.000 0.000 0.313 161 T C -2.673 171.987 174.700 -0.067 0.000 1.019 161 T CA -1.476 60.584 62.100 -0.067 0.000 1.004 161 T CB 1.891 70.730 68.868 -0.048 0.000 0.987 161 T HN 0.036 nan 8.240 nan 0.000 0.456 162 P HA 0.299 nan 4.420 nan 0.000 0.272 162 P C -0.410 176.855 177.300 -0.059 0.000 1.230 162 P CA -0.359 62.695 63.100 -0.077 0.000 0.788 162 P CB 0.428 32.069 31.700 -0.098 0.000 0.949 163 T N 3.774 118.298 114.554 -0.049 0.000 2.749 163 T HA 0.375 4.725 4.350 -0.000 0.000 0.287 163 T C -2.309 172.370 174.700 -0.035 0.000 0.970 163 T CA -1.383 60.695 62.100 -0.037 0.000 0.980 163 T CB 0.607 69.458 68.868 -0.029 0.000 0.924 163 T HN 0.333 nan 8.240 nan 0.000 0.456 164 P HA 0.391 nan 4.420 nan 0.000 0.275 164 P C -0.542 176.753 177.300 -0.009 0.000 1.227 164 P CA -0.489 62.597 63.100 -0.023 0.000 0.781 164 P CB 0.779 32.467 31.700 -0.021 0.000 0.906 165 I N -1.480 119.090 120.570 0.000 0.000 3.108 165 I HA 0.621 4.791 4.170 -0.000 0.000 0.312 165 I C -0.828 175.320 176.117 0.051 0.000 1.095 165 I CA -0.956 60.361 61.300 0.028 0.000 1.000 165 I CB 2.353 40.377 38.000 0.039 0.000 1.229 165 I HN 0.026 nan 8.210 nan 0.000 0.454 166 T N 2.541 117.138 114.554 0.072 0.000 2.809 166 T HA 0.381 4.731 4.350 -0.000 0.000 0.296 166 T C -1.379 173.398 174.700 0.129 0.000 1.015 166 T CA -0.094 62.049 62.100 0.072 0.000 0.954 166 T CB 0.144 69.032 68.868 0.032 0.000 0.950 166 T HN 0.500 nan 8.240 nan 0.000 0.450 167 Y N 2.966 123.256 120.300 -0.016 0.000 2.328 167 Y HA 0.518 5.068 4.550 -0.000 0.000 0.336 167 Y C 0.197 176.088 175.900 -0.015 0.000 0.960 167 Y CA -1.208 56.882 58.100 -0.017 0.000 1.134 167 Y CB 0.952 39.401 38.460 -0.019 0.000 1.166 167 Y HN 0.455 nan 8.280 nan 0.000 0.464 168 R N 5.543 125.759 120.500 -0.472 0.000 2.196 168 R HA 0.428 4.768 4.340 -0.000 0.000 0.340 168 R C -1.350 174.652 176.300 -0.496 0.000 1.043 168 R CA -0.485 55.411 56.100 -0.339 0.000 0.883 168 R CB 0.449 30.597 30.300 -0.253 0.000 1.078 168 R HN 0.579 nan 8.270 nan 0.000 0.462 169 V N 8.299 128.088 119.914 -0.209 0.000 2.450 169 V HA 0.057 4.176 4.120 -0.000 0.000 0.281 169 V C -1.017 175.018 176.094 -0.098 0.000 1.019 169 V CA -0.967 61.285 62.300 -0.081 0.000 1.062 169 V CB 1.064 32.920 31.823 0.056 0.000 0.979 169 V HN 0.854 nan 8.190 nan 0.000 0.477 170 P HA -0.040 nan 4.420 nan 0.000 0.223 170 P C 0.225 177.508 177.300 -0.029 0.000 1.151 170 P CA 1.139 64.199 63.100 -0.067 0.000 0.787 170 P CB 0.320 31.987 31.700 -0.055 0.000 0.788 171 M N -2.290 117.307 119.600 -0.006 0.000 2.658 171 M HA 0.652 5.132 4.480 -0.000 0.000 0.295 171 M C -0.813 175.491 176.300 0.006 0.000 1.248 171 M CA -1.544 53.755 55.300 -0.001 0.000 0.843 171 M CB 1.108 33.710 32.600 0.004 0.000 1.749 171 M HN -0.245 nan 8.290 nan 0.000 0.464 172 A N 1.971 124.795 122.820 0.007 0.000 3.048 172 A HA 0.414 4.734 4.320 -0.000 0.000 0.264 172 A C 0.174 177.769 177.584 0.019 0.000 1.796 172 A CA -0.015 52.029 52.037 0.012 0.000 1.445 172 A CB -1.220 17.788 19.000 0.014 0.000 1.074 172 A HN 0.751 nan 8.150 nan 0.000 0.621 173 S N 0.740 116.453 115.700 0.022 0.000 2.474 173 S HA 0.530 5.000 4.470 -0.000 0.000 0.321 173 S C 1.113 175.728 174.600 0.025 0.000 1.080 173 S CA -0.013 58.201 58.200 0.024 0.000 1.106 173 S CB 1.032 64.245 63.200 0.022 0.000 0.984 173 S HN 0.885 nan 8.310 nan 0.000 0.464 174 A N 4.486 127.320 122.820 0.023 0.000 2.014 174 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 174 A C 1.979 179.577 177.584 0.023 0.000 1.163 174 A CA 1.000 53.052 52.037 0.024 0.000 0.652 174 A CB -0.429 18.588 19.000 0.029 0.000 0.808 174 A HN 0.887 nan 8.150 nan 0.000 0.449 175 Q N -0.484 119.323 119.800 0.010 0.000 2.119 175 Q HA -0.099 4.241 4.340 -0.000 0.000 0.201 175 Q C 2.096 178.084 176.000 -0.021 0.000 0.972 175 Q CA 1.563 57.356 55.803 -0.015 0.000 0.847 175 Q CB -0.273 28.441 28.738 -0.039 0.000 0.903 175 Q HN 0.504 nan 8.270 nan 0.000 0.433 176 V N 1.493 121.404 119.914 -0.005 0.000 2.307 176 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 176 V C 2.318 178.422 176.094 0.016 0.000 1.045 176 V CA 1.967 64.267 62.300 -0.001 0.000 1.024 176 V CB -0.559 31.292 31.823 0.047 0.000 0.651 176 V HN 0.352 nan 8.190 nan 0.000 0.449 177 K N 0.263 120.688 120.400 0.041 0.000 2.063 177 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 177 K C 2.273 178.892 176.600 0.032 0.000 1.048 177 K CA 2.119 58.436 56.287 0.049 0.000 0.928 177 K CB -0.275 32.251 32.500 0.043 0.000 0.713 177 K HN 0.428 nan 8.250 nan 0.000 0.442 178 S N 0.577 116.295 115.700 0.030 0.000 2.368 178 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 178 S C 2.073 176.687 174.600 0.024 0.000 1.030 178 S CA 1.114 59.342 58.200 0.046 0.000 0.999 178 S CB -0.324 62.911 63.200 0.057 0.000 0.844 178 S HN 0.559 nan 8.310 nan 0.000 0.459 179 A N 1.146 123.955 122.820 -0.018 0.000 1.902 179 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 179 A C 2.334 179.885 177.584 -0.055 0.000 1.181 179 A CA 1.600 53.607 52.037 -0.051 0.000 0.623 179 A CB -0.914 18.025 19.000 -0.103 0.000 0.818 179 A HN 0.349 nan 8.150 nan 0.000 0.443 180 V N 0.032 119.907 119.914 -0.065 0.000 2.358 180 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 180 V C 2.545 178.618 176.094 -0.035 0.000 1.047 180 V CA 1.846 64.100 62.300 -0.077 0.000 1.035 180 V CB -0.743 31.031 31.823 -0.081 0.000 0.658 180 V HN 0.557 nan 8.190 nan 0.000 0.452 181 L N -0.717 120.500 121.223 -0.009 0.000 2.056 181 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 181 L C 2.389 179.251 176.870 -0.014 0.000 1.078 181 L CA 1.414 56.248 54.840 -0.009 0.000 0.749 181 L CB -0.504 41.556 42.059 0.002 0.000 0.901 181 L HN 0.295 nan 8.230 nan 0.000 0.433 182 L N -0.477 120.753 121.223 0.011 0.000 2.093 182 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 182 L C 2.874 179.759 176.870 0.025 0.000 1.085 182 L CA 1.066 55.925 54.840 0.032 0.000 0.755 182 L CB -0.870 41.245 42.059 0.094 0.000 0.904 182 L HN 0.252 nan 8.230 nan 0.000 0.435 183 A N 0.683 123.504 122.820 0.000 0.000 1.933 183 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 183 A C 2.400 179.967 177.584 -0.029 0.000 1.175 183 A CA 1.609 53.639 52.037 -0.012 0.000 0.628 183 A CB -1.120 17.850 19.000 -0.049 0.000 0.814 183 A HN 0.434 nan 8.150 nan 0.000 0.444 184 G N -0.197 108.584 108.800 -0.033 0.000 2.470 184 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.220 184 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.220 184 G C 1.446 176.321 174.900 -0.041 0.000 1.121 184 G CA 0.941 46.018 45.100 -0.038 0.000 0.766 184 G HN 0.462 nan 8.290 nan 0.000 0.553 185 L N -0.070 121.133 121.223 -0.033 0.000 2.131 185 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 185 L C 2.026 178.873 176.870 -0.039 0.000 1.092 185 L CA 0.971 55.792 54.840 -0.032 0.000 0.759 185 L CB -0.132 41.915 42.059 -0.019 0.000 0.903 185 L HN 0.190 nan 8.230 nan 0.000 0.435 186 N N -0.990 117.670 118.700 -0.067 0.000 2.275 186 N HA 0.042 4.782 4.740 -0.000 0.000 0.236 186 N C -0.689 174.719 175.510 -0.169 0.000 1.154 186 N CA 0.043 52.993 53.050 -0.167 0.000 0.866 186 N CB 0.438 38.698 38.487 -0.378 0.000 1.093 186 N HN -0.056 nan 8.380 nan 0.000 0.515 187 T N 2.047 116.538 114.554 -0.105 0.000 2.807 187 T HA 0.412 4.761 4.350 -0.000 0.000 0.279 187 T C -2.825 171.835 174.700 -0.066 0.000 0.993 187 T CA -1.339 60.707 62.100 -0.090 0.000 0.970 187 T CB 2.214 71.039 68.868 -0.072 0.000 0.950 187 T HN 0.065 nan 8.240 nan 0.000 0.441 188 P HA 0.497 nan 4.420 nan 0.000 0.276 188 P C 0.404 177.683 177.300 -0.035 0.000 1.230 188 P CA 0.432 63.505 63.100 -0.045 0.000 0.776 188 P CB 0.926 32.600 31.700 -0.043 0.000 0.888 189 G N 2.806 111.590 108.800 -0.027 0.000 2.466 189 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.316 189 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.316 189 G C -1.423 173.466 174.900 -0.019 0.000 1.270 189 G CA -0.786 44.302 45.100 -0.021 0.000 0.982 189 G HN 0.468 nan 8.290 nan 0.000 0.506 190 I N 1.267 121.828 120.570 -0.014 0.000 2.339 190 I HA 0.468 4.638 4.170 -0.000 0.000 0.290 190 I C 0.643 176.755 176.117 -0.008 0.000 0.994 190 I CA -0.365 60.929 61.300 -0.010 0.000 1.191 190 I CB 0.679 38.676 38.000 -0.006 0.000 1.343 190 I HN 0.463 nan 8.210 nan 0.000 0.458 191 T N 5.521 120.070 114.554 -0.009 0.000 2.799 191 T HA 0.474 4.824 4.350 -0.000 0.000 0.286 191 T C 0.224 174.928 174.700 0.007 0.000 0.973 191 T CA -0.158 61.941 62.100 -0.003 0.000 1.035 191 T CB 0.989 69.849 68.868 -0.012 0.000 0.932 191 T HN 0.543 nan 8.240 nan 0.000 0.469 192 T N 2.907 117.474 114.554 0.022 0.000 2.848 192 T HA 0.556 4.906 4.350 -0.000 0.000 0.285 192 T C -0.633 174.098 174.700 0.052 0.000 0.995 192 T CA -0.507 61.609 62.100 0.027 0.000 0.970 192 T CB 1.353 70.233 68.868 0.020 0.000 0.976 192 T HN 0.305 nan 8.240 nan 0.000 0.441 193 V N 4.567 124.509 119.914 0.047 0.000 2.448 193 V HA 0.531 4.651 4.120 -0.000 0.000 0.295 193 V C -0.379 175.736 176.094 0.035 0.000 1.025 193 V CA -0.792 61.549 62.300 0.069 0.000 0.859 193 V CB 1.591 33.456 31.823 0.070 0.000 0.988 193 V HN 0.793 nan 8.190 nan 0.000 0.431 194 I N 4.123 124.705 120.570 0.020 0.000 2.339 194 I HA 0.441 4.611 4.170 -0.000 0.000 0.290 194 I C -0.023 176.085 176.117 -0.015 0.000 0.994 194 I CA -0.275 61.020 61.300 -0.008 0.000 1.191 194 I CB 1.675 39.656 38.000 -0.031 0.000 1.343 194 I HN 0.695 nan 8.210 nan 0.000 0.458 195 E N 9.212 129.407 120.200 -0.009 0.000 2.141 195 E HA 0.349 4.699 4.350 -0.000 0.000 0.259 195 E C -2.023 174.568 176.600 -0.016 0.000 0.883 195 E CA -1.856 54.539 56.400 -0.009 0.000 0.744 195 E CB 1.538 31.239 29.700 0.001 0.000 1.150 195 E HN 0.294 nan 8.360 nan 0.000 0.420 196 P HA -0.032 nan 4.420 nan 0.000 0.219 196 P C -0.019 177.273 177.300 -0.014 0.000 1.150 196 P CA 0.692 63.779 63.100 -0.021 0.000 0.814 196 P CB 0.460 32.143 31.700 -0.029 0.000 0.787 197 I N -0.618 119.945 120.570 -0.010 0.000 2.498 197 I HA 0.299 4.469 4.170 -0.000 0.000 0.290 197 I C 0.374 176.488 176.117 -0.005 0.000 1.032 197 I CA -1.111 60.185 61.300 -0.006 0.000 1.073 197 I CB 1.924 39.922 38.000 -0.002 0.000 1.251 197 I HN -0.203 nan 8.210 nan 0.000 0.426 198 M N 5.660 125.256 119.600 -0.006 0.000 2.248 198 M HA 0.251 4.731 4.480 -0.000 0.000 0.345 198 M C -0.077 176.217 176.300 -0.010 0.000 1.243 198 M CA 0.590 55.884 55.300 -0.010 0.000 1.090 198 M CB 0.339 32.931 32.600 -0.015 0.000 1.683 198 M HN 0.858 nan 8.290 nan 0.000 0.450 199 T N 2.501 117.045 114.554 -0.016 0.000 2.926 199 T HA 0.545 4.895 4.350 -0.000 0.000 0.289 199 T C -0.474 174.194 174.700 -0.053 0.000 1.054 199 T CA -1.286 60.804 62.100 -0.017 0.000 1.015 199 T CB 0.924 69.791 68.868 -0.001 0.000 1.167 199 T HN 0.853 nan 8.240 nan 0.000 0.526 200 R N 0.820 121.279 120.500 -0.068 0.000 2.523 200 R HA 0.071 4.411 4.340 -0.000 0.000 0.281 200 R C -0.573 175.583 176.300 -0.240 0.000 0.969 200 R CA 0.171 56.153 56.100 -0.196 0.000 1.093 200 R CB -0.238 29.968 30.300 -0.156 0.000 0.917 200 R HN 0.805 nan 8.270 nan 0.000 0.408 201 D N 1.757 121.945 120.400 -0.353 0.000 2.525 201 D HA 0.005 4.645 4.640 -0.000 0.000 0.229 201 D C 0.411 176.628 176.300 -0.138 0.000 1.202 201 D CA -0.324 53.563 54.000 -0.189 0.000 0.828 201 D CB -0.139 40.599 40.800 -0.104 0.000 1.008 201 D HN 0.608 nan 8.370 nan 0.000 0.493 202 H N 0.500 119.613 119.070 0.071 0.000 2.387 202 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 202 H C 1.397 176.823 175.328 0.163 0.000 1.099 202 H CA 1.730 57.837 56.048 0.097 0.000 1.315 202 H CB -0.532 29.272 29.762 0.069 0.000 1.380 202 H HN 0.205 nan 8.280 nan 0.000 0.513 203 T N 1.230 115.937 114.554 0.256 0.000 2.708 203 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 203 T C 1.947 176.759 174.700 0.186 0.000 1.037 203 T CA 1.589 63.871 62.100 0.303 0.000 1.146 203 T CB -0.041 68.962 68.868 0.224 0.000 0.865 203 T HN 0.399 nan 8.240 nan 0.000 0.435 204 E N 1.289 121.552 120.200 0.106 0.000 2.051 204 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 204 E C 2.263 178.911 176.600 0.081 0.000 0.991 204 E CA 1.115 57.552 56.400 0.061 0.000 0.799 204 E CB -0.144 29.576 29.700 0.034 0.000 0.748 204 E HN 0.426 nan 8.360 nan 0.000 0.449 205 K N 0.014 120.478 120.400 0.107 0.000 2.057 205 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 205 K C 2.195 178.902 176.600 0.178 0.000 1.049 205 K CA 1.472 57.832 56.287 0.122 0.000 0.931 205 K CB -0.138 32.437 32.500 0.123 0.000 0.714 205 K HN 0.121 nan 8.250 nan 0.000 0.440 206 M N 0.557 120.314 119.600 0.262 0.000 2.156 206 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 206 M C 2.106 178.608 176.300 0.336 0.000 1.067 206 M CA 1.395 56.932 55.300 0.395 0.000 1.131 206 M CB -0.222 32.721 32.600 0.573 0.000 1.368 206 M HN 0.097 nan 8.290 nan 0.000 0.416 207 L N -0.147 121.119 121.223 0.071 0.000 2.083 207 L HA -0.246 4.094 4.340 -0.000 0.000 0.209 207 L C 2.509 179.412 176.870 0.056 0.000 1.083 207 L CA 1.419 56.190 54.840 -0.115 0.000 0.752 207 L CB -0.673 41.241 42.059 -0.242 0.000 0.899 207 L HN 0.406 nan 8.230 nan 0.000 0.433 208 Q N -0.391 119.453 119.800 0.073 0.000 2.124 208 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 208 Q C 2.279 178.337 176.000 0.097 0.000 0.977 208 Q CA 1.418 57.263 55.803 0.069 0.000 0.850 208 Q CB -0.378 28.393 28.738 0.055 0.000 0.901 208 Q HN 0.610 nan 8.270 nan 0.000 0.429 209 G N -0.337 108.551 108.800 0.146 0.000 2.443 209 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 209 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 209 G C 0.797 175.731 174.900 0.058 0.000 1.131 209 G CA 0.224 45.386 45.100 0.104 0.000 0.775 209 G HN 0.225 nan 8.290 nan 0.000 0.547 210 F N 0.656 120.621 119.950 0.024 0.000 2.797 210 F HA 0.333 4.860 4.527 -0.000 0.000 0.302 210 F C 1.980 177.779 175.800 -0.001 0.000 1.130 210 F CA 0.373 58.384 58.000 0.019 0.000 1.387 210 F CB 0.507 39.508 39.000 0.001 0.000 1.107 210 F HN 0.252 nan 8.300 nan 0.000 0.577 211 G N -0.020 108.855 108.800 0.125 0.000 2.157 211 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.239 211 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.239 211 G C 0.435 175.365 174.900 0.051 0.000 0.982 211 G CA -0.197 44.945 45.100 0.070 0.000 0.650 211 G HN 0.602 nan 8.290 nan 0.000 0.527 212 A N -0.059 122.788 122.820 0.044 0.000 2.445 212 A HA 0.544 4.864 4.320 -0.000 0.000 0.242 212 A C 0.641 178.228 177.584 0.005 0.000 1.075 212 A CA 0.576 52.616 52.037 0.004 0.000 0.777 212 A CB 0.277 19.252 19.000 -0.041 0.000 1.013 212 A HN 0.838 nan 8.150 nan 0.000 0.493 213 N N 1.523 120.222 118.700 -0.002 0.000 2.807 213 N HA 0.303 5.043 4.740 -0.000 0.000 0.259 213 N C -1.128 174.379 175.510 -0.005 0.000 1.149 213 N CA 0.141 53.191 53.050 -0.000 0.000 1.042 213 N CB -0.397 38.090 38.487 -0.001 0.000 1.367 213 N HN 0.575 nan 8.380 nan 0.000 0.516 214 L N 2.256 123.478 121.223 -0.003 0.000 2.381 214 L HA 0.626 4.966 4.340 -0.000 0.000 0.274 214 L C -0.518 176.353 176.870 0.003 0.000 0.988 214 L CA -0.436 54.401 54.840 -0.005 0.000 0.824 214 L CB 1.641 43.693 42.059 -0.012 0.000 1.263 214 L HN 0.423 nan 8.230 nan 0.000 0.410 215 T N 1.444 116.000 114.554 0.003 0.000 2.908 215 T HA 0.768 5.118 4.350 -0.000 0.000 0.290 215 T C -0.791 173.911 174.700 0.005 0.000 1.034 215 T CA -0.758 61.345 62.100 0.005 0.000 1.010 215 T CB 1.978 70.848 68.868 0.003 0.000 1.068 215 T HN 0.273 nan 8.240 nan 0.000 0.481 216 V N 1.826 121.744 119.914 0.006 0.000 2.531 216 V HA 0.521 4.641 4.120 -0.000 0.000 0.301 216 V C -0.525 175.570 176.094 0.003 0.000 1.034 216 V CA -0.762 61.541 62.300 0.004 0.000 0.865 216 V CB 1.519 33.345 31.823 0.005 0.000 0.995 216 V HN 1.001 nan 8.190 nan 0.000 0.424 217 E N 2.208 122.409 120.200 0.001 0.000 2.199 217 E HA 0.592 4.942 4.350 -0.000 0.000 0.265 217 E C -1.013 175.586 176.600 -0.002 0.000 0.882 217 E CA -0.612 55.788 56.400 -0.000 0.000 0.759 217 E CB 2.320 32.020 29.700 -0.001 0.000 1.148 217 E HN 0.630 nan 8.360 nan 0.000 0.412 218 T N 2.088 116.641 114.554 -0.002 0.000 2.770 218 T HA 0.135 4.485 4.350 -0.000 0.000 0.283 218 T C -0.460 174.238 174.700 -0.004 0.000 0.988 218 T CA -0.776 61.322 62.100 -0.004 0.000 0.957 218 T CB 1.077 69.943 68.868 -0.004 0.000 0.930 218 T HN 0.397 nan 8.240 nan 0.000 0.443 219 D N 1.978 122.375 120.400 -0.005 0.000 2.357 219 D HA 0.187 4.827 4.640 -0.000 0.000 0.242 219 D C 1.320 177.617 176.300 -0.005 0.000 1.153 219 D CA -0.339 53.657 54.000 -0.006 0.000 0.918 219 D CB 1.288 42.084 40.800 -0.007 0.000 1.181 219 D HN 0.536 nan 8.370 nan 0.000 0.435 220 A N 2.416 125.233 122.820 -0.005 0.000 2.076 220 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 220 A C 1.361 178.942 177.584 -0.005 0.000 1.160 220 A CA 1.811 53.845 52.037 -0.005 0.000 0.653 220 A CB -0.310 18.687 19.000 -0.004 0.000 0.801 220 A HN 0.701 nan 8.150 nan 0.000 0.455 221 D N -2.447 117.949 120.400 -0.006 0.000 2.336 221 D HA 0.290 4.930 4.640 -0.000 0.000 0.229 221 D C 1.162 177.458 176.300 -0.007 0.000 1.061 221 D CA 0.944 54.940 54.000 -0.007 0.000 0.875 221 D CB -0.469 40.327 40.800 -0.008 0.000 0.904 221 D HN 0.698 nan 8.370 nan 0.000 0.525 222 G N -0.638 108.158 108.800 -0.007 0.000 2.241 222 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 222 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 222 G C 0.265 175.160 174.900 -0.008 0.000 0.998 222 G CA 0.065 45.161 45.100 -0.007 0.000 0.621 222 G HN 0.395 nan 8.290 nan 0.000 0.519 223 V N 2.040 121.948 119.914 -0.010 0.000 2.599 223 V HA 0.333 4.453 4.120 -0.000 0.000 0.300 223 V C 1.090 177.178 176.094 -0.009 0.000 1.034 223 V CA 0.443 62.736 62.300 -0.012 0.000 1.115 223 V CB 0.865 32.679 31.823 -0.015 0.000 0.934 223 V HN 0.429 nan 8.190 nan 0.000 0.485 224 R N 2.820 123.315 120.500 -0.009 0.000 2.346 224 R HA 0.547 4.887 4.340 -0.000 0.000 0.311 224 R C -0.431 175.867 176.300 -0.004 0.000 0.983 224 R CA -0.378 55.719 56.100 -0.006 0.000 0.880 224 R CB 1.450 31.747 30.300 -0.005 0.000 1.100 224 R HN 0.686 nan 8.270 nan 0.000 0.453 225 T N 4.447 118.999 114.554 -0.002 0.000 2.809 225 T HA 0.420 4.770 4.350 -0.000 0.000 0.296 225 T C -0.086 174.616 174.700 0.003 0.000 1.015 225 T CA -0.469 61.631 62.100 -0.000 0.000 0.954 225 T CB 0.402 69.269 68.868 -0.002 0.000 0.950 225 T HN 0.339 nan 8.240 nan 0.000 0.450 226 I N 3.936 124.510 120.570 0.007 0.000 2.330 226 I HA 0.449 4.619 4.170 -0.000 0.000 0.289 226 I C 0.364 176.486 176.117 0.008 0.000 1.001 226 I CA -0.735 60.570 61.300 0.008 0.000 1.193 226 I CB 1.207 39.214 38.000 0.012 0.000 1.345 226 I HN 0.273 nan 8.210 nan 0.000 0.461 227 R N 5.532 126.035 120.500 0.004 0.000 2.514 227 R HA 0.720 5.060 4.340 -0.000 0.000 0.301 227 R C -1.309 174.989 176.300 -0.003 0.000 0.962 227 R CA -0.892 55.209 56.100 0.002 0.000 0.882 227 R CB 2.336 32.637 30.300 0.001 0.000 1.143 227 R HN 0.398 nan 8.270 nan 0.000 0.452 228 L N 1.475 122.694 121.223 -0.007 0.000 2.409 228 L HA 0.358 4.698 4.340 -0.000 0.000 0.272 228 L C -0.816 176.045 176.870 -0.016 0.000 0.980 228 L CA -0.349 54.481 54.840 -0.015 0.000 0.826 228 L CB 1.987 44.032 42.059 -0.023 0.000 1.268 228 L HN 0.616 nan 8.230 nan 0.000 0.407 229 E N 3.177 123.367 120.200 -0.016 0.000 2.194 229 E HA 0.537 4.887 4.350 -0.000 0.000 0.284 229 E C -0.062 176.525 176.600 -0.022 0.000 1.035 229 E CA -0.421 55.969 56.400 -0.016 0.000 0.836 229 E CB 0.958 30.651 29.700 -0.011 0.000 1.070 229 E HN 0.892 nan 8.360 nan 0.000 0.401 230 G N 3.126 111.910 108.800 -0.026 0.000 2.572 230 G HA2 0.140 4.100 3.960 -0.000 0.000 0.261 230 G HA3 0.140 4.100 3.960 -0.000 0.000 0.261 230 G C -0.250 174.631 174.900 -0.031 0.000 1.197 230 G CA -0.513 44.566 45.100 -0.033 0.000 0.870 230 G HN 0.885 nan 8.290 nan 0.000 0.548 231 R N -1.287 119.192 120.500 -0.036 0.000 3.641 231 R HA -0.162 4.178 4.340 -0.000 0.000 0.286 231 R C 0.840 177.132 176.300 -0.012 0.000 1.153 231 R CA 0.433 56.515 56.100 -0.030 0.000 0.775 231 R CB -1.841 28.435 30.300 -0.039 0.000 1.215 231 R HN 0.845 nan 8.270 nan 0.000 0.474 232 G N 0.676 109.471 108.800 -0.008 0.000 2.462 232 G HA2 0.374 4.334 3.960 -0.000 0.000 0.319 232 G HA3 0.374 4.334 3.960 -0.000 0.000 0.319 232 G C -0.519 174.390 174.900 0.015 0.000 1.171 232 G CA -0.721 44.380 45.100 0.002 0.000 0.920 232 G HN 0.083 nan 8.290 nan 0.000 0.499 233 K N 0.103 120.518 120.400 0.025 0.000 2.382 233 K HA 0.312 4.632 4.320 -0.000 0.000 0.275 233 K C -0.581 176.053 176.600 0.057 0.000 1.009 233 K CA -0.095 56.217 56.287 0.042 0.000 0.970 233 K CB 0.314 32.838 32.500 0.041 0.000 0.934 233 K HN 0.277 nan 8.250 nan 0.000 0.479 234 L N 3.026 124.300 121.223 0.085 0.000 2.365 234 L HA 0.354 4.694 4.340 -0.000 0.000 0.273 234 L C -0.561 176.419 176.870 0.183 0.000 1.000 234 L CA -0.799 54.128 54.840 0.145 0.000 0.819 234 L CB 2.318 44.454 42.059 0.128 0.000 1.284 234 L HN 0.688 nan 8.230 nan 0.000 0.418 235 T N 1.202 115.877 114.554 0.203 0.000 2.807 235 T HA 0.404 4.753 4.350 -0.000 0.000 0.279 235 T C 0.411 175.174 174.700 0.105 0.000 0.993 235 T CA -0.565 61.611 62.100 0.127 0.000 0.970 235 T CB 1.714 70.609 68.868 0.045 0.000 0.950 235 T HN 0.736 nan 8.240 nan 0.000 0.441 236 G N 2.811 111.680 108.800 0.116 0.000 2.464 236 G HA2 0.334 4.294 3.960 -0.000 0.000 0.231 236 G HA3 0.334 4.294 3.960 -0.000 0.000 0.231 236 G C -0.414 174.389 174.900 -0.162 0.000 1.267 236 G CA -0.139 45.007 45.100 0.077 0.000 0.863 236 G HN 0.502 nan 8.290 nan 0.000 0.559 237 Q N -0.250 119.364 119.800 -0.310 0.000 2.484 237 Q HA 0.447 4.787 4.340 -0.000 0.000 0.285 237 Q C -0.750 175.165 176.000 -0.142 0.000 1.097 237 Q CA -0.895 54.694 55.803 -0.356 0.000 0.802 237 Q CB 2.302 30.585 28.738 -0.759 0.000 1.444 237 Q HN 0.329 nan 8.270 nan 0.000 0.429 238 V N 2.198 122.054 119.914 -0.097 0.000 2.432 238 V HA 0.435 4.555 4.120 -0.000 0.000 0.275 238 V C 0.022 176.107 176.094 -0.015 0.000 1.043 238 V CA -0.221 62.066 62.300 -0.022 0.000 0.925 238 V CB 0.758 32.573 31.823 -0.013 0.000 0.985 238 V HN 0.512 nan 8.190 nan 0.000 0.466 239 I N 3.946 124.537 120.570 0.034 0.000 2.509 239 I HA 0.442 4.612 4.170 -0.000 0.000 0.293 239 I C -0.935 175.210 176.117 0.047 0.000 1.020 239 I CA -0.473 60.859 61.300 0.053 0.000 1.088 239 I CB 2.226 40.290 38.000 0.106 0.000 1.267 239 I HN 0.531 nan 8.210 nan 0.000 0.430 240 D N 5.471 125.891 120.400 0.033 0.000 2.462 240 D HA 0.336 4.976 4.640 -0.000 0.000 0.245 240 D C -0.889 175.418 176.300 0.010 0.000 1.122 240 D CA -0.279 53.734 54.000 0.023 0.000 0.864 240 D CB 1.565 42.376 40.800 0.019 0.000 1.098 240 D HN 0.073 nan 8.370 nan 0.000 0.541 241 V N 6.524 126.435 119.914 -0.006 0.000 2.508 241 V HA 0.308 4.428 4.120 -0.000 0.000 0.281 241 V C -1.487 174.583 176.094 -0.040 0.000 1.041 241 V CA -0.968 61.309 62.300 -0.039 0.000 1.016 241 V CB 0.751 32.527 31.823 -0.078 0.000 0.984 241 V HN 0.568 nan 8.190 nan 0.000 0.478 242 P HA 0.246 nan 4.420 nan 0.000 0.276 242 P C 0.155 177.419 177.300 -0.060 0.000 1.252 242 P CA -0.181 62.897 63.100 -0.038 0.000 0.802 242 P CB 0.865 32.552 31.700 -0.023 0.000 1.035 243 G N 0.587 109.356 108.800 -0.052 0.000 2.441 243 G HA2 0.022 3.982 3.960 -0.000 0.000 0.243 243 G HA3 0.022 3.982 3.960 -0.000 0.000 0.243 243 G C -0.138 174.710 174.900 -0.085 0.000 1.281 243 G CA -0.163 44.895 45.100 -0.070 0.000 0.854 243 G HN 0.503 nan 8.290 nan 0.000 0.560 244 D N 2.618 122.946 120.400 -0.120 0.000 2.382 244 D HA 0.077 4.717 4.640 -0.000 0.000 0.259 244 D C -0.952 175.290 176.300 -0.096 0.000 1.224 244 D CA -1.665 52.264 54.000 -0.119 0.000 0.894 244 D CB 1.858 42.563 40.800 -0.158 0.000 1.127 244 D HN 0.112 nan 8.370 nan 0.000 0.487 245 P HA -0.044 nan 4.420 nan 0.000 0.225 245 P C 1.132 178.385 177.300 -0.079 0.000 1.156 245 P CA 0.357 63.422 63.100 -0.058 0.000 0.787 245 P CB 0.507 32.187 31.700 -0.033 0.000 0.802 246 S N -0.120 115.544 115.700 -0.062 0.000 2.387 246 S HA -0.038 4.432 4.470 -0.000 0.000 0.226 246 S C 2.136 176.703 174.600 -0.055 0.000 1.026 246 S CA 1.206 59.364 58.200 -0.069 0.000 0.972 246 S CB -0.621 62.587 63.200 0.014 0.000 0.814 246 S HN 0.215 nan 8.310 nan 0.000 0.477 247 S N 1.246 116.937 115.700 -0.014 0.000 2.387 247 S HA -0.061 4.409 4.470 -0.000 0.000 0.226 247 S C 2.044 176.711 174.600 0.113 0.000 1.026 247 S CA 1.146 59.375 58.200 0.048 0.000 0.972 247 S CB -0.566 62.298 63.200 -0.560 0.000 0.814 247 S HN 0.529 nan 8.310 nan 0.000 0.477 248 T N 2.602 117.136 114.554 -0.033 0.000 2.803 248 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 248 T C 2.082 176.772 174.700 -0.017 0.000 1.052 248 T CA 1.155 63.255 62.100 0.001 0.000 1.136 248 T CB -0.478 68.365 68.868 -0.040 0.000 0.864 248 T HN 0.476 nan 8.240 nan 0.000 0.467 249 A N 0.650 123.370 122.820 -0.166 0.000 1.978 249 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 249 A C 1.901 179.302 177.584 -0.306 0.000 1.170 249 A CA 1.351 53.203 52.037 -0.309 0.000 0.636 249 A CB -0.927 17.767 19.000 -0.510 0.000 0.810 249 A HN 0.551 nan 8.150 nan 0.000 0.448 250 F N 0.375 120.423 119.950 0.162 0.000 2.098 250 F HA -0.037 4.490 4.527 -0.000 0.000 0.294 250 F C 0.035 175.926 175.800 0.151 0.000 1.107 250 F CA 1.514 59.639 58.000 0.208 0.000 1.234 250 F CB -1.186 38.060 39.000 0.410 0.000 1.002 250 F HN 0.189 nan 8.300 nan 0.000 0.472 251 P HA -0.131 nan 4.420 nan 0.000 0.220 251 P C 2.009 179.353 177.300 0.073 0.000 1.152 251 P CA 1.205 64.395 63.100 0.151 0.000 0.812 251 P CB -0.036 31.750 31.700 0.143 0.000 0.792 252 L N -0.034 121.219 121.223 0.050 0.000 1.994 252 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 252 L C 2.397 179.260 176.870 -0.012 0.000 1.071 252 L CA 1.663 56.504 54.840 0.002 0.000 0.745 252 L CB -0.734 41.309 42.059 -0.027 0.000 0.892 252 L HN -0.225 nan 8.230 nan 0.000 0.431 253 V N 0.134 120.038 119.914 -0.018 0.000 2.427 253 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 253 V C 2.779 178.863 176.094 -0.017 0.000 1.051 253 V CA 1.467 63.753 62.300 -0.024 0.000 1.048 253 V CB -0.832 30.972 31.823 -0.032 0.000 0.666 253 V HN 0.610 nan 8.190 nan 0.000 0.456 254 A N 0.141 122.969 122.820 0.013 0.000 1.902 254 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 254 A C 2.405 179.965 177.584 -0.040 0.000 1.181 254 A CA 2.069 54.100 52.037 -0.011 0.000 0.623 254 A CB -0.707 18.306 19.000 0.023 0.000 0.818 254 A HN 0.565 nan 8.150 nan 0.000 0.443 255 A N -0.517 122.289 122.820 -0.023 0.000 1.969 255 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 255 A C 2.121 179.681 177.584 -0.039 0.000 1.169 255 A CA 1.293 53.312 52.037 -0.030 0.000 0.635 255 A CB -0.488 18.502 19.000 -0.017 0.000 0.810 255 A HN 0.472 nan 8.150 nan 0.000 0.445 256 L N -0.824 120.376 121.223 -0.039 0.000 2.109 256 L HA -0.110 4.229 4.340 -0.000 0.000 0.207 256 L C 2.361 179.194 176.870 -0.063 0.000 1.086 256 L CA 0.908 55.724 54.840 -0.041 0.000 0.760 256 L CB -0.401 41.638 42.059 -0.033 0.000 0.910 256 L HN 0.372 nan 8.230 nan 0.000 0.437 257 L N -1.169 119.994 121.223 -0.101 0.000 2.209 257 L HA 0.034 4.374 4.340 -0.000 0.000 0.207 257 L C 0.780 177.533 176.870 -0.194 0.000 1.094 257 L CA -0.030 54.699 54.840 -0.186 0.000 0.790 257 L CB -0.094 41.770 42.059 -0.325 0.000 0.932 257 L HN -0.071 nan 8.230 nan 0.000 0.447 258 V N 1.906 121.733 119.914 -0.144 0.000 2.427 258 V HA 0.154 4.274 4.120 -0.000 0.000 0.268 258 V C -2.027 174.021 176.094 -0.076 0.000 1.046 258 V CA -1.376 60.855 62.300 -0.115 0.000 0.970 258 V CB 0.487 32.258 31.823 -0.088 0.000 1.001 258 V HN -0.012 nan 8.190 nan 0.000 0.476 259 P HA 0.200 nan 4.420 nan 0.000 0.267 259 P C 0.858 178.139 177.300 -0.033 0.000 1.200 259 P CA 0.965 64.040 63.100 -0.041 0.000 0.772 259 P CB 0.565 32.246 31.700 -0.032 0.000 0.855 260 G N 0.742 109.527 108.800 -0.025 0.000 2.176 260 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.252 260 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.252 260 G C 0.099 174.985 174.900 -0.022 0.000 1.024 260 G CA -0.086 45.001 45.100 -0.021 0.000 0.755 260 G HN 0.544 nan 8.290 nan 0.000 0.507 261 S N -0.109 115.576 115.700 -0.025 0.000 2.549 261 S HA 0.655 5.125 4.470 -0.000 0.000 0.297 261 S C -0.608 173.980 174.600 -0.020 0.000 1.115 261 S CA -0.456 57.728 58.200 -0.025 0.000 1.059 261 S CB 2.108 65.289 63.200 -0.032 0.000 1.046 261 S HN 0.387 nan 8.310 nan 0.000 0.506 262 D N 2.016 122.406 120.400 -0.017 0.000 2.318 262 D HA 0.319 4.959 4.640 -0.000 0.000 0.233 262 D C -1.615 174.679 176.300 -0.011 0.000 1.348 262 D CA -0.157 53.835 54.000 -0.013 0.000 0.983 262 D CB 1.051 41.845 40.800 -0.011 0.000 1.416 262 D HN 0.247 nan 8.370 nan 0.000 0.558 263 V N 2.537 122.445 119.914 -0.009 0.000 2.540 263 V HA 0.576 4.696 4.120 -0.000 0.000 0.302 263 V C 0.243 176.336 176.094 -0.001 0.000 1.035 263 V CA -0.497 61.800 62.300 -0.005 0.000 0.873 263 V CB 2.123 33.945 31.823 -0.003 0.000 0.992 263 V HN 0.490 nan 8.190 nan 0.000 0.428 264 T N 5.902 120.456 114.554 0.001 0.000 2.779 264 T HA 0.686 5.036 4.350 -0.000 0.000 0.280 264 T C -0.455 174.249 174.700 0.007 0.000 0.987 264 T CA -0.119 61.982 62.100 0.002 0.000 0.966 264 T CB 0.931 69.800 68.868 0.000 0.000 0.933 264 T HN 0.353 nan 8.240 nan 0.000 0.442 265 I N 3.850 124.424 120.570 0.007 0.000 2.339 265 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 265 I C -0.166 175.953 176.117 0.003 0.000 0.994 265 I CA -0.510 60.796 61.300 0.011 0.000 1.191 265 I CB 1.100 39.108 38.000 0.013 0.000 1.343 265 I HN 0.376 nan 8.210 nan 0.000 0.458 266 L N 5.792 127.018 121.223 0.004 0.000 2.357 266 L HA 0.394 4.734 4.340 -0.000 0.000 0.273 266 L C 1.030 177.897 176.870 -0.005 0.000 1.080 266 L CA -0.630 54.210 54.840 0.000 0.000 0.803 266 L CB 0.627 42.688 42.059 0.003 0.000 1.174 266 L HN 0.782 nan 8.230 nan 0.000 0.443 267 N N 1.019 119.715 118.700 -0.006 0.000 2.738 267 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 267 N C -0.968 174.533 175.510 -0.017 0.000 1.047 267 N CA -0.255 52.789 53.050 -0.009 0.000 0.707 267 N CB -0.182 38.300 38.487 -0.009 0.000 0.937 267 N HN 0.302 nan 8.380 nan 0.000 0.545 268 V N 2.196 122.100 119.914 -0.016 0.000 2.432 268 V HA 0.235 4.355 4.120 -0.000 0.000 0.275 268 V C 0.916 177.000 176.094 -0.015 0.000 1.043 268 V CA -0.674 61.613 62.300 -0.022 0.000 0.925 268 V CB 1.397 33.207 31.823 -0.022 0.000 0.985 268 V HN 0.281 nan 8.190 nan 0.000 0.466 269 L N 6.496 127.709 121.223 -0.017 0.000 2.559 269 L HA 0.144 4.484 4.340 -0.000 0.000 0.274 269 L C 0.684 177.559 176.870 0.008 0.000 1.205 269 L CA 1.103 55.944 54.840 0.002 0.000 0.907 269 L CB 0.315 42.377 42.059 0.005 0.000 1.153 269 L HN 0.602 nan 8.230 nan 0.000 0.490 270 M N 3.760 123.369 119.600 0.015 0.000 2.496 270 M HA 0.176 4.656 4.480 -0.000 0.000 0.330 270 M C 0.266 176.576 176.300 0.016 0.000 1.133 270 M CA -0.133 55.172 55.300 0.009 0.000 0.964 270 M CB -1.081 31.521 32.600 0.003 0.000 1.401 270 M HN 0.780 nan 8.290 nan 0.000 0.520 271 N N 3.866 122.588 118.700 0.036 0.000 2.359 271 N HA -0.017 4.723 4.740 -0.000 0.000 0.261 271 N C -1.360 174.157 175.510 0.012 0.000 1.267 271 N CA -0.593 52.477 53.050 0.033 0.000 0.864 271 N CB 1.210 39.740 38.487 0.072 0.000 1.063 271 N HN 0.021 nan 8.380 nan 0.000 0.474 272 P HA -0.156 nan 4.420 nan 0.000 0.223 272 P C 0.695 177.986 177.300 -0.015 0.000 1.144 272 P CA 1.171 64.265 63.100 -0.009 0.000 0.783 272 P CB -0.139 31.555 31.700 -0.010 0.000 0.771 273 T N -3.743 110.796 114.554 -0.024 0.000 3.160 273 T HA 0.080 4.430 4.350 -0.000 0.000 0.257 273 T C 1.458 176.151 174.700 -0.012 0.000 1.147 273 T CA 0.301 62.382 62.100 -0.031 0.000 1.064 273 T CB -0.351 68.474 68.868 -0.072 0.000 0.949 273 T HN 0.023 nan 8.240 nan 0.000 0.526 274 R N 0.806 121.307 120.500 0.002 0.000 2.509 274 R HA 0.184 4.524 4.340 -0.000 0.000 0.297 274 R C 1.444 177.735 176.300 -0.016 0.000 0.951 274 R CA 0.698 56.806 56.100 0.014 0.000 1.103 274 R CB -0.003 30.332 30.300 0.058 0.000 1.283 274 R HN 0.628 nan 8.270 nan 0.000 0.534 275 T N -3.261 111.278 114.554 -0.024 0.000 3.214 275 T HA 0.165 4.515 4.350 -0.000 0.000 0.264 275 T C 1.570 176.237 174.700 -0.055 0.000 1.012 275 T CA 0.261 62.338 62.100 -0.039 0.000 0.901 275 T CB 0.750 69.602 68.868 -0.027 0.000 1.070 275 T HN 0.118 nan 8.240 nan 0.000 0.561 276 G N 1.969 110.730 108.800 -0.064 0.000 2.450 276 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.220 276 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.220 276 G C 1.240 176.072 174.900 -0.114 0.000 1.130 276 G CA 0.962 46.014 45.100 -0.080 0.000 0.760 276 G HN 0.513 nan 8.290 nan 0.000 0.557 277 L N 0.590 121.727 121.223 -0.143 0.000 2.027 277 L HA 0.090 4.430 4.340 -0.000 0.000 0.206 277 L C 2.669 179.474 176.870 -0.109 0.000 1.074 277 L CA 1.344 56.088 54.840 -0.160 0.000 0.745 277 L CB -0.326 41.622 42.059 -0.185 0.000 0.898 277 L HN 0.250 nan 8.230 nan 0.000 0.433 278 I N -1.003 119.515 120.570 -0.087 0.000 2.208 278 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 278 I C 2.375 178.461 176.117 -0.051 0.000 1.097 278 I CA 1.263 62.525 61.300 -0.063 0.000 1.363 278 I CB -0.412 37.558 38.000 -0.050 0.000 1.051 278 I HN 0.357 nan 8.210 nan 0.000 0.413 279 L N 0.448 121.641 121.223 -0.049 0.000 2.017 279 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 279 L C 2.478 179.326 176.870 -0.038 0.000 1.073 279 L CA 2.187 57.005 54.840 -0.037 0.000 0.745 279 L CB -1.032 41.007 42.059 -0.033 0.000 0.894 279 L HN 0.163 nan 8.230 nan 0.000 0.432 280 T N 0.035 114.558 114.554 -0.052 0.000 2.708 280 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 280 T C 1.991 176.668 174.700 -0.038 0.000 1.037 280 T CA 1.921 63.992 62.100 -0.048 0.000 1.146 280 T CB -0.412 68.411 68.868 -0.075 0.000 0.865 280 T HN 0.316 nan 8.240 nan 0.000 0.435 281 L N 0.728 121.923 121.223 -0.047 0.000 2.083 281 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 281 L C 2.930 179.786 176.870 -0.024 0.000 1.083 281 L CA 1.343 56.162 54.840 -0.035 0.000 0.752 281 L CB -0.611 41.421 42.059 -0.044 0.000 0.899 281 L HN 0.327 nan 8.230 nan 0.000 0.433 282 Q N -0.102 119.683 119.800 -0.025 0.000 2.124 282 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 282 Q C 2.043 178.036 176.000 -0.012 0.000 0.977 282 Q CA 1.502 57.294 55.803 -0.018 0.000 0.850 282 Q CB -0.092 28.635 28.738 -0.018 0.000 0.901 282 Q HN 0.564 nan 8.270 nan 0.000 0.429 283 E N 0.203 120.396 120.200 -0.012 0.000 2.204 283 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 283 E C 1.613 178.211 176.600 -0.003 0.000 0.989 283 E CA 0.767 57.163 56.400 -0.007 0.000 0.824 283 E CB -0.005 29.691 29.700 -0.006 0.000 0.756 283 E HN 0.390 nan 8.360 nan 0.000 0.477 284 M N -0.876 118.722 119.600 -0.004 0.000 2.595 284 M HA 0.087 4.567 4.480 -0.000 0.000 0.248 284 M C 1.040 177.342 176.300 0.004 0.000 1.119 284 M CA 0.721 56.022 55.300 0.003 0.000 1.079 284 M CB 0.793 33.395 32.600 0.004 0.000 1.472 284 M HN 0.277 nan 8.290 nan 0.000 0.501 285 G N 0.360 109.160 108.800 -0.000 0.000 2.154 285 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.186 285 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.186 285 G C 0.089 174.988 174.900 -0.003 0.000 1.000 285 G CA -0.185 44.915 45.100 0.000 0.000 0.664 285 G HN 0.642 nan 8.290 nan 0.000 0.513 286 A N 0.173 122.989 122.820 -0.007 0.000 2.425 286 A HA 0.517 4.837 4.320 -0.000 0.000 0.249 286 A C 0.295 177.872 177.584 -0.012 0.000 1.084 286 A CA 0.539 52.570 52.037 -0.011 0.000 0.781 286 A CB 0.489 19.479 19.000 -0.017 0.000 1.019 286 A HN 0.362 nan 8.150 nan 0.000 0.490 287 D N 2.273 122.666 120.400 -0.012 0.000 2.500 287 D HA 0.417 5.057 4.640 -0.000 0.000 0.219 287 D C -0.836 175.456 176.300 -0.013 0.000 1.137 287 D CA 0.121 54.114 54.000 -0.011 0.000 0.946 287 D CB -0.282 40.512 40.800 -0.010 0.000 1.022 287 D HN 0.358 nan 8.370 nan 0.000 0.518 288 I N 2.602 123.164 120.570 -0.014 0.000 2.410 288 I HA 0.219 4.389 4.170 -0.000 0.000 0.286 288 I C 0.193 176.303 176.117 -0.013 0.000 1.009 288 I CA -0.767 60.524 61.300 -0.015 0.000 1.111 288 I CB 1.936 39.923 38.000 -0.020 0.000 1.262 288 I HN 0.145 nan 8.210 nan 0.000 0.443 289 E N 6.153 126.347 120.200 -0.011 0.000 2.156 289 E HA 0.402 4.752 4.350 -0.000 0.000 0.279 289 E C -1.264 175.331 176.600 -0.009 0.000 0.965 289 E CA -0.656 55.739 56.400 -0.009 0.000 0.789 289 E CB 1.824 31.520 29.700 -0.007 0.000 1.098 289 E HN 0.326 nan 8.360 nan 0.000 0.397 290 V N 6.935 126.844 119.914 -0.008 0.000 2.368 290 V HA 0.272 4.392 4.120 -0.000 0.000 0.266 290 V C 0.213 176.303 176.094 -0.006 0.000 1.045 290 V CA -0.226 62.069 62.300 -0.008 0.000 0.899 290 V CB 0.484 32.302 31.823 -0.008 0.000 1.006 290 V HN 0.593 nan 8.190 nan 0.000 0.470 291 I N 4.430 124.997 120.570 -0.005 0.000 2.441 291 I HA 0.412 4.582 4.170 -0.000 0.000 0.295 291 I C 0.679 176.794 176.117 -0.002 0.000 0.994 291 I CA -0.729 60.569 61.300 -0.003 0.000 1.144 291 I CB 1.378 39.376 38.000 -0.003 0.000 1.314 291 I HN 0.680 nan 8.210 nan 0.000 0.445 292 N N 4.537 123.236 118.700 -0.001 0.000 2.705 292 N HA -0.117 4.623 4.740 -0.000 0.000 0.255 292 N C -2.373 173.137 175.510 0.000 0.000 1.008 292 N CA -0.007 53.042 53.050 -0.000 0.000 0.742 292 N CB -0.613 37.874 38.487 -0.000 0.000 0.906 292 N HN 0.310 nan 8.380 nan 0.000 0.541 293 P HA 0.070 nan 4.420 nan 0.000 0.267 293 P C -0.179 177.122 177.300 0.003 0.000 1.205 293 P CA 0.587 63.688 63.100 0.001 0.000 0.765 293 P CB 0.538 32.238 31.700 0.000 0.000 0.828 294 R N 1.845 122.347 120.500 0.004 0.000 2.781 294 R HA 0.692 5.032 4.340 -0.000 0.000 0.268 294 R C -1.588 174.717 176.300 0.008 0.000 1.047 294 R CA -1.291 54.812 56.100 0.005 0.000 0.925 294 R CB 0.604 30.907 30.300 0.005 0.000 1.246 294 R HN 0.258 nan 8.270 nan 0.000 0.456 295 L N 0.836 122.064 121.223 0.009 0.000 2.296 295 L HA 0.773 5.113 4.340 -0.000 0.000 0.286 295 L C -1.249 175.629 176.870 0.012 0.000 1.023 295 L CA -0.200 54.647 54.840 0.013 0.000 0.812 295 L CB 1.562 43.629 42.059 0.013 0.000 1.223 295 L HN 0.894 nan 8.230 nan 0.000 0.421 296 A N 3.374 126.203 122.820 0.015 0.000 2.427 296 A HA 0.610 4.930 4.320 -0.000 0.000 0.298 296 A C 0.589 178.184 177.584 0.018 0.000 1.036 296 A CA -0.102 51.943 52.037 0.013 0.000 0.701 296 A CB 1.174 20.180 19.000 0.009 0.000 1.250 296 A HN 1.637 nan 8.150 nan 0.000 0.412 297 G N 0.956 109.767 108.800 0.018 0.000 2.321 297 G HA2 0.124 4.084 3.960 -0.000 0.000 0.287 297 G HA3 0.124 4.084 3.960 -0.000 0.000 0.287 297 G C 1.692 176.613 174.900 0.035 0.000 1.018 297 G CA 1.565 46.680 45.100 0.024 0.000 0.855 297 G HN 2.884 nan 8.290 nan 0.000 0.507 298 G N -2.104 106.715 108.800 0.032 0.000 2.184 298 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.264 298 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.264 298 G C 0.072 175.002 174.900 0.049 0.000 0.975 298 G CA 1.037 46.161 45.100 0.040 0.000 0.642 298 G HN 0.910 nan 8.290 nan 0.000 0.536 299 E N 0.457 120.684 120.200 0.045 0.000 2.299 299 E HA 0.369 4.719 4.350 -0.000 0.000 0.265 299 E C -0.869 175.752 176.600 0.034 0.000 0.911 299 E CA -0.736 55.694 56.400 0.050 0.000 0.789 299 E CB 1.086 30.823 29.700 0.061 0.000 1.246 299 E HN 0.240 nan 8.360 nan 0.000 0.427 300 D N 1.427 121.848 120.400 0.034 0.000 2.351 300 D HA 0.234 4.874 4.640 -0.000 0.000 0.251 300 D C 0.041 176.352 176.300 0.018 0.000 1.137 300 D CA 0.112 54.125 54.000 0.022 0.000 0.879 300 D CB 1.219 42.031 40.800 0.020 0.000 1.181 300 D HN 0.174 nan 8.370 nan 0.000 0.448 301 V N -1.348 118.573 119.914 0.011 0.000 3.130 301 V HA 0.981 5.101 4.120 -0.000 0.000 0.310 301 V C -0.968 175.127 176.094 0.002 0.000 1.158 301 V CA -0.829 61.474 62.300 0.005 0.000 1.029 301 V CB 1.799 33.624 31.823 0.003 0.000 1.057 301 V HN 0.679 nan 8.190 nan 0.000 0.436 302 A N 1.059 123.878 122.820 -0.002 0.000 2.599 302 A HA 0.806 5.126 4.320 -0.000 0.000 0.290 302 A C -1.814 175.767 177.584 -0.005 0.000 1.101 302 A CA -0.659 51.377 52.037 -0.003 0.000 0.674 302 A CB 1.667 20.665 19.000 -0.004 0.000 1.277 302 A HN 0.900 nan 8.150 nan 0.000 0.419 303 D N 0.560 120.958 120.400 -0.004 0.000 2.181 303 D HA 0.607 5.247 4.640 -0.000 0.000 0.248 303 D C -0.845 175.451 176.300 -0.006 0.000 1.020 303 D CA 0.079 54.077 54.000 -0.004 0.000 0.891 303 D CB 1.649 42.447 40.800 -0.002 0.000 1.187 303 D HN 0.408 nan 8.370 nan 0.000 0.443 304 L N 1.406 122.625 121.223 -0.006 0.000 2.349 304 L HA 0.437 4.777 4.340 -0.000 0.000 0.278 304 L C 0.179 177.046 176.870 -0.006 0.000 0.996 304 L CA -0.761 54.074 54.840 -0.008 0.000 0.825 304 L CB 2.019 44.070 42.059 -0.012 0.000 1.243 304 L HN 0.069 nan 8.230 nan 0.000 0.412 305 R N 2.972 123.467 120.500 -0.007 0.000 2.255 305 R HA 0.641 4.981 4.340 -0.000 0.000 0.326 305 R C -1.400 174.894 176.300 -0.009 0.000 0.986 305 R CA -0.448 55.648 56.100 -0.006 0.000 0.847 305 R CB 1.297 31.593 30.300 -0.006 0.000 1.111 305 R HN 0.438 nan 8.270 nan 0.000 0.452 306 V N 5.338 125.246 119.914 -0.009 0.000 2.448 306 V HA 0.540 4.660 4.120 -0.000 0.000 0.295 306 V C -0.032 176.054 176.094 -0.013 0.000 1.025 306 V CA -0.822 61.471 62.300 -0.012 0.000 0.859 306 V CB 1.622 33.437 31.823 -0.012 0.000 0.988 306 V HN 0.792 nan 8.190 nan 0.000 0.431 307 R N 1.914 122.405 120.500 -0.015 0.000 2.750 307 R HA 0.565 4.905 4.340 -0.000 0.000 0.281 307 R C -0.224 176.064 176.300 -0.019 0.000 0.972 307 R CA -0.702 55.388 56.100 -0.016 0.000 0.912 307 R CB 2.097 32.389 30.300 -0.012 0.000 1.187 307 R HN 0.733 nan 8.270 nan 0.000 0.464 308 S N 1.239 116.926 115.700 -0.022 0.000 2.642 308 S HA 0.012 4.482 4.470 -0.000 0.000 0.308 308 S C -0.325 174.264 174.600 -0.019 0.000 1.255 308 S CA 0.350 58.534 58.200 -0.027 0.000 1.057 308 S CB 0.227 63.410 63.200 -0.028 0.000 0.785 308 S HN 0.487 nan 8.310 nan 0.000 0.500 309 S N 1.171 116.859 115.700 -0.019 0.000 2.569 309 S HA 0.636 5.106 4.470 -0.000 0.000 0.280 309 S C -0.206 174.392 174.600 -0.002 0.000 1.111 309 S CA -1.138 57.056 58.200 -0.009 0.000 0.887 309 S CB 1.995 65.189 63.200 -0.009 0.000 1.095 309 S HN 0.790 nan 8.310 nan 0.000 0.476 310 T N 0.609 115.166 114.554 0.005 0.000 2.799 310 T HA 0.725 5.075 4.350 -0.000 0.000 0.286 310 T C -0.390 174.322 174.700 0.020 0.000 0.973 310 T CA -0.663 61.447 62.100 0.017 0.000 1.035 310 T CB -0.074 68.804 68.868 0.017 0.000 0.932 310 T HN 0.412 nan 8.240 nan 0.000 0.469 311 L N 2.229 123.472 121.223 0.033 0.000 2.330 311 L HA 0.643 4.983 4.340 -0.000 0.000 0.271 311 L C 0.258 177.149 176.870 0.035 0.000 1.013 311 L CA -1.167 53.692 54.840 0.032 0.000 0.816 311 L CB 1.913 43.997 42.059 0.041 0.000 1.287 311 L HN 0.583 nan 8.230 nan 0.000 0.435 312 K N 0.586 121.001 120.400 0.025 0.000 2.324 312 K HA 0.495 4.815 4.320 -0.000 0.000 0.253 312 K C -0.127 176.486 176.600 0.021 0.000 0.932 312 K CA -0.732 55.569 56.287 0.023 0.000 0.799 312 K CB 2.207 34.717 32.500 0.016 0.000 1.154 312 K HN 0.764 nan 8.250 nan 0.000 0.425 313 G N 0.980 109.793 108.800 0.021 0.000 2.554 313 G HA2 0.346 4.306 3.960 -0.000 0.000 0.238 313 G HA3 0.346 4.306 3.960 -0.000 0.000 0.238 313 G C -0.076 174.834 174.900 0.017 0.000 1.259 313 G CA -0.272 44.840 45.100 0.020 0.000 0.843 313 G HN 0.388 nan 8.290 nan 0.000 0.582 314 V N -1.633 118.292 119.914 0.018 0.000 3.182 314 V HA 0.822 4.942 4.120 -0.000 0.000 0.308 314 V C -0.077 176.030 176.094 0.023 0.000 1.240 314 V CA -1.079 61.231 62.300 0.017 0.000 1.063 314 V CB 1.619 33.449 31.823 0.013 0.000 1.076 314 V HN 0.671 nan 8.190 nan 0.000 0.446 315 T N 1.662 116.229 114.554 0.022 0.000 2.767 315 T HA 0.606 4.956 4.350 -0.000 0.000 0.288 315 T C -0.361 174.359 174.700 0.034 0.000 0.963 315 T CA -0.180 61.936 62.100 0.027 0.000 1.019 315 T CB 1.112 69.992 68.868 0.020 0.000 0.923 315 T HN 0.730 nan 8.240 nan 0.000 0.468 316 V N 7.715 127.662 119.914 0.055 0.000 2.311 316 V HA 0.309 4.429 4.120 -0.000 0.000 0.275 316 V C -1.841 174.301 176.094 0.079 0.000 1.022 316 V CA -2.079 60.265 62.300 0.074 0.000 0.830 316 V CB 0.750 32.648 31.823 0.126 0.000 1.012 316 V HN 0.728 nan 8.190 nan 0.000 0.452 317 P HA 0.043 nan 4.420 nan 0.000 0.267 317 P C 0.851 178.186 177.300 0.057 0.000 1.200 317 P CA 0.014 63.140 63.100 0.044 0.000 0.772 317 P CB 0.961 32.678 31.700 0.029 0.000 0.855 318 E N 2.828 123.049 120.200 0.035 0.000 2.209 318 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 318 E C 0.663 177.285 176.600 0.038 0.000 0.993 318 E CA 1.725 58.142 56.400 0.029 0.000 0.819 318 E CB -0.895 28.808 29.700 0.004 0.000 0.745 318 E HN 0.522 nan 8.360 nan 0.000 0.477 319 D N 0.809 121.227 120.400 0.031 0.000 2.363 319 D HA -0.147 4.493 4.640 -0.000 0.000 0.220 319 D C 1.898 178.220 176.300 0.036 0.000 0.994 319 D CA 0.384 54.400 54.000 0.027 0.000 0.890 319 D CB -0.472 40.336 40.800 0.015 0.000 0.906 319 D HN 0.253 nan 8.370 nan 0.000 0.530 320 R N 0.016 120.548 120.500 0.054 0.000 2.280 320 R HA 0.268 4.608 4.340 -0.000 0.000 0.195 320 R C 1.917 178.269 176.300 0.086 0.000 0.935 320 R CA 0.615 56.745 56.100 0.050 0.000 1.033 320 R CB 0.023 30.346 30.300 0.039 0.000 0.964 320 R HN 0.110 nan 8.270 nan 0.000 0.489 321 A N 2.299 125.207 122.820 0.145 0.000 1.873 321 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 321 A C -0.538 177.150 177.584 0.174 0.000 1.193 321 A CA 1.276 53.461 52.037 0.247 0.000 0.629 321 A CB -1.456 17.648 19.000 0.172 0.000 0.826 321 A HN 0.304 nan 8.150 nan 0.000 0.447 322 P HA -0.151 nan 4.420 nan 0.000 0.217 322 P C 1.564 178.891 177.300 0.045 0.000 1.148 322 P CA 1.888 65.025 63.100 0.062 0.000 0.828 322 P CB -0.183 31.538 31.700 0.034 0.000 0.783 323 S N -1.464 114.253 115.700 0.030 0.000 2.603 323 S HA 0.057 4.527 4.470 -0.000 0.000 0.220 323 S C 1.135 175.721 174.600 -0.023 0.000 0.967 323 S CA 0.280 58.481 58.200 0.001 0.000 0.920 323 S CB -0.966 62.228 63.200 -0.009 0.000 0.773 323 S HN 0.260 nan 8.310 nan 0.000 0.529 324 M N -2.025 117.560 119.600 -0.025 0.000 3.836 324 M HA 0.462 4.942 4.480 -0.000 0.000 0.525 324 M C 0.567 176.819 176.300 -0.079 0.000 1.740 324 M CA -0.406 54.825 55.300 -0.115 0.000 0.680 324 M CB -0.413 32.032 32.600 -0.257 0.000 1.532 324 M HN 0.055 nan 8.290 nan 0.000 0.574 325 I N 2.792 123.423 120.570 0.101 0.000 2.248 325 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 325 I C 1.544 177.795 176.117 0.223 0.000 1.107 325 I CA 2.220 63.674 61.300 0.257 0.000 1.373 325 I CB -0.034 38.065 38.000 0.166 0.000 1.055 325 I HN 0.394 nan 8.210 nan 0.000 0.418 326 D N -0.129 120.332 120.400 0.101 0.000 2.355 326 D HA -0.069 4.571 4.640 -0.000 0.000 0.218 326 D C 1.485 177.801 176.300 0.027 0.000 1.004 326 D CA 0.482 54.533 54.000 0.085 0.000 0.880 326 D CB 0.039 40.884 40.800 0.076 0.000 0.911 326 D HN 0.424 nan 8.370 nan 0.000 0.528 327 E N -0.729 119.430 120.200 -0.067 0.000 2.463 327 E HA 0.058 4.408 4.350 -0.000 0.000 0.193 327 E C 1.028 177.521 176.600 -0.179 0.000 1.041 327 E CA -0.141 56.156 56.400 -0.171 0.000 0.879 327 E CB -0.124 29.427 29.700 -0.247 0.000 0.997 327 E HN 0.352 nan 8.360 nan 0.000 0.478 328 Y N 0.247 120.536 120.300 -0.020 0.000 2.224 328 Y HA -0.112 4.438 4.550 -0.000 0.000 0.289 328 Y C -0.731 175.166 175.900 -0.004 0.000 1.146 328 Y CA 1.161 59.256 58.100 -0.008 0.000 1.182 328 Y CB -1.024 37.440 38.460 0.007 0.000 0.983 328 Y HN 0.209 nan 8.280 nan 0.000 0.524 329 P HA -0.198 nan 4.420 nan 0.000 0.215 329 P C 1.632 178.935 177.300 0.004 0.000 1.157 329 P CA 1.390 64.546 63.100 0.093 0.000 0.863 329 P CB 0.004 31.779 31.700 0.125 0.000 0.787 330 I N -1.118 119.445 120.570 -0.012 0.000 2.546 330 I HA -0.130 4.040 4.170 -0.000 0.000 0.255 330 I C 1.860 177.938 176.117 -0.064 0.000 1.163 330 I CA 0.980 62.248 61.300 -0.053 0.000 1.457 330 I CB -0.916 36.970 38.000 -0.189 0.000 1.092 330 I HN -0.199 nan 8.210 nan 0.000 0.434 331 L N 0.912 122.090 121.223 -0.075 0.000 2.093 331 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 331 L C 2.447 179.319 176.870 0.004 0.000 1.085 331 L CA 2.153 56.958 54.840 -0.058 0.000 0.755 331 L CB -1.164 40.827 42.059 -0.114 0.000 0.904 331 L HN 0.221 nan 8.230 nan 0.000 0.435 332 A N -1.096 121.741 122.820 0.028 0.000 1.933 332 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 332 A C 2.256 179.845 177.584 0.009 0.000 1.175 332 A CA 1.905 53.966 52.037 0.040 0.000 0.628 332 A CB -1.034 18.006 19.000 0.066 0.000 0.814 332 A HN 0.320 nan 8.150 nan 0.000 0.444 333 V N -0.296 119.601 119.914 -0.028 0.000 2.358 333 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 333 V C 3.051 179.251 176.094 0.175 0.000 1.047 333 V CA 1.812 64.119 62.300 0.012 0.000 1.035 333 V CB -1.144 30.642 31.823 -0.061 0.000 0.658 333 V HN 0.610 nan 8.190 nan 0.000 0.452 334 A N 0.119 123.011 122.820 0.120 0.000 1.902 334 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 334 A C 2.407 180.090 177.584 0.165 0.000 1.181 334 A CA 2.085 54.216 52.037 0.156 0.000 0.623 334 A CB -0.788 18.244 19.000 0.053 0.000 0.818 334 A HN 0.581 nan 8.150 nan 0.000 0.443 335 A N -0.243 122.627 122.820 0.083 0.000 2.019 335 A HA 0.183 4.503 4.320 -0.000 0.000 0.219 335 A C 2.351 179.939 177.584 0.007 0.000 1.164 335 A CA 1.784 53.850 52.037 0.048 0.000 0.644 335 A CB -0.834 18.186 19.000 0.033 0.000 0.805 335 A HN 1.117 nan 8.150 nan 0.000 0.449 336 A N -1.802 120.987 122.820 -0.052 0.000 2.178 336 A HA 0.144 4.464 4.320 -0.000 0.000 0.218 336 A C 1.300 178.582 177.584 -0.504 0.000 1.157 336 A CA 1.017 52.880 52.037 -0.290 0.000 0.689 336 A CB -0.583 18.163 19.000 -0.423 0.000 0.787 336 A HN 0.513 nan 8.150 nan 0.000 0.465 337 F N -1.178 118.779 119.950 0.012 0.000 2.688 337 F HA 0.503 5.030 4.527 -0.000 0.000 0.310 337 F C 1.059 176.864 175.800 0.008 0.000 1.098 337 F CA -0.054 57.952 58.000 0.011 0.000 1.228 337 F CB 0.255 39.261 39.000 0.009 0.000 1.042 337 F HN 0.173 nan 8.300 nan 0.000 0.557 338 A N 0.183 123.077 122.820 0.122 0.000 2.295 338 A HA 0.532 4.852 4.320 -0.000 0.000 0.318 338 A C -0.237 177.376 177.584 0.047 0.000 1.134 338 A CA -0.429 51.656 52.037 0.081 0.000 0.827 338 A CB 0.507 19.542 19.000 0.059 0.000 1.136 338 A HN 0.133 nan 8.150 nan 0.000 0.493 339 E N 0.536 120.760 120.200 0.040 0.000 2.257 339 E HA 0.466 4.816 4.350 -0.000 0.000 0.278 339 E C 0.743 177.354 176.600 0.019 0.000 1.049 339 E CA 1.544 57.960 56.400 0.027 0.000 0.876 339 E CB -0.074 29.641 29.700 0.025 0.000 1.035 339 E HN 1.696 nan 8.360 nan 0.000 0.419 340 G N 2.794 111.601 108.800 0.012 0.000 2.587 340 G HA2 0.107 4.067 3.960 -0.000 0.000 0.212 340 G HA3 0.107 4.067 3.960 -0.000 0.000 0.212 340 G C -0.573 174.332 174.900 0.008 0.000 1.327 340 G CA -0.491 44.615 45.100 0.009 0.000 0.898 340 G HN 0.975 nan 8.290 nan 0.000 0.551 341 A N -0.669 122.156 122.820 0.009 0.000 2.305 341 A HA 0.830 5.150 4.320 -0.000 0.000 0.322 341 A C 0.308 177.902 177.584 0.015 0.000 1.187 341 A CA 0.696 52.739 52.037 0.009 0.000 0.825 341 A CB 1.161 20.166 19.000 0.008 0.000 1.164 341 A HN 1.480 nan 8.150 nan 0.000 0.498 342 T N 1.956 116.521 114.554 0.019 0.000 2.779 342 T HA 0.520 4.870 4.350 -0.000 0.000 0.280 342 T C -0.551 174.170 174.700 0.034 0.000 0.987 342 T CA -0.236 61.881 62.100 0.029 0.000 0.966 342 T CB 1.050 69.939 68.868 0.035 0.000 0.933 342 T HN 0.427 nan 8.240 nan 0.000 0.442 343 V N 5.153 125.089 119.914 0.036 0.000 2.409 343 V HA 0.540 4.660 4.120 -0.000 0.000 0.291 343 V C -0.381 175.744 176.094 0.052 0.000 1.020 343 V CA -0.734 61.587 62.300 0.034 0.000 0.848 343 V CB 1.397 33.233 31.823 0.022 0.000 0.990 343 V HN 0.872 nan 8.190 nan 0.000 0.430 344 M N 6.299 125.930 119.600 0.052 0.000 2.197 344 M HA 0.521 5.001 4.480 -0.000 0.000 0.301 344 M C -0.416 175.872 176.300 -0.019 0.000 0.987 344 M CA -0.422 54.918 55.300 0.067 0.000 0.921 344 M CB 1.884 34.573 32.600 0.149 0.000 1.569 344 M HN 0.802 nan 8.290 nan 0.000 0.431 345 N N 1.021 119.707 118.700 -0.023 0.000 2.815 345 N HA 0.676 5.416 4.740 -0.000 0.000 0.315 345 N C 0.467 175.923 175.510 -0.089 0.000 1.320 345 N CA -0.138 52.877 53.050 -0.057 0.000 0.846 345 N CB 0.953 39.425 38.487 -0.025 0.000 1.344 345 N HN 0.792 nan 8.380 nan 0.000 0.593 346 G N -0.800 107.953 108.800 -0.079 0.000 2.246 346 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.273 346 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.273 346 G C 0.131 174.948 174.900 -0.138 0.000 1.055 346 G CA 0.554 45.608 45.100 -0.077 0.000 0.851 346 G HN 0.516 nan 8.290 nan 0.000 0.500 347 L N 0.308 121.424 121.223 -0.179 0.000 2.700 347 L HA 0.160 4.499 4.340 -0.000 0.000 0.234 347 L C 2.437 179.223 176.870 -0.140 0.000 1.156 347 L CA 0.434 55.127 54.840 -0.244 0.000 0.946 347 L CB -0.139 41.732 42.059 -0.313 0.000 1.216 347 L HN 0.495 nan 8.230 nan 0.000 0.493 348 E N 0.477 120.623 120.200 -0.090 0.000 2.130 348 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 348 E C 1.087 177.658 176.600 -0.047 0.000 0.998 348 E CA 1.324 57.688 56.400 -0.059 0.000 0.806 348 E CB -0.146 29.529 29.700 -0.042 0.000 0.738 348 E HN 0.469 nan 8.360 nan 0.000 0.459 349 E N 0.868 121.041 120.200 -0.044 0.000 2.268 349 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 349 E C 2.347 178.938 176.600 -0.014 0.000 0.995 349 E CA 0.372 56.760 56.400 -0.021 0.000 0.836 349 E CB -0.191 29.506 29.700 -0.005 0.000 0.763 349 E HN 0.423 nan 8.360 nan 0.000 0.491 350 L N 0.203 121.405 121.223 -0.035 0.000 2.191 350 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 350 L C 2.317 179.181 176.870 -0.008 0.000 1.103 350 L CA 0.871 55.702 54.840 -0.014 0.000 0.769 350 L CB -0.285 41.747 42.059 -0.046 0.000 0.908 350 L HN 0.014 nan 8.230 nan 0.000 0.438 351 R N -0.064 120.422 120.500 -0.023 0.000 2.280 351 R HA -0.039 4.301 4.340 -0.000 0.000 0.207 351 R C 1.258 177.549 176.300 -0.015 0.000 1.043 351 R CA 0.869 56.955 56.100 -0.024 0.000 1.006 351 R CB 0.018 30.299 30.300 -0.031 0.000 0.885 351 R HN 0.361 nan 8.270 nan 0.000 0.467 352 V N -2.043 117.868 119.914 -0.005 0.000 3.006 352 V HA 0.268 4.388 4.120 -0.000 0.000 0.357 352 V C 0.293 176.396 176.094 0.014 0.000 1.377 352 V CA -0.505 61.796 62.300 0.001 0.000 1.198 352 V CB -0.079 31.742 31.823 -0.003 0.000 1.216 352 V HN -0.100 nan 8.190 nan 0.000 0.520 353 K N 0.870 121.286 120.400 0.027 0.000 2.761 353 K HA 0.409 4.729 4.320 -0.000 0.000 0.286 353 K C 1.229 177.864 176.600 0.059 0.000 1.019 353 K CA -0.257 56.059 56.287 0.049 0.000 1.070 353 K CB 0.508 33.048 32.500 0.067 0.000 1.387 353 K HN 0.212 nan 8.250 nan 0.000 0.509 354 E N 0.727 120.981 120.200 0.090 0.000 2.187 354 E HA -0.159 4.191 4.350 -0.000 0.000 0.199 354 E C 0.417 177.072 176.600 0.092 0.000 1.004 354 E CA 1.371 57.834 56.400 0.104 0.000 0.813 354 E CB 0.082 29.878 29.700 0.160 0.000 0.736 354 E HN 0.514 nan 8.360 nan 0.000 0.468 355 S N -0.627 115.121 115.700 0.081 0.000 2.685 355 S HA 0.187 4.657 4.470 -0.000 0.000 0.282 355 S C -1.108 173.498 174.600 0.009 0.000 1.159 355 S CA -1.182 57.048 58.200 0.051 0.000 0.833 355 S CB 1.782 65.040 63.200 0.097 0.000 1.151 355 S HN -0.042 nan 8.310 nan 0.000 0.485 356 D N 0.236 120.603 120.400 -0.056 0.000 2.359 356 D HA 0.235 4.875 4.640 -0.000 0.000 0.250 356 D C 0.989 177.274 176.300 -0.025 0.000 1.264 356 D CA -0.172 53.798 54.000 -0.050 0.000 0.911 356 D CB 0.417 41.163 40.800 -0.090 0.000 1.056 356 D HN 0.537 nan 8.370 nan 0.000 0.499 357 R N 2.443 122.954 120.500 0.019 0.000 2.148 357 R HA -0.117 4.223 4.340 -0.000 0.000 0.227 357 R C 1.731 178.065 176.300 0.057 0.000 1.103 357 R CA 0.428 56.563 56.100 0.059 0.000 0.983 357 R CB 0.002 30.352 30.300 0.083 0.000 0.874 357 R HN 0.368 nan 8.270 nan 0.000 0.451 358 L N 0.339 121.571 121.223 0.016 0.000 2.027 358 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 358 L C 2.257 179.137 176.870 0.018 0.000 1.074 358 L CA 1.896 56.741 54.840 0.007 0.000 0.745 358 L CB -0.907 41.134 42.059 -0.031 0.000 0.898 358 L HN 0.004 nan 8.230 nan 0.000 0.433 359 S N -0.831 114.864 115.700 -0.009 0.000 2.368 359 S HA -0.123 4.347 4.470 -0.000 0.000 0.224 359 S C 2.132 176.736 174.600 0.006 0.000 1.029 359 S CA 1.194 59.383 58.200 -0.019 0.000 0.988 359 S CB -0.419 62.741 63.200 -0.067 0.000 0.838 359 S HN 0.622 nan 8.310 nan 0.000 0.462 360 A N 0.684 123.514 122.820 0.017 0.000 1.930 360 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 360 A C 2.330 179.999 177.584 0.141 0.000 1.175 360 A CA 1.664 53.754 52.037 0.089 0.000 0.627 360 A CB -0.934 18.152 19.000 0.144 0.000 0.815 360 A HN 0.450 nan 8.150 nan 0.000 0.443 361 V N -0.223 119.810 119.914 0.198 0.000 2.307 361 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 361 V C 3.067 179.312 176.094 0.252 0.000 1.045 361 V CA 1.855 64.352 62.300 0.329 0.000 1.024 361 V CB -1.159 30.807 31.823 0.238 0.000 0.651 361 V HN 0.607 nan 8.190 nan 0.000 0.449 362 A N 0.497 123.395 122.820 0.131 0.000 1.883 362 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 362 A C 2.038 179.659 177.584 0.061 0.000 1.186 362 A CA 2.195 54.285 52.037 0.087 0.000 0.624 362 A CB -0.701 18.326 19.000 0.045 0.000 0.822 362 A HN 0.593 nan 8.150 nan 0.000 0.444 363 N N 0.120 118.839 118.700 0.031 0.000 2.188 363 N HA -0.081 4.659 4.740 -0.000 0.000 0.184 363 N C 1.801 177.266 175.510 -0.076 0.000 1.018 363 N CA 1.426 54.470 53.050 -0.010 0.000 0.858 363 N CB -0.803 37.683 38.487 -0.002 0.000 0.989 363 N HN 0.474 nan 8.380 nan 0.000 0.426 364 G N 0.992 109.690 108.800 -0.170 0.000 2.408 364 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.217 364 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.217 364 G C 1.657 176.461 174.900 -0.160 0.000 1.150 364 G CA 0.277 45.049 45.100 -0.546 0.000 0.776 364 G HN 0.211 nan 8.290 nan 0.000 0.542 365 L N -0.066 121.267 121.223 0.184 0.000 2.017 365 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 365 L C 2.974 179.897 176.870 0.088 0.000 1.073 365 L CA 1.339 56.323 54.840 0.240 0.000 0.745 365 L CB -0.301 41.876 42.059 0.197 0.000 0.894 365 L HN 0.162 nan 8.230 nan 0.000 0.432 366 K N -0.190 120.235 120.400 0.042 0.000 2.057 366 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 366 K C 2.005 178.604 176.600 -0.000 0.000 1.049 366 K CA 1.156 57.452 56.287 0.014 0.000 0.931 366 K CB -0.319 32.185 32.500 0.007 0.000 0.714 366 K HN 0.074 nan 8.250 nan 0.000 0.440 367 L N 1.699 122.908 121.223 -0.024 0.000 2.191 367 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 367 L C 0.710 177.574 176.870 -0.011 0.000 1.103 367 L CA 1.690 56.508 54.840 -0.036 0.000 0.769 367 L CB -0.177 41.830 42.059 -0.086 0.000 0.908 367 L HN 0.152 nan 8.230 nan 0.000 0.438 368 N N -0.002 118.708 118.700 0.016 0.000 2.320 368 N HA 0.188 4.928 4.740 -0.000 0.000 0.237 368 N C 1.010 176.540 175.510 0.034 0.000 1.129 368 N CA 0.749 53.829 53.050 0.050 0.000 0.854 368 N CB 0.390 38.951 38.487 0.124 0.000 1.083 368 N HN 0.446 nan 8.380 nan 0.000 0.504 369 G N 0.134 108.942 108.800 0.014 0.000 2.155 369 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.257 369 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.257 369 G C 0.146 175.035 174.900 -0.017 0.000 0.983 369 G CA 0.167 45.267 45.100 -0.000 0.000 0.676 369 G HN 0.228 nan 8.290 nan 0.000 0.528 370 V N 0.946 120.852 119.914 -0.014 0.000 2.546 370 V HA 0.426 4.546 4.120 -0.000 0.000 0.284 370 V C 0.475 176.558 176.094 -0.017 0.000 1.050 370 V CA -0.269 62.010 62.300 -0.036 0.000 0.981 370 V CB 1.763 33.566 31.823 -0.033 0.000 0.990 370 V HN 0.384 nan 8.190 nan 0.000 0.474 371 D N 4.447 124.831 120.400 -0.027 0.000 2.325 371 D HA 0.429 5.069 4.640 -0.000 0.000 0.251 371 D C -0.363 175.932 176.300 -0.008 0.000 1.196 371 D CA -0.094 53.898 54.000 -0.014 0.000 0.866 371 D CB 0.597 41.387 40.800 -0.017 0.000 1.101 371 D HN 0.818 nan 8.370 nan 0.000 0.476 372 C N 2.120 121.422 119.300 0.002 0.000 3.239 372 C HA 0.726 5.186 4.460 -0.000 0.000 0.317 372 C C -1.510 173.485 174.990 0.009 0.000 1.310 372 C CA -0.950 58.074 59.018 0.009 0.000 1.371 372 C CB 1.928 29.681 27.740 0.022 0.000 1.714 372 C HN 0.507 nan 8.230 nan 0.000 0.473 373 D N 1.477 121.882 120.400 0.009 0.000 2.593 373 D HA 0.359 4.998 4.640 -0.000 0.000 0.251 373 D C -0.998 175.305 176.300 0.005 0.000 1.140 373 D CA 0.183 54.186 54.000 0.005 0.000 0.855 373 D CB 2.114 42.915 40.800 0.002 0.000 1.267 373 D HN 0.796 nan 8.370 nan 0.000 0.532 374 E N 1.456 121.658 120.200 0.003 0.000 2.167 374 E HA 0.514 4.864 4.350 -0.000 0.000 0.284 374 E C -0.230 176.365 176.600 -0.009 0.000 1.016 374 E CA -0.624 55.775 56.400 -0.001 0.000 0.817 374 E CB 1.092 30.793 29.700 0.001 0.000 1.080 374 E HN 0.520 nan 8.360 nan 0.000 0.397 375 G N 3.019 111.810 108.800 -0.015 0.000 2.552 375 G HA2 0.081 4.041 3.960 -0.000 0.000 0.324 375 G HA3 0.081 4.041 3.960 -0.000 0.000 0.324 375 G C 0.387 175.272 174.900 -0.025 0.000 1.217 375 G CA -0.359 44.730 45.100 -0.019 0.000 0.989 375 G HN 0.693 nan 8.290 nan 0.000 0.490 376 E N -0.889 119.297 120.200 -0.025 0.000 2.118 376 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 376 E C 1.568 178.145 176.600 -0.038 0.000 0.992 376 E CA 1.745 58.128 56.400 -0.028 0.000 0.804 376 E CB 0.002 29.687 29.700 -0.024 0.000 0.741 376 E HN 0.521 nan 8.360 nan 0.000 0.458 377 T N -2.043 112.485 114.554 -0.043 0.000 3.516 377 T HA 0.271 4.621 4.350 -0.000 0.000 0.300 377 T C -0.238 174.417 174.700 -0.076 0.000 0.995 377 T CA -0.281 61.783 62.100 -0.061 0.000 0.982 377 T CB 0.338 69.174 68.868 -0.054 0.000 1.199 377 T HN 0.086 nan 8.240 nan 0.000 0.481 378 S N 0.639 116.300 115.700 -0.065 0.000 2.615 378 S HA 0.850 5.320 4.470 -0.000 0.000 0.269 378 S C -1.989 172.584 174.600 -0.045 0.000 1.161 378 S CA -0.992 57.170 58.200 -0.065 0.000 0.817 378 S CB 2.150 65.326 63.200 -0.040 0.000 1.131 378 S HN 0.519 nan 8.310 nan 0.000 0.467 379 L N 0.884 122.088 121.223 -0.031 0.000 2.493 379 L HA 0.808 5.148 4.340 -0.000 0.000 0.265 379 L C -1.850 175.028 176.870 0.013 0.000 0.954 379 L CA -0.337 54.501 54.840 -0.003 0.000 0.844 379 L CB 2.037 44.102 42.059 0.009 0.000 1.302 379 L HN 0.768 nan 8.230 nan 0.000 0.405 380 V N 5.091 125.013 119.914 0.014 0.000 2.495 380 V HA 0.741 4.861 4.120 -0.000 0.000 0.298 380 V C -0.737 175.367 176.094 0.017 0.000 1.031 380 V CA -0.638 61.672 62.300 0.016 0.000 0.871 380 V CB 2.002 33.831 31.823 0.009 0.000 0.988 380 V HN 0.529 nan 8.190 nan 0.000 0.432 381 V N 5.414 125.339 119.914 0.018 0.000 2.638 381 V HA 0.559 4.679 4.120 -0.000 0.000 0.306 381 V C -0.249 175.845 176.094 -0.001 0.000 1.052 381 V CA -0.819 61.486 62.300 0.009 0.000 0.885 381 V CB 2.206 34.037 31.823 0.014 0.000 0.999 381 V HN 0.809 nan 8.190 nan 0.000 0.424 382 R N 2.223 122.715 120.500 -0.013 0.000 2.338 382 R HA 0.675 5.015 4.340 -0.000 0.000 0.317 382 R C 0.278 176.553 176.300 -0.041 0.000 0.968 382 R CA -0.373 55.716 56.100 -0.017 0.000 0.849 382 R CB 2.118 32.410 30.300 -0.013 0.000 1.128 382 R HN 0.907 nan 8.270 nan 0.000 0.448 383 G N 0.993 109.770 108.800 -0.039 0.000 2.511 383 G HA2 0.414 4.374 3.960 -0.000 0.000 0.316 383 G HA3 0.414 4.374 3.960 -0.000 0.000 0.316 383 G C -0.874 173.991 174.900 -0.058 0.000 1.210 383 G CA -0.477 44.579 45.100 -0.074 0.000 0.969 383 G HN 0.367 nan 8.290 nan 0.000 0.492 384 R N 0.908 121.355 120.500 -0.088 0.000 2.487 384 R HA 0.424 4.764 4.340 -0.000 0.000 0.288 384 R C -2.053 174.277 176.300 0.050 0.000 1.394 384 R CA -1.609 54.472 56.100 -0.031 0.000 1.155 384 R CB 1.498 31.762 30.300 -0.060 0.000 1.156 384 R HN 0.207 nan 8.270 nan 0.000 0.553 385 P HA -0.213 nan 4.420 nan 0.000 0.216 385 P C 0.156 177.565 177.300 0.183 0.000 1.154 385 P CA 1.606 64.797 63.100 0.151 0.000 0.865 385 P CB 0.228 31.982 31.700 0.089 0.000 0.789 386 D N -2.395 118.082 120.400 0.128 0.000 2.363 386 D HA 0.058 4.698 4.640 -0.000 0.000 0.226 386 D C 1.469 177.868 176.300 0.165 0.000 1.020 386 D CA 0.836 54.906 54.000 0.117 0.000 0.892 386 D CB -1.138 39.705 40.800 0.071 0.000 0.900 386 D HN 0.233 nan 8.370 nan 0.000 0.531 387 G N 0.146 109.092 108.800 0.245 0.000 2.189 387 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.267 387 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.267 387 G C 0.195 175.186 174.900 0.152 0.000 0.975 387 G CA 0.339 45.624 45.100 0.308 0.000 0.644 387 G HN 0.486 nan 8.290 nan 0.000 0.537 388 K N 0.121 120.577 120.400 0.094 0.000 2.448 388 K HA 0.397 4.717 4.320 -0.000 0.000 0.278 388 K C 1.530 178.154 176.600 0.040 0.000 1.009 388 K CA 0.756 57.079 56.287 0.060 0.000 0.995 388 K CB 0.441 32.968 32.500 0.044 0.000 0.917 388 K HN 1.243 nan 8.250 nan 0.000 0.481 389 G N 1.967 110.789 108.800 0.037 0.000 2.184 389 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.264 389 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.264 389 G C 0.104 175.017 174.900 0.021 0.000 0.975 389 G CA 0.015 45.129 45.100 0.024 0.000 0.642 389 G HN 0.433 nan 8.290 nan 0.000 0.536 390 L N -0.102 121.142 121.223 0.035 0.000 2.387 390 L HA 0.690 5.030 4.340 -0.000 0.000 0.266 390 L C 1.296 178.212 176.870 0.077 0.000 1.059 390 L CA 0.028 54.886 54.840 0.031 0.000 0.801 390 L CB 1.240 43.289 42.059 -0.017 0.000 1.223 390 L HN 1.136 nan 8.230 nan 0.000 0.456 391 G N 1.460 110.313 108.800 0.088 0.000 2.627 391 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.214 391 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.214 391 G C -0.959 173.980 174.900 0.065 0.000 1.331 391 G CA -0.578 44.584 45.100 0.103 0.000 0.891 391 G HN 0.720 nan 8.290 nan 0.000 0.539 392 N N 0.355 119.089 118.700 0.056 0.000 2.577 392 N HA 0.501 5.241 4.740 -0.000 0.000 0.275 392 N C 1.075 176.602 175.510 0.029 0.000 1.091 392 N CA 0.534 53.604 53.050 0.033 0.000 0.843 392 N CB 1.402 39.900 38.487 0.020 0.000 1.295 392 N HN 1.222 nan 8.380 nan 0.000 0.530 393 A N 2.123 124.958 122.820 0.025 0.000 1.978 393 A HA -0.152 4.167 4.320 -0.000 0.000 0.220 393 A C 1.947 179.540 177.584 0.015 0.000 1.170 393 A CA 2.104 54.154 52.037 0.022 0.000 0.636 393 A CB -0.367 18.644 19.000 0.020 0.000 0.810 393 A HN 0.711 nan 8.150 nan 0.000 0.448 394 S N -1.611 114.096 115.700 0.011 0.000 2.561 394 S HA 0.316 4.786 4.470 -0.000 0.000 0.225 394 S C 1.439 176.042 174.600 0.004 0.000 0.977 394 S CA 1.164 59.367 58.200 0.006 0.000 0.926 394 S CB -0.531 62.670 63.200 0.002 0.000 0.769 394 S HN 1.987 nan 8.310 nan 0.000 0.533 395 G N 0.728 109.532 108.800 0.008 0.000 2.136 395 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.242 395 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.242 395 G C 0.223 175.121 174.900 -0.003 0.000 0.989 395 G CA -0.015 45.089 45.100 0.006 0.000 0.682 395 G HN 1.325 nan 8.290 nan 0.000 0.522 396 A N -0.211 122.604 122.820 -0.008 0.000 2.498 396 A HA 0.744 5.064 4.320 -0.000 0.000 0.239 396 A C 0.928 178.493 177.584 -0.032 0.000 1.068 396 A CA 1.026 53.051 52.037 -0.021 0.000 0.766 396 A CB 0.513 19.499 19.000 -0.024 0.000 1.003 396 A HN 2.113 nan 8.150 nan 0.000 0.497 397 A N 2.474 125.267 122.820 -0.045 0.000 2.309 397 A HA 0.553 4.873 4.320 -0.000 0.000 0.298 397 A C 0.089 177.609 177.584 -0.105 0.000 1.165 397 A CA -0.467 51.533 52.037 -0.061 0.000 0.821 397 A CB 0.365 19.333 19.000 -0.053 0.000 1.102 397 A HN 1.011 nan 8.150 nan 0.000 0.500 398 V N 2.154 121.981 119.914 -0.146 0.000 2.585 398 V HA 0.299 4.419 4.120 -0.000 0.000 0.296 398 V C 1.080 177.054 176.094 -0.199 0.000 1.035 398 V CA 0.332 62.479 62.300 -0.254 0.000 1.084 398 V CB 0.788 32.340 31.823 -0.453 0.000 0.953 398 V HN 1.033 nan 8.190 nan 0.000 0.483 399 A N 3.855 126.553 122.820 -0.203 0.000 2.396 399 A HA 0.410 4.730 4.320 -0.000 0.000 0.279 399 A C 1.309 178.770 177.584 -0.206 0.000 1.165 399 A CA 0.260 52.139 52.037 -0.263 0.000 0.824 399 A CB 0.157 18.951 19.000 -0.344 0.000 1.100 399 A HN 1.068 nan 8.150 nan 0.000 0.516 400 T N -0.652 113.801 114.554 -0.168 0.000 3.067 400 T HA 0.000 4.350 4.350 -0.000 0.000 0.261 400 T C 0.704 175.445 174.700 0.069 0.000 1.110 400 T CA 0.859 62.947 62.100 -0.020 0.000 1.113 400 T CB -0.451 68.412 68.868 -0.008 0.000 0.917 400 T HN 0.820 nan 8.240 nan 0.000 0.499 401 H N 1.741 120.816 119.070 0.008 0.000 2.626 401 H HA -0.134 4.422 4.556 -0.000 0.000 0.317 401 H C 0.656 176.004 175.328 0.033 0.000 1.140 401 H CA 0.925 56.983 56.048 0.017 0.000 1.134 401 H CB -2.185 27.588 29.762 0.019 0.000 1.486 401 H HN 0.527 nan 8.280 nan 0.000 0.417 402 L N -1.152 120.119 121.223 0.080 0.000 4.001 402 L HA -0.249 4.091 4.340 -0.000 0.000 0.413 402 L C 0.417 177.355 176.870 0.114 0.000 1.185 402 L CA 1.307 56.193 54.840 0.077 0.000 0.963 402 L CB -0.706 41.397 42.059 0.072 0.000 1.976 402 L HN 0.358 nan 8.230 nan 0.000 0.939 403 D N -0.106 120.375 120.400 0.135 0.000 2.441 403 D HA 0.149 4.789 4.640 -0.000 0.000 0.231 403 D C 1.533 177.926 176.300 0.156 0.000 1.073 403 D CA -0.310 53.796 54.000 0.177 0.000 0.850 403 D CB 0.685 41.578 40.800 0.156 0.000 1.062 403 D HN 0.306 nan 8.370 nan 0.000 0.524 404 H N 4.217 123.291 119.070 0.006 0.000 2.489 404 H HA -0.042 4.514 4.556 -0.000 0.000 0.295 404 H C 0.926 176.188 175.328 -0.111 0.000 1.082 404 H CA 0.898 56.906 56.048 -0.067 0.000 1.295 404 H CB 0.069 29.792 29.762 -0.065 0.000 1.380 404 H HN 0.365 nan 8.280 nan 0.000 0.548 405 R N -0.091 120.099 120.500 -0.516 0.000 2.153 405 R HA 0.032 4.372 4.340 -0.000 0.000 0.218 405 R C 2.222 178.480 176.300 -0.069 0.000 1.072 405 R CA 0.690 56.599 56.100 -0.319 0.000 0.990 405 R CB 0.213 30.445 30.300 -0.114 0.000 0.889 405 R HN 0.263 nan 8.270 nan 0.000 0.452 406 I N 0.811 121.400 120.570 0.031 0.000 2.286 406 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 406 I C 2.530 178.757 176.117 0.184 0.000 1.104 406 I CA 1.112 62.532 61.300 0.199 0.000 1.397 406 I CB -1.361 36.770 38.000 0.219 0.000 1.072 406 I HN 0.077 nan 8.210 nan 0.000 0.417 407 A N 0.765 123.595 122.820 0.018 0.000 1.883 407 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 407 A C 2.399 179.869 177.584 -0.189 0.000 1.186 407 A CA 1.823 53.832 52.037 -0.047 0.000 0.624 407 A CB -0.599 18.338 19.000 -0.105 0.000 0.822 407 A HN 0.349 nan 8.150 nan 0.000 0.444 408 M N -0.571 118.727 119.600 -0.502 0.000 2.175 408 M HA -0.113 4.367 4.480 -0.000 0.000 0.264 408 M C 2.430 178.514 176.300 -0.361 0.000 1.063 408 M CA 1.565 56.337 55.300 -0.880 0.000 1.119 408 M CB -0.325 31.156 32.600 -1.864 0.000 1.377 408 M HN 0.423 nan 8.290 nan 0.000 0.415 409 S N 0.238 115.862 115.700 -0.126 0.000 2.356 409 S HA -0.087 4.383 4.470 -0.000 0.000 0.223 409 S C 1.560 176.059 174.600 -0.170 0.000 1.032 409 S CA 1.340 59.549 58.200 0.016 0.000 1.005 409 S CB -0.364 62.792 63.200 -0.074 0.000 0.867 409 S HN 0.346 nan 8.310 nan 0.000 0.449 410 F N 1.296 121.286 119.950 0.068 0.000 2.325 410 F HA 0.141 4.668 4.527 -0.000 0.000 0.299 410 F C 1.873 177.722 175.800 0.081 0.000 1.090 410 F CA 0.439 58.486 58.000 0.078 0.000 1.392 410 F CB -0.366 38.664 39.000 0.051 0.000 1.053 410 F HN 0.114 nan 8.300 nan 0.000 0.521 411 L N -0.971 120.357 121.223 0.174 0.000 2.093 411 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 411 L C 2.316 179.284 176.870 0.163 0.000 1.085 411 L CA 0.544 55.485 54.840 0.167 0.000 0.755 411 L CB -0.633 41.538 42.059 0.188 0.000 0.904 411 L HN -0.033 nan 8.230 nan 0.000 0.435 412 V N -0.215 119.801 119.914 0.169 0.000 2.343 412 V HA -0.358 3.762 4.120 -0.000 0.000 0.247 412 V C 2.449 178.595 176.094 0.088 0.000 1.051 412 V CA 1.999 64.385 62.300 0.143 0.000 1.036 412 V CB -0.367 31.573 31.823 0.195 0.000 0.654 412 V HN 0.471 nan 8.190 nan 0.000 0.451 413 M N 0.633 120.298 119.600 0.109 0.000 2.108 413 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 413 M C 1.949 178.362 176.300 0.189 0.000 1.066 413 M CA 2.343 57.759 55.300 0.193 0.000 1.107 413 M CB -0.584 32.154 32.600 0.230 0.000 1.356 413 M HN 0.395 nan 8.290 nan 0.000 0.406 414 G N 0.152 109.048 108.800 0.160 0.000 2.509 414 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 414 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 414 G C 1.272 176.214 174.900 0.070 0.000 1.124 414 G CA 0.420 45.597 45.100 0.128 0.000 0.776 414 G HN 0.497 nan 8.290 nan 0.000 0.547 415 L N 0.062 121.306 121.223 0.034 0.000 2.478 415 L HA 0.082 4.422 4.340 -0.000 0.000 0.223 415 L C 2.073 178.908 176.870 -0.059 0.000 1.140 415 L CA 0.030 54.863 54.840 -0.012 0.000 0.842 415 L CB 0.189 42.232 42.059 -0.026 0.000 0.953 415 L HN 0.123 nan 8.230 nan 0.000 0.452 416 V N -2.687 117.172 119.914 -0.091 0.000 3.219 416 V HA 0.071 4.191 4.120 -0.000 0.000 0.240 416 V C 1.248 177.329 176.094 -0.023 0.000 1.222 416 V CA 0.360 62.523 62.300 -0.227 0.000 1.181 416 V CB 0.459 31.814 31.823 -0.780 0.000 0.941 416 V HN 0.391 nan 8.190 nan 0.000 0.471 417 S N 0.590 116.405 115.700 0.192 0.000 2.579 417 S HA 0.084 4.554 4.470 -0.000 0.000 0.275 417 S C 1.073 175.767 174.600 0.158 0.000 1.345 417 S CA 0.277 58.658 58.200 0.303 0.000 1.031 417 S CB 1.287 64.669 63.200 0.303 0.000 0.892 417 S HN 0.525 nan 8.310 nan 0.000 0.529 418 E N 1.807 122.092 120.200 0.143 0.000 2.085 418 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 418 E C -0.064 176.578 176.600 0.071 0.000 0.994 418 E CA 0.989 57.442 56.400 0.088 0.000 0.801 418 E CB 0.028 29.773 29.700 0.075 0.000 0.743 418 E HN 0.684 nan 8.360 nan 0.000 0.453 419 N N 1.032 119.779 118.700 0.079 0.000 2.417 419 N HA 0.281 5.021 4.740 -0.000 0.000 0.300 419 N C -2.627 172.929 175.510 0.075 0.000 1.102 419 N CA -1.673 51.415 53.050 0.064 0.000 0.886 419 N CB 1.386 39.905 38.487 0.054 0.000 1.203 419 N HN -0.046 nan 8.380 nan 0.000 0.496 420 P HA 0.056 nan 4.420 nan 0.000 0.269 420 P C -0.507 176.841 177.300 0.079 0.000 1.217 420 P CA -0.100 63.039 63.100 0.065 0.000 0.783 420 P CB 0.689 32.417 31.700 0.046 0.000 0.898 421 V N 2.382 122.354 119.914 0.097 0.000 2.495 421 V HA 0.404 4.524 4.120 -0.000 0.000 0.298 421 V C 0.105 176.254 176.094 0.090 0.000 1.031 421 V CA -0.178 62.192 62.300 0.117 0.000 0.871 421 V CB 1.914 33.855 31.823 0.195 0.000 0.988 421 V HN 0.492 nan 8.190 nan 0.000 0.432 422 T N 4.127 118.716 114.554 0.059 0.000 2.829 422 T HA 0.632 4.982 4.350 -0.000 0.000 0.280 422 T C -0.414 174.294 174.700 0.014 0.000 0.999 422 T CA -0.438 61.682 62.100 0.034 0.000 0.983 422 T CB 1.712 70.586 68.868 0.011 0.000 0.968 422 T HN 0.696 nan 8.240 nan 0.000 0.446 423 V N 0.614 120.537 119.914 0.015 0.000 2.667 423 V HA 0.542 4.662 4.120 -0.000 0.000 0.308 423 V C 0.799 176.876 176.094 -0.029 0.000 1.048 423 V CA -0.937 61.356 62.300 -0.010 0.000 0.928 423 V CB 1.686 33.521 31.823 0.021 0.000 1.004 423 V HN 0.832 nan 8.190 nan 0.000 0.444 424 D N 0.757 121.123 120.400 -0.056 0.000 2.348 424 D HA 0.046 4.686 4.640 -0.000 0.000 0.216 424 D C 0.142 176.417 176.300 -0.042 0.000 0.970 424 D CA 0.932 54.899 54.000 -0.055 0.000 0.889 424 D CB 0.101 40.851 40.800 -0.084 0.000 0.912 424 D HN 0.764 nan 8.370 nan 0.000 0.524 425 D N -1.735 118.644 120.400 -0.035 0.000 2.937 425 D HA 0.521 5.161 4.640 -0.000 0.000 0.215 425 D C -0.683 175.604 176.300 -0.023 0.000 1.274 425 D CA -0.499 53.486 54.000 -0.025 0.000 0.869 425 D CB 1.619 42.403 40.800 -0.027 0.000 1.675 425 D HN -0.099 nan 8.370 nan 0.000 0.538 426 A N 2.108 124.917 122.820 -0.019 0.000 2.431 426 A HA 0.156 4.476 4.320 -0.000 0.000 0.239 426 A C 1.649 179.220 177.584 -0.021 0.000 1.230 426 A CA 0.818 52.838 52.037 -0.029 0.000 0.928 426 A CB -0.225 18.768 19.000 -0.012 0.000 1.006 426 A HN 0.602 nan 8.150 nan 0.000 0.520 427 T N -2.468 112.080 114.554 -0.010 0.000 2.962 427 T HA -0.091 4.259 4.350 -0.000 0.000 0.270 427 T C 1.538 176.237 174.700 -0.003 0.000 1.088 427 T CA 1.294 63.392 62.100 -0.003 0.000 1.127 427 T CB -0.391 68.476 68.868 -0.001 0.000 0.883 427 T HN 0.174 nan 8.240 nan 0.000 0.493 428 M N 0.268 119.869 119.600 0.001 0.000 2.556 428 M HA 0.395 4.875 4.480 -0.000 0.000 0.245 428 M C 1.951 178.257 176.300 0.011 0.000 1.128 428 M CA -0.057 55.246 55.300 0.005 0.000 1.069 428 M CB -0.905 31.716 32.600 0.035 0.000 1.469 428 M HN 0.340 nan 8.290 nan 0.000 0.494 429 I N 0.616 121.188 120.570 0.003 0.000 2.335 429 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 429 I C 2.290 178.431 176.117 0.040 0.000 1.129 429 I CA 1.121 62.418 61.300 -0.006 0.000 1.402 429 I CB -0.429 37.467 38.000 -0.172 0.000 1.069 429 I HN 0.221 nan 8.210 nan 0.000 0.424 430 A N 0.669 123.501 122.820 0.021 0.000 2.216 430 A HA -0.149 4.171 4.320 -0.000 0.000 0.214 430 A C 2.307 179.893 177.584 0.003 0.000 1.160 430 A CA 1.680 53.741 52.037 0.040 0.000 0.725 430 A CB -1.007 18.012 19.000 0.033 0.000 0.784 430 A HN 0.562 nan 8.150 nan 0.000 0.472 431 T N -2.332 112.175 114.554 -0.077 0.000 2.833 431 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 431 T C 1.619 176.242 174.700 -0.127 0.000 1.054 431 T CA 1.957 63.969 62.100 -0.145 0.000 1.135 431 T CB -0.351 68.338 68.868 -0.298 0.000 0.869 431 T HN 0.856 nan 8.240 nan 0.000 0.466 432 S N -1.099 114.564 115.700 -0.063 0.000 2.744 432 S HA 0.373 4.843 4.470 -0.000 0.000 0.265 432 S C 0.076 174.803 174.600 0.211 0.000 1.065 432 S CA -0.890 57.347 58.200 0.063 0.000 1.191 432 S CB -0.136 63.171 63.200 0.178 0.000 1.150 432 S HN 0.537 nan 8.310 nan 0.000 0.646 433 F N 2.781 122.776 119.950 0.075 0.000 2.706 433 F HA 0.369 4.896 4.527 -0.000 0.000 0.365 433 F C -2.434 173.434 175.800 0.114 0.000 1.469 433 F CA -2.018 56.051 58.000 0.115 0.000 1.110 433 F CB 1.588 40.683 39.000 0.159 0.000 1.893 433 F HN -0.010 nan 8.300 nan 0.000 0.573 434 P HA -0.162 nan 4.420 nan 0.000 0.222 434 P C 0.629 178.036 177.300 0.179 0.000 1.147 434 P CA 1.357 64.567 63.100 0.183 0.000 0.790 434 P CB 0.284 32.061 31.700 0.129 0.000 0.780 435 E N -1.415 118.968 120.200 0.305 0.000 2.482 435 E HA -0.036 4.314 4.350 -0.000 0.000 0.196 435 E C 1.497 178.109 176.600 0.021 0.000 1.047 435 E CA 0.068 56.604 56.400 0.227 0.000 0.869 435 E CB -1.007 28.903 29.700 0.349 0.000 0.836 435 E HN 0.181 nan 8.360 nan 0.000 0.520 436 F N 1.256 120.890 119.950 -0.526 0.000 2.045 436 F HA -0.362 4.165 4.527 -0.000 0.000 0.297 436 F C 1.872 177.415 175.800 -0.429 0.000 1.114 436 F CA 1.704 59.095 58.000 -1.015 0.000 1.207 436 F CB -0.078 38.265 39.000 -1.094 0.000 0.964 436 F HN 0.026 nan 8.300 nan 0.000 0.486 437 M N 0.191 119.688 119.600 -0.171 0.000 2.065 437 M HA -0.224 4.256 4.480 -0.000 0.000 0.259 437 M C 1.948 178.124 176.300 -0.207 0.000 1.069 437 M CA 1.771 56.958 55.300 -0.189 0.000 1.110 437 M CB -1.492 31.095 32.600 -0.021 0.000 1.328 437 M HN 0.170 nan 8.290 nan 0.000 0.405 438 D N 0.392 120.721 120.400 -0.119 0.000 2.097 438 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 438 D C 2.180 178.418 176.300 -0.103 0.000 0.989 438 D CA 0.888 54.840 54.000 -0.080 0.000 0.827 438 D CB -0.421 40.366 40.800 -0.022 0.000 0.966 438 D HN 0.305 nan 8.370 nan 0.000 0.456 439 L N 0.116 121.268 121.223 -0.118 0.000 2.012 439 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 439 L C 2.224 178.995 176.870 -0.166 0.000 1.073 439 L CA 1.162 55.951 54.840 -0.084 0.000 0.748 439 L CB -0.079 41.993 42.059 0.022 0.000 0.891 439 L HN -0.047 nan 8.230 nan 0.000 0.431 440 M N -0.570 118.819 119.600 -0.352 0.000 2.175 440 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 440 M C 2.499 178.672 176.300 -0.211 0.000 1.063 440 M CA 1.697 56.786 55.300 -0.353 0.000 1.119 440 M CB -1.551 30.663 32.600 -0.644 0.000 1.377 440 M HN 0.442 nan 8.290 nan 0.000 0.415 441 A N 0.355 123.062 122.820 -0.188 0.000 1.933 441 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 441 A C 2.433 179.969 177.584 -0.080 0.000 1.175 441 A CA 1.882 53.851 52.037 -0.114 0.000 0.628 441 A CB -1.415 17.530 19.000 -0.092 0.000 0.814 441 A HN 0.514 nan 8.150 nan 0.000 0.444 442 G N -0.252 108.503 108.800 -0.075 0.000 2.432 442 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.219 442 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.219 442 G C 1.394 176.268 174.900 -0.042 0.000 1.135 442 G CA 0.973 46.045 45.100 -0.047 0.000 0.767 442 G HN 0.462 nan 8.290 nan 0.000 0.550 443 L N -0.060 121.130 121.223 -0.055 0.000 2.552 443 L HA 0.252 4.592 4.340 -0.000 0.000 0.227 443 L C 2.074 178.918 176.870 -0.045 0.000 1.146 443 L CA 0.608 55.421 54.840 -0.044 0.000 0.858 443 L CB 0.100 42.131 42.059 -0.048 0.000 0.969 443 L HN 0.412 nan 8.230 nan 0.000 0.451 444 G N -0.620 108.149 108.800 -0.052 0.000 2.192 444 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.193 444 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.193 444 G C 0.367 175.236 174.900 -0.051 0.000 0.999 444 G CA -0.208 44.865 45.100 -0.045 0.000 0.659 444 G HN 0.412 nan 8.290 nan 0.000 0.503 445 A N 0.490 123.268 122.820 -0.071 0.000 2.462 445 A HA 0.573 4.893 4.320 -0.000 0.000 0.243 445 A C 0.410 177.957 177.584 -0.061 0.000 1.076 445 A CA 0.379 52.372 52.037 -0.073 0.000 0.773 445 A CB 0.378 19.310 19.000 -0.114 0.000 1.010 445 A HN 0.152 nan 8.150 nan 0.000 0.493 446 K N 2.620 122.996 120.400 -0.040 0.000 2.347 446 K HA 0.506 4.826 4.320 -0.000 0.000 0.262 446 K C -1.151 175.439 176.600 -0.017 0.000 1.052 446 K CA 0.288 56.559 56.287 -0.027 0.000 0.946 446 K CB 0.738 33.229 32.500 -0.015 0.000 1.220 446 K HN 0.600 nan 8.250 nan 0.000 0.450 447 I N 2.854 123.411 120.570 -0.021 0.000 2.447 447 I HA 0.163 4.333 4.170 -0.000 0.000 0.287 447 I C -0.149 175.969 176.117 0.002 0.000 1.023 447 I CA -0.756 60.544 61.300 0.000 0.000 1.083 447 I CB 1.931 39.932 38.000 0.001 0.000 1.245 447 I HN 0.180 nan 8.210 nan 0.000 0.434 448 E N 6.306 126.513 120.200 0.012 0.000 2.134 448 E HA 0.373 4.723 4.350 -0.000 0.000 0.278 448 E C -0.900 175.708 176.600 0.014 0.000 0.959 448 E CA -0.929 55.477 56.400 0.009 0.000 0.783 448 E CB 2.734 32.439 29.700 0.008 0.000 1.095 448 E HN 0.311 nan 8.360 nan 0.000 0.399 449 L N 2.049 123.279 121.223 0.011 0.000 2.312 449 L HA 0.222 4.562 4.340 -0.000 0.000 0.281 449 L C 0.626 177.500 176.870 0.008 0.000 1.070 449 L CA 0.042 54.889 54.840 0.012 0.000 0.805 449 L CB 1.534 43.601 42.059 0.013 0.000 1.174 449 L HN 0.480 nan 8.230 nan 0.000 0.434 450 S N 0.000 115.704 115.700 0.006 0.000 2.498 450 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 450 S CA 0.000 58.202 58.200 0.003 0.000 1.107 450 S CB 0.000 63.200 63.200 0.001 0.000 0.593 450 S HN 0.000 nan 8.310 nan 0.000 0.517