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 1oqb_1_E DATA FIRST_RESID 18 DATA SEQUENCE FMPPREVHVQ VTHSMPPQKI EIFKSLDNWA EENILVHLKP VEKCWQPQDF DATA SEQUENCE LPDPASDGFD EQVRELRERA KEIPDDYFVV LVGDMITEEA LPTYQTMLNT DATA SEQUENCE LDGVRDETGA SPTSWAIWTR AWTAEENRHG DLLNKYLYLS GRVDMRQIEK DATA SEQUENCE TIQYLIGSGM DPRTENSPYL GFIYTSFQER ATFISHGNTA RQAKEHGDIK DATA SEQUENCE LAQICGTIAA DEKRHETAYT KIVEKLFEID PDGTVLAFAD MMRKKISMPA DATA SEQUENCE HLMYDGRDDN LFDHFSAVAQ RLGVYTAKDY ADILEFLVGR WKVDKLTGLS DATA SEQUENCE AEGQKAQDYV CRLPPRIRRL EERAQGRAKE APTMPFSWIF DRQVKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 18 F HA 0.000 nan 4.527 nan 0.000 0.279 18 F C 0.000 175.891 175.800 0.152 0.000 0.967 18 F CA 0.000 58.112 58.000 0.187 0.000 1.383 18 F CB 0.000 39.151 39.000 0.251 0.000 1.145 19 M N 4.071 123.725 119.600 0.090 0.000 2.238 19 M HA 0.239 4.721 4.480 0.003 0.000 0.350 19 M C -2.099 173.934 176.300 -0.446 0.000 1.321 19 M CA -0.971 54.294 55.300 -0.059 0.000 1.097 19 M CB 0.752 33.312 32.600 -0.067 0.000 1.713 19 M HN -0.100 nan 8.290 nan 0.000 0.455 20 P HA 0.402 nan 4.420 nan 0.000 0.276 20 P C -2.775 174.248 177.300 -0.463 0.000 1.261 20 P CA -1.221 61.389 63.100 -0.816 0.000 0.800 20 P CB -0.882 30.634 31.700 -0.306 0.000 1.066 21 P HA 0.278 nan 4.420 nan 0.000 0.271 21 P C -0.111 177.077 177.300 -0.187 0.000 1.218 21 P CA 0.131 63.086 63.100 -0.243 0.000 0.780 21 P CB 0.583 32.166 31.700 -0.194 0.000 0.901 22 R N 1.194 121.603 120.500 -0.151 0.000 2.787 22 R HA 0.306 4.648 4.340 0.003 0.000 0.271 22 R C 0.014 176.246 176.300 -0.114 0.000 0.993 22 R CA -0.950 55.079 56.100 -0.119 0.000 0.993 22 R CB 1.062 31.308 30.300 -0.090 0.000 1.155 22 R HN 0.453 nan 8.270 nan 0.000 0.486 23 E N 1.751 121.902 120.200 -0.081 0.000 2.465 23 E HA -0.034 4.319 4.350 0.003 0.000 0.260 23 E C 0.817 177.380 176.600 -0.062 0.000 0.980 23 E CA 0.251 56.636 56.400 -0.026 0.000 0.927 23 E CB 1.056 30.769 29.700 0.022 0.000 0.934 23 E HN 0.471 nan 8.360 nan 0.000 0.459 24 V N 0.602 120.438 119.914 -0.131 0.000 3.621 24 V HA 0.141 4.263 4.120 0.003 0.000 0.285 24 V C 0.262 176.153 176.094 -0.337 0.000 1.346 24 V CA 0.177 62.322 62.300 -0.259 0.000 1.104 24 V CB -0.488 31.147 31.823 -0.314 0.000 0.913 24 V HN 0.448 nan 8.190 nan 0.000 0.432 25 H N 0.818 119.882 119.070 -0.011 0.000 2.472 25 H HA 0.624 5.183 4.556 0.004 0.000 0.338 25 H C 0.085 175.396 175.328 -0.029 0.000 1.133 25 H CA -0.309 55.727 56.048 -0.020 0.000 1.216 25 H CB 1.862 31.611 29.762 -0.021 0.000 1.497 25 H HN 0.259 nan 8.280 nan 0.000 0.500 26 V N 1.494 121.462 119.914 0.090 0.000 2.681 26 V HA -0.067 4.055 4.120 0.003 0.000 0.306 26 V C 0.051 176.158 176.094 0.021 0.000 1.077 26 V CA -0.190 62.129 62.300 0.033 0.000 1.224 26 V CB 0.216 32.048 31.823 0.016 0.000 0.879 26 V HN 0.725 nan 8.190 nan 0.000 0.494 27 Q N 3.851 123.648 119.800 -0.004 0.000 2.314 27 Q HA 0.480 4.822 4.340 0.003 0.000 0.257 27 Q C -0.689 175.283 176.000 -0.047 0.000 0.975 27 Q CA -0.477 55.309 55.803 -0.029 0.000 0.933 27 Q CB 1.745 30.463 28.738 -0.034 0.000 1.195 27 Q HN 0.822 nan 8.270 nan 0.000 0.426 28 V N 2.601 122.474 119.914 -0.067 0.000 2.435 28 V HA 0.403 4.526 4.120 0.003 0.000 0.290 28 V C 0.418 176.439 176.094 -0.122 0.000 1.030 28 V CA -0.669 61.584 62.300 -0.078 0.000 0.881 28 V CB 1.459 33.238 31.823 -0.074 0.000 0.983 28 V HN 0.838 nan 8.190 nan 0.000 0.445 29 T N 0.474 114.955 114.554 -0.123 0.000 2.885 29 T HA 0.497 4.849 4.350 0.003 0.000 0.285 29 T C -0.106 174.500 174.700 -0.157 0.000 1.019 29 T CA -0.471 61.485 62.100 -0.241 0.000 1.010 29 T CB 0.981 69.700 68.868 -0.248 0.000 1.022 29 T HN 0.845 nan 8.240 nan 0.000 0.466 30 H N 0.809 119.832 119.070 -0.078 0.000 2.680 30 H HA -0.143 4.415 4.556 0.003 0.000 0.328 30 H C 0.940 176.223 175.328 -0.074 0.000 1.139 30 H CA 0.882 56.885 56.048 -0.076 0.000 1.124 30 H CB -1.767 27.958 29.762 -0.062 0.000 1.584 30 H HN 0.921 nan 8.280 nan 0.000 0.410 31 S N -0.600 115.084 115.700 -0.026 0.000 2.557 31 S HA 0.180 4.652 4.470 0.003 0.000 0.223 31 S C 0.786 175.348 174.600 -0.064 0.000 0.969 31 S CA -0.469 57.703 58.200 -0.047 0.000 0.927 31 S CB 0.573 63.727 63.200 -0.077 0.000 0.806 31 S HN 0.425 nan 8.310 nan 0.000 0.489 32 M N 2.658 122.228 119.600 -0.050 0.000 2.300 32 M HA 0.491 4.973 4.480 0.003 0.000 0.348 32 M C -2.868 173.408 176.300 -0.039 0.000 1.151 32 M CA -2.023 53.235 55.300 -0.071 0.000 1.046 32 M CB 1.285 33.855 32.600 -0.050 0.000 1.647 32 M HN -0.107 nan 8.290 nan 0.000 0.451 33 P HA 0.102 nan 4.420 nan 0.000 0.261 33 P C -2.336 174.960 177.300 -0.005 0.000 1.183 33 P CA -0.622 62.459 63.100 -0.033 0.000 0.761 33 P CB -0.053 31.621 31.700 -0.045 0.000 0.785 34 P HA -0.182 nan 4.420 nan 0.000 0.218 34 P C 1.025 178.335 177.300 0.017 0.000 1.149 34 P CA 1.283 64.383 63.100 -0.001 0.000 0.817 34 P CB -0.236 31.451 31.700 -0.021 0.000 0.785 35 Q N -0.297 119.510 119.800 0.012 0.000 2.585 35 Q HA -0.125 4.217 4.340 0.003 0.000 0.219 35 Q C 1.502 177.526 176.000 0.039 0.000 0.984 35 Q CA 1.261 57.075 55.803 0.018 0.000 0.915 35 Q CB -0.697 28.044 28.738 0.005 0.000 0.967 35 Q HN 0.234 nan 8.270 nan 0.000 0.530 36 K N -0.247 120.192 120.400 0.065 0.000 2.358 36 K HA 0.251 4.574 4.320 0.003 0.000 0.200 36 K C 1.151 177.872 176.600 0.201 0.000 1.030 36 K CA -0.129 56.229 56.287 0.119 0.000 1.097 36 K CB 0.377 32.966 32.500 0.147 0.000 0.862 36 K HN 0.146 nan 8.250 nan 0.000 0.534 37 I N 1.066 121.729 120.570 0.155 0.000 2.286 37 I HA -0.250 3.922 4.170 0.003 0.000 0.248 37 I C 1.783 178.016 176.117 0.194 0.000 1.115 37 I CA 1.078 62.487 61.300 0.180 0.000 1.392 37 I CB 0.115 38.167 38.000 0.085 0.000 1.065 37 I HN 0.119 nan 8.210 nan 0.000 0.418 38 E N 0.537 120.810 120.200 0.121 0.000 2.130 38 E HA -0.262 4.090 4.350 0.003 0.000 0.196 38 E C 2.032 178.680 176.600 0.079 0.000 0.998 38 E CA 1.373 57.830 56.400 0.094 0.000 0.806 38 E CB -0.585 29.149 29.700 0.056 0.000 0.738 38 E HN 0.635 nan 8.360 nan 0.000 0.459 39 I N -1.103 119.483 120.570 0.027 0.000 2.361 39 I HA -0.233 3.939 4.170 0.003 0.000 0.251 39 I C 1.789 177.795 176.117 -0.185 0.000 1.133 39 I CA 1.481 62.707 61.300 -0.124 0.000 1.413 39 I CB -0.212 37.646 38.000 -0.237 0.000 1.073 39 I HN -0.075 nan 8.210 nan 0.000 0.424 40 F N 0.981 120.967 119.950 0.061 0.000 2.367 40 F HA 0.100 4.630 4.527 0.004 0.000 0.298 40 F C 2.359 178.385 175.800 0.375 0.000 1.094 40 F CA 1.050 59.134 58.000 0.141 0.000 1.409 40 F CB -0.450 38.454 39.000 -0.161 0.000 1.064 40 F HN -0.066 nan 8.300 nan 0.000 0.528 41 K N -0.280 120.344 120.400 0.372 0.000 2.103 41 K HA -0.068 4.254 4.320 0.003 0.000 0.204 41 K C 2.182 178.922 176.600 0.232 0.000 1.052 41 K CA 1.323 57.796 56.287 0.309 0.000 0.945 41 K CB -0.238 32.382 32.500 0.200 0.000 0.722 41 K HN 0.091 nan 8.250 nan 0.000 0.443 42 S N 1.513 117.310 115.700 0.161 0.000 2.368 42 S HA -0.031 4.441 4.470 0.003 0.000 0.224 42 S C 1.686 176.360 174.600 0.124 0.000 1.029 42 S CA 0.812 59.072 58.200 0.101 0.000 0.988 42 S CB -0.069 63.153 63.200 0.037 0.000 0.838 42 S HN 0.230 nan 8.310 nan 0.000 0.462 43 L N 1.426 122.753 121.223 0.173 0.000 2.622 43 L HA -0.066 4.276 4.340 0.003 0.000 0.233 43 L C 1.886 178.915 176.870 0.265 0.000 1.156 43 L CA 0.458 55.433 54.840 0.225 0.000 0.866 43 L CB -0.492 41.711 42.059 0.240 0.000 0.980 43 L HN 0.317 nan 8.230 nan 0.000 0.448 44 D N 0.596 121.115 120.400 0.199 0.000 2.087 44 D HA -0.273 4.369 4.640 0.003 0.000 0.192 44 D C 1.891 178.128 176.300 -0.105 0.000 0.993 44 D CA 1.762 55.746 54.000 -0.026 0.000 0.828 44 D CB 0.169 41.005 40.800 0.060 0.000 0.968 44 D HN 0.134 nan 8.370 nan 0.000 0.448 45 N N -1.014 117.682 118.700 -0.007 0.000 2.166 45 N HA -0.154 4.588 4.740 0.003 0.000 0.186 45 N C 1.379 176.865 175.510 -0.040 0.000 1.019 45 N CA 1.153 54.182 53.050 -0.034 0.000 0.856 45 N CB -0.333 38.153 38.487 -0.001 0.000 0.993 45 N HN 0.440 nan 8.380 nan 0.000 0.426 46 W N 1.230 122.458 121.300 -0.121 0.000 2.318 46 W HA -0.235 4.427 4.660 0.004 0.000 0.313 46 W C 2.175 178.574 176.519 -0.199 0.000 1.221 46 W CA 2.455 59.726 57.345 -0.123 0.000 1.266 46 W CB -0.557 28.857 29.460 -0.078 0.000 1.150 46 W HN 0.124 nan 8.180 nan 0.000 0.496 47 A N -0.183 122.553 122.820 -0.139 0.000 1.930 47 A HA -0.230 4.092 4.320 0.003 0.000 0.217 47 A C 2.007 179.270 177.584 -0.535 0.000 1.175 47 A CA 1.738 53.467 52.037 -0.515 0.000 0.627 47 A CB -1.010 17.442 19.000 -0.914 0.000 0.815 47 A HN 0.490 nan 8.150 nan 0.000 0.443 48 E N -0.359 119.609 120.200 -0.387 0.000 2.153 48 E HA -0.198 4.154 4.350 0.003 0.000 0.194 48 E C 1.390 177.815 176.600 -0.292 0.000 0.988 48 E CA 1.340 57.572 56.400 -0.280 0.000 0.811 48 E CB -0.012 29.574 29.700 -0.190 0.000 0.746 48 E HN 0.752 nan 8.360 nan 0.000 0.466 49 E N -0.845 119.133 120.200 -0.370 0.000 2.481 49 E HA 0.102 4.454 4.350 0.003 0.000 0.198 49 E C 0.996 177.298 176.600 -0.497 0.000 1.027 49 E CA -0.128 56.055 56.400 -0.362 0.000 0.900 49 E CB 0.476 30.005 29.700 -0.284 0.000 0.993 49 E HN 0.136 nan 8.360 nan 0.000 0.482 50 N N -0.541 117.724 118.700 -0.725 0.000 2.239 50 N HA 0.082 4.824 4.740 0.003 0.000 0.208 50 N C 0.836 175.996 175.510 -0.583 0.000 1.200 50 N CA 0.264 52.835 53.050 -0.797 0.000 0.895 50 N CB 1.067 38.648 38.487 -1.510 0.000 1.085 50 N HN 0.084 nan 8.380 nan 0.000 0.500 51 I N 0.865 121.100 120.570 -0.558 0.000 3.443 51 I HA 0.142 4.314 4.170 0.003 0.000 0.277 51 I C 1.143 177.096 176.117 -0.274 0.000 1.169 51 I CA 0.526 61.544 61.300 -0.469 0.000 1.419 51 I CB -0.711 36.865 38.000 -0.707 0.000 1.331 51 I HN -0.074 nan 8.210 nan 0.000 0.458 52 L N 2.720 123.814 121.223 -0.215 0.000 2.803 52 L HA 0.061 4.403 4.340 0.003 0.000 0.241 52 L C 1.336 178.137 176.870 -0.114 0.000 1.404 52 L CA -0.012 54.790 54.840 -0.062 0.000 1.211 52 L CB -0.682 41.346 42.059 -0.052 0.000 1.585 52 L HN 0.168 nan 8.230 nan 0.000 0.430 53 V N -4.983 114.826 119.914 -0.175 0.000 3.229 53 V HA 0.048 4.170 4.120 0.003 0.000 0.239 53 V C 1.612 177.589 176.094 -0.195 0.000 1.390 53 V CA 0.107 62.270 62.300 -0.228 0.000 1.231 53 V CB -0.287 31.325 31.823 -0.352 0.000 1.025 53 V HN 0.425 nan 8.190 nan 0.000 0.461 54 H N 1.674 120.752 119.070 0.014 0.000 2.567 54 H HA 0.315 4.872 4.556 0.003 0.000 0.281 54 H C 0.444 175.915 175.328 0.239 0.000 1.055 54 H CA 0.552 56.672 56.048 0.119 0.000 1.185 54 H CB -0.409 29.423 29.762 0.117 0.000 1.325 54 H HN 0.310 nan 8.280 nan 0.000 0.622 55 L N 1.720 123.081 121.223 0.230 0.000 2.287 55 L HA 0.188 4.530 4.340 0.003 0.000 0.280 55 L C 0.097 177.020 176.870 0.089 0.000 1.055 55 L CA -0.629 54.322 54.840 0.183 0.000 0.863 55 L CB 0.721 42.877 42.059 0.163 0.000 1.245 55 L HN 0.059 nan 8.230 nan 0.000 0.432 56 K N 4.266 124.721 120.400 0.090 0.000 2.451 56 K HA 0.118 4.441 4.320 0.003 0.000 0.280 56 K C -2.176 174.437 176.600 0.022 0.000 1.020 56 K CA -0.994 55.324 56.287 0.051 0.000 1.008 56 K CB 0.478 33.012 32.500 0.057 0.000 0.917 56 K HN 0.182 nan 8.250 nan 0.000 0.478 57 P HA -0.081 nan 4.420 nan 0.000 0.267 57 P C 0.580 177.868 177.300 -0.020 0.000 1.200 57 P CA -0.261 62.836 63.100 -0.005 0.000 0.772 57 P CB 0.689 32.386 31.700 -0.005 0.000 0.855 58 V N 2.179 122.073 119.914 -0.034 0.000 2.317 58 V HA -0.272 3.850 4.120 0.003 0.000 0.251 58 V C 2.200 178.267 176.094 -0.045 0.000 1.065 58 V CA 1.875 64.141 62.300 -0.056 0.000 1.049 58 V CB -0.902 30.885 31.823 -0.059 0.000 0.651 58 V HN 0.627 nan 8.190 nan 0.000 0.450 59 E N -0.101 120.083 120.200 -0.026 0.000 2.130 59 E HA -0.219 4.133 4.350 0.003 0.000 0.196 59 E C 2.206 178.804 176.600 -0.003 0.000 0.998 59 E CA 1.020 57.411 56.400 -0.015 0.000 0.806 59 E CB -0.239 29.455 29.700 -0.010 0.000 0.738 59 E HN 0.481 nan 8.360 nan 0.000 0.459 60 K N 0.146 120.547 120.400 0.001 0.000 2.296 60 K HA 0.021 4.343 4.320 0.003 0.000 0.200 60 K C 0.967 177.588 176.600 0.035 0.000 1.048 60 K CA 0.028 56.329 56.287 0.022 0.000 0.966 60 K CB -0.606 31.910 32.500 0.026 0.000 0.754 60 K HN 0.082 nan 8.250 nan 0.000 0.466 61 C N 3.543 122.836 119.300 -0.012 0.000 2.653 61 C HA 0.084 4.546 4.460 0.003 0.000 0.421 61 C C 1.165 176.146 174.990 -0.014 0.000 1.334 61 C CA -1.509 57.467 59.018 -0.070 0.000 1.885 61 C CB -0.742 26.870 27.740 -0.214 0.000 2.645 61 C HN 0.513 nan 8.230 nan 0.000 0.601 62 W N 3.188 124.533 121.300 0.076 0.000 2.123 62 W HA 0.396 5.057 4.660 0.003 0.000 0.351 62 W C -0.392 176.196 176.519 0.114 0.000 1.292 62 W CA -0.145 57.267 57.345 0.111 0.000 1.263 62 W CB 0.128 29.732 29.460 0.240 0.000 1.165 62 W HN 0.452 nan 8.180 nan 0.000 0.590 63 Q N 1.031 121.086 119.800 0.425 0.000 2.433 63 Q HA 0.269 4.611 4.340 0.003 0.000 0.279 63 Q C -1.696 174.667 176.000 0.606 0.000 1.105 63 Q CA -2.299 53.661 55.803 0.261 0.000 0.815 63 Q CB 1.699 30.499 28.738 0.103 0.000 1.403 63 Q HN 0.076 nan 8.270 nan 0.000 0.435 64 P HA -0.208 nan 4.420 nan 0.000 0.216 64 P C 1.097 178.635 177.300 0.398 0.000 1.150 64 P CA 1.440 64.849 63.100 0.516 0.000 0.843 64 P CB 0.515 32.399 31.700 0.307 0.000 0.787 65 Q N 0.133 120.086 119.800 0.255 0.000 2.226 65 Q HA -0.183 4.159 4.340 0.003 0.000 0.204 65 Q C 1.361 177.439 176.000 0.129 0.000 0.975 65 Q CA 1.639 57.543 55.803 0.169 0.000 0.866 65 Q CB -1.238 27.561 28.738 0.101 0.000 0.915 65 Q HN 0.197 nan 8.270 nan 0.000 0.440 66 D N -0.949 119.517 120.400 0.109 0.000 2.221 66 D HA -0.148 4.494 4.640 0.003 0.000 0.204 66 D C 0.477 176.562 176.300 -0.358 0.000 0.982 66 D CA 0.978 54.878 54.000 -0.167 0.000 0.857 66 D CB -0.067 40.550 40.800 -0.305 0.000 0.934 66 D HN 0.385 nan 8.370 nan 0.000 0.475 67 F N -0.421 119.573 119.950 0.073 0.000 2.682 67 F HA 0.292 4.821 4.527 0.003 0.000 0.308 67 F C 0.697 176.547 175.800 0.085 0.000 1.093 67 F CA -0.210 57.810 58.000 0.034 0.000 1.244 67 F CB 0.457 39.434 39.000 -0.038 0.000 1.052 67 F HN -0.254 nan 8.300 nan 0.000 0.573 68 L N -0.037 121.333 121.223 0.245 0.000 2.319 68 L HA 0.536 4.878 4.340 0.003 0.000 0.267 68 L C -2.289 174.700 176.870 0.199 0.000 1.011 68 L CA -2.408 52.575 54.840 0.237 0.000 0.818 68 L CB 1.107 43.313 42.059 0.246 0.000 1.316 68 L HN -0.315 nan 8.230 nan 0.000 0.432 69 P HA -0.121 nan 4.420 nan 0.000 0.264 69 P C -1.090 176.394 177.300 0.306 0.000 1.173 69 P CA 0.212 63.474 63.100 0.272 0.000 0.761 69 P CB 0.298 32.179 31.700 0.302 0.000 0.794 70 D N 4.379 124.935 120.400 0.260 0.000 2.411 70 D HA 0.103 4.745 4.640 0.003 0.000 0.225 70 D C -1.442 174.889 176.300 0.050 0.000 1.156 70 D CA -2.349 51.729 54.000 0.131 0.000 0.874 70 D CB 0.564 41.416 40.800 0.087 0.000 1.034 70 D HN 0.166 nan 8.370 nan 0.000 0.502 71 P HA -0.027 nan 4.420 nan 0.000 0.226 71 P C 0.484 177.557 177.300 -0.379 0.000 1.153 71 P CA 0.399 63.060 63.100 -0.731 0.000 0.777 71 P CB 0.302 31.628 31.700 -0.624 0.000 0.794 72 A N -1.024 121.698 122.820 -0.163 0.000 2.507 72 A HA 0.343 4.665 4.320 0.003 0.000 0.270 72 A C 0.852 178.419 177.584 -0.029 0.000 1.318 72 A CA -0.074 51.909 52.037 -0.089 0.000 0.924 72 A CB -0.400 18.560 19.000 -0.066 0.000 1.061 72 A HN 0.179 nan 8.150 nan 0.000 0.516 73 S N -1.028 114.676 115.700 0.005 0.000 2.568 73 S HA 0.363 4.835 4.470 0.003 0.000 0.302 73 S C 0.242 174.891 174.600 0.081 0.000 1.082 73 S CA -0.545 57.683 58.200 0.047 0.000 1.009 73 S CB 1.000 64.242 63.200 0.069 0.000 1.069 73 S HN 0.314 nan 8.310 nan 0.000 0.500 74 D N 2.907 123.346 120.400 0.065 0.000 2.218 74 D HA -0.012 4.630 4.640 0.003 0.000 0.204 74 D C 1.845 178.202 176.300 0.095 0.000 0.976 74 D CA 1.206 55.249 54.000 0.073 0.000 0.853 74 D CB -0.503 40.325 40.800 0.046 0.000 0.939 74 D HN 0.755 nan 8.370 nan 0.000 0.481 75 G N 0.302 109.159 108.800 0.095 0.000 2.470 75 G HA2 -0.273 3.689 3.960 0.003 0.000 0.220 75 G HA3 -0.273 3.689 3.960 0.003 0.000 0.220 75 G C 1.344 176.325 174.900 0.136 0.000 1.121 75 G CA 0.037 45.193 45.100 0.093 0.000 0.766 75 G HN 0.167 nan 8.290 nan 0.000 0.553 76 F N 2.554 122.516 119.950 0.021 0.000 2.048 76 F HA -0.254 4.275 4.527 0.003 0.000 0.296 76 F C 2.157 177.973 175.800 0.027 0.000 1.109 76 F CA 2.164 60.180 58.000 0.027 0.000 1.214 76 F CB -0.486 38.531 39.000 0.028 0.000 0.963 76 F HN 0.156 nan 8.300 nan 0.000 0.491 77 D N 0.167 120.498 120.400 -0.115 0.000 2.108 77 D HA -0.263 4.379 4.640 0.003 0.000 0.190 77 D C 2.201 178.398 176.300 -0.171 0.000 0.995 77 D CA 2.111 55.983 54.000 -0.214 0.000 0.834 77 D CB -0.875 39.892 40.800 -0.055 0.000 0.967 77 D HN 0.712 nan 8.370 nan 0.000 0.446 78 E N 0.535 120.691 120.200 -0.072 0.000 2.265 78 E HA -0.211 4.141 4.350 0.003 0.000 0.196 78 E C 1.837 178.402 176.600 -0.058 0.000 0.996 78 E CA 0.908 57.277 56.400 -0.051 0.000 0.832 78 E CB -0.265 29.425 29.700 -0.017 0.000 0.756 78 E HN 0.399 nan 8.360 nan 0.000 0.491 79 Q N 0.693 120.449 119.800 -0.073 0.000 2.089 79 Q HA -0.042 4.300 4.340 0.003 0.000 0.195 79 Q C 2.484 178.428 176.000 -0.094 0.000 0.963 79 Q CA 1.270 57.046 55.803 -0.045 0.000 0.834 79 Q CB 0.123 28.869 28.738 0.013 0.000 0.906 79 Q HN 0.183 nan 8.270 nan 0.000 0.452 80 V N 1.230 120.999 119.914 -0.240 0.000 2.287 80 V HA -0.306 3.816 4.120 0.003 0.000 0.248 80 V C 2.354 178.353 176.094 -0.158 0.000 1.053 80 V CA 2.088 64.234 62.300 -0.258 0.000 1.027 80 V CB -0.584 30.938 31.823 -0.501 0.000 0.646 80 V HN 0.303 nan 8.190 nan 0.000 0.447 81 R N -0.029 120.381 120.500 -0.149 0.000 2.080 81 R HA -0.235 4.107 4.340 0.003 0.000 0.236 81 R C 2.364 178.630 176.300 -0.056 0.000 1.137 81 R CA 2.272 58.316 56.100 -0.094 0.000 0.943 81 R CB -0.291 29.961 30.300 -0.079 0.000 0.846 81 R HN 0.610 nan 8.270 nan 0.000 0.431 82 E N 0.387 120.564 120.200 -0.039 0.000 2.085 82 E HA -0.240 4.112 4.350 0.003 0.000 0.194 82 E C 2.064 178.671 176.600 0.012 0.000 0.994 82 E CA 1.426 57.821 56.400 -0.009 0.000 0.801 82 E CB -0.188 29.513 29.700 0.001 0.000 0.743 82 E HN 0.337 nan 8.360 nan 0.000 0.453 83 L N 0.857 122.089 121.223 0.015 0.000 2.013 83 L HA -0.299 4.043 4.340 0.003 0.000 0.212 83 L C 2.387 179.279 176.870 0.036 0.000 1.073 83 L CA 1.649 56.523 54.840 0.055 0.000 0.753 83 L CB -0.053 42.031 42.059 0.041 0.000 0.890 83 L HN 0.068 nan 8.230 nan 0.000 0.432 84 R N -0.710 119.777 120.500 -0.021 0.000 2.062 84 R HA -0.165 4.177 4.340 0.003 0.000 0.229 84 R C 2.167 178.463 176.300 -0.007 0.000 1.128 84 R CA 1.331 57.409 56.100 -0.037 0.000 0.960 84 R CB -0.389 29.865 30.300 -0.077 0.000 0.855 84 R HN 0.306 nan 8.270 nan 0.000 0.432 85 E N 0.757 120.951 120.200 -0.009 0.000 2.114 85 E HA -0.236 4.116 4.350 0.003 0.000 0.199 85 E C 2.000 178.614 176.600 0.024 0.000 1.008 85 E CA 1.631 58.031 56.400 0.001 0.000 0.810 85 E CB 0.068 29.766 29.700 -0.004 0.000 0.739 85 E HN 0.076 nan 8.360 nan 0.000 0.456 86 R N -0.751 119.774 120.500 0.042 0.000 2.090 86 R HA 0.061 4.403 4.340 0.003 0.000 0.228 86 R C 2.050 178.407 176.300 0.095 0.000 1.110 86 R CA 1.153 57.290 56.100 0.061 0.000 0.973 86 R CB -0.258 30.085 30.300 0.072 0.000 0.869 86 R HN 0.198 nan 8.270 nan 0.000 0.440 87 A N 0.657 123.561 122.820 0.140 0.000 2.121 87 A HA -0.115 4.207 4.320 0.003 0.000 0.218 87 A C 1.604 179.320 177.584 0.219 0.000 1.154 87 A CA 1.060 53.253 52.037 0.260 0.000 0.679 87 A CB -0.227 18.942 19.000 0.282 0.000 0.795 87 A HN 0.177 nan 8.150 nan 0.000 0.458 88 K N -0.147 120.313 120.400 0.099 0.000 2.097 88 K HA -0.089 4.234 4.320 0.003 0.000 0.205 88 K C 0.968 177.600 176.600 0.053 0.000 1.050 88 K CA 1.101 57.425 56.287 0.060 0.000 0.938 88 K CB -0.045 32.468 32.500 0.020 0.000 0.718 88 K HN 0.315 nan 8.250 nan 0.000 0.442 89 E N 0.526 120.748 120.200 0.037 0.000 2.512 89 E HA 0.039 4.391 4.350 0.003 0.000 0.195 89 E C 0.162 176.717 176.600 -0.076 0.000 1.083 89 E CA 0.407 56.805 56.400 -0.003 0.000 0.873 89 E CB -0.143 29.562 29.700 0.009 0.000 0.897 89 E HN 0.313 nan 8.360 nan 0.000 0.514 90 I N 3.286 123.832 120.570 -0.039 0.000 2.339 90 I HA 0.168 4.340 4.170 0.003 0.000 0.290 90 I C -2.140 173.955 176.117 -0.037 0.000 0.994 90 I CA -2.387 58.789 61.300 -0.207 0.000 1.191 90 I CB 1.746 39.596 38.000 -0.250 0.000 1.343 90 I HN -0.228 nan 8.210 nan 0.000 0.458 91 P HA 0.052 nan 4.420 nan 0.000 0.272 91 P C -0.202 177.245 177.300 0.246 0.000 1.230 91 P CA -0.123 62.981 63.100 0.008 0.000 0.788 91 P CB 1.125 32.772 31.700 -0.088 0.000 0.949 92 D N 1.035 121.580 120.400 0.242 0.000 2.123 92 D HA -0.184 4.458 4.640 0.003 0.000 0.196 92 D C 1.320 177.777 176.300 0.262 0.000 0.992 92 D CA 1.768 55.947 54.000 0.297 0.000 0.833 92 D CB -0.575 40.338 40.800 0.189 0.000 0.954 92 D HN 0.528 nan 8.370 nan 0.000 0.455 93 D N -0.165 120.335 120.400 0.168 0.000 2.092 93 D HA -0.254 4.388 4.640 0.003 0.000 0.193 93 D C 2.115 178.487 176.300 0.120 0.000 0.994 93 D CA 0.977 55.040 54.000 0.105 0.000 0.828 93 D CB -1.138 39.711 40.800 0.081 0.000 0.963 93 D HN 0.323 nan 8.370 nan 0.000 0.450 94 Y N 0.271 120.586 120.300 0.026 0.000 2.069 94 Y HA -0.302 4.250 4.550 0.003 0.000 0.278 94 Y C 2.068 177.947 175.900 -0.035 0.000 1.175 94 Y CA 1.794 59.873 58.100 -0.035 0.000 1.134 94 Y CB -0.592 37.790 38.460 -0.130 0.000 0.965 94 Y HN -0.070 nan 8.280 nan 0.000 0.498 95 F N -1.017 119.095 119.950 0.270 0.000 2.161 95 F HA -0.244 4.285 4.527 0.004 0.000 0.300 95 F C 2.415 178.263 175.800 0.081 0.000 1.089 95 F CA 1.571 59.688 58.000 0.194 0.000 1.282 95 F CB -0.986 38.139 39.000 0.209 0.000 1.010 95 F HN -0.081 nan 8.300 nan 0.000 0.485 96 V N -0.647 119.416 119.914 0.248 0.000 2.261 96 V HA -0.293 3.829 4.120 0.003 0.000 0.246 96 V C 2.317 178.572 176.094 0.268 0.000 1.047 96 V CA 1.697 64.117 62.300 0.199 0.000 1.015 96 V CB -0.736 30.985 31.823 -0.170 0.000 0.642 96 V HN 0.144 nan 8.190 nan 0.000 0.446 97 V N -0.363 119.642 119.914 0.152 0.000 2.255 97 V HA -0.287 3.835 4.120 0.003 0.000 0.247 97 V C 2.397 178.553 176.094 0.103 0.000 1.051 97 V CA 2.233 64.656 62.300 0.205 0.000 1.018 97 V CB -0.754 30.999 31.823 -0.117 0.000 0.641 97 V HN 0.498 nan 8.190 nan 0.000 0.445 98 L N 0.009 121.129 121.223 -0.172 0.000 2.042 98 L HA -0.151 4.191 4.340 0.003 0.000 0.210 98 L C 2.362 179.210 176.870 -0.037 0.000 1.076 98 L CA 1.882 56.632 54.840 -0.149 0.000 0.749 98 L CB -0.569 41.382 42.059 -0.180 0.000 0.893 98 L HN 0.152 nan 8.230 nan 0.000 0.432 99 V N -0.284 119.608 119.914 -0.037 0.000 2.343 99 V HA -0.197 3.925 4.120 0.003 0.000 0.247 99 V C 2.576 178.327 176.094 -0.571 0.000 1.051 99 V CA 1.717 63.861 62.300 -0.260 0.000 1.036 99 V CB -1.530 30.094 31.823 -0.332 0.000 0.654 99 V HN 0.626 nan 8.190 nan 0.000 0.451 100 G N -0.477 107.957 108.800 -0.610 0.000 2.418 100 G HA2 -0.252 3.710 3.960 0.003 0.000 0.217 100 G HA3 -0.252 3.710 3.960 0.003 0.000 0.217 100 G C 1.219 175.790 174.900 -0.549 0.000 1.158 100 G CA 1.025 45.457 45.100 -1.113 0.000 0.771 100 G HN 0.483 nan 8.290 nan 0.000 0.545 101 D N 0.024 120.351 120.400 -0.121 0.000 2.106 101 D HA -0.150 4.492 4.640 0.003 0.000 0.191 101 D C 2.325 178.638 176.300 0.022 0.000 0.997 101 D CA 0.884 54.907 54.000 0.037 0.000 0.834 101 D CB -0.302 40.526 40.800 0.047 0.000 0.956 101 D HN 0.169 nan 8.370 nan 0.000 0.448 102 M N 0.156 119.738 119.600 -0.031 0.000 2.117 102 M HA -0.147 4.335 4.480 0.003 0.000 0.262 102 M C 2.043 178.313 176.300 -0.051 0.000 1.065 102 M CA 1.210 56.503 55.300 -0.012 0.000 1.114 102 M CB -0.436 32.151 32.600 -0.022 0.000 1.361 102 M HN 0.028 nan 8.290 nan 0.000 0.408 103 I N 0.155 120.623 120.570 -0.171 0.000 2.142 103 I HA -0.309 3.863 4.170 0.003 0.000 0.240 103 I C 2.174 178.288 176.117 -0.005 0.000 1.078 103 I CA 1.814 63.032 61.300 -0.136 0.000 1.343 103 I CB -0.622 37.218 38.000 -0.267 0.000 1.046 103 I HN 0.300 nan 8.210 nan 0.000 0.405 104 T N 0.314 114.882 114.554 0.023 0.000 2.653 104 T HA -0.245 4.107 4.350 0.003 0.000 0.268 104 T C 1.782 176.582 174.700 0.166 0.000 1.035 104 T CA 1.596 63.780 62.100 0.141 0.000 1.154 104 T CB -0.342 68.639 68.868 0.188 0.000 0.862 104 T HN 0.358 nan 8.240 nan 0.000 0.441 105 E N 1.085 121.369 120.200 0.140 0.000 2.085 105 E HA -0.140 4.212 4.350 0.003 0.000 0.194 105 E C 2.305 178.966 176.600 0.101 0.000 0.994 105 E CA 0.978 57.463 56.400 0.143 0.000 0.801 105 E CB -0.234 29.553 29.700 0.146 0.000 0.743 105 E HN 0.595 nan 8.360 nan 0.000 0.453 106 E N 0.222 120.467 120.200 0.074 0.000 2.347 106 E HA -0.032 4.320 4.350 0.003 0.000 0.196 106 E C 1.451 178.096 176.600 0.076 0.000 1.008 106 E CA 0.436 56.869 56.400 0.055 0.000 0.852 106 E CB 0.055 29.773 29.700 0.030 0.000 0.783 106 E HN 0.108 nan 8.360 nan 0.000 0.505 107 A N 1.277 124.165 122.820 0.112 0.000 2.265 107 A HA -0.011 4.311 4.320 0.003 0.000 0.213 107 A C 1.913 179.608 177.584 0.184 0.000 1.255 107 A CA 0.029 52.151 52.037 0.142 0.000 0.862 107 A CB -0.563 18.536 19.000 0.166 0.000 0.852 107 A HN 0.176 nan 8.150 nan 0.000 0.484 108 L N 0.626 121.942 121.223 0.156 0.000 2.013 108 L HA -0.088 4.254 4.340 0.003 0.000 0.212 108 L C -0.744 176.249 176.870 0.204 0.000 1.073 108 L CA 2.558 57.505 54.840 0.177 0.000 0.753 108 L CB -1.245 40.837 42.059 0.039 0.000 0.890 108 L HN 0.172 nan 8.230 nan 0.000 0.432 109 P HA -0.203 nan 4.420 nan 0.000 0.217 109 P C 1.700 179.091 177.300 0.153 0.000 1.158 109 P CA 2.406 65.579 63.100 0.122 0.000 0.887 109 P CB -0.308 31.441 31.700 0.081 0.000 0.792 110 T N -1.969 112.678 114.554 0.154 0.000 2.653 110 T HA -0.247 4.105 4.350 0.003 0.000 0.268 110 T C 1.657 176.464 174.700 0.178 0.000 1.035 110 T CA 1.527 63.709 62.100 0.137 0.000 1.154 110 T CB -1.131 67.813 68.868 0.127 0.000 0.862 110 T HN 0.165 nan 8.240 nan 0.000 0.441 111 Y N 1.034 121.437 120.300 0.173 0.000 2.200 111 Y HA -0.167 4.385 4.550 0.003 0.000 0.290 111 Y C 2.916 178.946 175.900 0.217 0.000 1.137 111 Y CA 1.646 59.884 58.100 0.231 0.000 1.163 111 Y CB -0.067 38.620 38.460 0.379 0.000 0.988 111 Y HN 0.219 nan 8.280 nan 0.000 0.518 112 Q N -0.577 119.520 119.800 0.495 0.000 2.061 112 Q HA -0.220 4.123 4.340 0.003 0.000 0.204 112 Q C 2.037 178.157 176.000 0.200 0.000 0.984 112 Q CA 2.442 58.459 55.803 0.356 0.000 0.846 112 Q CB -0.352 28.552 28.738 0.277 0.000 0.902 112 Q HN 0.332 nan 8.270 nan 0.000 0.421 113 T N 1.428 116.072 114.554 0.149 0.000 2.699 113 T HA -0.228 4.124 4.350 0.003 0.000 0.268 113 T C 1.626 176.344 174.700 0.029 0.000 1.036 113 T CA 1.576 63.721 62.100 0.076 0.000 1.147 113 T CB -0.275 68.627 68.868 0.057 0.000 0.862 113 T HN 0.360 nan 8.240 nan 0.000 0.446 114 M N 0.746 120.352 119.600 0.010 0.000 2.065 114 M HA -0.050 4.432 4.480 0.003 0.000 0.259 114 M C 2.158 178.411 176.300 -0.078 0.000 1.069 114 M CA 1.718 56.964 55.300 -0.089 0.000 1.110 114 M CB -0.975 31.495 32.600 -0.217 0.000 1.328 114 M HN 0.287 nan 8.290 nan 0.000 0.405 115 L N 0.378 121.605 121.223 0.007 0.000 2.127 115 L HA -0.244 4.098 4.340 0.003 0.000 0.211 115 L C 1.809 178.684 176.870 0.007 0.000 1.089 115 L CA 1.019 55.872 54.840 0.022 0.000 0.757 115 L CB -0.852 41.273 42.059 0.110 0.000 0.899 115 L HN 0.368 nan 8.230 nan 0.000 0.434 116 N N -0.758 117.960 118.700 0.031 0.000 2.461 116 N HA -0.070 4.672 4.740 0.003 0.000 0.188 116 N C 1.755 177.254 175.510 -0.018 0.000 1.134 116 N CA 1.224 54.289 53.050 0.026 0.000 0.878 116 N CB 0.084 38.606 38.487 0.058 0.000 0.972 116 N HN 0.438 nan 8.380 nan 0.000 0.456 117 T N -2.065 112.452 114.554 -0.062 0.000 3.043 117 T HA 0.110 4.462 4.350 0.003 0.000 0.263 117 T C 1.026 175.651 174.700 -0.126 0.000 1.094 117 T CA 0.045 62.091 62.100 -0.090 0.000 1.127 117 T CB -0.084 68.703 68.868 -0.134 0.000 0.905 117 T HN -0.003 nan 8.240 nan 0.000 0.490 118 L N 2.437 123.552 121.223 -0.179 0.000 2.455 118 L HA 0.185 4.527 4.340 0.003 0.000 0.272 118 L C 1.242 177.963 176.870 -0.248 0.000 1.174 118 L CA -0.487 54.181 54.840 -0.286 0.000 0.869 118 L CB 0.368 42.150 42.059 -0.463 0.000 1.130 118 L HN 0.039 nan 8.230 nan 0.000 0.474 119 D N 3.221 123.478 120.400 -0.238 0.000 2.084 119 D HA -0.097 4.545 4.640 0.003 0.000 0.196 119 D C 1.777 177.978 176.300 -0.165 0.000 0.985 119 D CA 1.691 55.612 54.000 -0.132 0.000 0.826 119 D CB 0.223 40.993 40.800 -0.051 0.000 0.978 119 D HN 0.814 nan 8.370 nan 0.000 0.456 120 G N -0.097 108.514 108.800 -0.314 0.000 3.042 120 G HA2 0.092 4.054 3.960 0.003 0.000 0.212 120 G HA3 0.092 4.054 3.960 0.003 0.000 0.212 120 G C 1.136 175.841 174.900 -0.325 0.000 1.166 120 G CA 0.514 45.470 45.100 -0.239 0.000 0.767 120 G HN 0.301 nan 8.290 nan 0.000 0.546 121 V N -2.000 117.664 119.914 -0.418 0.000 3.252 121 V HA 0.432 4.554 4.120 0.003 0.000 0.320 121 V C 0.600 176.698 176.094 0.006 0.000 1.459 121 V CA -0.645 61.452 62.300 -0.338 0.000 1.095 121 V CB -0.502 30.975 31.823 -0.577 0.000 0.997 121 V HN 0.277 nan 8.190 nan 0.000 0.469 122 R N 0.731 121.223 120.500 -0.013 0.000 2.490 122 R HA 0.263 4.605 4.340 0.003 0.000 0.278 122 R C -0.681 175.684 176.300 0.108 0.000 1.069 122 R CA -0.211 55.916 56.100 0.044 0.000 1.080 122 R CB 0.978 31.282 30.300 0.007 0.000 1.030 122 R HN 0.279 nan 8.270 nan 0.000 0.491 123 D N 2.469 122.937 120.400 0.115 0.000 2.352 123 D HA 0.005 4.648 4.640 0.003 0.000 0.245 123 D C 0.418 176.766 176.300 0.080 0.000 1.224 123 D CA -0.051 54.016 54.000 0.113 0.000 0.879 123 D CB 0.993 41.860 40.800 0.112 0.000 1.057 123 D HN 0.510 nan 8.370 nan 0.000 0.491 124 E N 1.752 121.998 120.200 0.076 0.000 2.338 124 E HA -0.095 4.257 4.350 0.003 0.000 0.197 124 E C 1.454 178.083 176.600 0.048 0.000 1.007 124 E CA 0.997 57.431 56.400 0.056 0.000 0.849 124 E CB 0.245 29.978 29.700 0.055 0.000 0.774 124 E HN 0.657 nan 8.360 nan 0.000 0.506 125 T N -5.369 109.217 114.554 0.052 0.000 2.980 125 T HA 0.380 4.732 4.350 0.003 0.000 0.252 125 T C 1.497 176.222 174.700 0.042 0.000 0.962 125 T CA 0.736 62.862 62.100 0.043 0.000 0.932 125 T CB 1.086 69.979 68.868 0.041 0.000 1.188 125 T HN 0.186 nan 8.240 nan 0.000 0.500 126 G N 1.333 110.163 108.800 0.050 0.000 2.278 126 G HA2 0.123 4.085 3.960 0.003 0.000 0.210 126 G HA3 0.123 4.085 3.960 0.003 0.000 0.210 126 G C 0.498 175.426 174.900 0.047 0.000 1.000 126 G CA -0.149 44.979 45.100 0.047 0.000 0.635 126 G HN 1.539 nan 8.290 nan 0.000 0.495 127 A N 0.164 123.013 122.820 0.047 0.000 2.897 127 A HA 0.767 5.089 4.320 0.003 0.000 0.230 127 A C 0.309 177.924 177.584 0.052 0.000 0.896 127 A CA 1.252 53.316 52.037 0.045 0.000 1.114 127 A CB 0.098 19.118 19.000 0.033 0.000 1.230 127 A HN 1.322 nan 8.150 nan 0.000 0.481 128 S N 1.491 117.232 115.700 0.068 0.000 2.549 128 S HA 0.329 4.801 4.470 0.003 0.000 0.286 128 S C -1.153 173.493 174.600 0.077 0.000 1.314 128 S CA -0.567 57.679 58.200 0.077 0.000 1.062 128 S CB 0.620 63.881 63.200 0.101 0.000 0.865 128 S HN 0.409 nan 8.310 nan 0.000 0.498 129 P HA 0.088 nan 4.420 nan 0.000 0.245 129 P C 0.396 177.733 177.300 0.062 0.000 1.212 129 P CA 0.101 63.234 63.100 0.055 0.000 0.774 129 P CB -0.615 31.110 31.700 0.042 0.000 0.999 130 T N -3.380 111.230 114.554 0.094 0.000 2.899 130 T HA 0.184 4.536 4.350 0.003 0.000 0.295 130 T C 1.359 176.105 174.700 0.076 0.000 1.033 130 T CA -0.197 61.965 62.100 0.104 0.000 1.084 130 T CB 0.643 69.632 68.868 0.201 0.000 0.979 130 T HN -0.131 nan 8.240 nan 0.000 0.532 131 S N 1.100 116.772 115.700 -0.047 0.000 2.383 131 S HA -0.098 4.374 4.470 0.003 0.000 0.229 131 S C 1.514 176.098 174.600 -0.026 0.000 1.030 131 S CA 1.269 59.381 58.200 -0.145 0.000 1.002 131 S CB -0.658 62.302 63.200 -0.400 0.000 0.829 131 S HN 0.891 nan 8.310 nan 0.000 0.467 132 W N 1.812 123.230 121.300 0.196 0.000 2.355 132 W HA -0.063 4.599 4.660 0.003 0.000 0.309 132 W C 2.874 179.558 176.519 0.275 0.000 1.206 132 W CA 0.575 58.076 57.345 0.260 0.000 1.284 132 W CB -0.548 29.065 29.460 0.254 0.000 1.145 132 W HN 0.286 nan 8.180 nan 0.000 0.502 133 A N 0.477 123.545 122.820 0.414 0.000 1.873 133 A HA -0.161 4.161 4.320 0.003 0.000 0.215 133 A C 1.875 179.589 177.584 0.216 0.000 1.186 133 A CA 1.591 53.794 52.037 0.277 0.000 0.616 133 A CB -0.963 18.159 19.000 0.203 0.000 0.823 133 A HN 0.224 nan 8.150 nan 0.000 0.442 134 I N -1.165 119.516 120.570 0.186 0.000 2.194 134 I HA -0.294 3.878 4.170 0.003 0.000 0.246 134 I C 2.579 178.805 176.117 0.182 0.000 1.093 134 I CA 1.784 63.168 61.300 0.140 0.000 1.355 134 I CB -0.762 37.297 38.000 0.099 0.000 1.046 134 I HN 0.795 nan 8.210 nan 0.000 0.413 135 W N 2.349 123.694 121.300 0.075 0.000 2.381 135 W HA -0.204 4.458 4.660 0.005 0.000 0.301 135 W C 2.318 178.932 176.519 0.159 0.000 1.205 135 W CA 1.781 59.171 57.345 0.076 0.000 1.285 135 W CB -0.398 29.082 29.460 0.033 0.000 1.133 135 W HN 0.074 nan 8.180 nan 0.000 0.521 136 T N 1.377 115.967 114.554 0.059 0.000 2.652 136 T HA -0.214 4.139 4.350 0.003 0.000 0.267 136 T C 1.868 176.581 174.700 0.021 0.000 1.039 136 T CA 1.975 64.087 62.100 0.019 0.000 1.153 136 T CB -0.429 68.564 68.868 0.207 0.000 0.863 136 T HN 0.152 nan 8.240 nan 0.000 0.428 137 R N 0.562 121.087 120.500 0.042 0.000 2.152 137 R HA 0.017 4.360 4.340 0.003 0.000 0.232 137 R C 2.587 178.856 176.300 -0.052 0.000 1.117 137 R CA 1.168 57.281 56.100 0.021 0.000 0.981 137 R CB -0.274 30.046 30.300 0.033 0.000 0.870 137 R HN 0.364 nan 8.270 nan 0.000 0.451 138 A N -0.196 122.558 122.820 -0.111 0.000 1.903 138 A HA -0.133 4.189 4.320 0.003 0.000 0.213 138 A C 1.800 179.211 177.584 -0.289 0.000 1.185 138 A CA 0.430 52.369 52.037 -0.163 0.000 0.628 138 A CB -0.666 18.271 19.000 -0.104 0.000 0.830 138 A HN 0.561 nan 8.150 nan 0.000 0.446 139 W N 1.496 122.357 121.300 -0.733 0.000 2.355 139 W HA -0.179 4.484 4.660 0.004 0.000 0.309 139 W C 2.040 178.275 176.519 -0.473 0.000 1.206 139 W CA 2.692 59.512 57.345 -0.875 0.000 1.284 139 W CB -0.534 28.180 29.460 -1.243 0.000 1.145 139 W HN 0.253 nan 8.180 nan 0.000 0.502 140 T N 0.914 115.370 114.554 -0.165 0.000 2.684 140 T HA -0.254 4.098 4.350 0.003 0.000 0.267 140 T C 1.942 176.423 174.700 -0.365 0.000 1.036 140 T CA 2.283 64.220 62.100 -0.272 0.000 1.148 140 T CB -1.029 67.865 68.868 0.043 0.000 0.863 140 T HN 0.296 nan 8.240 nan 0.000 0.436 141 A N 1.487 124.149 122.820 -0.264 0.000 1.933 141 A HA -0.124 4.198 4.320 0.003 0.000 0.218 141 A C 2.233 179.618 177.584 -0.332 0.000 1.175 141 A CA 1.423 53.315 52.037 -0.242 0.000 0.628 141 A CB -0.440 18.457 19.000 -0.170 0.000 0.814 141 A HN 0.566 nan 8.150 nan 0.000 0.444 142 E N -0.336 119.629 120.200 -0.391 0.000 2.072 142 E HA -0.162 4.191 4.350 0.003 0.000 0.191 142 E C 1.843 178.063 176.600 -0.634 0.000 0.985 142 E CA 1.071 57.217 56.400 -0.423 0.000 0.801 142 E CB -0.171 29.387 29.700 -0.237 0.000 0.750 142 E HN 0.591 nan 8.360 nan 0.000 0.452 143 E N 0.902 120.624 120.200 -0.796 0.000 2.150 143 E HA -0.144 4.208 4.350 0.003 0.000 0.193 143 E C 1.787 177.953 176.600 -0.723 0.000 0.985 143 E CA 0.432 56.233 56.400 -0.998 0.000 0.814 143 E CB -0.257 28.748 29.700 -1.157 0.000 0.752 143 E HN 0.140 nan 8.360 nan 0.000 0.466 144 N N 1.365 119.774 118.700 -0.485 0.000 2.258 144 N HA -0.181 4.561 4.740 0.003 0.000 0.187 144 N C 1.580 176.956 175.510 -0.222 0.000 1.012 144 N CA 1.099 53.978 53.050 -0.285 0.000 0.870 144 N CB 0.076 38.432 38.487 -0.218 0.000 0.977 144 N HN 0.125 nan 8.380 nan 0.000 0.434 145 R N -1.394 118.922 120.500 -0.307 0.000 2.153 145 R HA -0.003 4.339 4.340 0.003 0.000 0.218 145 R C 1.647 178.016 176.300 0.115 0.000 1.072 145 R CA 0.970 56.985 56.100 -0.141 0.000 0.990 145 R CB -0.573 29.496 30.300 -0.386 0.000 0.889 145 R HN 0.617 nan 8.270 nan 0.000 0.452 146 H N 0.366 119.452 119.070 0.027 0.000 2.293 146 H HA -0.061 4.497 4.556 0.003 0.000 0.300 146 H C 2.415 177.757 175.328 0.024 0.000 1.082 146 H CA 0.650 56.726 56.048 0.047 0.000 1.308 146 H CB -0.204 29.547 29.762 -0.017 0.000 1.375 146 H HN 0.347 nan 8.280 nan 0.000 0.495 147 G N 1.028 109.904 108.800 0.127 0.000 2.553 147 G HA2 -0.359 3.603 3.960 0.003 0.000 0.218 147 G HA3 -0.359 3.603 3.960 0.003 0.000 0.218 147 G C 1.100 176.048 174.900 0.080 0.000 1.195 147 G CA 1.583 46.729 45.100 0.077 0.000 0.779 147 G HN 0.320 nan 8.290 nan 0.000 0.577 148 D N -0.191 120.251 120.400 0.069 0.000 2.127 148 D HA -0.139 4.503 4.640 0.003 0.000 0.190 148 D C 2.328 178.703 176.300 0.125 0.000 1.000 148 D CA 1.071 55.118 54.000 0.078 0.000 0.839 148 D CB -0.428 40.412 40.800 0.065 0.000 0.955 148 D HN 0.191 nan 8.370 nan 0.000 0.446 149 L N 0.425 121.748 121.223 0.166 0.000 1.955 149 L HA -0.118 4.224 4.340 0.003 0.000 0.213 149 L C 2.150 179.120 176.870 0.167 0.000 1.072 149 L CA 1.607 56.557 54.840 0.183 0.000 0.755 149 L CB -0.896 41.272 42.059 0.180 0.000 0.888 149 L HN 0.135 nan 8.230 nan 0.000 0.432 150 L N -0.096 121.200 121.223 0.121 0.000 2.079 150 L HA -0.253 4.089 4.340 0.003 0.000 0.210 150 L C 2.542 179.533 176.870 0.202 0.000 1.081 150 L CA 1.496 56.421 54.840 0.141 0.000 0.752 150 L CB -0.818 41.287 42.059 0.078 0.000 0.896 150 L HN 0.551 nan 8.230 nan 0.000 0.433 151 N N 0.924 119.711 118.700 0.145 0.000 2.013 151 N HA -0.249 4.493 4.740 0.003 0.000 0.195 151 N C 1.855 177.469 175.510 0.174 0.000 1.051 151 N CA 1.839 54.966 53.050 0.128 0.000 0.851 151 N CB 0.013 38.546 38.487 0.077 0.000 1.044 151 N HN 0.130 nan 8.380 nan 0.000 0.422 152 K N -0.361 120.143 120.400 0.173 0.000 2.103 152 K HA -0.179 4.143 4.320 0.003 0.000 0.207 152 K C 2.142 178.884 176.600 0.236 0.000 1.048 152 K CA 1.265 57.672 56.287 0.199 0.000 0.930 152 K CB -0.546 32.059 32.500 0.176 0.000 0.716 152 K HN 0.319 nan 8.250 nan 0.000 0.444 153 Y N 0.797 121.195 120.300 0.163 0.000 2.128 153 Y HA -0.217 4.335 4.550 0.004 0.000 0.284 153 Y C 1.544 177.553 175.900 0.182 0.000 1.154 153 Y CA 1.639 59.836 58.100 0.161 0.000 1.149 153 Y CB -0.255 38.281 38.460 0.127 0.000 0.976 153 Y HN -0.032 nan 8.280 nan 0.000 0.505 154 L N -1.006 120.297 121.223 0.134 0.000 2.046 154 L HA -0.239 4.104 4.340 0.003 0.000 0.208 154 L C 2.403 179.259 176.870 -0.023 0.000 1.077 154 L CA 1.800 56.683 54.840 0.072 0.000 0.747 154 L CB -0.894 41.283 42.059 0.198 0.000 0.896 154 L HN 0.366 nan 8.230 nan 0.000 0.432 155 Y N 0.690 120.962 120.300 -0.045 0.000 2.128 155 Y HA -0.269 4.283 4.550 0.003 0.000 0.284 155 Y C 2.302 178.160 175.900 -0.070 0.000 1.154 155 Y CA 1.653 59.733 58.100 -0.034 0.000 1.149 155 Y CB -0.220 38.243 38.460 0.007 0.000 0.976 155 Y HN 0.000 nan 8.280 nan 0.000 0.505 156 L N 0.029 121.212 121.223 -0.066 0.000 2.201 156 L HA -0.173 4.169 4.340 0.003 0.000 0.212 156 L C 2.697 179.400 176.870 -0.278 0.000 1.105 156 L CA 1.332 56.072 54.840 -0.166 0.000 0.775 156 L CB -0.787 41.257 42.059 -0.025 0.000 0.913 156 L HN 0.407 nan 8.230 nan 0.000 0.440 157 S N -0.230 115.263 115.700 -0.345 0.000 2.402 157 S HA -0.087 4.385 4.470 0.003 0.000 0.229 157 S C 1.810 176.264 174.600 -0.243 0.000 1.021 157 S CA 0.774 58.784 58.200 -0.318 0.000 0.974 157 S CB -0.454 62.532 63.200 -0.357 0.000 0.800 157 S HN 0.532 nan 8.310 nan 0.000 0.484 158 G N 1.509 110.155 108.800 -0.257 0.000 2.175 158 G HA2 -0.286 3.676 3.960 0.003 0.000 0.265 158 G HA3 -0.286 3.676 3.960 0.003 0.000 0.265 158 G C 0.909 175.713 174.900 -0.161 0.000 0.979 158 G CA 0.513 45.494 45.100 -0.199 0.000 0.663 158 G HN 0.498 nan 8.290 nan 0.000 0.533 159 R N -0.503 119.827 120.500 -0.284 0.000 2.317 159 R HA 0.309 4.651 4.340 0.003 0.000 0.208 159 R C 1.110 177.246 176.300 -0.275 0.000 0.914 159 R CA 1.144 57.007 56.100 -0.396 0.000 1.060 159 R CB 0.270 30.012 30.300 -0.930 0.000 1.015 159 R HN 0.931 nan 8.270 nan 0.000 0.498 160 V N -2.512 117.325 119.914 -0.128 0.000 3.102 160 V HA 0.432 4.555 4.120 0.003 0.000 0.312 160 V C -0.727 175.310 176.094 -0.094 0.000 1.135 160 V CA -1.325 60.934 62.300 -0.069 0.000 1.022 160 V CB 2.669 34.435 31.823 -0.095 0.000 1.056 160 V HN -0.201 nan 8.190 nan 0.000 0.436 161 D N 2.664 122.788 120.400 -0.459 0.000 2.441 161 D HA 0.299 4.941 4.640 0.003 0.000 0.221 161 D C 0.981 177.149 176.300 -0.220 0.000 1.156 161 D CA -0.402 53.160 54.000 -0.730 0.000 0.896 161 D CB 1.222 41.269 40.800 -1.254 0.000 1.028 161 D HN 0.512 nan 8.370 nan 0.000 0.509 162 M N 2.796 122.354 119.600 -0.070 0.000 2.213 162 M HA -0.107 4.375 4.480 0.003 0.000 0.263 162 M C 1.939 178.249 176.300 0.018 0.000 1.062 162 M CA 1.039 56.349 55.300 0.016 0.000 1.105 162 M CB -0.666 32.009 32.600 0.125 0.000 1.385 162 M HN 0.437 nan 8.290 nan 0.000 0.417 163 R N -0.101 120.408 120.500 0.015 0.000 2.092 163 R HA -0.141 4.201 4.340 0.003 0.000 0.231 163 R C 2.142 178.460 176.300 0.029 0.000 1.119 163 R CA 1.166 57.282 56.100 0.026 0.000 0.970 163 R CB 0.121 30.443 30.300 0.036 0.000 0.864 163 R HN 0.260 nan 8.270 nan 0.000 0.440 164 Q N 0.421 120.233 119.800 0.020 0.000 2.137 164 Q HA -0.033 4.309 4.340 0.003 0.000 0.198 164 Q C 2.141 178.253 176.000 0.186 0.000 0.960 164 Q CA 1.177 57.040 55.803 0.100 0.000 0.847 164 Q CB -0.009 28.784 28.738 0.092 0.000 0.915 164 Q HN 0.442 nan 8.270 nan 0.000 0.448 165 I N 0.604 121.228 120.570 0.090 0.000 2.179 165 I HA -0.281 3.891 4.170 0.003 0.000 0.242 165 I C 2.059 178.173 176.117 -0.004 0.000 1.088 165 I CA 1.200 62.469 61.300 -0.052 0.000 1.357 165 I CB -0.188 37.707 38.000 -0.175 0.000 1.051 165 I HN 0.216 nan 8.210 nan 0.000 0.409 166 E N 0.775 120.984 120.200 0.015 0.000 2.058 166 E HA -0.297 4.055 4.350 0.003 0.000 0.194 166 E C 2.142 178.764 176.600 0.037 0.000 0.997 166 E CA 1.496 57.907 56.400 0.019 0.000 0.801 166 E CB -0.058 29.651 29.700 0.015 0.000 0.746 166 E HN 0.283 nan 8.360 nan 0.000 0.450 167 K N 0.101 120.536 120.400 0.058 0.000 2.063 167 K HA -0.150 4.172 4.320 0.003 0.000 0.208 167 K C 2.054 178.768 176.600 0.190 0.000 1.048 167 K CA 1.844 58.169 56.287 0.064 0.000 0.928 167 K CB -0.096 32.459 32.500 0.091 0.000 0.713 167 K HN 0.030 nan 8.250 nan 0.000 0.442 168 T N 1.211 115.923 114.554 0.263 0.000 2.720 168 T HA -0.156 4.196 4.350 0.003 0.000 0.268 168 T C 1.788 176.647 174.700 0.265 0.000 1.037 168 T CA 1.737 64.048 62.100 0.353 0.000 1.144 168 T CB -0.221 68.900 68.868 0.421 0.000 0.864 168 T HN 0.188 nan 8.240 nan 0.000 0.444 169 I N 0.724 121.378 120.570 0.140 0.000 2.252 169 I HA -0.192 3.980 4.170 0.003 0.000 0.245 169 I C 2.886 179.065 176.117 0.103 0.000 1.102 169 I CA 1.299 62.657 61.300 0.097 0.000 1.385 169 I CB -0.382 37.641 38.000 0.039 0.000 1.064 169 I HN 0.265 nan 8.210 nan 0.000 0.414 170 Q N 0.053 119.891 119.800 0.063 0.000 2.084 170 Q HA -0.246 4.097 4.340 0.003 0.000 0.202 170 Q C 2.299 178.327 176.000 0.046 0.000 0.978 170 Q CA 1.878 57.686 55.803 0.008 0.000 0.844 170 Q CB -0.098 28.588 28.738 -0.085 0.000 0.898 170 Q HN 0.428 nan 8.270 nan 0.000 0.426 171 Y N 0.173 120.537 120.300 0.107 0.000 2.097 171 Y HA -0.286 4.266 4.550 0.003 0.000 0.282 171 Y C 2.133 178.107 175.900 0.124 0.000 1.152 171 Y CA 1.358 59.547 58.100 0.148 0.000 1.136 171 Y CB -0.662 37.942 38.460 0.241 0.000 0.975 171 Y HN 0.213 nan 8.280 nan 0.000 0.498 172 L N 0.249 121.652 121.223 0.300 0.000 1.997 172 L HA -0.267 4.075 4.340 0.003 0.000 0.216 172 L C 2.160 179.115 176.870 0.141 0.000 1.074 172 L CA 1.822 56.781 54.840 0.199 0.000 0.763 172 L CB -1.015 41.151 42.059 0.178 0.000 0.890 172 L HN 0.257 nan 8.230 nan 0.000 0.434 173 I N -0.935 119.706 120.570 0.119 0.000 2.226 173 I HA -0.228 3.944 4.170 0.003 0.000 0.245 173 I C 2.480 178.643 176.117 0.077 0.000 1.100 173 I CA 1.269 62.623 61.300 0.089 0.000 1.374 173 I CB -1.104 36.938 38.000 0.070 0.000 1.057 173 I HN 0.426 nan 8.210 nan 0.000 0.413 174 G N 0.170 109.020 108.800 0.082 0.000 2.442 174 G HA2 -0.235 3.727 3.960 0.003 0.000 0.219 174 G HA3 -0.235 3.727 3.960 0.003 0.000 0.219 174 G C 1.745 176.689 174.900 0.074 0.000 1.141 174 G CA 1.156 46.300 45.100 0.073 0.000 0.763 174 G HN 0.407 nan 8.290 nan 0.000 0.554 175 S N 0.049 115.805 115.700 0.093 0.000 2.377 175 S HA 0.324 4.796 4.470 0.003 0.000 0.223 175 S C 1.739 176.357 174.600 0.029 0.000 1.030 175 S CA 0.917 59.151 58.200 0.056 0.000 0.970 175 S CB -0.449 62.783 63.200 0.054 0.000 0.830 175 S HN 1.291 nan 8.310 nan 0.000 0.473 176 G N 2.038 110.865 108.800 0.046 0.000 2.562 176 G HA2 -0.265 3.697 3.960 0.003 0.000 0.250 176 G HA3 -0.265 3.697 3.960 0.003 0.000 0.250 176 G C -0.411 174.507 174.900 0.030 0.000 1.269 176 G CA 0.225 45.348 45.100 0.038 0.000 0.919 176 G HN 0.754 nan 8.290 nan 0.000 0.574 177 M N -0.323 119.288 119.600 0.018 0.000 2.414 177 M HA 0.615 5.097 4.480 0.003 0.000 0.287 177 M C -2.440 173.847 176.300 -0.023 0.000 1.181 177 M CA -0.546 54.779 55.300 0.041 0.000 0.933 177 M CB 2.414 35.052 32.600 0.063 0.000 1.732 177 M HN 0.733 nan 8.290 nan 0.000 0.486 178 D N 5.692 126.090 120.400 -0.003 0.000 2.464 178 D HA 0.477 5.119 4.640 0.003 0.000 0.243 178 D C -2.007 174.200 176.300 -0.154 0.000 1.104 178 D CA -1.694 52.254 54.000 -0.087 0.000 0.883 178 D CB 1.607 42.378 40.800 -0.050 0.000 1.050 178 D HN 0.447 nan 8.370 nan 0.000 0.524 179 P HA 0.006 nan 4.420 nan 0.000 0.245 179 P C -0.276 176.767 177.300 -0.427 0.000 1.212 179 P CA 0.078 62.851 63.100 -0.545 0.000 0.774 179 P CB 0.183 31.169 31.700 -1.189 0.000 0.999 180 R N -1.093 119.233 120.500 -0.291 0.000 3.656 180 R HA -0.087 4.255 4.340 0.003 0.000 0.297 180 R C 0.823 176.992 176.300 -0.218 0.000 1.166 180 R CA 1.143 57.112 56.100 -0.219 0.000 0.799 180 R CB -3.238 26.942 30.300 -0.201 0.000 1.285 180 R HN 0.417 nan 8.270 nan 0.000 0.477 181 T N -3.012 111.382 114.554 -0.268 0.000 3.113 181 T HA 0.071 4.423 4.350 0.003 0.000 0.256 181 T C 0.678 175.254 174.700 -0.207 0.000 1.131 181 T CA 0.437 62.397 62.100 -0.234 0.000 1.074 181 T CB 0.159 68.854 68.868 -0.287 0.000 0.944 181 T HN 0.439 nan 8.240 nan 0.000 0.516 182 E N 0.928 121.002 120.200 -0.210 0.000 2.722 182 E HA -0.282 4.070 4.350 0.003 0.000 0.265 182 E C 0.106 176.566 176.600 -0.235 0.000 1.081 182 E CA 0.501 56.779 56.400 -0.203 0.000 0.781 182 E CB -2.137 27.471 29.700 -0.153 0.000 1.372 182 E HN 0.835 nan 8.360 nan 0.000 0.423 183 N N -1.542 117.000 118.700 -0.264 0.000 2.850 183 N HA -0.207 4.535 4.740 0.003 0.000 0.249 183 N C -0.673 174.710 175.510 -0.213 0.000 1.060 183 N CA 0.967 53.864 53.050 -0.256 0.000 0.825 183 N CB -0.689 37.596 38.487 -0.336 0.000 1.132 183 N HN 0.246 nan 8.380 nan 0.000 0.564 184 S N -0.092 115.479 115.700 -0.215 0.000 2.420 184 S HA 0.441 4.913 4.470 0.003 0.000 0.313 184 S C -1.542 172.870 174.600 -0.313 0.000 1.079 184 S CA -1.888 56.200 58.200 -0.187 0.000 1.104 184 S CB 1.186 64.327 63.200 -0.099 0.000 0.969 184 S HN -0.117 nan 8.310 nan 0.000 0.471 185 P HA -0.135 nan 4.420 nan 0.000 0.217 185 P C 0.491 177.460 177.300 -0.552 0.000 1.148 185 P CA 1.308 63.817 63.100 -0.985 0.000 0.828 185 P CB -0.048 30.701 31.700 -1.584 0.000 0.783 186 Y N -0.760 119.384 120.300 -0.261 0.000 2.097 186 Y HA -0.180 4.372 4.550 0.003 0.000 0.282 186 Y C 2.403 178.221 175.900 -0.136 0.000 1.152 186 Y CA 1.319 59.349 58.100 -0.117 0.000 1.136 186 Y CB -1.411 36.982 38.460 -0.111 0.000 0.975 186 Y HN -0.140 nan 8.280 nan 0.000 0.498 187 L N -1.282 119.957 121.223 0.026 0.000 2.044 187 L HA -0.101 4.241 4.340 0.003 0.000 0.205 187 L C 2.752 179.611 176.870 -0.017 0.000 1.075 187 L CA 1.217 56.057 54.840 0.001 0.000 0.747 187 L CB -1.299 40.731 42.059 -0.048 0.000 0.903 187 L HN 0.308 nan 8.230 nan 0.000 0.435 188 G N 0.175 108.869 108.800 -0.176 0.000 2.476 188 G HA2 -0.285 3.677 3.960 0.003 0.000 0.218 188 G HA3 -0.285 3.677 3.960 0.003 0.000 0.218 188 G C 1.332 176.214 174.900 -0.030 0.000 1.164 188 G CA 0.803 45.774 45.100 -0.215 0.000 0.768 188 G HN 0.187 nan 8.290 nan 0.000 0.560 189 F N 0.588 120.538 119.950 -0.001 0.000 2.367 189 F HA 0.260 4.788 4.527 0.003 0.000 0.298 189 F C 2.574 178.444 175.800 0.117 0.000 1.094 189 F CA -0.494 57.539 58.000 0.055 0.000 1.409 189 F CB -0.468 38.607 39.000 0.126 0.000 1.064 189 F HN 0.090 nan 8.300 nan 0.000 0.528 190 I N -1.353 119.367 120.570 0.251 0.000 2.252 190 I HA -0.333 3.839 4.170 0.003 0.000 0.245 190 I C 2.449 178.775 176.117 0.349 0.000 1.102 190 I CA 1.255 62.710 61.300 0.259 0.000 1.385 190 I CB -0.526 37.542 38.000 0.112 0.000 1.064 190 I HN 0.084 nan 8.210 nan 0.000 0.414 191 Y N 2.277 122.676 120.300 0.164 0.000 2.070 191 Y HA -0.360 4.192 4.550 0.003 0.000 0.280 191 Y C 2.905 178.932 175.900 0.211 0.000 1.148 191 Y CA 2.544 60.734 58.100 0.150 0.000 1.125 191 Y CB -0.842 37.634 38.460 0.026 0.000 0.975 191 Y HN 0.266 nan 8.280 nan 0.000 0.492 192 T N -2.581 112.045 114.554 0.120 0.000 2.833 192 T HA -0.179 4.174 4.350 0.003 0.000 0.269 192 T C 2.120 176.851 174.700 0.052 0.000 1.054 192 T CA 1.434 63.518 62.100 -0.027 0.000 1.135 192 T CB -0.863 67.767 68.868 -0.396 0.000 0.869 192 T HN 0.309 nan 8.240 nan 0.000 0.466 193 S N 0.785 116.605 115.700 0.200 0.000 2.348 193 S HA 0.019 4.491 4.470 0.003 0.000 0.221 193 S C 1.447 176.178 174.600 0.218 0.000 1.033 193 S CA 1.097 59.477 58.200 0.299 0.000 1.010 193 S CB -0.596 62.901 63.200 0.494 0.000 0.891 193 S HN 0.519 nan 8.310 nan 0.000 0.442 194 F N 2.480 122.489 119.950 0.099 0.000 2.075 194 F HA -0.139 4.389 4.527 0.003 0.000 0.297 194 F C 2.605 178.393 175.800 -0.020 0.000 1.113 194 F CA 1.583 59.608 58.000 0.042 0.000 1.218 194 F CB -0.665 38.365 39.000 0.049 0.000 0.984 194 F HN 0.085 nan 8.300 nan 0.000 0.472 195 Q N 0.856 120.761 119.800 0.174 0.000 1.991 195 Q HA -0.270 4.072 4.340 0.003 0.000 0.213 195 Q C 2.235 178.304 176.000 0.115 0.000 1.022 195 Q CA 2.357 58.194 55.803 0.056 0.000 0.877 195 Q CB -0.914 27.750 28.738 -0.124 0.000 0.970 195 Q HN 0.493 nan 8.270 nan 0.000 0.414 196 E N -0.094 120.199 120.200 0.156 0.000 2.085 196 E HA -0.219 4.133 4.350 0.003 0.000 0.194 196 E C 2.098 178.791 176.600 0.154 0.000 0.994 196 E CA 1.007 57.537 56.400 0.217 0.000 0.801 196 E CB -0.275 29.624 29.700 0.331 0.000 0.743 196 E HN 0.281 nan 8.360 nan 0.000 0.453 197 R N 0.671 121.208 120.500 0.063 0.000 2.096 197 R HA -0.127 4.215 4.340 0.003 0.000 0.235 197 R C 2.287 178.596 176.300 0.015 0.000 1.127 197 R CA 1.366 57.464 56.100 -0.004 0.000 0.968 197 R CB -0.192 30.013 30.300 -0.159 0.000 0.861 197 R HN 0.150 nan 8.270 nan 0.000 0.440 198 A N -0.374 122.416 122.820 -0.051 0.000 1.883 198 A HA -0.198 4.124 4.320 0.003 0.000 0.217 198 A C 2.247 179.716 177.584 -0.192 0.000 1.186 198 A CA 2.155 54.112 52.037 -0.134 0.000 0.624 198 A CB -1.128 17.768 19.000 -0.174 0.000 0.822 198 A HN 0.565 nan 8.150 nan 0.000 0.444 199 T N -2.760 111.753 114.554 -0.068 0.000 3.055 199 T HA -0.080 4.272 4.350 0.003 0.000 0.265 199 T C 1.572 176.299 174.700 0.045 0.000 1.111 199 T CA 1.312 63.373 62.100 -0.064 0.000 1.118 199 T CB -0.467 68.433 68.868 0.053 0.000 0.909 199 T HN 0.399 nan 8.240 nan 0.000 0.501 200 F N 1.875 121.815 119.950 -0.016 0.000 2.171 200 F HA 0.095 4.625 4.527 0.004 0.000 0.300 200 F C 1.738 177.514 175.800 -0.040 0.000 1.090 200 F CA 0.945 58.938 58.000 -0.012 0.000 1.293 200 F CB -0.230 38.744 39.000 -0.042 0.000 1.013 200 F HN 0.111 nan 8.300 nan 0.000 0.486 201 I N -0.562 119.929 120.570 -0.131 0.000 2.286 201 I HA -0.196 3.976 4.170 0.003 0.000 0.245 201 I C 2.632 178.631 176.117 -0.197 0.000 1.104 201 I CA 1.109 62.288 61.300 -0.202 0.000 1.397 201 I CB -1.742 36.272 38.000 0.024 0.000 1.072 201 I HN 0.168 nan 8.210 nan 0.000 0.417 202 S N 0.127 115.716 115.700 -0.185 0.000 2.365 202 S HA -0.223 4.250 4.470 0.003 0.000 0.221 202 S C 2.027 176.457 174.600 -0.284 0.000 1.037 202 S CA 1.523 59.573 58.200 -0.250 0.000 1.060 202 S CB -0.306 62.645 63.200 -0.415 0.000 0.974 202 S HN 0.430 nan 8.310 nan 0.000 0.427 203 H N 0.285 119.248 119.070 -0.178 0.000 2.389 203 H HA 0.017 4.575 4.556 0.003 0.000 0.299 203 H C 2.467 177.637 175.328 -0.263 0.000 1.081 203 H CA 1.128 57.051 56.048 -0.208 0.000 1.345 203 H CB -1.134 28.501 29.762 -0.211 0.000 1.393 203 H HN 0.505 nan 8.280 nan 0.000 0.520 204 G N 1.693 110.319 108.800 -0.290 0.000 2.556 204 G HA2 -0.332 3.630 3.960 0.003 0.000 0.220 204 G HA3 -0.332 3.630 3.960 0.003 0.000 0.220 204 G C 1.686 176.456 174.900 -0.218 0.000 1.156 204 G CA 1.167 46.033 45.100 -0.390 0.000 0.766 204 G HN 0.391 nan 8.290 nan 0.000 0.583 205 N N 0.178 118.777 118.700 -0.168 0.000 2.251 205 N HA -0.074 4.668 4.740 0.003 0.000 0.181 205 N C 2.642 178.127 175.510 -0.041 0.000 1.019 205 N CA 1.754 54.744 53.050 -0.099 0.000 0.862 205 N CB -0.847 37.591 38.487 -0.081 0.000 0.992 205 N HN 0.488 nan 8.380 nan 0.000 0.429 206 T N -0.148 114.377 114.554 -0.048 0.000 2.699 206 T HA -0.083 4.269 4.350 0.003 0.000 0.268 206 T C 2.070 176.836 174.700 0.111 0.000 1.036 206 T CA 1.437 63.558 62.100 0.035 0.000 1.147 206 T CB -0.508 68.306 68.868 -0.090 0.000 0.862 206 T HN 0.174 nan 8.240 nan 0.000 0.446 207 A N 2.327 125.140 122.820 -0.011 0.000 1.849 207 A HA -0.155 4.167 4.320 0.003 0.000 0.217 207 A C 2.528 180.073 177.584 -0.065 0.000 1.202 207 A CA 2.061 54.060 52.037 -0.063 0.000 0.629 207 A CB -1.055 17.874 19.000 -0.118 0.000 0.834 207 A HN 0.488 nan 8.150 nan 0.000 0.447 208 R N -0.827 119.627 120.500 -0.077 0.000 2.140 208 R HA -0.250 4.092 4.340 0.003 0.000 0.250 208 R C 2.447 178.688 176.300 -0.098 0.000 1.150 208 R CA 2.292 58.341 56.100 -0.085 0.000 0.966 208 R CB -0.295 29.954 30.300 -0.085 0.000 0.869 208 R HN 0.758 nan 8.270 nan 0.000 0.445 209 Q N -1.259 118.508 119.800 -0.056 0.000 2.187 209 Q HA -0.007 4.335 4.340 0.003 0.000 0.199 209 Q C 2.025 177.887 176.000 -0.231 0.000 0.957 209 Q CA 1.046 56.782 55.803 -0.112 0.000 0.857 209 Q CB 0.101 28.896 28.738 0.095 0.000 0.929 209 Q HN 0.398 nan 8.270 nan 0.000 0.453 210 A N 1.401 124.126 122.820 -0.157 0.000 1.908 210 A HA -0.255 4.068 4.320 0.003 0.000 0.218 210 A C 1.958 179.434 177.584 -0.181 0.000 1.181 210 A CA 1.641 53.524 52.037 -0.256 0.000 0.627 210 A CB -0.409 18.482 19.000 -0.181 0.000 0.818 210 A HN 0.191 nan 8.150 nan 0.000 0.445 211 K N -0.320 119.992 120.400 -0.146 0.000 2.002 211 K HA -0.200 4.122 4.320 0.003 0.000 0.209 211 K C 1.945 178.458 176.600 -0.145 0.000 1.048 211 K CA 1.767 57.982 56.287 -0.120 0.000 0.930 211 K CB -0.221 32.219 32.500 -0.100 0.000 0.714 211 K HN 0.623 nan 8.250 nan 0.000 0.438 212 E N -0.559 119.509 120.200 -0.219 0.000 2.171 212 E HA -0.189 4.163 4.350 0.003 0.000 0.197 212 E C 1.254 177.667 176.600 -0.311 0.000 0.997 212 E CA 0.983 57.211 56.400 -0.286 0.000 0.810 212 E CB -0.034 29.435 29.700 -0.385 0.000 0.738 212 E HN 0.422 nan 8.360 nan 0.000 0.467 213 H N -1.132 117.857 119.070 -0.135 0.000 2.538 213 H HA 0.203 4.761 4.556 0.003 0.000 0.286 213 H C 1.221 176.483 175.328 -0.108 0.000 1.035 213 H CA 0.698 56.664 56.048 -0.136 0.000 1.169 213 H CB 0.690 30.321 29.762 -0.218 0.000 1.417 213 H HN 0.328 nan 8.280 nan 0.000 0.567 214 G N 1.269 110.058 108.800 -0.020 0.000 2.159 214 G HA2 -0.255 3.707 3.960 0.003 0.000 0.256 214 G HA3 -0.255 3.707 3.960 0.003 0.000 0.256 214 G C 0.090 174.979 174.900 -0.019 0.000 0.977 214 G CA 0.299 45.389 45.100 -0.017 0.000 0.652 214 G HN 0.420 nan 8.290 nan 0.000 0.531 215 D N 0.500 120.877 120.400 -0.039 0.000 2.505 215 D HA 0.469 5.111 4.640 0.003 0.000 0.242 215 D C 1.824 178.093 176.300 -0.051 0.000 1.136 215 D CA -0.664 53.317 54.000 -0.033 0.000 0.954 215 D CB -0.092 40.686 40.800 -0.036 0.000 1.002 215 D HN 0.145 nan 8.370 nan 0.000 0.512 216 I N 1.703 122.253 120.570 -0.033 0.000 2.286 216 I HA -0.195 3.977 4.170 0.003 0.000 0.248 216 I C 2.448 178.547 176.117 -0.030 0.000 1.115 216 I CA 0.872 62.151 61.300 -0.036 0.000 1.392 216 I CB -0.203 37.785 38.000 -0.021 0.000 1.065 216 I HN 0.148 nan 8.210 nan 0.000 0.418 217 K N 0.384 120.781 120.400 -0.004 0.000 2.148 217 K HA -0.086 4.236 4.320 0.003 0.000 0.204 217 K C 2.143 178.720 176.600 -0.038 0.000 1.050 217 K CA 1.183 57.485 56.287 0.025 0.000 0.942 217 K CB -0.347 32.197 32.500 0.072 0.000 0.724 217 K HN 0.253 nan 8.250 nan 0.000 0.446 218 L N 0.625 121.780 121.223 -0.114 0.000 2.131 218 L HA 0.019 4.361 4.340 0.003 0.000 0.206 218 L C 2.127 178.859 176.870 -0.230 0.000 1.087 218 L CA 1.563 56.235 54.840 -0.280 0.000 0.767 218 L CB -0.552 41.302 42.059 -0.342 0.000 0.917 218 L HN 0.048 nan 8.230 nan 0.000 0.441 219 A N -0.826 121.902 122.820 -0.154 0.000 1.908 219 A HA -0.300 4.022 4.320 0.003 0.000 0.218 219 A C 2.251 179.740 177.584 -0.159 0.000 1.181 219 A CA 2.069 54.025 52.037 -0.136 0.000 0.627 219 A CB -0.666 18.273 19.000 -0.103 0.000 0.818 219 A HN 0.634 nan 8.150 nan 0.000 0.445 220 Q N -0.763 118.960 119.800 -0.128 0.000 2.124 220 Q HA -0.103 4.239 4.340 0.003 0.000 0.202 220 Q C 1.975 177.758 176.000 -0.362 0.000 0.977 220 Q CA 1.537 57.267 55.803 -0.122 0.000 0.850 220 Q CB -0.284 28.492 28.738 0.063 0.000 0.901 220 Q HN 0.776 nan 8.270 nan 0.000 0.429 221 I N -0.539 119.778 120.570 -0.422 0.000 2.202 221 I HA -0.326 3.846 4.170 0.003 0.000 0.242 221 I C 2.196 177.947 176.117 -0.609 0.000 1.091 221 I CA 0.727 61.609 61.300 -0.697 0.000 1.368 221 I CB -0.195 37.501 38.000 -0.508 0.000 1.058 221 I HN 0.320 nan 8.210 nan 0.000 0.410 222 C N 0.701 119.757 119.300 -0.406 0.000 2.440 222 C HA -0.038 4.424 4.460 0.003 0.000 0.278 222 C C 2.967 177.751 174.990 -0.342 0.000 1.295 222 C CA 0.819 59.632 59.018 -0.341 0.000 1.738 222 C CB -1.736 25.907 27.740 -0.161 0.000 1.987 222 C HN 0.661 nan 8.230 nan 0.000 0.492 223 G N 0.446 109.069 108.800 -0.295 0.000 2.422 223 G HA2 -0.200 3.762 3.960 0.003 0.000 0.218 223 G HA3 -0.200 3.762 3.960 0.003 0.000 0.218 223 G C 1.673 176.416 174.900 -0.261 0.000 1.146 223 G CA 1.724 46.684 45.100 -0.233 0.000 0.769 223 G HN 0.503 nan 8.290 nan 0.000 0.547 224 T N 1.344 115.642 114.554 -0.426 0.000 2.737 224 T HA -0.028 4.324 4.350 0.003 0.000 0.265 224 T C 2.394 176.839 174.700 -0.424 0.000 1.038 224 T CA 0.941 62.724 62.100 -0.529 0.000 1.144 224 T CB -0.160 68.048 68.868 -1.100 0.000 0.866 224 T HN 0.241 nan 8.240 nan 0.000 0.434 225 I N 1.447 121.683 120.570 -0.558 0.000 2.208 225 I HA -0.212 3.960 4.170 0.003 0.000 0.245 225 I C 2.970 178.858 176.117 -0.380 0.000 1.097 225 I CA 1.140 62.082 61.300 -0.596 0.000 1.363 225 I CB -0.609 36.846 38.000 -0.908 0.000 1.051 225 I HN 0.202 nan 8.210 nan 0.000 0.413 226 A N 1.023 123.693 122.820 -0.251 0.000 1.892 226 A HA -0.245 4.077 4.320 0.003 0.000 0.218 226 A C 2.591 180.276 177.584 0.170 0.000 1.188 226 A CA 2.178 54.211 52.037 -0.007 0.000 0.631 226 A CB -0.922 18.000 19.000 -0.130 0.000 0.822 226 A HN 0.454 nan 8.150 nan 0.000 0.447 227 A N -0.140 122.723 122.820 0.071 0.000 1.883 227 A HA -0.244 4.078 4.320 0.003 0.000 0.217 227 A C 1.801 179.431 177.584 0.078 0.000 1.186 227 A CA 2.230 54.331 52.037 0.108 0.000 0.624 227 A CB -0.834 18.206 19.000 0.067 0.000 0.822 227 A HN 0.476 nan 8.150 nan 0.000 0.444 228 D N -0.502 119.937 120.400 0.065 0.000 2.123 228 D HA -0.117 4.525 4.640 0.003 0.000 0.196 228 D C 2.037 178.199 176.300 -0.231 0.000 0.992 228 D CA 1.288 55.272 54.000 -0.026 0.000 0.833 228 D CB -0.110 40.810 40.800 0.201 0.000 0.954 228 D HN 0.426 nan 8.370 nan 0.000 0.455 229 E N 0.247 120.443 120.200 -0.007 0.000 2.106 229 E HA -0.141 4.211 4.350 0.003 0.000 0.192 229 E C 1.946 178.610 176.600 0.108 0.000 0.984 229 E CA 0.550 57.027 56.400 0.128 0.000 0.806 229 E CB -0.141 29.706 29.700 0.245 0.000 0.750 229 E HN 0.299 nan 8.360 nan 0.000 0.458 230 K N 1.060 121.481 120.400 0.034 0.000 2.063 230 K HA -0.125 4.197 4.320 0.003 0.000 0.208 230 K C 2.203 178.753 176.600 -0.084 0.000 1.048 230 K CA 1.135 57.304 56.287 -0.196 0.000 0.928 230 K CB 0.077 32.334 32.500 -0.405 0.000 0.713 230 K HN -0.064 nan 8.250 nan 0.000 0.442 231 R N -0.778 119.705 120.500 -0.029 0.000 2.081 231 R HA -0.129 4.213 4.340 0.003 0.000 0.235 231 R C 2.219 178.610 176.300 0.151 0.000 1.131 231 R CA 1.954 58.075 56.100 0.035 0.000 0.960 231 R CB -0.400 29.950 30.300 0.083 0.000 0.856 231 R HN 0.523 nan 8.270 nan 0.000 0.436 232 H N -0.379 118.845 119.070 0.258 0.000 2.357 232 H HA -0.085 4.473 4.556 0.003 0.000 0.301 232 H C 2.121 177.648 175.328 0.331 0.000 1.082 232 H CA 0.786 57.099 56.048 0.442 0.000 1.342 232 H CB 0.097 30.271 29.762 0.687 0.000 1.389 232 H HN 0.294 nan 8.280 nan 0.000 0.511 233 E N 0.721 121.129 120.200 0.346 0.000 2.065 233 E HA -0.218 4.134 4.350 0.003 0.000 0.201 233 E C 1.887 178.555 176.600 0.112 0.000 1.016 233 E CA 2.024 58.553 56.400 0.215 0.000 0.818 233 E CB 0.010 29.737 29.700 0.045 0.000 0.749 233 E HN 0.381 nan 8.360 nan 0.000 0.453 234 T N 0.624 115.162 114.554 -0.027 0.000 2.699 234 T HA -0.190 4.162 4.350 0.003 0.000 0.268 234 T C 1.802 176.355 174.700 -0.244 0.000 1.036 234 T CA 1.551 63.561 62.100 -0.150 0.000 1.147 234 T CB -0.314 68.395 68.868 -0.264 0.000 0.862 234 T HN 0.371 nan 8.240 nan 0.000 0.446 235 A N 0.225 122.829 122.820 -0.361 0.000 1.873 235 A HA -0.025 4.297 4.320 0.003 0.000 0.215 235 A C 2.060 179.424 177.584 -0.367 0.000 1.186 235 A CA 1.225 52.955 52.037 -0.512 0.000 0.616 235 A CB -0.931 17.623 19.000 -0.743 0.000 0.823 235 A HN 0.520 nan 8.150 nan 0.000 0.442 236 Y N 1.239 121.502 120.300 -0.061 0.000 2.242 236 Y HA -0.169 4.383 4.550 0.003 0.000 0.291 236 Y C 3.147 179.130 175.900 0.138 0.000 1.137 236 Y CA 1.756 59.851 58.100 -0.008 0.000 1.181 236 Y CB -0.977 37.561 38.460 0.129 0.000 0.989 236 Y HN 0.522 nan 8.280 nan 0.000 0.527 237 T N -2.023 112.734 114.554 0.339 0.000 2.746 237 T HA -0.227 4.125 4.350 0.003 0.000 0.267 237 T C 1.893 176.849 174.700 0.425 0.000 1.039 237 T CA 1.645 64.019 62.100 0.457 0.000 1.142 237 T CB -0.285 68.691 68.868 0.179 0.000 0.866 237 T HN 0.081 nan 8.240 nan 0.000 0.444 238 K N 0.850 121.386 120.400 0.228 0.000 2.097 238 K HA 0.140 4.462 4.320 0.003 0.000 0.206 238 K C 2.133 178.940 176.600 0.345 0.000 1.049 238 K CA 1.129 57.575 56.287 0.265 0.000 0.933 238 K CB -0.499 32.109 32.500 0.179 0.000 0.717 238 K HN 0.490 nan 8.250 nan 0.000 0.442 239 I N -0.283 120.428 120.570 0.235 0.000 2.179 239 I HA -0.278 3.894 4.170 0.003 0.000 0.242 239 I C 1.905 178.070 176.117 0.080 0.000 1.088 239 I CA 0.968 62.379 61.300 0.185 0.000 1.357 239 I CB -0.263 37.725 38.000 -0.021 0.000 1.051 239 I HN -0.070 nan 8.210 nan 0.000 0.409 240 V N 0.738 120.730 119.914 0.130 0.000 2.358 240 V HA -0.272 3.850 4.120 0.003 0.000 0.246 240 V C 2.499 178.543 176.094 -0.082 0.000 1.047 240 V CA 2.013 64.264 62.300 -0.082 0.000 1.035 240 V CB -0.788 30.883 31.823 -0.253 0.000 0.658 240 V HN 0.516 nan 8.190 nan 0.000 0.452 241 E N 0.426 120.738 120.200 0.186 0.000 2.086 241 E HA -0.325 4.027 4.350 0.003 0.000 0.200 241 E C 2.304 178.944 176.600 0.067 0.000 1.012 241 E CA 1.628 58.171 56.400 0.239 0.000 0.812 241 E CB -0.111 29.775 29.700 0.310 0.000 0.743 241 E HN 0.364 nan 8.360 nan 0.000 0.453 242 K N 0.382 120.726 120.400 -0.093 0.000 2.148 242 K HA -0.078 4.244 4.320 0.003 0.000 0.204 242 K C 2.303 178.711 176.600 -0.320 0.000 1.050 242 K CA 0.684 56.765 56.287 -0.343 0.000 0.942 242 K CB -0.222 31.723 32.500 -0.925 0.000 0.724 242 K HN 0.284 nan 8.250 nan 0.000 0.446 243 L N -0.680 120.359 121.223 -0.307 0.000 2.056 243 L HA -0.138 4.204 4.340 0.003 0.000 0.207 243 L C 2.324 179.048 176.870 -0.244 0.000 1.078 243 L CA 1.151 55.762 54.840 -0.382 0.000 0.749 243 L CB -0.465 41.276 42.059 -0.529 0.000 0.901 243 L HN 0.055 nan 8.230 nan 0.000 0.433 244 F N 0.307 120.131 119.950 -0.210 0.000 2.161 244 F HA -0.269 4.260 4.527 0.003 0.000 0.300 244 F C 2.698 178.444 175.800 -0.090 0.000 1.089 244 F CA 1.577 59.495 58.000 -0.137 0.000 1.282 244 F CB -0.034 38.866 39.000 -0.167 0.000 1.010 244 F HN 0.145 nan 8.300 nan 0.000 0.485 245 E N 0.142 120.384 120.200 0.070 0.000 2.072 245 E HA -0.172 4.180 4.350 0.003 0.000 0.190 245 E C 2.238 178.814 176.600 -0.041 0.000 0.982 245 E CA 0.979 57.384 56.400 0.008 0.000 0.803 245 E CB 0.107 29.782 29.700 -0.041 0.000 0.755 245 E HN 0.249 nan 8.360 nan 0.000 0.453 246 I N 0.835 121.340 120.570 -0.109 0.000 2.277 246 I HA -0.103 4.069 4.170 0.003 0.000 0.243 246 I C 0.870 176.948 176.117 -0.066 0.000 1.094 246 I CA 1.007 62.235 61.300 -0.120 0.000 1.393 246 I CB -0.458 37.414 38.000 -0.213 0.000 1.078 246 I HN 0.045 nan 8.210 nan 0.000 0.417 247 D N 0.594 120.964 120.400 -0.050 0.000 2.443 247 D HA 0.226 4.868 4.640 0.003 0.000 0.281 247 D C -1.967 174.343 176.300 0.017 0.000 1.210 247 D CA -2.087 51.917 54.000 0.007 0.000 0.875 247 D CB 1.314 42.161 40.800 0.078 0.000 1.125 247 D HN -0.131 nan 8.370 nan 0.000 0.503 248 P HA -0.131 nan 4.420 nan 0.000 0.214 248 P C 1.149 178.487 177.300 0.064 0.000 1.163 248 P CA 0.812 63.979 63.100 0.112 0.000 0.889 248 P CB 0.394 32.167 31.700 0.122 0.000 0.790 249 D N -0.639 119.778 120.400 0.029 0.000 2.182 249 D HA -0.173 4.469 4.640 0.003 0.000 0.193 249 D C 2.250 178.516 176.300 -0.056 0.000 0.999 249 D CA 2.107 56.106 54.000 -0.001 0.000 0.850 249 D CB -0.911 39.878 40.800 -0.018 0.000 0.994 249 D HN 0.096 nan 8.370 nan 0.000 0.450 250 G N -0.313 108.414 108.800 -0.122 0.000 2.503 250 G HA2 -0.299 3.663 3.960 0.003 0.000 0.221 250 G HA3 -0.299 3.663 3.960 0.003 0.000 0.221 250 G C 1.629 176.359 174.900 -0.284 0.000 1.131 250 G CA 1.884 46.815 45.100 -0.282 0.000 0.756 250 G HN 0.297 nan 8.290 nan 0.000 0.572 251 T N 0.764 115.217 114.554 -0.169 0.000 2.732 251 T HA -0.076 4.276 4.350 0.003 0.000 0.261 251 T C 2.607 177.124 174.700 -0.304 0.000 1.040 251 T CA 1.280 63.188 62.100 -0.319 0.000 1.145 251 T CB -0.402 67.955 68.868 -0.852 0.000 0.866 251 T HN 0.103 nan 8.240 nan 0.000 0.427 252 V N 2.107 121.982 119.914 -0.066 0.000 2.287 252 V HA -0.178 3.945 4.120 0.003 0.000 0.248 252 V C 2.564 178.754 176.094 0.159 0.000 1.053 252 V CA 1.553 64.004 62.300 0.252 0.000 1.027 252 V CB -1.092 30.910 31.823 0.299 0.000 0.646 252 V HN 0.397 nan 8.190 nan 0.000 0.447 253 L N 0.256 121.505 121.223 0.043 0.000 2.051 253 L HA -0.266 4.076 4.340 0.003 0.000 0.214 253 L C 2.750 179.625 176.870 0.008 0.000 1.076 253 L CA 1.864 56.704 54.840 0.000 0.000 0.758 253 L CB -0.793 41.226 42.059 -0.068 0.000 0.890 253 L HN 0.409 nan 8.230 nan 0.000 0.433 254 A N -0.712 122.098 122.820 -0.015 0.000 1.898 254 A HA -0.236 4.086 4.320 0.003 0.000 0.216 254 A C 2.167 179.854 177.584 0.172 0.000 1.181 254 A CA 1.272 53.321 52.037 0.019 0.000 0.620 254 A CB -0.710 18.284 19.000 -0.011 0.000 0.819 254 A HN 0.382 nan 8.150 nan 0.000 0.442 255 F N 1.149 121.117 119.950 0.030 0.000 2.146 255 F HA -0.036 4.492 4.527 0.002 0.000 0.298 255 F C 2.539 178.453 175.800 0.190 0.000 1.096 255 F CA 0.672 58.760 58.000 0.146 0.000 1.275 255 F CB -0.936 38.218 39.000 0.256 0.000 1.008 255 F HN 0.262 nan 8.300 nan 0.000 0.480 256 A N -0.245 122.696 122.820 0.202 0.000 1.898 256 A HA -0.225 4.097 4.320 0.003 0.000 0.216 256 A C 1.990 179.635 177.584 0.101 0.000 1.181 256 A CA 1.857 53.980 52.037 0.144 0.000 0.620 256 A CB -1.205 17.870 19.000 0.125 0.000 0.819 256 A HN 0.425 nan 8.150 nan 0.000 0.442 257 D N -0.999 119.438 120.400 0.062 0.000 2.104 257 D HA -0.188 4.454 4.640 0.003 0.000 0.194 257 D C 1.972 178.300 176.300 0.047 0.000 0.994 257 D CA 1.718 55.726 54.000 0.013 0.000 0.830 257 D CB -0.127 40.667 40.800 -0.010 0.000 0.959 257 D HN 0.221 nan 8.370 nan 0.000 0.452 258 M N -0.433 119.237 119.600 0.117 0.000 2.117 258 M HA -0.105 4.377 4.480 0.003 0.000 0.262 258 M C 1.962 178.339 176.300 0.128 0.000 1.065 258 M CA 1.093 56.473 55.300 0.133 0.000 1.114 258 M CB -0.808 31.936 32.600 0.239 0.000 1.361 258 M HN 0.212 nan 8.290 nan 0.000 0.408 259 M N -0.861 118.838 119.600 0.164 0.000 2.132 259 M HA -0.085 4.397 4.480 0.003 0.000 0.263 259 M C 2.157 178.587 176.300 0.217 0.000 1.065 259 M CA 1.483 56.881 55.300 0.163 0.000 1.122 259 M CB -1.118 31.536 32.600 0.090 0.000 1.365 259 M HN 0.178 nan 8.290 nan 0.000 0.411 260 R N 0.122 120.756 120.500 0.225 0.000 2.096 260 R HA -0.173 4.169 4.340 0.003 0.000 0.240 260 R C 1.963 178.293 176.300 0.051 0.000 1.139 260 R CA 1.646 57.815 56.100 0.116 0.000 0.952 260 R CB -0.077 30.174 30.300 -0.082 0.000 0.854 260 R HN 0.327 nan 8.270 nan 0.000 0.436 261 K N 0.442 120.848 120.400 0.010 0.000 2.365 261 K HA -0.022 4.301 4.320 0.003 0.000 0.199 261 K C -0.300 176.286 176.600 -0.022 0.000 1.045 261 K CA 0.536 56.791 56.287 -0.053 0.000 0.962 261 K CB 0.062 32.502 32.500 -0.100 0.000 0.759 261 K HN 0.083 nan 8.250 nan 0.000 0.469 262 K N 0.326 120.757 120.400 0.052 0.000 7.265 262 K HA -0.185 4.137 4.320 0.003 0.000 0.656 262 K C -0.818 175.826 176.600 0.073 0.000 2.578 262 K CA 0.057 56.398 56.287 0.090 0.000 1.945 262 K CB -0.596 31.920 32.500 0.026 0.000 2.193 262 K HN -0.027 nan 8.250 nan 0.000 0.248 263 I N 2.873 123.513 120.570 0.115 0.000 2.517 263 I HA -0.032 4.140 4.170 0.003 0.000 0.285 263 I C 0.881 177.095 176.117 0.162 0.000 1.106 263 I CA 0.811 62.158 61.300 0.080 0.000 1.402 263 I CB 0.972 38.792 38.000 -0.300 0.000 1.399 263 I HN 0.488 nan 8.210 nan 0.000 0.535 264 S N 7.804 123.578 115.700 0.124 0.000 2.442 264 S HA 0.606 5.078 4.470 0.003 0.000 0.297 264 S C -0.115 174.509 174.600 0.040 0.000 1.131 264 S CA -1.123 57.047 58.200 -0.050 0.000 1.092 264 S CB 1.029 63.994 63.200 -0.392 0.000 0.998 264 S HN 0.354 nan 8.310 nan 0.000 0.478 265 M N 3.237 122.870 119.600 0.055 0.000 2.248 265 M HA 0.247 4.729 4.480 0.003 0.000 0.337 265 M C -1.798 174.591 176.300 0.149 0.000 1.121 265 M CA -2.392 53.026 55.300 0.197 0.000 1.155 265 M CB -0.534 32.304 32.600 0.396 0.000 1.514 265 M HN 0.413 nan 8.290 nan 0.000 0.452 266 P HA -0.015 nan 4.420 nan 0.000 0.228 266 P C 0.360 177.805 177.300 0.241 0.000 1.151 266 P CA 1.023 64.286 63.100 0.271 0.000 0.770 266 P CB 0.214 32.143 31.700 0.383 0.000 0.786 267 A N -0.575 122.380 122.820 0.225 0.000 2.574 267 A HA 0.077 4.399 4.320 0.003 0.000 0.283 267 A C 1.531 179.125 177.584 0.017 0.000 1.270 267 A CA -0.245 51.916 52.037 0.207 0.000 0.945 267 A CB -1.073 18.124 19.000 0.328 0.000 1.127 267 A HN 0.250 nan 8.150 nan 0.000 0.522 268 H N -0.115 118.677 119.070 -0.464 0.000 2.491 268 H HA 0.053 4.611 4.556 0.004 0.000 0.290 268 H C 0.887 176.072 175.328 -0.239 0.000 1.050 268 H CA 1.009 56.532 56.048 -0.875 0.000 1.309 268 H CB -0.424 28.827 29.762 -0.852 0.000 1.392 268 H HN 0.449 nan 8.280 nan 0.000 0.554 269 L N 0.619 121.598 121.223 -0.407 0.000 2.629 269 L HA 0.183 4.525 4.340 0.003 0.000 0.230 269 L C 0.956 177.834 176.870 0.014 0.000 1.151 269 L CA -0.354 54.333 54.840 -0.256 0.000 0.924 269 L CB -0.350 41.536 42.059 -0.289 0.000 1.137 269 L HN 0.110 nan 8.230 nan 0.000 0.457 270 M N 1.002 120.683 119.600 0.136 0.000 2.226 270 M HA -0.164 4.318 4.480 0.003 0.000 0.377 270 M C -0.884 175.595 176.300 0.299 0.000 1.309 270 M CA 1.282 56.750 55.300 0.280 0.000 0.874 270 M CB 0.098 32.952 32.600 0.425 0.000 1.902 270 M HN 0.093 nan 8.290 nan 0.000 0.485 271 Y N 4.040 124.405 120.300 0.109 0.000 2.474 271 Y HA 0.223 4.775 4.550 0.003 0.000 0.326 271 Y C -0.835 175.050 175.900 -0.026 0.000 1.160 271 Y CA -1.269 56.795 58.100 -0.060 0.000 1.056 271 Y CB 1.115 39.404 38.460 -0.285 0.000 1.330 271 Y HN 0.774 nan 8.280 nan 0.000 0.447 272 D N 1.842 121.897 120.400 -0.575 0.000 2.513 272 D HA 0.290 4.932 4.640 0.003 0.000 0.222 272 D C 1.350 177.373 176.300 -0.462 0.000 1.210 272 D CA 0.428 54.254 54.000 -0.289 0.000 0.825 272 D CB 0.492 41.245 40.800 -0.078 0.000 1.037 272 D HN 1.177 nan 8.370 nan 0.000 0.506 273 G N 0.869 108.888 108.800 -1.303 0.000 2.176 273 G HA2 -0.348 3.614 3.960 0.003 0.000 0.253 273 G HA3 -0.348 3.614 3.960 0.003 0.000 0.253 273 G C 1.213 175.995 174.900 -0.196 0.000 0.979 273 G CA 0.355 45.133 45.100 -0.538 0.000 0.641 273 G HN 0.440 nan 8.290 nan 0.000 0.530 274 R N -0.922 119.377 120.500 -0.334 0.000 2.551 274 R HA 0.173 4.516 4.340 0.003 0.000 0.202 274 R C -0.543 175.695 176.300 -0.102 0.000 0.861 274 R CA 0.262 56.281 56.100 -0.135 0.000 1.018 274 R CB 0.589 30.819 30.300 -0.117 0.000 1.435 274 R HN 0.246 nan 8.270 nan 0.000 0.659 275 D N 0.604 120.933 120.400 -0.118 0.000 2.471 275 D HA 0.105 4.747 4.640 0.003 0.000 0.245 275 D C -0.398 175.975 176.300 0.122 0.000 1.116 275 D CA -0.242 53.745 54.000 -0.021 0.000 0.853 275 D CB 1.510 42.254 40.800 -0.093 0.000 1.123 275 D HN -0.119 nan 8.370 nan 0.000 0.540 276 D N 2.549 123.021 120.400 0.119 0.000 2.363 276 D HA -0.019 4.623 4.640 0.003 0.000 0.220 276 D C -0.025 176.287 176.300 0.020 0.000 0.994 276 D CA 0.519 54.575 54.000 0.093 0.000 0.890 276 D CB 0.118 40.927 40.800 0.016 0.000 0.906 276 D HN 0.397 nan 8.370 nan 0.000 0.530 277 N N -0.009 118.669 118.700 -0.037 0.000 2.553 277 N HA 0.084 4.826 4.740 0.003 0.000 0.298 277 N C 0.910 176.251 175.510 -0.282 0.000 1.596 277 N CA -0.140 52.779 53.050 -0.219 0.000 0.910 277 N CB 0.941 39.157 38.487 -0.451 0.000 1.336 277 N HN -0.119 nan 8.380 nan 0.000 0.497 278 L N 0.021 121.256 121.223 0.019 0.000 2.046 278 L HA 0.026 4.368 4.340 0.003 0.000 0.208 278 L C 1.640 178.668 176.870 0.264 0.000 1.077 278 L CA 1.714 56.626 54.840 0.118 0.000 0.747 278 L CB -0.540 41.588 42.059 0.115 0.000 0.896 278 L HN 0.302 nan 8.230 nan 0.000 0.432 279 F N 0.551 120.608 119.950 0.178 0.000 2.075 279 F HA -0.227 4.302 4.527 0.003 0.000 0.297 279 F C 2.198 178.167 175.800 0.281 0.000 1.113 279 F CA 2.001 60.193 58.000 0.320 0.000 1.218 279 F CB -0.466 38.704 39.000 0.283 0.000 0.984 279 F HN 0.182 nan 8.300 nan 0.000 0.472 280 D N -0.706 119.777 120.400 0.137 0.000 2.133 280 D HA -0.213 4.429 4.640 0.003 0.000 0.195 280 D C 2.076 178.383 176.300 0.011 0.000 0.997 280 D CA 1.984 55.981 54.000 -0.005 0.000 0.840 280 D CB -0.585 40.166 40.800 -0.083 0.000 0.947 280 D HN 0.534 nan 8.370 nan 0.000 0.452 281 H N -1.424 117.723 119.070 0.128 0.000 2.363 281 H HA -0.036 4.522 4.556 0.003 0.000 0.301 281 H C 1.871 177.367 175.328 0.279 0.000 1.074 281 H CA 0.812 56.974 56.048 0.189 0.000 1.354 281 H CB -0.100 29.749 29.762 0.146 0.000 1.397 281 H HN 0.120 nan 8.280 nan 0.000 0.516 282 F N 1.753 121.847 119.950 0.240 0.000 2.134 282 F HA -0.188 4.341 4.527 0.003 0.000 0.299 282 F C 2.174 177.956 175.800 -0.031 0.000 1.097 282 F CA 1.279 59.345 58.000 0.110 0.000 1.264 282 F CB -0.457 38.660 39.000 0.195 0.000 1.001 282 F HN -0.080 nan 8.300 nan 0.000 0.479 283 S N 0.936 116.310 115.700 -0.543 0.000 2.368 283 S HA -0.133 4.339 4.470 0.003 0.000 0.225 283 S C 2.386 176.786 174.600 -0.334 0.000 1.030 283 S CA 1.066 58.875 58.200 -0.651 0.000 0.999 283 S CB -0.976 61.897 63.200 -0.545 0.000 0.844 283 S HN 0.588 nan 8.310 nan 0.000 0.459 284 A N 1.344 124.079 122.820 -0.143 0.000 1.908 284 A HA -0.071 4.251 4.320 0.003 0.000 0.218 284 A C 2.356 179.904 177.584 -0.059 0.000 1.181 284 A CA 1.682 53.690 52.037 -0.048 0.000 0.627 284 A CB -0.970 18.066 19.000 0.059 0.000 0.818 284 A HN 0.348 nan 8.150 nan 0.000 0.445 285 V N -0.080 119.800 119.914 -0.056 0.000 2.295 285 V HA -0.250 3.872 4.120 0.003 0.000 0.246 285 V C 3.071 179.088 176.094 -0.127 0.000 1.049 285 V CA 1.915 64.178 62.300 -0.062 0.000 1.024 285 V CB -1.471 30.314 31.823 -0.063 0.000 0.648 285 V HN 0.628 nan 8.190 nan 0.000 0.447 286 A N -0.011 122.651 122.820 -0.262 0.000 1.903 286 A HA -0.400 3.922 4.320 0.003 0.000 0.219 286 A C 2.259 179.750 177.584 -0.154 0.000 1.191 286 A CA 2.768 54.644 52.037 -0.268 0.000 0.638 286 A CB -0.663 18.052 19.000 -0.476 0.000 0.823 286 A HN 0.665 nan 8.150 nan 0.000 0.451 287 Q N -0.644 119.067 119.800 -0.149 0.000 2.079 287 Q HA -0.154 4.188 4.340 0.003 0.000 0.200 287 Q C 2.279 178.238 176.000 -0.068 0.000 0.974 287 Q CA 1.796 57.535 55.803 -0.108 0.000 0.840 287 Q CB -0.250 28.424 28.738 -0.108 0.000 0.898 287 Q HN 0.628 nan 8.270 nan 0.000 0.430 288 R N -0.168 120.301 120.500 -0.052 0.000 2.091 288 R HA -0.091 4.251 4.340 0.003 0.000 0.238 288 R C 2.003 178.294 176.300 -0.014 0.000 1.136 288 R CA 1.523 57.609 56.100 -0.023 0.000 0.959 288 R CB -0.199 30.098 30.300 -0.006 0.000 0.856 288 R HN 0.395 nan 8.270 nan 0.000 0.437 289 L N -0.768 120.444 121.223 -0.018 0.000 2.492 289 L HA 0.116 4.458 4.340 0.003 0.000 0.223 289 L C 1.213 178.077 176.870 -0.009 0.000 1.132 289 L CA 0.652 55.495 54.840 0.004 0.000 0.850 289 L CB 0.121 42.190 42.059 0.015 0.000 0.966 289 L HN 0.585 nan 8.230 nan 0.000 0.454 290 G N -0.550 108.232 108.800 -0.031 0.000 2.136 290 G HA2 -0.257 3.705 3.960 0.003 0.000 0.242 290 G HA3 -0.257 3.705 3.960 0.003 0.000 0.242 290 G C 0.713 175.592 174.900 -0.034 0.000 0.989 290 G CA 0.349 45.428 45.100 -0.035 0.000 0.682 290 G HN 0.130 nan 8.290 nan 0.000 0.522 291 V N -1.257 118.633 119.914 -0.039 0.000 2.323 291 V HA 0.206 4.328 4.120 0.003 0.000 0.244 291 V C 0.877 176.995 176.094 0.041 0.000 1.041 291 V CA 2.164 64.442 62.300 -0.037 0.000 1.025 291 V CB -0.092 31.679 31.823 -0.085 0.000 0.656 291 V HN 0.693 nan 8.190 nan 0.000 0.451 292 Y N 0.623 120.854 120.300 -0.116 0.000 2.298 292 Y HA 0.501 5.053 4.550 0.003 0.000 0.322 292 Y C -0.149 175.719 175.900 -0.054 0.000 1.138 292 Y CA -1.026 57.030 58.100 -0.073 0.000 1.127 292 Y CB 1.189 39.610 38.460 -0.065 0.000 1.178 292 Y HN 0.152 nan 8.280 nan 0.000 0.428 293 T N 1.073 115.376 114.554 -0.420 0.000 2.949 293 T HA 0.710 5.062 4.350 0.003 0.000 0.287 293 T C 1.120 175.566 174.700 -0.423 0.000 1.034 293 T CA -0.270 61.627 62.100 -0.338 0.000 1.018 293 T CB 1.679 70.448 68.868 -0.166 0.000 1.135 293 T HN 0.776 nan 8.240 nan 0.000 0.532 294 A N 0.716 123.394 122.820 -0.236 0.000 1.940 294 A HA -0.081 4.241 4.320 0.003 0.000 0.219 294 A C 2.291 179.847 177.584 -0.046 0.000 1.176 294 A CA 1.727 53.681 52.037 -0.138 0.000 0.631 294 A CB -0.948 17.996 19.000 -0.094 0.000 0.814 294 A HN 0.864 nan 8.150 nan 0.000 0.446 295 K N -0.212 120.149 120.400 -0.064 0.000 2.063 295 K HA -0.208 4.114 4.320 0.003 0.000 0.208 295 K C 1.332 177.931 176.600 -0.002 0.000 1.048 295 K CA 1.882 58.157 56.287 -0.019 0.000 0.928 295 K CB -0.375 32.106 32.500 -0.031 0.000 0.713 295 K HN 0.485 nan 8.250 nan 0.000 0.442 296 D N -0.288 120.074 120.400 -0.063 0.000 2.084 296 D HA -0.195 4.447 4.640 0.003 0.000 0.194 296 D C 1.814 178.158 176.300 0.074 0.000 0.990 296 D CA 1.032 55.020 54.000 -0.021 0.000 0.826 296 D CB -0.610 40.164 40.800 -0.043 0.000 0.971 296 D HN 0.282 nan 8.370 nan 0.000 0.453 297 Y N 1.796 122.065 120.300 -0.051 0.000 2.181 297 Y HA -0.333 4.219 4.550 0.004 0.000 0.284 297 Y C 2.260 178.330 175.900 0.283 0.000 1.179 297 Y CA 2.167 60.410 58.100 0.237 0.000 1.179 297 Y CB -0.161 38.419 38.460 0.199 0.000 0.973 297 Y HN -0.032 nan 8.280 nan 0.000 0.519 298 A N 0.060 123.067 122.820 0.311 0.000 1.855 298 A HA -0.190 4.132 4.320 0.003 0.000 0.215 298 A C 1.931 179.576 177.584 0.101 0.000 1.191 298 A CA 1.849 54.009 52.037 0.205 0.000 0.613 298 A CB -0.953 18.141 19.000 0.157 0.000 0.829 298 A HN 0.515 nan 8.150 nan 0.000 0.442 299 D N 0.234 120.672 120.400 0.063 0.000 2.190 299 D HA -0.162 4.480 4.640 0.003 0.000 0.200 299 D C 1.871 178.176 176.300 0.009 0.000 0.992 299 D CA 1.097 55.118 54.000 0.034 0.000 0.854 299 D CB -0.268 40.538 40.800 0.010 0.000 0.936 299 D HN 0.478 nan 8.370 nan 0.000 0.462 300 I N 0.639 121.155 120.570 -0.089 0.000 2.113 300 I HA -0.222 3.950 4.170 0.003 0.000 0.238 300 I C 2.594 178.653 176.117 -0.096 0.000 1.070 300 I CA 0.926 62.063 61.300 -0.272 0.000 1.332 300 I CB -1.047 36.421 38.000 -0.887 0.000 1.044 300 I HN 0.085 nan 8.210 nan 0.000 0.402 301 L N 0.013 121.268 121.223 0.052 0.000 2.291 301 L HA -0.053 4.289 4.340 0.003 0.000 0.214 301 L C 2.411 179.416 176.870 0.225 0.000 1.120 301 L CA 1.430 56.453 54.840 0.305 0.000 0.799 301 L CB -0.817 41.523 42.059 0.468 0.000 0.925 301 L HN 0.239 nan 8.230 nan 0.000 0.446 302 E N 0.473 120.756 120.200 0.138 0.000 2.047 302 E HA -0.293 4.059 4.350 0.003 0.000 0.191 302 E C 2.035 178.684 176.600 0.082 0.000 0.987 302 E CA 1.540 58.001 56.400 0.101 0.000 0.799 302 E CB -0.505 29.244 29.700 0.081 0.000 0.752 302 E HN 0.503 nan 8.360 nan 0.000 0.449 303 F N 1.284 121.194 119.950 -0.067 0.000 2.126 303 F HA -0.168 4.361 4.527 0.005 0.000 0.299 303 F C 1.854 177.528 175.800 -0.210 0.000 1.096 303 F CA 1.628 59.550 58.000 -0.130 0.000 1.255 303 F CB -0.158 38.748 39.000 -0.156 0.000 0.997 303 F HN 0.054 nan 8.300 nan 0.000 0.479 304 L N -0.786 120.331 121.223 -0.177 0.000 2.093 304 L HA -0.185 4.157 4.340 0.003 0.000 0.208 304 L C 2.307 179.036 176.870 -0.234 0.000 1.085 304 L CA 0.842 55.383 54.840 -0.498 0.000 0.755 304 L CB -0.682 41.193 42.059 -0.307 0.000 0.904 304 L HN 0.025 nan 8.230 nan 0.000 0.435 305 V N -0.119 119.869 119.914 0.123 0.000 2.548 305 V HA -0.131 3.991 4.120 0.003 0.000 0.249 305 V C 2.525 178.617 176.094 -0.003 0.000 1.055 305 V CA 1.707 64.134 62.300 0.212 0.000 1.065 305 V CB -0.922 31.024 31.823 0.205 0.000 0.681 305 V HN 0.541 nan 8.190 nan 0.000 0.462 306 G N -0.338 108.388 108.800 -0.124 0.000 2.434 306 G HA2 -0.228 3.734 3.960 0.003 0.000 0.214 306 G HA3 -0.228 3.734 3.960 0.003 0.000 0.214 306 G C 1.735 176.449 174.900 -0.311 0.000 1.202 306 G CA 0.437 45.421 45.100 -0.194 0.000 0.788 306 G HN 0.237 nan 8.290 nan 0.000 0.539 307 R N -0.191 119.956 120.500 -0.589 0.000 2.096 307 R HA -0.074 4.268 4.340 0.003 0.000 0.240 307 R C 1.997 178.067 176.300 -0.383 0.000 1.139 307 R CA 1.027 56.731 56.100 -0.660 0.000 0.952 307 R CB -0.570 29.071 30.300 -1.098 0.000 0.854 307 R HN 0.517 nan 8.270 nan 0.000 0.436 308 W N 1.294 122.421 121.300 -0.288 0.000 3.405 308 W HA 0.153 4.814 4.660 0.002 0.000 0.300 308 W C 0.286 176.557 176.519 -0.414 0.000 1.286 308 W CA -0.446 56.665 57.345 -0.389 0.000 1.762 308 W CB -0.520 28.588 29.460 -0.587 0.000 1.087 308 W HN 0.129 nan 8.180 nan 0.000 0.703 309 K N -0.180 120.165 120.400 -0.092 0.000 3.213 309 K HA -0.231 4.091 4.320 0.003 0.000 0.266 309 K C 1.015 177.561 176.600 -0.090 0.000 0.911 309 K CA 0.280 56.518 56.287 -0.083 0.000 0.684 309 K CB -1.285 31.177 32.500 -0.064 0.000 1.402 309 K HN -0.033 nan 8.250 nan 0.000 0.465 310 V N 0.737 120.607 119.914 -0.073 0.000 2.343 310 V HA -0.322 3.800 4.120 0.003 0.000 0.247 310 V C 2.381 178.484 176.094 0.015 0.000 1.051 310 V CA 2.297 64.574 62.300 -0.038 0.000 1.036 310 V CB -0.389 31.503 31.823 0.115 0.000 0.654 310 V HN 0.642 nan 8.190 nan 0.000 0.451 311 D N 0.511 120.922 120.400 0.017 0.000 2.182 311 D HA -0.274 4.368 4.640 0.003 0.000 0.201 311 D C 1.849 178.155 176.300 0.011 0.000 0.986 311 D CA 1.286 55.296 54.000 0.018 0.000 0.847 311 D CB -0.192 40.615 40.800 0.011 0.000 0.942 311 D HN 0.369 nan 8.370 nan 0.000 0.467 312 K N -0.273 120.125 120.400 -0.003 0.000 2.459 312 K HA 0.178 4.500 4.320 0.003 0.000 0.193 312 K C 0.628 177.232 176.600 0.006 0.000 1.030 312 K CA -0.212 56.074 56.287 -0.002 0.000 1.026 312 K CB 0.138 32.631 32.500 -0.012 0.000 0.809 312 K HN 0.105 nan 8.250 nan 0.000 0.504 313 L N 1.142 122.372 121.223 0.012 0.000 2.456 313 L HA 0.064 4.406 4.340 0.003 0.000 0.272 313 L C 0.334 177.227 176.870 0.037 0.000 1.189 313 L CA 0.290 55.150 54.840 0.033 0.000 0.846 313 L CB 0.889 42.984 42.059 0.060 0.000 1.111 313 L HN 0.168 nan 8.230 nan 0.000 0.475 314 T N -1.083 113.494 114.554 0.038 0.000 2.696 314 T HA 0.603 4.955 4.350 0.003 0.000 0.291 314 T C 0.079 174.800 174.700 0.035 0.000 1.095 314 T CA -0.438 61.682 62.100 0.034 0.000 1.026 314 T CB 1.297 70.180 68.868 0.025 0.000 1.390 314 T HN 0.911 nan 8.240 nan 0.000 0.513 315 G N 0.726 109.543 108.800 0.029 0.000 2.269 315 G HA2 -0.060 3.902 3.960 0.003 0.000 0.237 315 G HA3 -0.060 3.902 3.960 0.003 0.000 0.237 315 G C -0.521 174.398 174.900 0.031 0.000 0.761 315 G CA 0.350 45.465 45.100 0.026 0.000 1.141 315 G HN 0.782 nan 8.290 nan 0.000 0.319 316 L N 0.634 121.876 121.223 0.032 0.000 2.250 316 L HA 0.836 5.178 4.340 0.003 0.000 0.252 316 L C 0.903 177.786 176.870 0.022 0.000 1.054 316 L CA -0.791 54.069 54.840 0.033 0.000 0.856 316 L CB 1.669 43.758 42.059 0.049 0.000 1.443 316 L HN 0.574 nan 8.230 nan 0.000 0.427 317 S N -0.150 115.559 115.700 0.016 0.000 2.617 317 S HA 0.455 4.927 4.470 0.003 0.000 0.269 317 S C 1.166 175.771 174.600 0.008 0.000 1.292 317 S CA -0.019 58.185 58.200 0.007 0.000 1.010 317 S CB 1.513 64.711 63.200 -0.003 0.000 0.944 317 S HN 0.788 nan 8.310 nan 0.000 0.536 318 A N 1.457 124.279 122.820 0.003 0.000 1.929 318 A HA -0.238 4.084 4.320 0.003 0.000 0.221 318 A C 2.075 179.661 177.584 0.003 0.000 1.211 318 A CA 2.508 54.547 52.037 0.003 0.000 0.657 318 A CB -1.565 17.433 19.000 -0.003 0.000 0.827 318 A HN 0.936 nan 8.150 nan 0.000 0.462 319 E N -0.529 119.669 120.200 -0.004 0.000 2.150 319 E HA -0.002 4.350 4.350 0.003 0.000 0.193 319 E C 2.055 178.659 176.600 0.007 0.000 0.985 319 E CA 1.117 57.513 56.400 -0.007 0.000 0.814 319 E CB -0.767 28.920 29.700 -0.021 0.000 0.752 319 E HN 0.500 nan 8.360 nan 0.000 0.466 320 G N -0.103 108.707 108.800 0.018 0.000 2.402 320 G HA2 -0.298 3.664 3.960 0.003 0.000 0.216 320 G HA3 -0.298 3.664 3.960 0.003 0.000 0.216 320 G C 1.521 176.455 174.900 0.057 0.000 1.162 320 G CA 0.743 45.868 45.100 0.042 0.000 0.777 320 G HN 0.223 nan 8.290 nan 0.000 0.539 321 Q N 0.256 120.082 119.800 0.044 0.000 1.998 321 Q HA -0.125 4.217 4.340 0.003 0.000 0.209 321 Q C 2.448 178.481 176.000 0.055 0.000 1.002 321 Q CA 2.125 57.956 55.803 0.046 0.000 0.858 321 Q CB -0.308 28.449 28.738 0.032 0.000 0.932 321 Q HN 0.575 nan 8.270 nan 0.000 0.416 322 K N -0.502 119.925 120.400 0.044 0.000 2.063 322 K HA -0.148 4.174 4.320 0.003 0.000 0.208 322 K C 1.930 178.580 176.600 0.084 0.000 1.048 322 K CA 1.302 57.620 56.287 0.051 0.000 0.928 322 K CB -0.269 32.242 32.500 0.018 0.000 0.713 322 K HN 0.222 nan 8.250 nan 0.000 0.442 323 A N 1.259 124.122 122.820 0.071 0.000 1.908 323 A HA -0.266 4.056 4.320 0.003 0.000 0.218 323 A C 2.172 179.848 177.584 0.154 0.000 1.181 323 A CA 1.845 53.945 52.037 0.105 0.000 0.627 323 A CB -0.761 18.287 19.000 0.081 0.000 0.818 323 A HN 0.638 nan 8.150 nan 0.000 0.445 324 Q N -0.510 119.370 119.800 0.134 0.000 2.020 324 Q HA -0.272 4.070 4.340 0.003 0.000 0.202 324 Q C 1.813 177.872 176.000 0.100 0.000 0.982 324 Q CA 2.166 58.049 55.803 0.133 0.000 0.838 324 Q CB -0.327 28.482 28.738 0.117 0.000 0.899 324 Q HN 0.649 nan 8.270 nan 0.000 0.423 325 D N -0.998 119.458 120.400 0.093 0.000 2.117 325 D HA -0.213 4.429 4.640 0.003 0.000 0.197 325 D C 1.791 178.140 176.300 0.081 0.000 0.987 325 D CA 1.306 55.351 54.000 0.075 0.000 0.829 325 D CB -0.244 40.598 40.800 0.071 0.000 0.961 325 D HN 0.430 nan 8.370 nan 0.000 0.460 326 Y N 0.268 120.565 120.300 -0.005 0.000 2.128 326 Y HA -0.183 4.369 4.550 0.003 0.000 0.284 326 Y C 2.046 177.920 175.900 -0.043 0.000 1.154 326 Y CA 1.323 59.411 58.100 -0.019 0.000 1.149 326 Y CB -0.600 37.846 38.460 -0.024 0.000 0.976 326 Y HN -0.085 nan 8.280 nan 0.000 0.505 327 V N -0.962 118.893 119.914 -0.099 0.000 2.515 327 V HA -0.300 3.822 4.120 0.003 0.000 0.250 327 V C 2.470 178.447 176.094 -0.195 0.000 1.058 327 V CA 1.832 63.963 62.300 -0.281 0.000 1.064 327 V CB -0.709 30.944 31.823 -0.285 0.000 0.675 327 V HN 0.703 nan 8.190 nan 0.000 0.461 328 C N -0.701 118.554 119.300 -0.074 0.000 2.457 328 C HA -0.046 4.416 4.460 0.003 0.000 0.278 328 C C 2.615 177.572 174.990 -0.055 0.000 1.309 328 C CA 0.661 59.661 59.018 -0.029 0.000 1.735 328 C CB -1.047 26.700 27.740 0.011 0.000 1.992 328 C HN 0.475 nan 8.230 nan 0.000 0.493 329 R N -0.097 120.352 120.500 -0.085 0.000 2.317 329 R HA 0.125 4.467 4.340 0.003 0.000 0.208 329 R C 1.701 177.927 176.300 -0.124 0.000 0.914 329 R CA -0.071 55.984 56.100 -0.075 0.000 1.060 329 R CB -0.127 30.150 30.300 -0.038 0.000 1.015 329 R HN 0.347 nan 8.270 nan 0.000 0.498 330 L N 1.267 122.355 121.223 -0.226 0.000 2.027 330 L HA 0.021 4.363 4.340 0.003 0.000 0.206 330 L C -1.099 175.715 176.870 -0.093 0.000 1.074 330 L CA 1.783 56.468 54.840 -0.258 0.000 0.745 330 L CB -0.631 41.148 42.059 -0.467 0.000 0.898 330 L HN -0.013 nan 8.230 nan 0.000 0.433 331 P HA -0.104 nan 4.420 nan 0.000 0.214 331 P C -1.341 175.972 177.300 0.021 0.000 1.163 331 P CA 1.935 65.048 63.100 0.022 0.000 0.883 331 P CB -1.183 30.538 31.700 0.035 0.000 0.788 332 P HA -0.163 nan 4.420 nan 0.000 0.216 332 P C 1.688 178.993 177.300 0.008 0.000 1.153 332 P CA 1.543 64.648 63.100 0.008 0.000 0.858 332 P CB -0.302 31.399 31.700 0.002 0.000 0.789 333 R N -0.230 120.270 120.500 -0.001 0.000 2.070 333 R HA -0.106 4.236 4.340 0.003 0.000 0.233 333 R C 2.190 178.499 176.300 0.015 0.000 1.137 333 R CA 1.454 57.557 56.100 0.004 0.000 0.945 333 R CB -0.795 29.503 30.300 -0.003 0.000 0.845 333 R HN 0.054 nan 8.270 nan 0.000 0.430 334 I N 0.950 121.535 120.570 0.024 0.000 2.315 334 I HA -0.294 3.879 4.170 0.003 0.000 0.251 334 I C 2.464 178.608 176.117 0.045 0.000 1.125 334 I CA 1.326 62.656 61.300 0.050 0.000 1.392 334 I CB -0.714 37.354 38.000 0.112 0.000 1.065 334 I HN 0.233 nan 8.210 nan 0.000 0.424 335 R N 0.978 121.502 120.500 0.041 0.000 2.070 335 R HA -0.136 4.206 4.340 0.003 0.000 0.232 335 R C 2.492 178.802 176.300 0.017 0.000 1.138 335 R CA 1.418 57.537 56.100 0.031 0.000 0.936 335 R CB -0.135 30.181 30.300 0.027 0.000 0.839 335 R HN 0.183 nan 8.270 nan 0.000 0.429 336 R N 0.280 120.788 120.500 0.014 0.000 2.075 336 R HA -0.121 4.221 4.340 0.003 0.000 0.230 336 R C 2.231 178.536 176.300 0.008 0.000 1.140 336 R CA 1.197 57.303 56.100 0.010 0.000 0.928 336 R CB -1.493 28.812 30.300 0.009 0.000 0.834 336 R HN 0.201 nan 8.270 nan 0.000 0.429 337 L N 1.863 123.092 121.223 0.010 0.000 2.082 337 L HA -0.232 4.110 4.340 0.003 0.000 0.223 337 L C 1.688 178.558 176.870 0.000 0.000 1.086 337 L CA 1.903 56.747 54.840 0.007 0.000 0.793 337 L CB -0.454 41.611 42.059 0.010 0.000 0.896 337 L HN 0.325 nan 8.230 nan 0.000 0.441 338 E N -0.978 119.222 120.200 -0.001 0.000 2.499 338 E HA 0.014 4.366 4.350 0.003 0.000 0.199 338 E C 0.836 177.428 176.600 -0.013 0.000 1.016 338 E CA 0.261 56.653 56.400 -0.012 0.000 0.933 338 E CB 0.324 30.010 29.700 -0.023 0.000 1.050 338 E HN 0.622 nan 8.360 nan 0.000 0.462 339 E N 0.531 120.727 120.200 -0.006 0.000 2.501 339 E HA -0.003 4.349 4.350 0.003 0.000 0.201 339 E C 0.685 177.282 176.600 -0.006 0.000 1.016 339 E CA -0.085 56.310 56.400 -0.007 0.000 0.920 339 E CB -0.042 29.656 29.700 -0.003 0.000 1.023 339 E HN -0.050 nan 8.360 nan 0.000 0.474 340 R N 1.264 121.761 120.500 -0.005 0.000 4.394 340 R HA 0.468 4.810 4.340 0.003 0.000 0.257 340 R C -0.143 176.154 176.300 -0.005 0.000 1.727 340 R CA 0.060 56.157 56.100 -0.004 0.000 1.497 340 R CB -0.330 29.970 30.300 -0.001 0.000 1.406 340 R HN 0.123 nan 8.270 nan 0.000 0.745 341 A N 1.839 124.654 122.820 -0.008 0.000 2.897 341 A HA 0.033 4.355 4.320 0.003 0.000 0.287 341 A C 0.670 178.251 177.584 -0.004 0.000 1.748 341 A CA -0.022 52.010 52.037 -0.009 0.000 1.397 341 A CB 0.050 19.042 19.000 -0.014 0.000 1.049 341 A HN 0.422 nan 8.150 nan 0.000 0.592 342 Q N 1.347 121.146 119.800 -0.002 0.000 2.652 342 Q HA 0.070 4.412 4.340 0.003 0.000 0.211 342 Q C 2.198 178.199 176.000 0.002 0.000 0.858 342 Q CA 1.118 56.922 55.803 0.000 0.000 0.895 342 Q CB -0.656 28.082 28.738 0.001 0.000 1.194 342 Q HN 0.719 nan 8.270 nan 0.000 0.645 343 G N 2.208 111.010 108.800 0.003 0.000 2.450 343 G HA2 -0.287 3.675 3.960 0.003 0.000 0.220 343 G HA3 -0.287 3.675 3.960 0.003 0.000 0.220 343 G C 1.538 176.442 174.900 0.006 0.000 1.130 343 G CA 1.574 46.676 45.100 0.005 0.000 0.760 343 G HN 0.301 nan 8.290 nan 0.000 0.557 344 R N -0.774 119.729 120.500 0.005 0.000 2.307 344 R HA 0.551 4.893 4.340 0.003 0.000 0.200 344 R C 1.753 178.056 176.300 0.004 0.000 0.893 344 R CA 0.989 57.093 56.100 0.007 0.000 1.042 344 R CB -0.320 29.986 30.300 0.009 0.000 1.059 344 R HN 0.058 nan 8.270 nan 0.000 0.530 345 A N 0.244 123.064 122.820 0.001 0.000 2.412 345 A HA 0.381 4.703 4.320 0.003 0.000 0.253 345 A C 0.632 178.217 177.584 0.002 0.000 1.334 345 A CA 0.004 52.041 52.037 -0.000 0.000 0.929 345 A CB -0.199 18.799 19.000 -0.005 0.000 0.983 345 A HN 0.325 nan 8.150 nan 0.000 0.508 346 K N -1.142 119.261 120.400 0.005 0.000 3.001 346 K HA 0.096 4.418 4.320 0.003 0.000 0.241 346 K C -0.185 176.419 176.600 0.007 0.000 2.102 346 K CA 0.417 56.708 56.287 0.006 0.000 1.314 346 K CB 0.267 32.770 32.500 0.004 0.000 2.395 346 K HN 0.191 nan 8.250 nan 0.000 0.470 347 E N 1.920 122.123 120.200 0.006 0.000 2.351 347 E HA 0.297 4.650 4.350 0.003 0.000 0.236 347 E C -0.745 175.859 176.600 0.007 0.000 1.341 347 E CA -0.188 56.216 56.400 0.006 0.000 1.579 347 E CB 0.512 30.214 29.700 0.004 0.000 1.393 347 E HN 0.298 nan 8.360 nan 0.000 0.438 348 A N 2.689 125.515 122.820 0.009 0.000 2.488 348 A HA 0.306 4.628 4.320 0.003 0.000 0.249 348 A C -1.696 175.893 177.584 0.007 0.000 1.083 348 A CA -1.194 50.850 52.037 0.011 0.000 0.768 348 A CB -0.035 18.976 19.000 0.018 0.000 1.017 348 A HN 0.151 nan 8.150 nan 0.000 0.496 349 P HA 0.193 nan 4.420 nan 0.000 0.273 349 P C -0.056 177.236 177.300 -0.013 0.000 1.250 349 P CA -0.080 63.011 63.100 -0.016 0.000 0.793 349 P CB 0.577 32.256 31.700 -0.036 0.000 1.011 350 T N 0.818 115.362 114.554 -0.016 0.000 2.907 350 T HA 0.614 4.966 4.350 0.003 0.000 0.284 350 T C -0.215 174.458 174.700 -0.046 0.000 1.004 350 T CA -0.302 61.797 62.100 -0.002 0.000 1.063 350 T CB 0.030 68.905 68.868 0.012 0.000 0.992 350 T HN 0.484 nan 8.240 nan 0.000 0.483 351 M N 5.915 125.490 119.600 -0.041 0.000 2.371 351 M HA 0.544 5.027 4.480 0.003 0.000 0.287 351 M C -2.772 173.430 176.300 -0.162 0.000 1.149 351 M CA -1.719 53.472 55.300 -0.182 0.000 0.929 351 M CB 2.448 34.830 32.600 -0.364 0.000 1.683 351 M HN 0.234 nan 8.290 nan 0.000 0.470 352 P HA 0.332 nan 4.420 nan 0.000 0.274 352 P C -1.492 175.585 177.300 -0.371 0.000 1.231 352 P CA 0.212 63.227 63.100 -0.141 0.000 0.790 352 P CB 0.297 31.928 31.700 -0.115 0.000 0.951 353 F N -0.053 119.852 119.950 -0.075 0.000 2.562 353 F HA 0.146 4.675 4.527 0.003 0.000 0.319 353 F C 1.703 177.422 175.800 -0.134 0.000 1.154 353 F CA -0.305 57.598 58.000 -0.161 0.000 0.931 353 F CB 1.667 40.590 39.000 -0.127 0.000 1.198 353 F HN 0.249 nan 8.300 nan 0.000 0.444 354 S N 2.508 118.163 115.700 -0.076 0.000 2.419 354 S HA -0.177 4.295 4.470 0.003 0.000 0.233 354 S C 1.558 176.180 174.600 0.037 0.000 1.016 354 S CA 0.825 59.000 58.200 -0.042 0.000 0.974 354 S CB -0.278 62.878 63.200 -0.073 0.000 0.786 354 S HN 0.706 nan 8.310 nan 0.000 0.492 355 W N 2.477 123.798 121.300 0.035 0.000 2.421 355 W HA 0.194 4.856 4.660 0.003 0.000 0.270 355 W C 1.480 177.917 176.519 -0.137 0.000 1.233 355 W CA 0.065 57.380 57.345 -0.050 0.000 1.226 355 W CB -0.833 28.643 29.460 0.027 0.000 1.121 355 W HN 0.545 nan 8.180 nan 0.000 0.579 356 I N -5.415 115.250 120.570 0.158 0.000 3.176 356 I HA 0.321 4.493 4.170 0.003 0.000 0.339 356 I C -0.342 175.909 176.117 0.224 0.000 1.505 356 I CA -0.826 60.558 61.300 0.139 0.000 0.969 356 I CB -0.930 37.198 38.000 0.214 0.000 1.636 356 I HN -0.248 nan 8.210 nan 0.000 0.523 357 F N 0.887 120.900 119.950 0.106 0.000 3.093 357 F HA -0.283 4.246 4.527 0.004 0.000 0.287 357 F C 0.740 176.574 175.800 0.056 0.000 0.882 357 F CA 1.210 59.249 58.000 0.065 0.000 1.063 357 F CB -2.227 36.794 39.000 0.034 0.000 1.097 357 F HN 0.589 nan 8.300 nan 0.000 0.604 358 D N -1.453 119.042 120.400 0.158 0.000 3.077 358 D HA -0.234 4.408 4.640 0.003 0.000 0.217 358 D C 0.857 177.228 176.300 0.119 0.000 1.162 358 D CA 1.251 55.313 54.000 0.102 0.000 0.943 358 D CB -0.510 40.331 40.800 0.068 0.000 1.122 358 D HN 0.554 nan 8.370 nan 0.000 0.413 359 R N 0.203 120.805 120.500 0.169 0.000 2.861 359 R HA 0.215 4.557 4.340 0.003 0.000 0.268 359 R C 0.954 177.351 176.300 0.161 0.000 1.027 359 R CA 0.427 56.615 56.100 0.147 0.000 1.163 359 R CB 0.481 30.875 30.300 0.158 0.000 1.060 359 R HN 0.225 nan 8.270 nan 0.000 0.483 360 Q N 0.338 120.218 119.800 0.134 0.000 2.351 360 Q HA 0.587 4.929 4.340 0.003 0.000 0.273 360 Q C -0.929 175.168 176.000 0.161 0.000 1.077 360 Q CA -0.978 54.911 55.803 0.144 0.000 0.843 360 Q CB 2.556 31.336 28.738 0.071 0.000 1.367 360 Q HN 0.449 nan 8.270 nan 0.000 0.449 361 V N -2.476 117.558 119.914 0.200 0.000 3.087 361 V HA 0.526 4.648 4.120 0.003 0.000 0.306 361 V C -0.755 175.424 176.094 0.142 0.000 1.187 361 V CA -1.261 61.134 62.300 0.159 0.000 0.999 361 V CB 1.833 33.744 31.823 0.146 0.000 1.049 361 V HN 0.689 nan 8.190 nan 0.000 0.431 362 K N 0.999 121.455 120.400 0.094 0.000 2.276 362 K HA 0.463 4.785 4.320 0.003 0.000 0.259 362 K C -0.998 175.652 176.600 0.082 0.000 1.001 362 K CA -0.363 55.966 56.287 0.069 0.000 0.927 362 K CB 0.768 33.297 32.500 0.049 0.000 0.969 362 K HN 0.579 nan 8.250 nan 0.000 0.490 363 L N 0.000 121.260 121.223 0.062 0.000 2.949 363 L HA 0.000 4.342 4.340 0.003 0.000 0.249 363 L CA 0.000 54.883 54.840 0.072 0.000 0.813 363 L CB 0.000 42.096 42.059 0.061 0.000 0.961 363 L HN 0.000 nan 8.230 nan 0.000 0.502