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 1agm_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATLDSWLSNE ATVARTAILN NIGADGAWVS GADSGIVVAS PSTDNPDYFY DATA SEQUENCE TWTRDSGLVI KTLVDLFRNG DTDLLSTIEH YISSQAIIQG VSNPSGDLSS DATA SEQUENCE GXGLGEPKFN VDETAYTGSW GRPQRDGPAL RATAMIGFGQ WLLDNGYTSA DATA SEQUENCE ATEIVWPLVR NDLSYVAQYW NQTGYDLWEE VNGSSFFTIA VQHRALVEGS DATA SEQUENCE AFATAVGSSC SWCDSQAPQI LcYLQSFWTG SYILANFDSS RSGKDTNTLL DATA SEQUENCE GSIHTFDPEA GcDDSTFQPc SPRALANHKE VVDSFRSIYT LNDGLSDSEA DATA SEQUENCE VAVGRYPEDS YYNGNPWFLC TLAAAEQLYD ALYQWDKQGS LEITDVSLDF DATA SEQUENCE FKALYSGAAT GTYSSSSSTY SSIVSAVKTF ADGFVSIVET HAASNGSLSE DATA SEQUENCE QFDKSDGDEL SARDLTWSYA ALLTANNRRN SVVPPSWGET SASSVPGTcA DATA SEQUENCE ATSASGTYSS VTVTSWPSIV A 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.619 177.584 0.059 0.000 1.274 1 A CA 0.000 52.066 52.037 0.048 0.000 0.836 1 A CB 0.000 19.021 19.000 0.036 0.000 0.831 2 T N -0.427 114.159 114.554 0.053 0.000 2.732 2 T HA -0.059 4.290 4.350 -0.002 0.000 0.261 2 T C 1.888 176.660 174.700 0.120 0.000 1.040 2 T CA 2.266 64.404 62.100 0.063 0.000 1.145 2 T CB -0.494 68.381 68.868 0.011 0.000 0.866 2 T HN 0.557 nan 8.240 nan 0.000 0.427 3 L N 1.515 122.799 121.223 0.101 0.000 1.956 3 L HA -0.064 4.275 4.340 -0.002 0.000 0.216 3 L C 2.169 179.159 176.870 0.200 0.000 1.073 3 L CA 2.468 57.400 54.840 0.155 0.000 0.762 3 L CB -1.185 40.941 42.059 0.112 0.000 0.889 3 L HN 0.341 nan 8.230 nan 0.000 0.433 4 D N -1.255 119.226 120.400 0.134 0.000 2.116 4 D HA -0.219 4.420 4.640 -0.002 0.000 0.193 4 D C 2.352 178.711 176.300 0.099 0.000 0.998 4 D CA 1.820 55.882 54.000 0.102 0.000 0.836 4 D CB -0.184 40.658 40.800 0.070 0.000 0.951 4 D HN 0.547 nan 8.370 nan 0.000 0.449 5 S N -0.840 114.925 115.700 0.109 0.000 2.371 5 S HA -0.187 4.282 4.470 -0.002 0.000 0.224 5 S C 1.966 176.636 174.600 0.116 0.000 1.029 5 S CA 0.564 58.818 58.200 0.089 0.000 0.978 5 S CB -0.912 62.333 63.200 0.076 0.000 0.833 5 S HN 0.559 nan 8.310 nan 0.000 0.466 6 W N 2.022 123.326 121.300 0.007 0.000 2.358 6 W HA 0.060 4.719 4.660 -0.002 0.000 0.303 6 W C 1.887 178.412 176.519 0.010 0.000 1.208 6 W CA 1.248 58.596 57.345 0.005 0.000 1.274 6 W CB -0.359 29.102 29.460 0.003 0.000 1.138 6 W HN 0.270 nan 8.180 nan 0.000 0.515 7 L N -0.223 121.080 121.223 0.134 0.000 2.083 7 L HA -0.250 4.089 4.340 -0.002 0.000 0.209 7 L C 2.689 179.469 176.870 -0.150 0.000 1.083 7 L CA 1.586 56.405 54.840 -0.034 0.000 0.752 7 L CB -1.035 41.095 42.059 0.117 0.000 0.899 7 L HN -0.125 nan 8.230 nan 0.000 0.433 8 S N -0.443 115.204 115.700 -0.088 0.000 2.368 8 S HA -0.196 4.273 4.470 -0.002 0.000 0.225 8 S C 1.820 176.335 174.600 -0.142 0.000 1.030 8 S CA 1.407 59.556 58.200 -0.085 0.000 0.999 8 S CB -0.297 62.879 63.200 -0.040 0.000 0.844 8 S HN 0.443 nan 8.310 nan 0.000 0.459 9 N N 0.510 119.092 118.700 -0.198 0.000 2.135 9 N HA -0.119 4.620 4.740 -0.002 0.000 0.186 9 N C 1.819 177.119 175.510 -0.349 0.000 1.027 9 N CA 1.176 54.081 53.050 -0.241 0.000 0.849 9 N CB -0.125 38.227 38.487 -0.225 0.000 1.002 9 N HN 0.240 nan 8.380 nan 0.000 0.425 10 E N 0.983 120.826 120.200 -0.595 0.000 2.110 10 E HA -0.028 4.321 4.350 -0.002 0.000 0.193 10 E C 1.730 178.137 176.600 -0.322 0.000 0.988 10 E CA 1.192 57.203 56.400 -0.648 0.000 0.804 10 E CB -0.353 28.624 29.700 -1.205 0.000 0.745 10 E HN 0.396 nan 8.360 nan 0.000 0.458 11 A N -0.534 122.138 122.820 -0.245 0.000 1.933 11 A HA -0.190 4.129 4.320 -0.002 0.000 0.218 11 A C 2.424 179.936 177.584 -0.120 0.000 1.175 11 A CA 2.095 54.053 52.037 -0.131 0.000 0.628 11 A CB -0.978 17.965 19.000 -0.094 0.000 0.814 11 A HN 0.347 nan 8.150 nan 0.000 0.444 12 T N -0.540 113.931 114.554 -0.140 0.000 2.737 12 T HA -0.090 4.258 4.350 -0.002 0.000 0.265 12 T C 1.900 176.510 174.700 -0.149 0.000 1.038 12 T CA 1.503 63.526 62.100 -0.127 0.000 1.144 12 T CB -0.373 68.426 68.868 -0.116 0.000 0.866 12 T HN 0.149 nan 8.240 nan 0.000 0.434 13 V N 1.737 121.551 119.914 -0.167 0.000 2.343 13 V HA -0.179 3.940 4.120 -0.002 0.000 0.247 13 V C 2.865 178.810 176.094 -0.248 0.000 1.051 13 V CA 1.765 63.958 62.300 -0.180 0.000 1.036 13 V CB -1.171 30.562 31.823 -0.149 0.000 0.654 13 V HN 0.523 nan 8.190 nan 0.000 0.451 14 A N -0.054 122.660 122.820 -0.177 0.000 1.877 14 A HA -0.266 4.052 4.320 -0.002 0.000 0.216 14 A C 2.408 179.880 177.584 -0.186 0.000 1.186 14 A CA 2.118 54.077 52.037 -0.130 0.000 0.620 14 A CB -0.588 18.477 19.000 0.109 0.000 0.822 14 A HN 0.494 nan 8.150 nan 0.000 0.443 15 R N -0.844 119.571 120.500 -0.142 0.000 2.083 15 R HA -0.133 4.206 4.340 -0.002 0.000 0.237 15 R C 2.200 178.380 176.300 -0.199 0.000 1.137 15 R CA 2.184 58.204 56.100 -0.135 0.000 0.951 15 R CB -0.658 29.577 30.300 -0.108 0.000 0.851 15 R HN 0.499 nan 8.270 nan 0.000 0.434 16 T N 0.674 115.084 114.554 -0.241 0.000 2.674 16 T HA -0.120 4.229 4.350 -0.002 0.000 0.265 16 T C 1.864 176.303 174.700 -0.435 0.000 1.039 16 T CA 1.466 63.389 62.100 -0.295 0.000 1.150 16 T CB -0.427 68.281 68.868 -0.266 0.000 0.864 16 T HN 0.477 nan 8.240 nan 0.000 0.427 17 A N 1.055 123.553 122.820 -0.536 0.000 1.940 17 A HA -0.074 4.245 4.320 -0.002 0.000 0.219 17 A C 2.301 179.612 177.584 -0.455 0.000 1.176 17 A CA 1.367 52.983 52.037 -0.702 0.000 0.631 17 A CB -0.889 17.468 19.000 -1.071 0.000 0.814 17 A HN 0.549 nan 8.150 nan 0.000 0.446 18 I N -0.337 120.050 120.570 -0.305 0.000 2.179 18 I HA -0.269 3.900 4.170 -0.002 0.000 0.242 18 I C 2.312 178.351 176.117 -0.131 0.000 1.088 18 I CA 1.188 62.428 61.300 -0.100 0.000 1.357 18 I CB -0.379 37.601 38.000 -0.032 0.000 1.051 18 I HN 0.298 nan 8.210 nan 0.000 0.409 19 L N 0.535 121.640 121.223 -0.197 0.000 2.079 19 L HA -0.221 4.118 4.340 -0.002 0.000 0.210 19 L C 2.012 178.748 176.870 -0.223 0.000 1.081 19 L CA 1.137 55.865 54.840 -0.188 0.000 0.752 19 L CB -0.840 41.103 42.059 -0.192 0.000 0.896 19 L HN 0.342 nan 8.230 nan 0.000 0.433 20 N N 0.280 118.748 118.700 -0.386 0.000 2.520 20 N HA -0.129 4.610 4.740 -0.002 0.000 0.185 20 N C 0.937 176.346 175.510 -0.169 0.000 1.068 20 N CA 0.938 53.675 53.050 -0.522 0.000 0.911 20 N CB -0.345 37.297 38.487 -1.409 0.000 0.961 20 N HN 0.516 nan 8.380 nan 0.000 0.446 21 N N -0.329 118.348 118.700 -0.038 0.000 2.214 21 N HA 0.239 4.978 4.740 -0.002 0.000 0.214 21 N C -0.598 174.960 175.510 0.080 0.000 1.132 21 N CA -0.059 53.074 53.050 0.139 0.000 0.856 21 N CB 0.989 39.620 38.487 0.240 0.000 1.020 21 N HN 0.065 nan 8.380 nan 0.000 0.509 22 I N 0.494 121.075 120.570 0.019 0.000 2.406 22 I HA 0.323 4.492 4.170 -0.002 0.000 0.290 22 I C 0.767 176.889 176.117 0.008 0.000 0.999 22 I CA -0.972 60.336 61.300 0.013 0.000 1.124 22 I CB 1.810 39.804 38.000 -0.009 0.000 1.289 22 I HN -0.110 nan 8.210 nan 0.000 0.441 23 G N 3.187 111.993 108.800 0.010 0.000 2.606 23 G HA2 0.403 4.362 3.960 -0.002 0.000 0.252 23 G HA3 0.403 4.362 3.960 -0.002 0.000 0.252 23 G C 0.556 175.449 174.900 -0.012 0.000 1.206 23 G CA -0.119 44.979 45.100 -0.002 0.000 0.861 23 G HN 0.804 nan 8.290 nan 0.000 0.561 24 A N -0.475 122.319 122.820 -0.043 0.000 2.387 24 A HA 0.303 4.622 4.320 -0.002 0.000 0.234 24 A C 1.241 178.813 177.584 -0.019 0.000 1.253 24 A CA 0.294 52.310 52.037 -0.035 0.000 0.894 24 A CB 0.315 19.277 19.000 -0.063 0.000 0.963 24 A HN 0.448 nan 8.150 nan 0.000 0.508 25 D N -0.142 120.247 120.400 -0.018 0.000 2.433 25 D HA 0.148 4.787 4.640 -0.002 0.000 0.211 25 D C 1.038 177.320 176.300 -0.030 0.000 1.114 25 D CA 0.357 54.345 54.000 -0.020 0.000 0.837 25 D CB 0.424 41.210 40.800 -0.023 0.000 0.984 25 D HN 0.338 nan 8.370 nan 0.000 0.505 26 G N 0.570 109.356 108.800 -0.024 0.000 2.254 26 G HA2 0.234 4.193 3.960 -0.002 0.000 0.253 26 G HA3 0.234 4.193 3.960 -0.002 0.000 0.253 26 G C 1.226 176.110 174.900 -0.028 0.000 1.246 26 G CA 0.282 45.353 45.100 -0.049 0.000 0.946 26 G HN 0.112 nan 8.290 nan 0.000 0.474 27 A N 3.098 125.844 122.820 -0.122 0.000 2.019 27 A HA -0.054 4.265 4.320 -0.002 0.000 0.219 27 A C 1.660 179.336 177.584 0.153 0.000 1.164 27 A CA 1.044 53.045 52.037 -0.061 0.000 0.644 27 A CB -0.227 18.656 19.000 -0.196 0.000 0.805 27 A HN 0.771 nan 8.150 nan 0.000 0.449 28 W N -0.811 120.517 121.300 0.045 0.000 3.211 28 W HA 0.289 4.948 4.660 -0.002 0.000 0.292 28 W C 0.756 177.363 176.519 0.147 0.000 1.268 28 W CA 0.589 57.978 57.345 0.072 0.000 1.702 28 W CB -0.313 29.190 29.460 0.071 0.000 1.092 28 W HN 0.290 nan 8.180 nan 0.000 0.643 29 V N -1.710 118.423 119.914 0.364 0.000 2.711 29 V HA 0.359 4.478 4.120 -0.002 0.000 0.335 29 V C 0.276 176.558 176.094 0.314 0.000 1.235 29 V CA -0.755 61.801 62.300 0.427 0.000 1.250 29 V CB -0.009 32.003 31.823 0.314 0.000 1.469 29 V HN -0.114 nan 8.190 nan 0.000 0.646 30 S N 1.524 117.368 115.700 0.241 0.000 2.544 30 S HA 0.499 4.967 4.470 -0.002 0.000 0.290 30 S C 1.520 176.251 174.600 0.218 0.000 1.276 30 S CA 1.552 59.847 58.200 0.159 0.000 1.075 30 S CB 0.312 63.575 63.200 0.104 0.000 0.849 30 S HN 2.138 nan 8.310 nan 0.000 0.494 31 G N 3.028 111.921 108.800 0.154 0.000 2.352 31 G HA2 -0.057 3.901 3.960 -0.002 0.000 0.204 31 G HA3 -0.057 3.901 3.960 -0.002 0.000 0.204 31 G C 0.182 175.128 174.900 0.077 0.000 1.004 31 G CA -0.079 45.112 45.100 0.153 0.000 0.648 31 G HN 1.344 nan 8.290 nan 0.000 0.491 32 A N 0.811 123.658 122.820 0.044 0.000 2.409 32 A HA 0.547 4.866 4.320 -0.002 0.000 0.262 32 A C 0.407 177.973 177.584 -0.031 0.000 1.113 32 A CA 0.492 52.498 52.037 -0.052 0.000 0.790 32 A CB 0.361 19.311 19.000 -0.083 0.000 1.046 32 A HN 0.320 nan 8.150 nan 0.000 0.496 33 D N 1.024 121.395 120.400 -0.049 0.000 2.369 33 D HA 0.091 4.730 4.640 -0.002 0.000 0.241 33 D C 0.514 176.778 176.300 -0.059 0.000 1.271 33 D CA 0.384 54.353 54.000 -0.053 0.000 0.942 33 D CB 0.844 41.609 40.800 -0.059 0.000 1.129 33 D HN 0.438 nan 8.370 nan 0.000 0.476 34 S N -0.838 114.810 115.700 -0.087 0.000 2.515 34 S HA 0.370 4.839 4.470 -0.002 0.000 0.285 34 S C 1.022 175.591 174.600 -0.052 0.000 1.265 34 S CA 0.706 58.829 58.200 -0.127 0.000 1.079 34 S CB -0.248 62.806 63.200 -0.244 0.000 0.877 34 S HN 0.634 nan 8.310 nan 0.000 0.493 35 G N 4.324 113.139 108.800 0.025 0.000 2.159 35 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.256 35 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.256 35 G C 0.112 175.068 174.900 0.094 0.000 0.977 35 G CA 0.004 45.162 45.100 0.097 0.000 0.652 35 G HN 0.655 nan 8.290 nan 0.000 0.531 36 I N 1.783 122.376 120.570 0.038 0.000 2.337 36 I HA 0.287 4.455 4.170 -0.002 0.000 0.291 36 I C 0.854 177.000 176.117 0.049 0.000 1.046 36 I CA -0.642 60.677 61.300 0.032 0.000 1.324 36 I CB 1.095 39.077 38.000 -0.030 0.000 1.409 36 I HN -0.108 nan 8.210 nan 0.000 0.494 37 V N 8.043 128.014 119.914 0.095 0.000 2.432 37 V HA 0.188 4.307 4.120 -0.002 0.000 0.271 37 V C 0.448 176.605 176.094 0.106 0.000 1.046 37 V CA -0.569 61.783 62.300 0.088 0.000 0.945 37 V CB 1.439 33.308 31.823 0.077 0.000 0.992 37 V HN 0.389 nan 8.190 nan 0.000 0.471 38 V N 4.785 124.757 119.914 0.097 0.000 2.509 38 V HA 0.370 4.489 4.120 -0.002 0.000 0.284 38 V C 1.325 177.566 176.094 0.245 0.000 1.047 38 V CA 0.339 62.705 62.300 0.109 0.000 0.952 38 V CB 1.142 32.955 31.823 -0.018 0.000 0.988 38 V HN 0.990 nan 8.190 nan 0.000 0.469 39 A N 3.649 126.687 122.820 0.364 0.000 1.902 39 A HA 0.049 4.368 4.320 -0.002 0.000 0.217 39 A C 1.161 178.976 177.584 0.386 0.000 1.181 39 A CA 1.807 54.081 52.037 0.394 0.000 0.623 39 A CB -0.072 19.182 19.000 0.423 0.000 0.818 39 A HN 1.031 nan 8.150 nan 0.000 0.443 40 S N -2.906 113.042 115.700 0.414 0.000 2.543 40 S HA 0.462 4.931 4.470 -0.002 0.000 0.274 40 S C -2.856 171.978 174.600 0.389 0.000 1.149 40 S CA -0.493 57.916 58.200 0.350 0.000 0.866 40 S CB 1.665 65.023 63.200 0.264 0.000 1.111 40 S HN -0.050 nan 8.310 nan 0.000 0.457 41 P HA 0.085 nan 4.420 nan 0.000 0.242 41 P C 0.397 177.792 177.300 0.160 0.000 1.197 41 P CA 0.276 63.574 63.100 0.331 0.000 0.765 41 P CB -0.213 31.589 31.700 0.170 0.000 0.936 42 S N 0.667 116.446 115.700 0.131 0.000 2.465 42 S HA 0.148 4.617 4.470 -0.002 0.000 0.280 42 S C 1.334 176.011 174.600 0.130 0.000 1.232 42 S CA 0.039 58.266 58.200 0.045 0.000 1.066 42 S CB -0.322 62.858 63.200 -0.033 0.000 0.929 42 S HN 0.244 nan 8.310 nan 0.000 0.494 43 T N 0.930 115.488 114.554 0.007 0.000 3.022 43 T HA 0.240 4.589 4.350 -0.002 0.000 0.250 43 T C 0.019 174.754 174.700 0.058 0.000 1.060 43 T CA -0.086 62.011 62.100 -0.006 0.000 1.013 43 T CB -0.042 68.680 68.868 -0.244 0.000 0.982 43 T HN 0.573 nan 8.240 nan 0.000 0.508 44 D N 0.865 121.296 120.400 0.052 0.000 2.859 44 D HA 0.263 4.902 4.640 -0.002 0.000 0.223 44 D C -1.141 175.201 176.300 0.071 0.000 1.218 44 D CA -0.530 53.513 54.000 0.073 0.000 0.850 44 D CB 0.990 41.810 40.800 0.035 0.000 1.656 44 D HN -0.042 nan 8.370 nan 0.000 0.484 45 N N 2.616 121.385 118.700 0.114 0.000 2.724 45 N HA -0.119 4.620 4.740 -0.002 0.000 0.293 45 N C -2.285 173.265 175.510 0.067 0.000 1.090 45 N CA 0.488 53.613 53.050 0.125 0.000 0.793 45 N CB -0.806 37.737 38.487 0.092 0.000 0.958 45 N HN 0.441 nan 8.380 nan 0.000 0.575 46 P HA 0.245 nan 4.420 nan 0.000 0.281 46 P C -0.549 176.921 177.300 0.282 0.000 1.264 46 P CA -0.342 62.912 63.100 0.256 0.000 0.824 46 P CB 0.979 32.859 31.700 0.300 0.000 1.092 47 D N 0.393 121.077 120.400 0.474 0.000 2.428 47 D HA 0.137 4.776 4.640 -0.002 0.000 0.221 47 D C -0.824 175.986 176.300 0.850 0.000 1.123 47 D CA -0.236 54.069 54.000 0.508 0.000 0.869 47 D CB -0.331 40.729 40.800 0.433 0.000 1.032 47 D HN 0.137 nan 8.370 nan 0.000 0.506 48 Y N 2.854 123.426 120.300 0.454 0.000 2.660 48 Y HA 0.237 4.786 4.550 -0.002 0.000 0.254 48 Y C 0.104 176.327 175.900 0.538 0.000 1.176 48 Y CA -0.987 57.488 58.100 0.624 0.000 1.195 48 Y CB -0.319 38.390 38.460 0.415 0.000 1.190 48 Y HN 0.372 nan 8.280 nan 0.000 0.535 49 F N 1.825 121.876 119.950 0.170 0.000 2.661 49 F HA 0.305 4.830 4.527 -0.003 0.000 0.356 49 F C -1.087 174.383 175.800 -0.550 0.000 1.244 49 F CA -0.415 57.517 58.000 -0.113 0.000 1.290 49 F CB -0.886 38.028 39.000 -0.143 0.000 1.677 49 F HN -0.097 nan 8.300 nan 0.000 0.649 50 Y N -0.546 119.733 120.300 -0.035 0.000 2.655 50 Y HA 0.387 4.935 4.550 -0.003 0.000 0.336 50 Y C -0.117 175.728 175.900 -0.092 0.000 1.154 50 Y CA -1.437 56.512 58.100 -0.252 0.000 1.055 50 Y CB 1.532 39.550 38.460 -0.737 0.000 1.295 50 Y HN -0.050 nan 8.280 nan 0.000 0.465 51 T N 2.301 116.870 114.554 0.024 0.000 2.791 51 T HA 0.329 4.678 4.350 -0.002 0.000 0.288 51 T C -1.352 173.409 174.700 0.101 0.000 0.999 51 T CA -0.322 61.860 62.100 0.135 0.000 0.952 51 T CB 0.169 69.092 68.868 0.092 0.000 0.938 51 T HN 0.454 nan 8.240 nan 0.000 0.444 52 W N 3.842 125.180 121.300 0.063 0.000 2.365 52 W HA 0.199 4.859 4.660 0.000 0.000 0.316 52 W C 1.267 177.826 176.519 0.066 0.000 1.164 52 W CA -0.723 56.643 57.345 0.034 0.000 1.204 52 W CB 1.604 31.076 29.460 0.020 0.000 1.213 52 W HN 0.678 nan 8.180 nan 0.000 0.539 53 T N 1.825 116.543 114.554 0.274 0.000 2.788 53 T HA -0.235 4.114 4.350 -0.002 0.000 0.268 53 T C 1.971 176.752 174.700 0.135 0.000 1.044 53 T CA 1.268 63.490 62.100 0.202 0.000 1.139 53 T CB -0.045 68.925 68.868 0.170 0.000 0.867 53 T HN 0.415 nan 8.240 nan 0.000 0.454 54 R N 1.341 121.914 120.500 0.121 0.000 2.075 54 R HA -0.153 4.186 4.340 -0.002 0.000 0.230 54 R C 1.909 178.084 176.300 -0.209 0.000 1.140 54 R CA 2.298 58.373 56.100 -0.043 0.000 0.928 54 R CB -0.522 29.745 30.300 -0.056 0.000 0.834 54 R HN 0.240 nan 8.270 nan 0.000 0.429 55 D N 0.246 120.536 120.400 -0.182 0.000 2.126 55 D HA -0.172 4.467 4.640 -0.002 0.000 0.190 55 D C 2.058 178.269 176.300 -0.147 0.000 1.001 55 D CA 2.258 56.112 54.000 -0.244 0.000 0.841 55 D CB -0.247 40.566 40.800 0.021 0.000 0.949 55 D HN 0.236 nan 8.370 nan 0.000 0.446 56 S N -0.189 115.510 115.700 -0.003 0.000 2.370 56 S HA -0.115 4.354 4.470 -0.002 0.000 0.226 56 S C 2.193 176.702 174.600 -0.152 0.000 1.033 56 S CA 1.232 59.426 58.200 -0.010 0.000 1.011 56 S CB -0.896 62.409 63.200 0.174 0.000 0.852 56 S HN 0.447 nan 8.310 nan 0.000 0.457 57 G N 1.733 110.479 108.800 -0.091 0.000 2.418 57 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.217 57 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.217 57 G C 1.360 176.132 174.900 -0.213 0.000 1.158 57 G CA 0.651 45.679 45.100 -0.121 0.000 0.771 57 G HN 0.423 nan 8.290 nan 0.000 0.545 58 L N 0.043 121.098 121.223 -0.279 0.000 2.056 58 L HA -0.070 4.268 4.340 -0.002 0.000 0.207 58 L C 3.024 179.771 176.870 -0.205 0.000 1.078 58 L CA 0.456 55.100 54.840 -0.327 0.000 0.749 58 L CB -0.505 41.197 42.059 -0.594 0.000 0.901 58 L HN 0.095 nan 8.230 nan 0.000 0.433 59 V N 0.073 119.870 119.914 -0.194 0.000 2.261 59 V HA -0.297 3.822 4.120 -0.002 0.000 0.246 59 V C 2.410 178.400 176.094 -0.173 0.000 1.047 59 V CA 1.563 63.794 62.300 -0.115 0.000 1.015 59 V CB -0.346 31.435 31.823 -0.069 0.000 0.642 59 V HN 0.278 nan 8.190 nan 0.000 0.446 60 I N 0.346 120.727 120.570 -0.315 0.000 2.286 60 I HA -0.211 3.958 4.170 -0.002 0.000 0.248 60 I C 2.466 178.428 176.117 -0.260 0.000 1.115 60 I CA 1.769 62.815 61.300 -0.425 0.000 1.392 60 I CB -1.159 36.281 38.000 -0.934 0.000 1.065 60 I HN 0.374 nan 8.210 nan 0.000 0.418 61 K N 1.362 121.650 120.400 -0.187 0.000 2.097 61 K HA -0.138 4.181 4.320 -0.002 0.000 0.206 61 K C 1.949 178.531 176.600 -0.031 0.000 1.049 61 K CA 1.896 58.133 56.287 -0.083 0.000 0.933 61 K CB -0.476 31.991 32.500 -0.055 0.000 0.717 61 K HN 0.228 nan 8.250 nan 0.000 0.442 62 T N 1.435 115.973 114.554 -0.027 0.000 2.708 62 T HA -0.077 4.271 4.350 -0.002 0.000 0.266 62 T C 1.679 176.377 174.700 -0.003 0.000 1.037 62 T CA 1.560 63.673 62.100 0.021 0.000 1.146 62 T CB -0.206 68.695 68.868 0.055 0.000 0.865 62 T HN 0.129 nan 8.240 nan 0.000 0.435 63 L N 0.793 121.980 121.223 -0.059 0.000 2.093 63 L HA -0.056 4.282 4.340 -0.002 0.000 0.208 63 L C 2.674 179.515 176.870 -0.049 0.000 1.085 63 L CA 0.795 55.589 54.840 -0.077 0.000 0.755 63 L CB -0.779 41.188 42.059 -0.153 0.000 0.904 63 L HN 0.161 nan 8.230 nan 0.000 0.435 64 V N -0.072 119.806 119.914 -0.060 0.000 2.343 64 V HA -0.286 3.833 4.120 -0.002 0.000 0.247 64 V C 2.125 178.294 176.094 0.124 0.000 1.051 64 V CA 1.900 64.213 62.300 0.022 0.000 1.036 64 V CB -0.488 31.351 31.823 0.028 0.000 0.654 64 V HN 0.419 nan 8.190 nan 0.000 0.451 65 D N 0.069 120.517 120.400 0.081 0.000 2.117 65 D HA -0.111 4.528 4.640 -0.002 0.000 0.197 65 D C 2.163 178.503 176.300 0.066 0.000 0.987 65 D CA 1.139 55.190 54.000 0.084 0.000 0.829 65 D CB -0.258 40.588 40.800 0.076 0.000 0.961 65 D HN 0.334 nan 8.370 nan 0.000 0.460 66 L N -0.224 121.031 121.223 0.053 0.000 2.046 66 L HA -0.151 4.188 4.340 -0.002 0.000 0.208 66 L C 2.389 179.274 176.870 0.024 0.000 1.077 66 L CA 0.816 55.674 54.840 0.029 0.000 0.747 66 L CB -0.490 41.578 42.059 0.015 0.000 0.896 66 L HN -0.005 nan 8.230 nan 0.000 0.432 67 F N 1.250 121.137 119.950 -0.104 0.000 2.069 67 F HA -0.218 4.309 4.527 -0.001 0.000 0.298 67 F C 2.690 178.403 175.800 -0.146 0.000 1.113 67 F CA 1.554 59.455 58.000 -0.164 0.000 1.214 67 F CB -0.227 38.627 39.000 -0.243 0.000 0.978 67 F HN -0.154 nan 8.300 nan 0.000 0.474 68 R N 0.079 120.500 120.500 -0.132 0.000 2.193 68 R HA -0.110 4.228 4.340 -0.002 0.000 0.229 68 R C 1.097 177.341 176.300 -0.093 0.000 1.110 68 R CA 1.118 57.144 56.100 -0.123 0.000 0.988 68 R CB -0.484 29.895 30.300 0.130 0.000 0.871 68 R HN 0.314 nan 8.270 nan 0.000 0.458 69 N N -0.568 118.086 118.700 -0.077 0.000 2.383 69 N HA 0.047 4.785 4.740 -0.002 0.000 0.192 69 N C 0.763 176.223 175.510 -0.084 0.000 1.141 69 N CA 0.913 53.935 53.050 -0.047 0.000 0.851 69 N CB 1.419 39.899 38.487 -0.011 0.000 0.976 69 N HN 0.440 nan 8.380 nan 0.000 0.465 70 G N 0.255 108.952 108.800 -0.173 0.000 2.229 70 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.189 70 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.189 70 G C -0.173 174.633 174.900 -0.156 0.000 1.000 70 G CA -0.309 44.697 45.100 -0.156 0.000 0.663 70 G HN 0.301 nan 8.290 nan 0.000 0.493 71 D N 2.265 122.581 120.400 -0.138 0.000 2.619 71 D HA 0.374 5.013 4.640 -0.002 0.000 0.224 71 D C 2.138 178.435 176.300 -0.004 0.000 1.133 71 D CA 0.700 54.664 54.000 -0.060 0.000 1.017 71 D CB 0.117 40.903 40.800 -0.023 0.000 1.077 71 D HN 0.373 nan 8.370 nan 0.000 0.503 72 T N -1.318 113.197 114.554 -0.065 0.000 2.833 72 T HA -0.171 4.178 4.350 -0.002 0.000 0.269 72 T C 1.269 176.058 174.700 0.148 0.000 1.054 72 T CA 0.676 62.790 62.100 0.022 0.000 1.135 72 T CB 0.067 68.903 68.868 -0.054 0.000 0.869 72 T HN 0.061 nan 8.240 nan 0.000 0.466 73 D N 1.303 121.728 120.400 0.041 0.000 2.351 73 D HA 0.034 4.673 4.640 -0.002 0.000 0.216 73 D C 1.647 177.908 176.300 -0.064 0.000 0.968 73 D CA 0.493 54.483 54.000 -0.017 0.000 0.899 73 D CB -0.206 40.571 40.800 -0.039 0.000 0.907 73 D HN 0.455 nan 8.370 nan 0.000 0.514 74 L N 0.164 121.369 121.223 -0.030 0.000 2.599 74 L HA 0.006 4.345 4.340 -0.002 0.000 0.230 74 L C 2.053 178.671 176.870 -0.419 0.000 1.141 74 L CA -0.210 54.527 54.840 -0.171 0.000 0.877 74 L CB -0.054 41.945 42.059 -0.100 0.000 1.009 74 L HN 0.018 nan 8.230 nan 0.000 0.447 75 L N 0.412 121.384 121.223 -0.418 0.000 1.990 75 L HA -0.278 4.061 4.340 -0.002 0.000 0.213 75 L C 2.793 179.232 176.870 -0.717 0.000 1.072 75 L CA 2.481 56.888 54.840 -0.721 0.000 0.755 75 L CB -0.556 41.285 42.059 -0.363 0.000 0.889 75 L HN 0.408 nan 8.230 nan 0.000 0.432 76 S N -2.716 112.648 115.700 -0.560 0.000 2.402 76 S HA -0.182 4.286 4.470 -0.002 0.000 0.229 76 S C 1.854 175.858 174.600 -0.995 0.000 1.021 76 S CA 1.428 59.174 58.200 -0.756 0.000 0.974 76 S CB -1.253 61.611 63.200 -0.560 0.000 0.800 76 S HN 0.570 nan 8.310 nan 0.000 0.484 77 T N 2.959 117.129 114.554 -0.640 0.000 2.720 77 T HA 0.056 4.405 4.350 -0.002 0.000 0.268 77 T C 1.719 176.151 174.700 -0.446 0.000 1.037 77 T CA 1.689 63.525 62.100 -0.441 0.000 1.144 77 T CB -0.507 68.185 68.868 -0.292 0.000 0.864 77 T HN 0.456 nan 8.240 nan 0.000 0.444 78 I N 0.714 120.906 120.570 -0.630 0.000 2.286 78 I HA -0.101 4.068 4.170 -0.002 0.000 0.245 78 I C 2.632 178.329 176.117 -0.700 0.000 1.104 78 I CA 1.219 62.090 61.300 -0.715 0.000 1.397 78 I CB -0.395 36.906 38.000 -1.165 0.000 1.072 78 I HN 0.271 nan 8.210 nan 0.000 0.417 79 E N 0.258 119.906 120.200 -0.919 0.000 2.077 79 E HA -0.237 4.112 4.350 -0.002 0.000 0.193 79 E C 2.085 178.470 176.600 -0.359 0.000 0.989 79 E CA 1.440 57.235 56.400 -1.008 0.000 0.800 79 E CB -0.212 28.666 29.700 -1.369 0.000 0.746 79 E HN 0.653 nan 8.360 nan 0.000 0.452 80 H N -1.170 117.722 119.070 -0.296 0.000 2.353 80 H HA -0.177 4.378 4.556 -0.002 0.000 0.300 80 H C 2.019 177.315 175.328 -0.053 0.000 1.090 80 H CA 1.224 57.200 56.048 -0.121 0.000 1.327 80 H CB -0.140 29.553 29.762 -0.115 0.000 1.383 80 H HN 0.205 nan 8.280 nan 0.000 0.508 81 Y N 1.676 121.937 120.300 -0.065 0.000 2.128 81 Y HA -0.254 4.295 4.550 -0.002 0.000 0.284 81 Y C 2.242 178.133 175.900 -0.014 0.000 1.154 81 Y CA 1.433 59.492 58.100 -0.068 0.000 1.149 81 Y CB -0.547 37.827 38.460 -0.144 0.000 0.976 81 Y HN 0.087 nan 8.280 nan 0.000 0.505 82 I N -0.734 119.778 120.570 -0.098 0.000 2.163 82 I HA -0.374 3.795 4.170 -0.002 0.000 0.243 82 I C 2.530 178.657 176.117 0.017 0.000 1.085 82 I CA 1.732 63.024 61.300 -0.014 0.000 1.347 82 I CB -0.653 37.564 38.000 0.362 0.000 1.044 82 I HN 0.162 nan 8.210 nan 0.000 0.408 83 S N 0.470 116.269 115.700 0.165 0.000 2.370 83 S HA -0.199 4.270 4.470 -0.002 0.000 0.226 83 S C 2.186 176.769 174.600 -0.028 0.000 1.033 83 S CA 1.813 60.094 58.200 0.136 0.000 1.011 83 S CB -0.348 62.994 63.200 0.237 0.000 0.852 83 S HN 0.653 nan 8.310 nan 0.000 0.457 84 S N 1.257 116.901 115.700 -0.093 0.000 2.402 84 S HA -0.098 4.371 4.470 -0.002 0.000 0.229 84 S C 1.766 176.223 174.600 -0.238 0.000 1.021 84 S CA 0.667 58.773 58.200 -0.157 0.000 0.974 84 S CB -0.354 62.761 63.200 -0.142 0.000 0.800 84 S HN 0.367 nan 8.310 nan 0.000 0.484 85 Q N 1.300 120.907 119.800 -0.322 0.000 2.172 85 Q HA 0.214 4.553 4.340 -0.002 0.000 0.200 85 Q C 2.583 178.457 176.000 -0.210 0.000 0.964 85 Q CA 1.304 56.910 55.803 -0.329 0.000 0.855 85 Q CB -0.968 27.494 28.738 -0.461 0.000 0.918 85 Q HN 0.731 nan 8.270 nan 0.000 0.444 86 A N 0.980 123.710 122.820 -0.151 0.000 1.908 86 A HA -0.173 4.146 4.320 -0.002 0.000 0.218 86 A C 2.160 179.675 177.584 -0.116 0.000 1.181 86 A CA 1.239 53.213 52.037 -0.106 0.000 0.627 86 A CB -0.587 18.367 19.000 -0.076 0.000 0.818 86 A HN 0.289 nan 8.150 nan 0.000 0.445 87 I N -0.308 120.181 120.570 -0.135 0.000 2.162 87 I HA -0.174 3.994 4.170 -0.002 0.000 0.238 87 I C 2.250 178.247 176.117 -0.201 0.000 1.076 87 I CA 0.758 61.973 61.300 -0.142 0.000 1.353 87 I CB -0.265 37.657 38.000 -0.129 0.000 1.063 87 I HN 0.220 nan 8.210 nan 0.000 0.408 88 I N 0.715 121.111 120.570 -0.291 0.000 2.145 88 I HA -0.371 3.798 4.170 -0.002 0.000 0.244 88 I C 2.578 178.484 176.117 -0.351 0.000 1.075 88 I CA 1.856 62.872 61.300 -0.474 0.000 1.332 88 I CB -1.225 36.384 38.000 -0.652 0.000 1.033 88 I HN 0.445 nan 8.210 nan 0.000 0.410 89 Q N 0.090 119.758 119.800 -0.221 0.000 2.173 89 Q HA -0.209 4.129 4.340 -0.002 0.000 0.208 89 Q C 2.114 178.064 176.000 -0.082 0.000 0.989 89 Q CA 1.813 57.545 55.803 -0.119 0.000 0.872 89 Q CB -0.440 28.254 28.738 -0.075 0.000 0.909 89 Q HN 0.660 nan 8.270 nan 0.000 0.420 90 G N -0.241 108.503 108.800 -0.093 0.000 2.813 90 G HA2 0.090 4.049 3.960 -0.002 0.000 0.209 90 G HA3 0.090 4.049 3.960 -0.002 0.000 0.209 90 G C 0.410 175.274 174.900 -0.059 0.000 1.150 90 G CA -0.180 44.880 45.100 -0.066 0.000 0.785 90 G HN 0.056 nan 8.290 nan 0.000 0.535 91 V N 1.354 121.219 119.914 -0.082 0.000 2.521 91 V HA 0.241 4.359 4.120 -0.002 0.000 0.286 91 V C 0.794 176.914 176.094 0.044 0.000 1.034 91 V CA -0.312 61.971 62.300 -0.029 0.000 1.045 91 V CB 1.300 33.085 31.823 -0.063 0.000 0.974 91 V HN 0.185 nan 8.190 nan 0.000 0.480 92 S N 5.028 120.744 115.700 0.027 0.000 2.488 92 S HA 0.348 4.816 4.470 -0.002 0.000 0.278 92 S C -0.051 174.574 174.600 0.042 0.000 1.259 92 S CA -0.482 57.731 58.200 0.022 0.000 1.061 92 S CB -0.293 62.907 63.200 0.000 0.000 0.910 92 S HN 1.052 nan 8.310 nan 0.000 0.491 93 N N 3.743 122.462 118.700 0.032 0.000 2.902 93 N HA 0.574 5.313 4.740 -0.002 0.000 0.268 93 N C -2.754 172.737 175.510 -0.033 0.000 1.450 93 N CA -1.541 51.511 53.050 0.004 0.000 0.819 93 N CB 0.288 38.796 38.487 0.035 0.000 1.540 93 N HN 0.115 nan 8.380 nan 0.000 0.545 94 P HA -0.043 nan 4.420 nan 0.000 0.220 94 P C 0.369 177.647 177.300 -0.038 0.000 1.144 94 P CA 1.222 64.290 63.100 -0.053 0.000 0.800 94 P CB 0.122 31.783 31.700 -0.065 0.000 0.772 95 S N -1.814 113.860 115.700 -0.043 0.000 2.528 95 S HA 0.394 4.863 4.470 -0.002 0.000 0.219 95 S C 1.080 175.664 174.600 -0.026 0.000 0.985 95 S CA 0.661 58.842 58.200 -0.031 0.000 0.914 95 S CB -0.098 63.081 63.200 -0.036 0.000 0.776 95 S HN 0.427 nan 8.310 nan 0.000 0.526 96 G N 0.869 109.656 108.800 -0.022 0.000 2.298 96 G HA2 0.011 3.970 3.960 -0.002 0.000 0.309 96 G HA3 0.011 3.970 3.960 -0.002 0.000 0.309 96 G C -2.090 172.800 174.900 -0.018 0.000 1.279 96 G CA -0.793 44.294 45.100 -0.022 0.000 1.042 96 G HN 0.162 nan 8.290 nan 0.000 0.480 97 D N -0.754 119.626 120.400 -0.035 0.000 2.569 97 D HA 0.495 5.133 4.640 -0.002 0.000 0.266 97 D C 1.764 178.016 176.300 -0.080 0.000 1.164 97 D CA -0.176 53.797 54.000 -0.044 0.000 1.071 97 D CB 1.614 42.385 40.800 -0.049 0.000 1.183 97 D HN 0.507 nan 8.370 nan 0.000 0.613 98 L N 1.273 122.444 121.223 -0.087 0.000 1.997 98 L HA -0.259 4.080 4.340 -0.002 0.000 0.216 98 L C 1.910 178.578 176.870 -0.336 0.000 1.074 98 L CA 2.655 57.425 54.840 -0.116 0.000 0.763 98 L CB -0.769 41.256 42.059 -0.056 0.000 0.890 98 L HN 0.440 nan 8.230 nan 0.000 0.434 99 S N -2.144 113.324 115.700 -0.388 0.000 2.575 99 S HA 0.062 4.531 4.470 -0.002 0.000 0.215 99 S C 1.208 175.517 174.600 -0.484 0.000 0.966 99 S CA 0.231 57.981 58.200 -0.751 0.000 0.911 99 S CB -0.529 62.478 63.200 -0.321 0.000 0.780 99 S HN 0.656 nan 8.310 nan 0.000 0.514 100 S N -0.465 115.095 115.700 -0.233 0.000 2.843 100 S HA 0.648 5.117 4.470 -0.002 0.000 0.249 100 S C 0.682 175.278 174.600 -0.008 0.000 1.047 100 S CA -0.071 58.087 58.200 -0.069 0.000 1.042 100 S CB -0.031 63.137 63.200 -0.053 0.000 0.936 100 S HN 1.444 nan 8.310 nan 0.000 0.531 104 L N 1.583 122.734 121.223 -0.120 0.000 2.187 104 L HA 0.052 4.391 4.340 -0.002 0.000 0.213 104 L C 2.719 179.309 176.870 -0.465 0.000 1.100 104 L CA 1.456 56.128 54.840 -0.281 0.000 0.765 104 L CB -0.336 41.551 42.059 -0.287 0.000 0.904 104 L HN 0.328 nan 8.230 nan 0.000 0.437 105 G N -0.820 107.677 108.800 -0.505 0.000 2.712 105 G HA2 -0.141 3.817 3.960 -0.002 0.000 0.212 105 G HA3 -0.141 3.817 3.960 -0.002 0.000 0.212 105 G C 0.559 175.408 174.900 -0.085 0.000 1.142 105 G CA -0.257 44.669 45.100 -0.289 0.000 0.789 105 G HN 0.209 nan 8.290 nan 0.000 0.535 106 E N 1.284 121.428 120.200 -0.095 0.000 2.493 106 E HA 0.119 4.468 4.350 -0.002 0.000 0.255 106 E C -1.153 175.325 176.600 -0.204 0.000 0.999 106 E CA -1.678 54.614 56.400 -0.180 0.000 0.934 106 E CB 1.169 30.667 29.700 -0.337 0.000 0.940 106 E HN 0.057 nan 8.360 nan 0.000 0.473 107 P HA -0.127 nan 4.420 nan 0.000 0.214 107 P C -0.693 176.399 177.300 -0.348 0.000 1.163 107 P CA 1.742 64.787 63.100 -0.091 0.000 0.883 107 P CB 0.093 31.848 31.700 0.092 0.000 0.788 108 K N -2.951 116.960 120.400 -0.815 0.000 2.495 108 K HA 0.597 4.916 4.320 -0.002 0.000 0.268 108 K C -1.308 174.631 176.600 -1.100 0.000 1.008 108 K CA -0.824 54.847 56.287 -1.026 0.000 0.882 108 K CB 1.175 32.539 32.500 -1.893 0.000 1.443 108 K HN -0.179 nan 8.250 nan 0.000 0.447 109 F N -0.284 119.411 119.950 -0.425 0.000 2.650 109 F HA 0.385 4.910 4.527 -0.003 0.000 0.320 109 F C 0.032 175.771 175.800 -0.101 0.000 1.091 109 F CA -1.121 56.759 58.000 -0.200 0.000 0.962 109 F CB 1.651 40.571 39.000 -0.134 0.000 1.363 109 F HN 0.436 nan 8.300 nan 0.000 0.482 110 N N 0.676 119.497 118.700 0.202 0.000 2.482 110 N HA 0.127 4.865 4.740 -0.002 0.000 0.260 110 N C 1.134 176.652 175.510 0.013 0.000 1.236 110 N CA 0.087 53.212 53.050 0.125 0.000 0.938 110 N CB 1.557 40.120 38.487 0.126 0.000 1.128 110 N HN 0.611 nan 8.380 nan 0.000 0.448 111 V N -1.178 118.662 119.914 -0.123 0.000 3.026 111 V HA -0.148 3.971 4.120 -0.002 0.000 0.265 111 V C 1.123 177.163 176.094 -0.090 0.000 1.121 111 V CA 1.677 63.871 62.300 -0.177 0.000 1.142 111 V CB -0.635 30.924 31.823 -0.441 0.000 0.730 111 V HN 0.646 nan 8.190 nan 0.000 0.503 112 D N 0.085 120.460 120.400 -0.042 0.000 2.328 112 D HA 0.023 4.662 4.640 -0.002 0.000 0.221 112 D C 0.804 177.087 176.300 -0.029 0.000 1.072 112 D CA 0.453 54.440 54.000 -0.023 0.000 0.850 112 D CB -0.508 40.294 40.800 0.003 0.000 0.922 112 D HN 0.732 nan 8.370 nan 0.000 0.516 113 E N -0.909 119.270 120.200 -0.034 0.000 3.181 113 E HA -0.169 4.180 4.350 -0.002 0.000 0.293 113 E C -0.467 176.118 176.600 -0.026 0.000 0.936 113 E CA 0.893 57.250 56.400 -0.071 0.000 0.975 113 E CB -2.574 27.050 29.700 -0.127 0.000 1.496 113 E HN 0.614 nan 8.360 nan 0.000 0.429 114 T N -2.230 112.352 114.554 0.047 0.000 2.934 114 T HA 0.710 5.059 4.350 -0.002 0.000 0.283 114 T C 0.506 175.316 174.700 0.183 0.000 1.005 114 T CA -0.433 61.713 62.100 0.077 0.000 1.041 114 T CB 1.962 70.860 68.868 0.050 0.000 1.042 114 T HN 0.391 nan 8.240 nan 0.000 0.505 115 A N 1.483 124.401 122.820 0.163 0.000 2.445 115 A HA 0.401 4.720 4.320 -0.002 0.000 0.242 115 A C -0.524 177.084 177.584 0.040 0.000 1.075 115 A CA -0.516 51.609 52.037 0.147 0.000 0.777 115 A CB -0.377 18.660 19.000 0.061 0.000 1.013 115 A HN 0.915 nan 8.150 nan 0.000 0.493 116 Y N 2.114 122.292 120.300 -0.203 0.000 2.367 116 Y HA 0.381 4.931 4.550 0.001 0.000 0.342 116 Y C 1.370 177.133 175.900 -0.229 0.000 0.979 116 Y CA 0.335 58.278 58.100 -0.262 0.000 1.161 116 Y CB 1.179 39.327 38.460 -0.521 0.000 1.155 116 Y HN 0.690 nan 8.280 nan 0.000 0.503 117 T N 1.209 115.376 114.554 -0.645 0.000 3.069 117 T HA 0.335 4.684 4.350 -0.002 0.000 0.252 117 T C 0.972 175.377 174.700 -0.492 0.000 1.053 117 T CA 0.192 62.033 62.100 -0.433 0.000 0.964 117 T CB -0.191 68.532 68.868 -0.242 0.000 1.005 117 T HN 0.724 nan 8.240 nan 0.000 0.532 118 G N 1.236 109.495 108.800 -0.901 0.000 2.570 118 G HA2 0.433 4.391 3.960 -0.002 0.000 0.276 118 G HA3 0.433 4.391 3.960 -0.002 0.000 0.276 118 G C -0.340 174.512 174.900 -0.079 0.000 1.346 118 G CA -0.677 44.175 45.100 -0.413 0.000 1.034 118 G HN 0.345 nan 8.290 nan 0.000 0.512 119 S N -0.319 115.439 115.700 0.097 0.000 2.549 119 S HA 0.376 4.845 4.470 -0.002 0.000 0.279 119 S C -0.785 174.044 174.600 0.381 0.000 1.321 119 S CA -0.068 58.227 58.200 0.157 0.000 1.054 119 S CB 0.406 63.658 63.200 0.087 0.000 0.899 119 S HN 0.438 nan 8.310 nan 0.000 0.497 120 W N 0.556 121.825 121.300 -0.051 0.000 3.066 120 W HA 0.394 5.053 4.660 -0.003 0.000 0.330 120 W C -0.421 175.929 176.519 -0.281 0.000 1.253 120 W CA -1.042 56.231 57.345 -0.120 0.000 1.187 120 W CB 1.500 30.907 29.460 -0.088 0.000 1.434 120 W HN 0.774 nan 8.180 nan 0.000 0.572 121 G N 3.124 111.443 108.800 -0.802 0.000 2.519 121 G HA2 0.459 4.417 3.960 -0.002 0.000 0.306 121 G HA3 0.459 4.417 3.960 -0.002 0.000 0.306 121 G C -0.534 173.977 174.900 -0.648 0.000 0.965 121 G CA -0.362 43.920 45.100 -1.364 0.000 1.291 121 G HN 0.347 nan 8.290 nan 0.000 0.450 122 R N 2.579 122.933 120.500 -0.243 0.000 2.807 122 R HA 0.757 5.096 4.340 -0.002 0.000 0.276 122 R C -2.790 173.654 176.300 0.240 0.000 0.979 122 R CA -1.782 54.374 56.100 0.093 0.000 0.928 122 R CB 2.070 32.412 30.300 0.071 0.000 1.191 122 R HN 0.249 nan 8.270 nan 0.000 0.471 123 P HA 0.192 nan 4.420 nan 0.000 0.281 123 P C -1.206 176.240 177.300 0.243 0.000 1.281 123 P CA -0.694 62.506 63.100 0.167 0.000 0.811 123 P CB 0.970 32.746 31.700 0.126 0.000 1.154 124 Q N -0.066 119.853 119.800 0.199 0.000 2.347 124 Q HA 0.292 4.630 4.340 -0.002 0.000 0.265 124 Q C 0.600 176.723 176.000 0.205 0.000 1.024 124 Q CA -0.343 55.594 55.803 0.224 0.000 0.731 124 Q CB 1.816 30.689 28.738 0.224 0.000 1.245 124 Q HN 0.307 nan 8.270 nan 0.000 0.472 125 R N 1.117 121.768 120.500 0.252 0.000 2.313 125 R HA -0.056 4.283 4.340 -0.002 0.000 0.199 125 R C 0.613 177.068 176.300 0.258 0.000 0.958 125 R CA 0.562 56.857 56.100 0.326 0.000 1.047 125 R CB 0.214 30.762 30.300 0.413 0.000 0.955 125 R HN 0.628 nan 8.270 nan 0.000 0.481 126 D N 0.442 120.961 120.400 0.198 0.000 2.162 126 D HA -0.080 4.559 4.640 -0.002 0.000 0.203 126 D C 1.801 178.166 176.300 0.109 0.000 0.967 126 D CA 1.066 55.154 54.000 0.148 0.000 0.840 126 D CB -0.587 40.361 40.800 0.247 0.000 0.972 126 D HN 0.150 nan 8.370 nan 0.000 0.482 127 G N 2.447 111.313 108.800 0.111 0.000 2.631 127 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.219 127 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.219 127 G C -0.566 174.366 174.900 0.052 0.000 1.214 127 G CA 1.537 46.683 45.100 0.076 0.000 0.785 127 G HN 0.339 nan 8.290 nan 0.000 0.596 128 P HA -0.085 nan 4.420 nan 0.000 0.216 128 P C 2.187 179.538 177.300 0.086 0.000 1.153 128 P CA 2.201 65.328 63.100 0.045 0.000 0.858 128 P CB -0.215 31.502 31.700 0.030 0.000 0.789 129 A N -0.723 122.150 122.820 0.087 0.000 1.877 129 A HA -0.169 4.150 4.320 -0.002 0.000 0.216 129 A C 2.228 179.802 177.584 -0.017 0.000 1.186 129 A CA 1.515 53.572 52.037 0.034 0.000 0.620 129 A CB -1.644 17.348 19.000 -0.013 0.000 0.822 129 A HN 0.108 nan 8.150 nan 0.000 0.443 130 L N -1.196 120.013 121.223 -0.023 0.000 2.056 130 L HA -0.162 4.177 4.340 -0.002 0.000 0.207 130 L C 2.799 179.666 176.870 -0.006 0.000 1.078 130 L CA 1.789 56.600 54.840 -0.048 0.000 0.749 130 L CB -0.492 41.533 42.059 -0.056 0.000 0.901 130 L HN 0.472 nan 8.230 nan 0.000 0.433 131 R N 0.452 120.979 120.500 0.046 0.000 2.081 131 R HA -0.171 4.167 4.340 -0.002 0.000 0.235 131 R C 2.354 178.712 176.300 0.096 0.000 1.131 131 R CA 1.455 57.622 56.100 0.111 0.000 0.960 131 R CB -0.253 30.119 30.300 0.120 0.000 0.856 131 R HN 0.322 nan 8.270 nan 0.000 0.436 132 A N 0.014 122.875 122.820 0.068 0.000 1.877 132 A HA -0.151 4.168 4.320 -0.002 0.000 0.216 132 A C 2.217 179.817 177.584 0.025 0.000 1.186 132 A CA 2.092 54.169 52.037 0.065 0.000 0.620 132 A CB -1.075 17.974 19.000 0.082 0.000 0.822 132 A HN 0.471 nan 8.150 nan 0.000 0.443 133 T N 0.221 114.770 114.554 -0.008 0.000 2.720 133 T HA -0.063 4.286 4.350 -0.002 0.000 0.268 133 T C 2.162 176.853 174.700 -0.016 0.000 1.037 133 T CA 1.680 63.758 62.100 -0.038 0.000 1.144 133 T CB -0.424 68.392 68.868 -0.086 0.000 0.864 133 T HN 0.611 nan 8.240 nan 0.000 0.444 134 A N 1.028 123.847 122.820 -0.002 0.000 1.930 134 A HA 0.016 4.335 4.320 -0.002 0.000 0.217 134 A C 2.318 179.939 177.584 0.062 0.000 1.175 134 A CA 1.273 53.311 52.037 0.001 0.000 0.627 134 A CB -0.530 18.442 19.000 -0.048 0.000 0.815 134 A HN 0.450 nan 8.150 nan 0.000 0.443 135 M N -0.904 118.756 119.600 0.099 0.000 2.156 135 M HA 0.006 4.485 4.480 -0.002 0.000 0.264 135 M C 2.078 178.380 176.300 0.004 0.000 1.067 135 M CA 1.209 56.591 55.300 0.137 0.000 1.131 135 M CB -0.479 32.211 32.600 0.150 0.000 1.368 135 M HN 0.358 nan 8.290 nan 0.000 0.416 136 I N 0.317 120.801 120.570 -0.144 0.000 2.208 136 I HA -0.230 3.939 4.170 -0.002 0.000 0.245 136 I C 2.592 178.563 176.117 -0.244 0.000 1.097 136 I CA 1.501 62.531 61.300 -0.450 0.000 1.363 136 I CB -0.914 36.907 38.000 -0.298 0.000 1.051 136 I HN 0.368 nan 8.210 nan 0.000 0.413 137 G N 0.426 109.209 108.800 -0.028 0.000 2.440 137 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.218 137 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.218 137 G C 1.586 176.606 174.900 0.200 0.000 1.154 137 G CA 0.542 45.695 45.100 0.088 0.000 0.767 137 G HN 0.304 nan 8.290 nan 0.000 0.552 138 F N 2.414 122.399 119.950 0.057 0.000 2.146 138 F HA 0.086 4.612 4.527 -0.002 0.000 0.298 138 F C 2.608 178.557 175.800 0.250 0.000 1.096 138 F CA 1.253 59.335 58.000 0.137 0.000 1.275 138 F CB -0.593 38.433 39.000 0.045 0.000 1.008 138 F HN 0.120 nan 8.300 nan 0.000 0.480 139 G N -0.408 108.435 108.800 0.072 0.000 2.440 139 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.218 139 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.218 139 G C 1.488 176.536 174.900 0.245 0.000 1.154 139 G CA 0.964 46.128 45.100 0.107 0.000 0.767 139 G HN 0.458 nan 8.290 nan 0.000 0.552 140 Q N -1.143 118.754 119.800 0.160 0.000 2.020 140 Q HA -0.158 4.181 4.340 -0.002 0.000 0.202 140 Q C 2.231 178.340 176.000 0.181 0.000 0.982 140 Q CA 1.479 57.411 55.803 0.216 0.000 0.838 140 Q CB -0.330 28.511 28.738 0.171 0.000 0.899 140 Q HN 0.644 nan 8.270 nan 0.000 0.423 141 W N 1.597 122.924 121.300 0.045 0.000 2.317 141 W HA -0.241 4.418 4.660 -0.002 0.000 0.318 141 W C 1.652 178.188 176.519 0.029 0.000 1.227 141 W CA 1.629 59.005 57.345 0.051 0.000 1.269 141 W CB -0.301 29.234 29.460 0.124 0.000 1.155 141 W HN 0.054 nan 8.180 nan 0.000 0.484 142 L N -0.046 121.237 121.223 0.100 0.000 2.042 142 L HA -0.288 4.051 4.340 -0.002 0.000 0.210 142 L C 2.553 179.411 176.870 -0.019 0.000 1.076 142 L CA 1.477 56.345 54.840 0.047 0.000 0.749 142 L CB -1.171 40.946 42.059 0.097 0.000 0.893 142 L HN 0.098 nan 8.230 nan 0.000 0.432 143 L N -0.514 120.722 121.223 0.021 0.000 2.017 143 L HA -0.232 4.107 4.340 -0.002 0.000 0.208 143 L C 2.265 179.062 176.870 -0.120 0.000 1.073 143 L CA 1.194 56.023 54.840 -0.018 0.000 0.745 143 L CB -0.594 41.488 42.059 0.038 0.000 0.894 143 L HN 0.261 nan 8.230 nan 0.000 0.432 144 D N -0.229 120.073 120.400 -0.163 0.000 2.178 144 D HA -0.145 4.494 4.640 -0.002 0.000 0.201 144 D C 1.458 177.562 176.300 -0.326 0.000 0.980 144 D CA 1.072 54.943 54.000 -0.215 0.000 0.842 144 D CB -0.231 40.457 40.800 -0.187 0.000 0.948 144 D HN 0.369 nan 8.370 nan 0.000 0.472 145 N N -0.270 118.126 118.700 -0.507 0.000 2.268 145 N HA 0.130 4.869 4.740 -0.002 0.000 0.204 145 N C 0.690 175.863 175.510 -0.562 0.000 1.124 145 N CA 0.375 53.083 53.050 -0.569 0.000 0.838 145 N CB 1.292 39.171 38.487 -1.012 0.000 0.994 145 N HN 0.105 nan 8.380 nan 0.000 0.489 146 G N 1.192 109.733 108.800 -0.432 0.000 2.182 146 G HA2 -0.281 3.677 3.960 -0.002 0.000 0.248 146 G HA3 -0.281 3.677 3.960 -0.002 0.000 0.248 146 G C -0.438 174.152 174.900 -0.517 0.000 1.042 146 G CA -0.128 44.712 45.100 -0.434 0.000 0.775 146 G HN 0.440 nan 8.290 nan 0.000 0.501 147 Y N 0.192 120.439 120.300 -0.088 0.000 2.617 147 Y HA 0.345 4.894 4.550 -0.002 0.000 0.328 147 Y C 2.093 178.002 175.900 0.015 0.000 0.946 147 Y CA 0.055 58.154 58.100 -0.002 0.000 1.241 147 Y CB 0.076 38.571 38.460 0.058 0.000 1.226 147 Y HN 0.171 nan 8.280 nan 0.000 0.582 148 T N -1.535 113.059 114.554 0.066 0.000 2.699 148 T HA -0.244 4.104 4.350 -0.002 0.000 0.268 148 T C 2.198 176.940 174.700 0.071 0.000 1.036 148 T CA 2.168 64.292 62.100 0.040 0.000 1.147 148 T CB -0.041 68.815 68.868 -0.020 0.000 0.862 148 T HN 0.403 nan 8.240 nan 0.000 0.446 149 S N 0.906 116.656 115.700 0.083 0.000 2.359 149 S HA -0.059 4.410 4.470 -0.002 0.000 0.224 149 S C 2.561 177.212 174.600 0.086 0.000 1.035 149 S CA 1.042 59.287 58.200 0.075 0.000 1.018 149 S CB -0.556 62.688 63.200 0.073 0.000 0.876 149 S HN 0.624 nan 8.310 nan 0.000 0.448 150 A N 1.265 124.166 122.820 0.135 0.000 1.902 150 A HA 0.100 4.419 4.320 -0.002 0.000 0.217 150 A C 2.317 179.996 177.584 0.158 0.000 1.181 150 A CA 1.759 53.865 52.037 0.115 0.000 0.623 150 A CB -1.011 18.141 19.000 0.254 0.000 0.818 150 A HN 0.526 nan 8.150 nan 0.000 0.443 151 A N -1.034 121.912 122.820 0.210 0.000 1.873 151 A HA -0.055 4.263 4.320 -0.002 0.000 0.215 151 A C 2.308 180.056 177.584 0.272 0.000 1.186 151 A CA 2.243 54.456 52.037 0.293 0.000 0.616 151 A CB -1.133 18.024 19.000 0.261 0.000 0.823 151 A HN 0.427 nan 8.150 nan 0.000 0.442 152 T N -0.305 114.340 114.554 0.151 0.000 2.896 152 T HA -0.042 4.307 4.350 -0.002 0.000 0.263 152 T C 1.662 176.476 174.700 0.191 0.000 1.050 152 T CA 1.618 63.797 62.100 0.132 0.000 1.140 152 T CB -0.097 68.793 68.868 0.037 0.000 0.877 152 T HN 0.656 nan 8.240 nan 0.000 0.457 153 E N -0.265 120.005 120.200 0.116 0.000 2.307 153 E HA 0.253 4.602 4.350 -0.002 0.000 0.195 153 E C 1.673 178.282 176.600 0.015 0.000 0.975 153 E CA 0.195 56.632 56.400 0.062 0.000 0.878 153 E CB 0.305 30.013 29.700 0.012 0.000 0.845 153 E HN 0.424 nan 8.360 nan 0.000 0.488 154 I N -0.282 120.289 120.570 0.002 0.000 3.098 154 I HA -0.090 4.079 4.170 -0.002 0.000 0.241 154 I C 2.082 178.246 176.117 0.079 0.000 1.081 154 I CA 0.205 61.466 61.300 -0.065 0.000 1.487 154 I CB -0.141 37.663 38.000 -0.325 0.000 1.366 154 I HN -0.103 nan 8.210 nan 0.000 0.463 155 V N 1.277 121.320 119.914 0.214 0.000 2.233 155 V HA -0.330 3.789 4.120 -0.002 0.000 0.247 155 V C 2.170 178.522 176.094 0.431 0.000 1.050 155 V CA 2.278 64.785 62.300 0.344 0.000 1.010 155 V CB -1.043 31.042 31.823 0.436 0.000 0.637 155 V HN 0.666 nan 8.190 nan 0.000 0.444 156 W N 2.383 123.899 121.300 0.360 0.000 2.301 156 W HA -0.224 4.436 4.660 -0.001 0.000 0.325 156 W C -0.320 176.320 176.519 0.202 0.000 1.250 156 W CA 2.439 59.974 57.345 0.318 0.000 1.261 156 W CB -1.745 27.769 29.460 0.089 0.000 1.157 156 W HN 0.332 nan 8.180 nan 0.000 0.473 157 P HA -0.224 nan 4.420 nan 0.000 0.216 157 P C 1.938 179.095 177.300 -0.237 0.000 1.150 157 P CA 2.194 65.078 63.100 -0.360 0.000 0.843 157 P CB -0.467 31.147 31.700 -0.143 0.000 0.787 158 L N -1.528 119.643 121.223 -0.086 0.000 2.044 158 L HA -0.121 4.218 4.340 -0.002 0.000 0.205 158 L C 2.433 179.291 176.870 -0.021 0.000 1.075 158 L CA 1.193 56.012 54.840 -0.035 0.000 0.747 158 L CB -1.070 40.997 42.059 0.013 0.000 0.903 158 L HN -0.154 nan 8.230 nan 0.000 0.435 159 V N -0.146 119.783 119.914 0.025 0.000 2.295 159 V HA -0.313 3.806 4.120 -0.002 0.000 0.246 159 V C 2.663 178.754 176.094 -0.005 0.000 1.049 159 V CA 1.836 64.190 62.300 0.090 0.000 1.024 159 V CB -0.683 31.311 31.823 0.284 0.000 0.648 159 V HN 0.444 nan 8.190 nan 0.000 0.447 160 R N 0.250 120.556 120.500 -0.324 0.000 2.119 160 R HA -0.235 4.104 4.340 -0.002 0.000 0.246 160 R C 2.242 178.488 176.300 -0.089 0.000 1.146 160 R CA 2.151 58.011 56.100 -0.399 0.000 0.962 160 R CB -0.308 29.396 30.300 -0.993 0.000 0.863 160 R HN 0.556 nan 8.270 nan 0.000 0.442 161 N N 0.804 119.458 118.700 -0.078 0.000 2.043 161 N HA -0.162 4.577 4.740 -0.002 0.000 0.193 161 N C 1.291 176.899 175.510 0.162 0.000 1.037 161 N CA 1.598 54.677 53.050 0.047 0.000 0.851 161 N CB -0.517 38.034 38.487 0.107 0.000 1.027 161 N HN 0.291 nan 8.380 nan 0.000 0.422 162 D N 0.842 121.330 120.400 0.148 0.000 2.117 162 D HA -0.055 4.584 4.640 -0.002 0.000 0.197 162 D C 2.212 178.674 176.300 0.270 0.000 0.987 162 D CA 0.463 54.581 54.000 0.197 0.000 0.829 162 D CB -0.230 40.646 40.800 0.127 0.000 0.961 162 D HN 0.230 nan 8.370 nan 0.000 0.460 163 L N 0.752 122.133 121.223 0.265 0.000 2.083 163 L HA -0.152 4.186 4.340 -0.002 0.000 0.209 163 L C 2.531 179.684 176.870 0.472 0.000 1.083 163 L CA 0.827 55.892 54.840 0.375 0.000 0.752 163 L CB -0.402 41.892 42.059 0.393 0.000 0.899 163 L HN -0.067 nan 8.230 nan 0.000 0.433 164 S N -1.034 114.833 115.700 0.280 0.000 2.382 164 S HA -0.235 4.233 4.470 -0.002 0.000 0.228 164 S C 1.855 176.460 174.600 0.010 0.000 1.027 164 S CA 1.311 59.370 58.200 -0.234 0.000 0.991 164 S CB -0.417 62.243 63.200 -0.900 0.000 0.823 164 S HN 0.416 nan 8.310 nan 0.000 0.469 165 Y N 2.488 122.897 120.300 0.183 0.000 2.163 165 Y HA -0.160 4.388 4.550 -0.002 0.000 0.288 165 Y C 2.218 178.318 175.900 0.332 0.000 1.136 165 Y CA 1.194 59.515 58.100 0.368 0.000 1.147 165 Y CB -0.622 38.079 38.460 0.401 0.000 0.987 165 Y HN 0.016 nan 8.280 nan 0.000 0.509 166 V N 0.672 120.862 119.914 0.458 0.000 2.255 166 V HA -0.365 3.754 4.120 -0.002 0.000 0.247 166 V C 2.698 179.002 176.094 0.351 0.000 1.051 166 V CA 2.063 64.595 62.300 0.386 0.000 1.018 166 V CB -1.710 30.313 31.823 0.334 0.000 0.641 166 V HN 0.570 nan 8.190 nan 0.000 0.445 167 A N -1.118 121.905 122.820 0.338 0.000 1.972 167 A HA -0.294 4.025 4.320 -0.002 0.000 0.219 167 A C 2.252 179.968 177.584 0.221 0.000 1.169 167 A CA 2.129 54.397 52.037 0.386 0.000 0.635 167 A CB -0.463 18.823 19.000 0.478 0.000 0.810 167 A HN 0.635 nan 8.150 nan 0.000 0.446 168 Q N -2.140 117.629 119.800 -0.052 0.000 2.123 168 Q HA -0.087 4.251 4.340 -0.002 0.000 0.196 168 Q C 0.722 176.390 176.000 -0.554 0.000 0.958 168 Q CA 1.293 56.855 55.803 -0.403 0.000 0.841 168 Q CB 0.025 28.349 28.738 -0.691 0.000 0.915 168 Q HN 0.774 nan 8.270 nan 0.000 0.455 169 Y N -0.810 119.349 120.300 -0.234 0.000 2.557 169 Y HA 0.039 4.588 4.550 -0.002 0.000 0.247 169 Y C 1.352 177.145 175.900 -0.179 0.000 1.164 169 Y CA -0.846 57.079 58.100 -0.292 0.000 1.218 169 Y CB -0.225 37.969 38.460 -0.444 0.000 1.210 169 Y HN 0.324 nan 8.280 nan 0.000 0.529 170 W N 0.720 122.063 121.300 0.072 0.000 2.308 170 W HA -0.291 4.368 4.660 -0.002 0.000 0.301 170 W C 0.759 177.336 176.519 0.096 0.000 1.220 170 W CA 1.577 58.989 57.345 0.113 0.000 1.240 170 W CB -0.928 28.606 29.460 0.123 0.000 1.142 170 W HN 0.209 nan 8.180 nan 0.000 0.521 171 N N 1.122 119.261 118.700 -0.934 0.000 2.413 171 N HA -0.056 4.683 4.740 -0.002 0.000 0.207 171 N C -0.022 175.232 175.510 -0.427 0.000 1.206 171 N CA 0.218 52.676 53.050 -0.987 0.000 0.832 171 N CB 0.043 37.485 38.487 -1.740 0.000 1.037 171 N HN 0.134 nan 8.380 nan 0.000 0.467 172 Q N 0.405 120.097 119.800 -0.180 0.000 2.387 172 Q HA 0.197 4.535 4.340 -0.002 0.000 0.273 172 Q C 0.187 176.195 176.000 0.013 0.000 1.089 172 Q CA -0.487 55.272 55.803 -0.074 0.000 0.824 172 Q CB 1.852 30.580 28.738 -0.016 0.000 1.367 172 Q HN 0.216 nan 8.270 nan 0.000 0.443 173 T N -1.622 112.935 114.554 0.005 0.000 2.701 173 T HA 0.693 5.042 4.350 -0.002 0.000 0.303 173 T C 0.538 175.256 174.700 0.029 0.000 1.030 173 T CA 0.236 62.352 62.100 0.027 0.000 1.010 173 T CB 0.973 69.833 68.868 -0.014 0.000 1.007 173 T HN 0.743 nan 8.240 nan 0.000 0.532 174 G N -0.657 108.145 108.800 0.004 0.000 2.341 174 G HA2 0.446 4.405 3.960 -0.002 0.000 0.299 174 G HA3 0.446 4.405 3.960 -0.002 0.000 0.299 174 G C -2.048 172.806 174.900 -0.077 0.000 1.274 174 G CA -1.114 44.005 45.100 0.032 0.000 0.853 174 G HN 0.688 nan 8.290 nan 0.000 0.493 175 Y N 1.634 121.990 120.300 0.094 0.000 2.376 175 Y HA 0.416 4.965 4.550 -0.002 0.000 0.325 175 Y C 1.054 177.009 175.900 0.092 0.000 1.199 175 Y CA -0.170 57.977 58.100 0.080 0.000 1.206 175 Y CB 1.150 39.645 38.460 0.058 0.000 1.229 175 Y HN 0.660 nan 8.280 nan 0.000 0.480 176 D N 1.659 122.182 120.400 0.206 0.000 2.414 176 D HA -0.028 4.611 4.640 -0.002 0.000 0.251 176 D C 1.251 177.591 176.300 0.067 0.000 1.252 176 D CA -0.335 53.728 54.000 0.105 0.000 0.999 176 D CB 0.625 41.452 40.800 0.045 0.000 1.093 176 D HN 0.716 nan 8.370 nan 0.000 0.515 177 L N -2.707 118.437 121.223 -0.132 0.000 2.265 177 L HA 0.043 4.382 4.340 -0.002 0.000 0.215 177 L C 1.552 178.373 176.870 -0.082 0.000 1.117 177 L CA 0.527 55.224 54.840 -0.239 0.000 0.782 177 L CB -0.673 40.945 42.059 -0.735 0.000 0.914 177 L HN 0.368 nan 8.230 nan 0.000 0.441 178 W N 0.808 122.131 121.300 0.038 0.000 3.256 178 W HA 0.203 4.862 4.660 -0.003 0.000 0.269 178 W C 0.435 176.962 176.519 0.012 0.000 1.310 178 W CA -0.347 57.005 57.345 0.012 0.000 1.673 178 W CB 0.030 29.489 29.460 -0.001 0.000 1.115 178 W HN 0.228 nan 8.180 nan 0.000 0.686 179 E N 0.008 120.348 120.200 0.233 0.000 2.637 179 E HA -0.275 4.073 4.350 -0.002 0.000 0.265 179 E C 0.194 176.821 176.600 0.045 0.000 1.073 179 E CA 1.026 57.487 56.400 0.102 0.000 0.778 179 E CB -1.807 27.891 29.700 -0.003 0.000 1.362 179 E HN 0.600 nan 8.360 nan 0.000 0.413 180 E N -0.806 119.530 120.200 0.227 0.000 2.505 180 E HA 0.128 4.477 4.350 -0.002 0.000 0.212 180 E C -0.068 176.692 176.600 0.267 0.000 0.825 180 E CA 0.106 56.626 56.400 0.199 0.000 1.333 180 E CB 1.181 30.954 29.700 0.122 0.000 1.319 180 E HN 0.009 nan 8.360 nan 0.000 0.658 181 V N 2.618 122.653 119.914 0.202 0.000 2.370 181 V HA 0.170 4.289 4.120 -0.002 0.000 0.283 181 V C -0.332 175.649 176.094 -0.188 0.000 1.023 181 V CA -0.717 61.599 62.300 0.027 0.000 0.857 181 V CB 1.284 33.107 31.823 -0.000 0.000 0.985 181 V HN 0.189 nan 8.190 nan 0.000 0.443 182 N N 3.794 122.255 118.700 -0.398 0.000 2.469 182 N HA 0.537 5.276 4.740 -0.002 0.000 0.239 182 N C 0.239 175.602 175.510 -0.246 0.000 1.053 182 N CA 0.447 53.092 53.050 -0.675 0.000 0.937 182 N CB 0.774 38.809 38.487 -0.755 0.000 1.163 182 N HN 0.919 nan 8.380 nan 0.000 0.509 183 G N 1.207 109.929 108.800 -0.130 0.000 2.704 183 G HA2 0.152 4.110 3.960 -0.002 0.000 0.118 183 G HA3 0.152 4.110 3.960 -0.002 0.000 0.118 183 G C -1.665 173.318 174.900 0.139 0.000 1.197 183 G CA -0.278 44.841 45.100 0.030 0.000 1.152 183 G HN 0.374 nan 8.290 nan 0.000 0.571 184 S N -0.330 115.540 115.700 0.284 0.000 2.647 184 S HA 0.710 5.178 4.470 -0.002 0.000 0.300 184 S C -0.973 173.957 174.600 0.549 0.000 1.129 184 S CA -0.187 58.296 58.200 0.472 0.000 1.029 184 S CB 1.352 64.933 63.200 0.635 0.000 1.007 184 S HN 0.855 nan 8.310 nan 0.000 0.484 185 S N 3.341 119.293 115.700 0.420 0.000 2.482 185 S HA 0.490 4.958 4.470 -0.002 0.000 0.303 185 S C 0.542 175.107 174.600 -0.059 0.000 1.091 185 S CA -0.709 57.635 58.200 0.241 0.000 1.057 185 S CB 0.641 63.934 63.200 0.155 0.000 1.031 185 S HN 0.717 nan 8.310 nan 0.000 0.485 186 F N 5.232 124.854 119.950 -0.547 0.000 2.069 186 F HA -0.086 4.440 4.527 -0.002 0.000 0.298 186 F C 1.572 177.079 175.800 -0.488 0.000 1.113 186 F CA 2.052 59.406 58.000 -1.077 0.000 1.214 186 F CB -0.459 37.980 39.000 -0.935 0.000 0.978 186 F HN 0.799 nan 8.300 nan 0.000 0.474 187 F N 1.324 121.101 119.950 -0.289 0.000 2.063 187 F HA -0.299 4.226 4.527 -0.002 0.000 0.298 187 F C 2.376 178.003 175.800 -0.289 0.000 1.109 187 F CA 2.719 60.564 58.000 -0.258 0.000 1.212 187 F CB -1.106 37.816 39.000 -0.130 0.000 0.973 187 F HN 0.007 nan 8.300 nan 0.000 0.480 188 T N 1.948 116.464 114.554 -0.062 0.000 2.652 188 T HA -0.212 4.137 4.350 -0.002 0.000 0.267 188 T C 2.045 176.636 174.700 -0.181 0.000 1.039 188 T CA 1.859 63.919 62.100 -0.066 0.000 1.153 188 T CB -0.442 68.503 68.868 0.129 0.000 0.863 188 T HN 0.181 nan 8.240 nan 0.000 0.428 189 I N 1.870 122.317 120.570 -0.204 0.000 2.163 189 I HA -0.149 4.020 4.170 -0.002 0.000 0.243 189 I C 2.971 178.888 176.117 -0.334 0.000 1.085 189 I CA 1.306 62.506 61.300 -0.167 0.000 1.347 189 I CB -1.783 36.145 38.000 -0.121 0.000 1.044 189 I HN 0.208 nan 8.210 nan 0.000 0.408 190 A N 1.218 123.649 122.820 -0.648 0.000 1.865 190 A HA -0.184 4.135 4.320 -0.002 0.000 0.217 190 A C 2.429 179.740 177.584 -0.454 0.000 1.191 190 A CA 2.767 54.434 52.037 -0.615 0.000 0.623 190 A CB -1.187 17.254 19.000 -0.931 0.000 0.826 190 A HN 0.367 nan 8.150 nan 0.000 0.444 191 V N -2.475 117.103 119.914 -0.559 0.000 2.626 191 V HA -0.247 3.871 4.120 -0.002 0.000 0.252 191 V C 2.074 177.980 176.094 -0.314 0.000 1.067 191 V CA 2.190 64.195 62.300 -0.491 0.000 1.081 191 V CB -1.093 30.352 31.823 -0.629 0.000 0.686 191 V HN 0.603 nan 8.190 nan 0.000 0.468 192 Q N -0.368 119.304 119.800 -0.212 0.000 2.079 192 Q HA -0.175 4.163 4.340 -0.002 0.000 0.200 192 Q C 2.378 178.319 176.000 -0.099 0.000 0.974 192 Q CA 1.801 57.557 55.803 -0.077 0.000 0.840 192 Q CB -0.416 28.345 28.738 0.039 0.000 0.898 192 Q HN 0.887 nan 8.270 nan 0.000 0.430 193 H N 1.047 119.988 119.070 -0.216 0.000 2.321 193 H HA -0.136 4.419 4.556 -0.002 0.000 0.300 193 H C 2.215 177.393 175.328 -0.249 0.000 1.087 193 H CA 1.693 57.623 56.048 -0.198 0.000 1.319 193 H CB 0.132 29.797 29.762 -0.161 0.000 1.379 193 H HN 0.104 nan 8.280 nan 0.000 0.501 194 R N 0.627 120.807 120.500 -0.534 0.000 2.080 194 R HA -0.137 4.202 4.340 -0.002 0.000 0.236 194 R C 2.547 178.535 176.300 -0.520 0.000 1.137 194 R CA 1.563 57.096 56.100 -0.944 0.000 0.943 194 R CB -0.487 29.129 30.300 -1.140 0.000 0.846 194 R HN 0.347 nan 8.270 nan 0.000 0.431 195 A N 1.381 124.005 122.820 -0.327 0.000 1.917 195 A HA -0.173 4.146 4.320 -0.002 0.000 0.219 195 A C 2.297 179.836 177.584 -0.075 0.000 1.182 195 A CA 1.599 53.547 52.037 -0.150 0.000 0.633 195 A CB -0.647 18.309 19.000 -0.073 0.000 0.819 195 A HN 0.396 nan 8.150 nan 0.000 0.448 196 L N -0.669 120.496 121.223 -0.096 0.000 2.056 196 L HA -0.155 4.184 4.340 -0.002 0.000 0.207 196 L C 2.555 179.381 176.870 -0.074 0.000 1.078 196 L CA 1.159 55.965 54.840 -0.056 0.000 0.749 196 L CB -0.663 41.368 42.059 -0.047 0.000 0.901 196 L HN 0.272 nan 8.230 nan 0.000 0.433 197 V N 0.741 120.577 119.914 -0.130 0.000 2.270 197 V HA -0.263 3.856 4.120 -0.002 0.000 0.245 197 V C 2.465 178.594 176.094 0.060 0.000 1.043 197 V CA 2.187 64.470 62.300 -0.028 0.000 1.014 197 V CB -0.728 31.121 31.823 0.044 0.000 0.645 197 V HN 0.632 nan 8.190 nan 0.000 0.447 198 E N 0.894 121.142 120.200 0.080 0.000 2.274 198 E HA -0.061 4.288 4.350 -0.002 0.000 0.194 198 E C 2.219 178.895 176.600 0.128 0.000 0.996 198 E CA 1.173 57.647 56.400 0.125 0.000 0.840 198 E CB -0.559 29.222 29.700 0.135 0.000 0.772 198 E HN 0.511 nan 8.360 nan 0.000 0.491 199 G N 1.401 110.265 108.800 0.106 0.000 2.402 199 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.216 199 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.216 199 G C 1.707 176.686 174.900 0.132 0.000 1.162 199 G CA 0.830 46.044 45.100 0.189 0.000 0.777 199 G HN 0.355 nan 8.290 nan 0.000 0.539 200 S N 0.644 116.355 115.700 0.019 0.000 2.355 200 S HA 0.065 4.534 4.470 -0.002 0.000 0.222 200 S C 2.743 177.301 174.600 -0.070 0.000 1.031 200 S CA 1.589 59.746 58.200 -0.071 0.000 0.993 200 S CB -0.454 62.695 63.200 -0.086 0.000 0.859 200 S HN 0.519 nan 8.310 nan 0.000 0.453 201 A N 0.488 123.309 122.820 0.001 0.000 1.902 201 A HA 0.004 4.322 4.320 -0.002 0.000 0.217 201 A C 1.968 179.554 177.584 0.004 0.000 1.181 201 A CA 1.553 53.591 52.037 0.001 0.000 0.623 201 A CB -1.036 17.994 19.000 0.050 0.000 0.818 201 A HN 0.647 nan 8.150 nan 0.000 0.443 202 F N 1.031 120.930 119.950 -0.084 0.000 2.102 202 F HA -0.058 4.467 4.527 -0.002 0.000 0.298 202 F C 2.549 178.161 175.800 -0.314 0.000 1.105 202 F CA 0.979 58.918 58.000 -0.102 0.000 1.239 202 F CB -0.600 38.416 39.000 0.027 0.000 0.991 202 F HN 0.256 nan 8.300 nan 0.000 0.474 203 A N -0.434 122.062 122.820 -0.539 0.000 1.892 203 A HA -0.246 4.072 4.320 -0.002 0.000 0.218 203 A C 2.225 179.343 177.584 -0.777 0.000 1.188 203 A CA 2.608 53.983 52.037 -1.102 0.000 0.631 203 A CB -1.514 16.994 19.000 -0.819 0.000 0.822 203 A HN 0.446 nan 8.150 nan 0.000 0.447 204 T N 0.195 114.476 114.554 -0.454 0.000 2.746 204 T HA 0.006 4.355 4.350 -0.002 0.000 0.267 204 T C 2.207 176.709 174.700 -0.330 0.000 1.039 204 T CA 1.534 63.439 62.100 -0.325 0.000 1.142 204 T CB -0.487 68.261 68.868 -0.200 0.000 0.866 204 T HN 0.632 nan 8.240 nan 0.000 0.444 205 A N 1.430 124.043 122.820 -0.344 0.000 1.940 205 A HA -0.073 4.246 4.320 -0.002 0.000 0.219 205 A C 2.526 179.889 177.584 -0.369 0.000 1.176 205 A CA 1.836 53.695 52.037 -0.296 0.000 0.631 205 A CB -0.899 17.966 19.000 -0.226 0.000 0.814 205 A HN 0.544 nan 8.150 nan 0.000 0.446 206 V N -3.653 115.921 119.914 -0.568 0.000 3.623 206 V HA 0.488 4.606 4.120 -0.002 0.000 0.271 206 V C 1.267 177.126 176.094 -0.391 0.000 1.248 206 V CA 0.946 62.932 62.300 -0.522 0.000 1.156 206 V CB -0.804 30.578 31.823 -0.735 0.000 0.870 206 V HN 1.652 nan 8.190 nan 0.000 0.453 207 G N -0.179 108.405 108.800 -0.360 0.000 2.142 207 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.225 207 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.225 207 G C 0.125 174.879 174.900 -0.244 0.000 1.015 207 G CA 0.589 45.543 45.100 -0.243 0.000 0.716 207 G HN 1.091 nan 8.290 nan 0.000 0.508 208 S N -1.268 114.204 115.700 -0.381 0.000 2.894 208 S HA 0.945 5.414 4.470 -0.002 0.000 0.298 208 S C 0.267 174.687 174.600 -0.300 0.000 1.054 208 S CA 0.969 58.985 58.200 -0.307 0.000 0.903 208 S CB 1.697 64.653 63.200 -0.406 0.000 1.356 208 S HN 1.906 nan 8.310 nan 0.000 0.626 209 S N -1.096 114.474 115.700 -0.216 0.000 2.588 209 S HA 0.568 5.037 4.470 -0.002 0.000 0.269 209 S C -1.347 173.116 174.600 -0.228 0.000 1.157 209 S CA -0.718 57.354 58.200 -0.214 0.000 0.824 209 S CB 0.959 64.088 63.200 -0.118 0.000 1.126 209 S HN 0.865 nan 8.310 nan 0.000 0.464 210 C N 2.900 121.963 119.300 -0.394 0.000 3.445 210 C HA 0.609 5.068 4.460 -0.002 0.000 0.213 210 C C 1.832 176.413 174.990 -0.683 0.000 1.319 210 C CA 0.164 58.676 59.018 -0.844 0.000 1.402 210 C CB -1.076 26.302 27.740 -0.604 0.000 1.819 210 C HN 1.100 nan 8.230 nan 0.000 0.491 211 S N 1.819 117.252 115.700 -0.445 0.000 2.383 211 S HA -0.213 4.255 4.470 -0.002 0.000 0.229 211 S C 1.519 176.113 174.600 -0.011 0.000 1.030 211 S CA 1.777 59.920 58.200 -0.095 0.000 1.002 211 S CB -0.506 62.750 63.200 0.092 0.000 0.829 211 S HN 0.995 nan 8.310 nan 0.000 0.467 212 W N 0.670 122.001 121.300 0.053 0.000 2.467 212 W HA 0.188 4.847 4.660 -0.001 0.000 0.275 212 W C 2.045 178.602 176.519 0.064 0.000 1.239 212 W CA 0.149 57.525 57.345 0.052 0.000 1.266 212 W CB -1.162 28.319 29.460 0.034 0.000 1.112 212 W HN 0.263 nan 8.180 nan 0.000 0.576 213 C N 1.555 120.655 119.300 -0.335 0.000 2.453 213 C HA -0.174 4.285 4.460 -0.002 0.000 0.277 213 C C 2.434 177.382 174.990 -0.070 0.000 1.262 213 C CA 1.456 60.370 59.018 -0.173 0.000 1.718 213 C CB -1.083 26.512 27.740 -0.243 0.000 2.031 213 C HN 0.348 nan 8.230 nan 0.000 0.480 214 D N 1.328 121.675 120.400 -0.088 0.000 2.117 214 D HA -0.101 4.538 4.640 -0.002 0.000 0.197 214 D C 2.338 178.649 176.300 0.018 0.000 0.987 214 D CA 2.000 55.980 54.000 -0.033 0.000 0.829 214 D CB -0.584 40.189 40.800 -0.045 0.000 0.961 214 D HN 0.625 nan 8.370 nan 0.000 0.460 215 S N 0.056 115.788 115.700 0.053 0.000 2.414 215 S HA -0.091 4.378 4.470 -0.002 0.000 0.227 215 S C 1.781 176.438 174.600 0.095 0.000 1.022 215 S CA 0.596 58.846 58.200 0.083 0.000 0.958 215 S CB -0.033 63.234 63.200 0.112 0.000 0.797 215 S HN 0.053 nan 8.310 nan 0.000 0.493 216 Q N 1.289 121.151 119.800 0.104 0.000 2.250 216 Q HA 0.349 4.688 4.340 -0.002 0.000 0.200 216 Q C 2.554 178.510 176.000 -0.074 0.000 0.941 216 Q CA 1.169 57.012 55.803 0.067 0.000 0.872 216 Q CB -0.998 27.840 28.738 0.167 0.000 0.965 216 Q HN 0.650 nan 8.270 nan 0.000 0.480 217 A N 2.392 125.200 122.820 -0.021 0.000 1.873 217 A HA -0.169 4.150 4.320 -0.002 0.000 0.218 217 A C -0.417 177.242 177.584 0.125 0.000 1.193 217 A CA 1.726 53.785 52.037 0.037 0.000 0.629 217 A CB -1.689 17.311 19.000 -0.001 0.000 0.826 217 A HN 0.268 nan 8.150 nan 0.000 0.447 218 P HA -0.163 nan 4.420 nan 0.000 0.216 218 P C 1.368 178.669 177.300 0.003 0.000 1.150 218 P CA 1.238 64.378 63.100 0.066 0.000 0.837 218 P CB -0.114 31.623 31.700 0.062 0.000 0.786 219 Q N -0.766 119.008 119.800 -0.043 0.000 2.123 219 Q HA -0.026 4.313 4.340 -0.002 0.000 0.199 219 Q C 2.319 178.133 176.000 -0.309 0.000 0.966 219 Q CA 1.062 56.818 55.803 -0.078 0.000 0.845 219 Q CB -0.769 27.999 28.738 0.051 0.000 0.907 219 Q HN 0.374 nan 8.270 nan 0.000 0.439 220 I N 0.350 120.587 120.570 -0.554 0.000 2.252 220 I HA -0.269 3.900 4.170 -0.002 0.000 0.245 220 I C 2.269 178.280 176.117 -0.178 0.000 1.102 220 I CA 0.574 61.523 61.300 -0.586 0.000 1.385 220 I CB -0.278 37.403 38.000 -0.532 0.000 1.064 220 I HN 0.142 nan 8.210 nan 0.000 0.414 221 L N 0.476 121.578 121.223 -0.201 0.000 2.012 221 L HA -0.276 4.063 4.340 -0.002 0.000 0.210 221 L C 2.668 179.524 176.870 -0.023 0.000 1.073 221 L CA 1.803 56.485 54.840 -0.262 0.000 0.748 221 L CB -0.691 41.135 42.059 -0.390 0.000 0.891 221 L HN 0.356 nan 8.230 nan 0.000 0.431 222 c N -1.181 117.437 118.600 0.029 0.000 2.393 222 c HA -0.276 4.293 4.570 -0.002 0.000 0.276 222 c C 2.732 176.954 174.090 0.220 0.000 1.215 222 c CA 1.309 57.706 56.329 0.113 0.000 1.743 222 c CB -1.140 41.437 42.510 0.112 0.000 2.044 222 c HN 0.730 nan 8.230 nan 0.000 0.464 223 Y N 0.896 121.261 120.300 0.109 0.000 2.165 223 Y HA -0.130 4.419 4.550 -0.002 0.000 0.286 223 Y C 2.124 178.233 175.900 0.348 0.000 1.155 223 Y CA 1.862 60.090 58.100 0.213 0.000 1.164 223 Y CB -1.055 37.573 38.460 0.280 0.000 0.978 223 Y HN 0.321 nan 8.280 nan 0.000 0.513 224 L N 0.738 122.073 121.223 0.187 0.000 2.129 224 L HA -0.283 4.056 4.340 -0.002 0.000 0.212 224 L C 2.153 179.336 176.870 0.520 0.000 1.087 224 L CA 1.889 56.887 54.840 0.264 0.000 0.757 224 L CB -0.764 41.360 42.059 0.109 0.000 0.896 224 L HN 0.293 nan 8.230 nan 0.000 0.434 225 Q N -1.113 118.940 119.800 0.423 0.000 2.170 225 Q HA -0.130 4.208 4.340 -0.002 0.000 0.203 225 Q C 2.286 178.546 176.000 0.434 0.000 0.976 225 Q CA 1.562 57.631 55.803 0.444 0.000 0.858 225 Q CB -0.686 28.207 28.738 0.259 0.000 0.907 225 Q HN 0.528 nan 8.270 nan 0.000 0.433 226 S N 0.540 116.424 115.700 0.307 0.000 2.469 226 S HA -0.034 4.435 4.470 -0.002 0.000 0.238 226 S C 1.320 176.073 174.600 0.255 0.000 0.998 226 S CA 0.534 58.867 58.200 0.223 0.000 0.957 226 S CB -0.253 62.984 63.200 0.063 0.000 0.764 226 S HN 0.308 nan 8.310 nan 0.000 0.514 227 F N 0.059 120.174 119.950 0.275 0.000 2.558 227 F HA 0.124 4.650 4.527 -0.002 0.000 0.298 227 F C 1.095 176.949 175.800 0.090 0.000 1.119 227 F CA -0.322 57.722 58.000 0.074 0.000 1.451 227 F CB -0.018 38.992 39.000 0.016 0.000 1.091 227 F HN 0.315 nan 8.300 nan 0.000 0.563 228 W N 2.689 124.134 121.300 0.242 0.000 2.356 228 W HA 0.105 4.764 4.660 -0.002 0.000 0.311 228 W C 0.983 177.509 176.519 0.012 0.000 1.328 228 W CA 0.157 57.598 57.345 0.160 0.000 1.251 228 W CB 1.141 30.766 29.460 0.275 0.000 1.280 228 W HN -0.004 nan 8.180 nan 0.000 0.524 229 T N 1.428 115.497 114.554 -0.808 0.000 3.060 229 T HA 0.233 4.582 4.350 -0.002 0.000 0.249 229 T C 1.260 175.482 174.700 -0.796 0.000 1.079 229 T CA 0.866 62.541 62.100 -0.710 0.000 1.013 229 T CB 0.341 68.712 68.868 -0.827 0.000 0.975 229 T HN 0.906 nan 8.240 nan 0.000 0.518 230 G N 0.914 108.856 108.800 -1.430 0.000 2.316 230 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.203 230 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.203 230 G C 1.071 175.554 174.900 -0.695 0.000 0.999 230 G CA 0.581 45.234 45.100 -0.745 0.000 0.649 230 G HN 1.217 nan 8.290 nan 0.000 0.489 231 S N -1.289 113.840 115.700 -0.951 0.000 2.653 231 S HA 0.600 5.069 4.470 -0.002 0.000 0.259 231 S C 0.245 174.708 174.600 -0.228 0.000 1.076 231 S CA 0.887 58.864 58.200 -0.372 0.000 1.051 231 S CB 0.504 63.674 63.200 -0.050 0.000 0.994 231 S HN 1.891 nan 8.310 nan 0.000 0.552 232 Y N -0.393 119.533 120.300 -0.624 0.000 2.725 232 Y HA 0.758 5.306 4.550 -0.002 0.000 0.333 232 Y C -1.572 174.234 175.900 -0.158 0.000 1.242 232 Y CA -1.949 56.043 58.100 -0.180 0.000 1.059 232 Y CB 0.422 38.839 38.460 -0.072 0.000 1.306 232 Y HN -0.030 nan 8.280 nan 0.000 0.454 233 I N 2.923 123.609 120.570 0.194 0.000 2.325 233 I HA 0.226 4.394 4.170 -0.002 0.000 0.291 233 I C -0.583 175.503 176.117 -0.053 0.000 1.019 233 I CA -0.594 60.690 61.300 -0.026 0.000 1.302 233 I CB 1.182 38.950 38.000 -0.387 0.000 1.401 233 I HN 0.504 nan 8.210 nan 0.000 0.485 234 L N 6.860 127.996 121.223 -0.144 0.000 2.410 234 L HA 0.202 4.541 4.340 -0.002 0.000 0.273 234 L C 1.290 178.166 176.870 0.009 0.000 1.144 234 L CA 0.604 55.384 54.840 -0.100 0.000 0.863 234 L CB 1.213 43.075 42.059 -0.328 0.000 1.140 234 L HN 0.786 nan 8.230 nan 0.000 0.463 235 A N 4.589 127.426 122.820 0.029 0.000 1.898 235 A HA 0.011 4.330 4.320 -0.002 0.000 0.216 235 A C 0.690 178.344 177.584 0.117 0.000 1.181 235 A CA 1.137 53.207 52.037 0.054 0.000 0.620 235 A CB -0.280 18.752 19.000 0.055 0.000 0.819 235 A HN 0.798 nan 8.150 nan 0.000 0.442 236 N N -2.056 116.678 118.700 0.056 0.000 2.331 236 N HA 0.459 5.198 4.740 -0.002 0.000 0.280 236 N C -1.871 173.583 175.510 -0.092 0.000 1.155 236 N CA -0.420 52.683 53.050 0.089 0.000 0.822 236 N CB 1.368 39.893 38.487 0.063 0.000 1.619 236 N HN 0.080 nan 8.380 nan 0.000 0.476 237 F N 0.826 120.867 119.950 0.151 0.000 2.379 237 F HA 0.258 4.784 4.527 -0.002 0.000 0.332 237 F C 0.793 176.617 175.800 0.040 0.000 1.096 237 F CA 0.048 58.072 58.000 0.041 0.000 1.105 237 F CB 0.545 39.545 39.000 0.000 0.000 1.189 237 F HN 0.429 nan 8.300 nan 0.000 0.515 238 D N 0.768 121.289 120.400 0.203 0.000 2.956 238 D HA -0.175 4.464 4.640 -0.002 0.000 0.223 238 D C -0.442 175.887 176.300 0.049 0.000 1.102 238 D CA 0.482 54.542 54.000 0.100 0.000 0.797 238 D CB -1.263 39.579 40.800 0.070 0.000 1.094 238 D HN 0.359 nan 8.370 nan 0.000 0.438 239 S N -0.756 114.969 115.700 0.041 0.000 2.548 239 S HA 0.559 5.028 4.470 -0.002 0.000 0.286 239 S C 0.911 175.513 174.600 0.003 0.000 1.098 239 S CA 0.185 58.387 58.200 0.003 0.000 0.930 239 S CB 1.835 65.021 63.200 -0.024 0.000 1.070 239 S HN 0.099 nan 8.310 nan 0.000 0.480 240 S N 2.879 118.577 115.700 -0.004 0.000 2.575 240 S HA 0.288 4.757 4.470 -0.002 0.000 0.215 240 S C 0.655 175.251 174.600 -0.007 0.000 0.966 240 S CA -0.449 57.751 58.200 -0.000 0.000 0.911 240 S CB -0.126 63.076 63.200 0.003 0.000 0.780 240 S HN 0.676 nan 8.310 nan 0.000 0.514 241 R N 1.618 122.105 120.500 -0.022 0.000 2.574 241 R HA 0.387 4.726 4.340 -0.002 0.000 0.266 241 R C 1.703 177.995 176.300 -0.013 0.000 1.157 241 R CA 0.305 56.389 56.100 -0.026 0.000 1.187 241 R CB 0.098 30.358 30.300 -0.066 0.000 1.179 241 R HN 0.345 nan 8.270 nan 0.000 0.600 242 S N -0.481 115.206 115.700 -0.020 0.000 2.383 242 S HA -0.043 4.426 4.470 -0.002 0.000 0.227 242 S C 1.534 176.167 174.600 0.055 0.000 1.026 242 S CA 0.834 59.028 58.200 -0.009 0.000 0.981 242 S CB -0.220 62.924 63.200 -0.093 0.000 0.818 242 S HN 0.977 nan 8.310 nan 0.000 0.472 243 G N 0.565 109.378 108.800 0.022 0.000 2.201 243 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.212 243 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.212 243 G C -0.093 174.865 174.900 0.096 0.000 0.994 243 G CA -0.097 45.058 45.100 0.092 0.000 0.644 243 G HN 0.556 nan 8.290 nan 0.000 0.508 244 K N 1.371 121.725 120.400 -0.076 0.000 2.349 244 K HA 0.500 4.819 4.320 -0.002 0.000 0.289 244 K C -0.903 175.703 176.600 0.010 0.000 1.064 244 K CA -0.038 56.146 56.287 -0.171 0.000 0.947 244 K CB 0.826 33.102 32.500 -0.373 0.000 1.007 244 K HN 0.211 nan 8.250 nan 0.000 0.478 245 D N 1.111 121.567 120.400 0.094 0.000 2.886 245 D HA 0.065 4.704 4.640 -0.002 0.000 0.216 245 D C 0.211 176.651 176.300 0.233 0.000 1.256 245 D CA -0.433 53.714 54.000 0.245 0.000 0.844 245 D CB 1.763 42.715 40.800 0.253 0.000 1.669 245 D HN 0.346 nan 8.370 nan 0.000 0.513 246 T N 1.395 116.124 114.554 0.293 0.000 3.025 246 T HA -0.135 4.213 4.350 -0.002 0.000 0.270 246 T C 1.577 176.408 174.700 0.217 0.000 1.126 246 T CA 0.837 63.061 62.100 0.207 0.000 1.105 246 T CB -0.187 68.751 68.868 0.116 0.000 0.884 246 T HN 0.462 nan 8.240 nan 0.000 0.522 247 N N 2.506 121.347 118.700 0.236 0.000 2.132 247 N HA -0.199 4.540 4.740 -0.002 0.000 0.191 247 N C 1.842 177.469 175.510 0.195 0.000 1.015 247 N CA 2.456 55.513 53.050 0.012 0.000 0.864 247 N CB -0.760 37.694 38.487 -0.054 0.000 1.006 247 N HN 0.576 nan 8.380 nan 0.000 0.430 248 T N -2.038 112.604 114.554 0.148 0.000 2.951 248 T HA -0.009 4.339 4.350 -0.002 0.000 0.268 248 T C 2.118 176.912 174.700 0.156 0.000 1.073 248 T CA 0.633 62.778 62.100 0.075 0.000 1.134 248 T CB -0.324 68.412 68.868 -0.220 0.000 0.884 248 T HN 0.059 nan 8.240 nan 0.000 0.479 249 L N 0.619 121.922 121.223 0.134 0.000 2.072 249 L HA 0.260 4.599 4.340 -0.002 0.000 0.205 249 L C 2.608 179.578 176.870 0.168 0.000 1.079 249 L CA 1.244 56.153 54.840 0.114 0.000 0.752 249 L CB -0.770 41.306 42.059 0.028 0.000 0.906 249 L HN 0.264 nan 8.230 nan 0.000 0.436 250 L N -1.138 120.223 121.223 0.230 0.000 2.042 250 L HA -0.172 4.166 4.340 -0.002 0.000 0.210 250 L C 2.552 179.724 176.870 0.503 0.000 1.076 250 L CA 1.451 56.511 54.840 0.367 0.000 0.749 250 L CB -1.362 40.896 42.059 0.332 0.000 0.893 250 L HN 0.411 nan 8.230 nan 0.000 0.432 251 G N -1.168 107.964 108.800 0.554 0.000 2.440 251 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.218 251 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.218 251 G C 1.823 176.867 174.900 0.240 0.000 1.154 251 G CA 1.143 46.438 45.100 0.324 0.000 0.767 251 G HN 0.370 nan 8.290 nan 0.000 0.552 252 S N 0.653 116.537 115.700 0.307 0.000 2.345 252 S HA -0.105 4.364 4.470 -0.002 0.000 0.220 252 S C 2.507 177.219 174.600 0.187 0.000 1.031 252 S CA 1.371 59.725 58.200 0.257 0.000 0.996 252 S CB -0.373 62.966 63.200 0.232 0.000 0.882 252 S HN 0.548 nan 8.310 nan 0.000 0.445 253 I N -1.129 119.490 120.570 0.082 0.000 2.394 253 I HA -0.059 4.110 4.170 -0.002 0.000 0.251 253 I C 1.890 177.995 176.117 -0.020 0.000 1.136 253 I CA 1.606 62.893 61.300 -0.021 0.000 1.425 253 I CB -0.730 37.177 38.000 -0.156 0.000 1.079 253 I HN 0.250 nan 8.210 nan 0.000 0.425 254 H N 1.308 120.506 119.070 0.213 0.000 2.547 254 H HA 0.098 4.653 4.556 -0.002 0.000 0.266 254 H C 1.645 177.001 175.328 0.047 0.000 0.988 254 H CA 1.450 57.582 56.048 0.140 0.000 1.147 254 H CB 0.042 29.885 29.762 0.135 0.000 1.365 254 H HN 0.615 nan 8.280 nan 0.000 0.589 255 T N -3.141 111.524 114.554 0.184 0.000 3.091 255 T HA 0.053 4.402 4.350 -0.002 0.000 0.277 255 T C 0.285 175.301 174.700 0.528 0.000 0.996 255 T CA -0.551 61.647 62.100 0.163 0.000 0.897 255 T CB -0.748 68.125 68.868 0.008 0.000 1.109 255 T HN -0.010 nan 8.240 nan 0.000 0.534 256 F N 3.613 123.731 119.950 0.281 0.000 2.608 256 F HA 0.404 4.930 4.527 -0.002 0.000 0.380 256 F C -0.113 175.878 175.800 0.320 0.000 1.083 256 F CA -1.008 57.140 58.000 0.246 0.000 1.266 256 F CB 0.348 39.419 39.000 0.118 0.000 1.076 256 F HN 0.085 nan 8.300 nan 0.000 0.574 257 D N 8.767 128.988 120.400 -0.298 0.000 2.481 257 D HA 0.293 4.932 4.640 -0.002 0.000 0.246 257 D C -1.995 173.797 176.300 -0.846 0.000 1.109 257 D CA -2.229 51.434 54.000 -0.561 0.000 0.845 257 D CB 2.163 42.568 40.800 -0.659 0.000 1.160 257 D HN 0.257 nan 8.370 nan 0.000 0.534 258 P HA -0.090 nan 4.420 nan 0.000 0.223 258 P C 0.670 177.947 177.300 -0.039 0.000 1.144 258 P CA 0.740 63.556 63.100 -0.472 0.000 0.783 258 P CB 0.672 32.181 31.700 -0.318 0.000 0.771 259 E N -0.569 119.546 120.200 -0.142 0.000 2.447 259 E HA 0.155 4.504 4.350 -0.002 0.000 0.195 259 E C 1.061 177.615 176.600 -0.076 0.000 1.028 259 E CA -0.030 56.322 56.400 -0.080 0.000 0.876 259 E CB -0.062 29.558 29.700 -0.132 0.000 0.885 259 E HN 0.173 nan 8.360 nan 0.000 0.500 260 A N 0.913 123.673 122.820 -0.100 0.000 2.322 260 A HA 0.558 4.877 4.320 -0.002 0.000 0.269 260 A C 0.837 178.440 177.584 0.032 0.000 1.094 260 A CA 0.229 52.228 52.037 -0.065 0.000 0.807 260 A CB 0.612 19.559 19.000 -0.088 0.000 1.047 260 A HN 0.127 nan 8.150 nan 0.000 0.487 261 G N -0.956 107.861 108.800 0.028 0.000 2.509 261 G HA2 0.363 4.322 3.960 -0.002 0.000 0.269 261 G HA3 0.363 4.322 3.960 -0.002 0.000 0.269 261 G C -0.008 174.941 174.900 0.082 0.000 1.416 261 G CA -0.109 45.032 45.100 0.068 0.000 1.052 261 G HN 0.864 nan 8.290 nan 0.000 0.542 262 c N 1.478 120.136 118.600 0.096 0.000 3.305 262 c HA 0.233 4.801 4.570 -0.002 0.000 0.566 262 c C -0.259 173.851 174.090 0.034 0.000 1.178 262 c CA -1.189 55.194 56.329 0.091 0.000 1.317 262 c CB -2.280 40.330 42.510 0.168 0.000 1.634 262 c HN 0.363 nan 8.230 nan 0.000 0.643 263 D N 1.348 121.756 120.400 0.014 0.000 2.339 263 D HA 0.045 4.684 4.640 -0.002 0.000 0.256 263 D C 0.807 177.039 176.300 -0.113 0.000 1.214 263 D CA 0.264 54.241 54.000 -0.037 0.000 0.877 263 D CB 0.794 41.583 40.800 -0.019 0.000 1.111 263 D HN 0.324 nan 8.370 nan 0.000 0.478 264 D N 0.579 120.853 120.400 -0.210 0.000 2.144 264 D HA -0.141 4.498 4.640 -0.002 0.000 0.200 264 D C 1.971 177.894 176.300 -0.628 0.000 0.978 264 D CA 0.951 54.691 54.000 -0.434 0.000 0.833 264 D CB 0.105 40.667 40.800 -0.397 0.000 0.961 264 D HN 0.383 nan 8.370 nan 0.000 0.470 265 S N -0.593 114.900 115.700 -0.345 0.000 2.419 265 S HA -0.127 4.342 4.470 -0.002 0.000 0.233 265 S C 1.823 176.342 174.600 -0.135 0.000 1.016 265 S CA 1.630 59.675 58.200 -0.257 0.000 0.974 265 S CB -0.514 62.623 63.200 -0.105 0.000 0.786 265 S HN 0.288 nan 8.310 nan 0.000 0.492 266 T N -2.977 111.554 114.554 -0.038 0.000 3.085 266 T HA 0.394 4.743 4.350 -0.002 0.000 0.264 266 T C 0.197 175.143 174.700 0.410 0.000 1.019 266 T CA -0.560 61.683 62.100 0.238 0.000 0.910 266 T CB -0.955 68.083 68.868 0.284 0.000 1.059 266 T HN 0.259 nan 8.240 nan 0.000 0.542 267 F N 1.563 121.590 119.950 0.129 0.000 3.027 267 F HA -0.182 4.344 4.527 -0.002 0.000 0.276 267 F C 0.610 176.500 175.800 0.151 0.000 0.967 267 F CA -0.068 58.018 58.000 0.144 0.000 0.929 267 F CB -2.361 36.820 39.000 0.302 0.000 0.873 267 F HN 0.296 nan 8.300 nan 0.000 0.787 268 Q N 0.356 120.282 119.800 0.210 0.000 2.474 268 Q HA 0.037 4.376 4.340 -0.002 0.000 0.256 268 Q C -1.071 175.007 176.000 0.130 0.000 1.048 268 Q CA -1.028 54.905 55.803 0.216 0.000 0.922 268 Q CB 0.246 29.103 28.738 0.197 0.000 1.288 268 Q HN 0.040 nan 8.270 nan 0.000 0.484 269 P HA -0.189 nan 4.420 nan 0.000 0.216 269 P C 1.149 178.350 177.300 -0.166 0.000 1.154 269 P CA 1.765 64.817 63.100 -0.081 0.000 0.865 269 P CB 0.048 31.602 31.700 -0.244 0.000 0.789 270 c N -3.360 115.145 118.600 -0.158 0.000 2.697 270 c HA 0.309 4.878 4.570 -0.002 0.000 0.267 270 c C 1.281 175.399 174.090 0.048 0.000 1.278 270 c CA -0.422 55.814 56.329 -0.156 0.000 1.708 270 c CB -1.869 40.445 42.510 -0.327 0.000 1.860 270 c HN 0.170 nan 8.230 nan 0.000 0.589 271 S N 1.926 117.637 115.700 0.018 0.000 2.568 271 S HA 0.252 4.721 4.470 -0.002 0.000 0.282 271 S C -1.416 173.179 174.600 -0.008 0.000 1.338 271 S CA -0.336 57.867 58.200 0.006 0.000 1.045 271 S CB 0.535 63.695 63.200 -0.068 0.000 0.873 271 S HN 0.249 nan 8.310 nan 0.000 0.516 272 P HA -0.151 nan 4.420 nan 0.000 0.216 272 P C 1.485 178.748 177.300 -0.063 0.000 1.154 272 P CA 1.443 64.559 63.100 0.026 0.000 0.865 272 P CB 0.033 31.750 31.700 0.028 0.000 0.789 273 R N -0.554 119.788 120.500 -0.263 0.000 2.073 273 R HA -0.064 4.275 4.340 -0.002 0.000 0.234 273 R C 2.352 178.640 176.300 -0.020 0.000 1.134 273 R CA 1.633 57.451 56.100 -0.471 0.000 0.952 273 R CB -1.140 28.539 30.300 -1.034 0.000 0.850 273 R HN 0.153 nan 8.270 nan 0.000 0.433 274 A N 1.061 123.893 122.820 0.020 0.000 1.930 274 A HA -0.086 4.233 4.320 -0.002 0.000 0.217 274 A C 2.160 179.756 177.584 0.021 0.000 1.175 274 A CA 1.044 53.141 52.037 0.100 0.000 0.627 274 A CB -0.402 18.655 19.000 0.096 0.000 0.815 274 A HN 0.155 nan 8.150 nan 0.000 0.443 275 L N -0.877 120.271 121.223 -0.124 0.000 2.027 275 L HA -0.143 4.196 4.340 -0.002 0.000 0.206 275 L C 3.113 179.917 176.870 -0.109 0.000 1.074 275 L CA 1.034 55.615 54.840 -0.431 0.000 0.745 275 L CB -0.606 41.014 42.059 -0.731 0.000 0.898 275 L HN 0.406 nan 8.230 nan 0.000 0.433 276 A N 0.552 123.436 122.820 0.105 0.000 1.908 276 A HA -0.290 4.029 4.320 -0.002 0.000 0.218 276 A C 2.041 179.818 177.584 0.322 0.000 1.181 276 A CA 2.334 54.542 52.037 0.285 0.000 0.627 276 A CB -0.898 18.350 19.000 0.412 0.000 0.818 276 A HN 0.529 nan 8.150 nan 0.000 0.445 277 N N -1.026 117.881 118.700 0.344 0.000 2.120 277 N HA -0.243 4.496 4.740 -0.002 0.000 0.188 277 N C 1.844 177.493 175.510 0.232 0.000 1.024 277 N CA 1.819 55.058 53.050 0.315 0.000 0.852 277 N CB -0.430 38.245 38.487 0.313 0.000 1.003 277 N HN 0.631 nan 8.380 nan 0.000 0.424 278 H N 0.717 119.862 119.070 0.126 0.000 2.289 278 H HA -0.172 4.383 4.556 -0.002 0.000 0.296 278 H C 1.958 177.428 175.328 0.236 0.000 1.091 278 H CA 2.056 58.185 56.048 0.134 0.000 1.274 278 H CB -0.206 29.601 29.762 0.075 0.000 1.364 278 H HN 0.293 nan 8.280 nan 0.000 0.490 279 K N 0.187 120.896 120.400 0.515 0.000 2.026 279 K HA -0.130 4.189 4.320 -0.002 0.000 0.208 279 K C 2.249 178.976 176.600 0.211 0.000 1.048 279 K CA 1.568 58.110 56.287 0.425 0.000 0.929 279 K CB 0.096 32.835 32.500 0.397 0.000 0.713 279 K HN 0.293 nan 8.250 nan 0.000 0.439 280 E N 0.312 120.604 120.200 0.154 0.000 2.077 280 E HA -0.164 4.185 4.350 -0.002 0.000 0.193 280 E C 2.104 178.663 176.600 -0.069 0.000 0.989 280 E CA 1.256 57.663 56.400 0.012 0.000 0.800 280 E CB -0.114 29.576 29.700 -0.017 0.000 0.746 280 E HN 0.177 nan 8.360 nan 0.000 0.452 281 V N 1.039 120.941 119.914 -0.020 0.000 2.229 281 V HA -0.219 3.900 4.120 -0.002 0.000 0.243 281 V C 2.620 178.761 176.094 0.078 0.000 1.042 281 V CA 1.416 63.707 62.300 -0.015 0.000 1.000 281 V CB -0.706 31.132 31.823 0.026 0.000 0.637 281 V HN 0.047 nan 8.190 nan 0.000 0.446 282 V N 0.479 120.453 119.914 0.100 0.000 2.282 282 V HA -0.329 3.790 4.120 -0.002 0.000 0.249 282 V C 2.299 178.525 176.094 0.219 0.000 1.057 282 V CA 2.424 64.860 62.300 0.226 0.000 1.032 282 V CB -0.883 31.062 31.823 0.204 0.000 0.645 282 V HN 0.557 nan 8.190 nan 0.000 0.447 283 D N 0.367 120.841 120.400 0.125 0.000 2.190 283 D HA -0.147 4.492 4.640 -0.002 0.000 0.200 283 D C 2.349 178.606 176.300 -0.073 0.000 0.992 283 D CA 1.692 55.722 54.000 0.049 0.000 0.854 283 D CB -0.327 40.491 40.800 0.029 0.000 0.936 283 D HN 0.633 nan 8.370 nan 0.000 0.462 284 S N -0.829 114.751 115.700 -0.200 0.000 2.507 284 S HA -0.110 4.358 4.470 -0.002 0.000 0.235 284 S C 1.494 175.702 174.600 -0.653 0.000 0.988 284 S CA 0.448 58.376 58.200 -0.454 0.000 0.944 284 S CB -0.456 62.389 63.200 -0.592 0.000 0.762 284 S HN 0.161 nan 8.310 nan 0.000 0.526 285 F N 1.180 120.999 119.950 -0.219 0.000 2.721 285 F HA 0.474 5.000 4.527 -0.002 0.000 0.301 285 F C 2.321 177.928 175.800 -0.322 0.000 1.096 285 F CA -0.739 57.021 58.000 -0.400 0.000 1.308 285 F CB -0.020 38.789 39.000 -0.318 0.000 1.086 285 F HN 0.042 nan 8.300 nan 0.000 0.587 286 R N 0.186 120.669 120.500 -0.028 0.000 2.073 286 R HA -0.126 4.212 4.340 -0.002 0.000 0.234 286 R C 1.956 178.231 176.300 -0.041 0.000 1.134 286 R CA 1.848 57.947 56.100 -0.001 0.000 0.952 286 R CB -0.603 29.707 30.300 0.017 0.000 0.850 286 R HN 0.278 nan 8.270 nan 0.000 0.433 287 S N -0.008 115.638 115.700 -0.089 0.000 2.577 287 S HA 0.089 4.558 4.470 -0.002 0.000 0.219 287 S C 1.597 176.140 174.600 -0.094 0.000 0.962 287 S CA -0.279 57.877 58.200 -0.074 0.000 0.921 287 S CB -0.148 63.009 63.200 -0.073 0.000 0.789 287 S HN 0.457 nan 8.310 nan 0.000 0.497 288 I N -3.568 116.897 120.570 -0.175 0.000 4.070 288 I HA 0.472 4.641 4.170 -0.002 0.000 0.328 288 I C -0.898 175.205 176.117 -0.023 0.000 1.298 288 I CA -0.560 60.638 61.300 -0.169 0.000 1.173 288 I CB 0.187 38.013 38.000 -0.290 0.000 1.051 288 I HN -0.013 nan 8.210 nan 0.000 0.409 289 Y N 1.376 121.673 120.300 -0.005 0.000 2.328 289 Y HA 0.418 4.967 4.550 -0.002 0.000 0.336 289 Y C 1.560 177.444 175.900 -0.027 0.000 0.960 289 Y CA -1.813 56.268 58.100 -0.032 0.000 1.134 289 Y CB 1.362 39.789 38.460 -0.054 0.000 1.166 289 Y HN -0.147 nan 8.280 nan 0.000 0.464 290 T N 2.575 117.205 114.554 0.127 0.000 2.849 290 T HA -0.169 4.179 4.350 -0.002 0.000 0.270 290 T C 1.943 176.676 174.700 0.054 0.000 1.066 290 T CA 1.244 63.379 62.100 0.059 0.000 1.130 290 T CB -0.138 68.746 68.868 0.026 0.000 0.864 290 T HN 0.511 nan 8.240 nan 0.000 0.481 291 L N 1.540 122.797 121.223 0.057 0.000 2.265 291 L HA 0.026 4.365 4.340 -0.002 0.000 0.215 291 L C 1.558 178.478 176.870 0.084 0.000 1.117 291 L CA 1.392 56.262 54.840 0.050 0.000 0.782 291 L CB -0.348 41.702 42.059 -0.015 0.000 0.914 291 L HN 0.131 nan 8.230 nan 0.000 0.441 292 N N -0.959 117.803 118.700 0.104 0.000 2.280 292 N HA 0.008 4.747 4.740 -0.002 0.000 0.192 292 N C -0.210 175.333 175.510 0.054 0.000 1.109 292 N CA 0.032 53.136 53.050 0.089 0.000 0.855 292 N CB -0.173 38.380 38.487 0.110 0.000 0.974 292 N HN 0.253 nan 8.380 nan 0.000 0.482 293 D N 0.013 120.440 120.400 0.046 0.000 2.533 293 D HA 0.236 4.875 4.640 -0.002 0.000 0.236 293 D C 1.526 177.839 176.300 0.021 0.000 1.137 293 D CA 1.236 55.252 54.000 0.027 0.000 0.867 293 D CB 0.407 41.221 40.800 0.023 0.000 1.170 293 D HN 0.351 nan 8.370 nan 0.000 0.474 294 G N 1.838 110.646 108.800 0.014 0.000 2.268 294 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.240 294 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.240 294 G C 0.474 175.378 174.900 0.008 0.000 1.010 294 G CA 0.013 45.118 45.100 0.008 0.000 0.618 294 G HN 0.489 nan 8.290 nan 0.000 0.516 295 L N 2.083 123.314 121.223 0.013 0.000 2.461 295 L HA 0.489 4.827 4.340 -0.002 0.000 0.272 295 L C 1.422 178.298 176.870 0.009 0.000 1.197 295 L CA 0.270 55.117 54.840 0.012 0.000 0.836 295 L CB 0.988 43.059 42.059 0.019 0.000 1.105 295 L HN 0.519 nan 8.230 nan 0.000 0.477 296 S N -0.349 115.353 115.700 0.003 0.000 2.713 296 S HA 0.192 4.661 4.470 -0.002 0.000 0.283 296 S C 0.390 174.991 174.600 0.001 0.000 1.161 296 S CA -0.746 57.451 58.200 -0.005 0.000 0.999 296 S CB 1.355 64.544 63.200 -0.018 0.000 1.039 296 S HN 0.648 nan 8.310 nan 0.000 0.548 297 D N 0.704 121.096 120.400 -0.013 0.000 2.351 297 D HA -0.042 4.597 4.640 -0.002 0.000 0.216 297 D C 1.373 177.623 176.300 -0.082 0.000 0.968 297 D CA 1.429 55.416 54.000 -0.020 0.000 0.899 297 D CB -0.094 40.687 40.800 -0.031 0.000 0.907 297 D HN 0.614 nan 8.370 nan 0.000 0.514 298 S N -0.984 114.655 115.700 -0.102 0.000 2.568 298 S HA 0.164 4.632 4.470 -0.002 0.000 0.232 298 S C 0.324 174.858 174.600 -0.111 0.000 0.975 298 S CA -0.550 57.518 58.200 -0.220 0.000 0.949 298 S CB 0.319 63.411 63.200 -0.180 0.000 0.829 298 S HN 0.061 nan 8.310 nan 0.000 0.479 299 E N 1.430 121.648 120.200 0.031 0.000 2.195 299 E HA 0.647 4.996 4.350 -0.002 0.000 0.271 299 E C -0.481 176.203 176.600 0.141 0.000 0.923 299 E CA -0.832 55.625 56.400 0.096 0.000 0.790 299 E CB 1.880 31.592 29.700 0.020 0.000 1.155 299 E HN 0.397 nan 8.360 nan 0.000 0.402 300 A N 2.095 124.861 122.820 -0.090 0.000 2.483 300 A HA 0.358 4.677 4.320 -0.002 0.000 0.238 300 A C 0.189 177.532 177.584 -0.402 0.000 1.070 300 A CA -0.292 51.275 52.037 -0.783 0.000 0.770 300 A CB 0.133 18.351 19.000 -1.305 0.000 1.008 300 A HN 0.412 nan 8.150 nan 0.000 0.497 301 V N -1.503 118.213 119.914 -0.330 0.000 3.141 301 V HA 0.898 5.017 4.120 -0.002 0.000 0.312 301 V C 0.213 176.412 176.094 0.174 0.000 1.157 301 V CA -0.656 61.655 62.300 0.017 0.000 1.041 301 V CB 1.269 33.161 31.823 0.116 0.000 1.071 301 V HN 1.753 nan 8.190 nan 0.000 0.441 302 A N 1.545 124.477 122.820 0.187 0.000 2.409 302 A HA 0.686 5.005 4.320 -0.002 0.000 0.267 302 A C -0.192 177.442 177.584 0.085 0.000 1.127 302 A CA -0.264 51.885 52.037 0.186 0.000 0.795 302 A CB 0.067 19.141 19.000 0.123 0.000 1.061 302 A HN 1.340 nan 8.150 nan 0.000 0.502 303 V N 2.986 122.844 119.914 -0.094 0.000 2.513 303 V HA 0.680 4.798 4.120 -0.002 0.000 0.299 303 V C 1.007 176.657 176.094 -0.740 0.000 1.035 303 V CA 0.112 62.074 62.300 -0.563 0.000 0.889 303 V CB 1.432 33.025 31.823 -0.383 0.000 0.988 303 V HN 1.139 nan 8.190 nan 0.000 0.440 304 G N 3.164 111.131 108.800 -1.388 0.000 2.736 304 G HA2 0.428 4.386 3.960 -0.002 0.000 0.229 304 G HA3 0.428 4.386 3.960 -0.002 0.000 0.229 304 G C 0.498 174.932 174.900 -0.778 0.000 1.380 304 G CA -0.521 44.104 45.100 -0.793 0.000 1.040 304 G HN 0.594 nan 8.290 nan 0.000 0.568 305 R N -1.241 118.852 120.500 -0.679 0.000 2.055 305 R HA 0.174 4.513 4.340 -0.002 0.000 0.221 305 R C -0.083 176.286 176.300 0.115 0.000 1.154 305 R CA 1.015 56.736 56.100 -0.633 0.000 0.975 305 R CB -0.187 29.194 30.300 -1.532 0.000 0.869 305 R HN 0.610 nan 8.270 nan 0.000 0.437 306 Y N -3.080 117.281 120.300 0.103 0.000 2.571 306 Y HA 0.405 4.954 4.550 -0.002 0.000 0.341 306 Y C -2.549 173.340 175.900 -0.018 0.000 1.076 306 Y CA -3.049 55.100 58.100 0.081 0.000 1.029 306 Y CB 0.974 39.440 38.460 0.010 0.000 1.308 306 Y HN -0.181 nan 8.280 nan 0.000 0.461 307 P HA -0.107 nan 4.420 nan 0.000 0.220 307 P C 0.141 177.362 177.300 -0.133 0.000 1.148 307 P CA 1.622 64.496 63.100 -0.377 0.000 0.803 307 P CB 0.401 31.782 31.700 -0.531 0.000 0.782 308 E N -0.435 119.802 120.200 0.061 0.000 2.481 308 E HA -0.005 4.344 4.350 -0.002 0.000 0.195 308 E C 0.612 177.271 176.600 0.098 0.000 1.047 308 E CA 0.013 56.490 56.400 0.128 0.000 0.867 308 E CB -0.841 28.991 29.700 0.222 0.000 0.858 308 E HN 0.227 nan 8.360 nan 0.000 0.513 309 D N 0.222 120.474 120.400 -0.247 0.000 2.525 309 D HA -0.056 4.583 4.640 -0.002 0.000 0.235 309 D C 0.511 176.757 176.300 -0.089 0.000 1.137 309 D CA 0.449 54.181 54.000 -0.445 0.000 0.868 309 D CB 0.604 40.867 40.800 -0.895 0.000 1.180 309 D HN 0.080 nan 8.370 nan 0.000 0.465 310 S N 2.733 118.443 115.700 0.017 0.000 2.780 310 S HA 0.006 4.475 4.470 -0.002 0.000 0.248 310 S C 0.216 174.876 174.600 0.101 0.000 1.036 310 S CA -0.655 57.576 58.200 0.052 0.000 1.061 310 S CB -0.319 62.913 63.200 0.052 0.000 1.037 310 S HN 0.433 nan 8.310 nan 0.000 0.584 311 Y N 2.927 123.224 120.300 -0.006 0.000 2.605 311 Y HA 0.306 4.855 4.550 -0.002 0.000 0.336 311 Y C 0.128 176.099 175.900 0.119 0.000 1.111 311 Y CA -0.374 57.750 58.100 0.041 0.000 1.422 311 Y CB -0.590 37.952 38.460 0.137 0.000 1.193 311 Y HN 0.372 nan 8.280 nan 0.000 0.526 312 Y N 4.762 124.909 120.300 -0.255 0.000 4.324 312 Y HA -0.428 4.120 4.550 -0.002 0.000 0.224 312 Y C 1.141 176.935 175.900 -0.177 0.000 1.113 312 Y CA 1.157 59.072 58.100 -0.309 0.000 1.887 312 Y CB -1.699 36.464 38.460 -0.495 0.000 1.602 312 Y HN 0.920 nan 8.280 nan 0.000 0.654 313 N N -2.480 116.212 118.700 -0.014 0.000 2.949 313 N HA -0.126 4.613 4.740 -0.002 0.000 0.192 313 N C 0.464 175.976 175.510 0.003 0.000 0.979 313 N CA 1.596 54.639 53.050 -0.011 0.000 1.027 313 N CB -1.276 37.195 38.487 -0.027 0.000 0.992 313 N HN 1.442 nan 8.380 nan 0.000 0.567 314 G N 1.208 110.015 108.800 0.011 0.000 3.292 314 G HA2 -0.163 3.795 3.960 -0.002 0.000 0.636 314 G HA3 -0.163 3.795 3.960 -0.002 0.000 0.636 314 G C -0.790 174.085 174.900 -0.041 0.000 1.069 314 G CA 0.097 45.207 45.100 0.017 0.000 0.890 314 G HN 0.419 nan 8.290 nan 0.000 0.427 315 N N 2.528 121.133 118.700 -0.159 0.000 2.405 315 N HA 0.662 5.401 4.740 -0.002 0.000 0.285 315 N C -2.872 172.299 175.510 -0.565 0.000 1.262 315 N CA -1.422 51.293 53.050 -0.558 0.000 0.773 315 N CB 2.597 40.782 38.487 -0.503 0.000 1.490 315 N HN 0.262 nan 8.380 nan 0.000 0.486 316 P HA 0.142 nan 4.420 nan 0.000 0.270 316 P C -0.808 176.102 177.300 -0.651 0.000 1.223 316 P CA 0.182 62.722 63.100 -0.933 0.000 0.785 316 P CB 0.438 31.158 31.700 -1.633 0.000 0.923 317 W N 0.839 121.734 121.300 -0.675 0.000 2.702 317 W HA 0.373 5.032 4.660 -0.002 0.000 0.331 317 W C 0.925 177.371 176.519 -0.121 0.000 1.049 317 W CA -0.380 56.732 57.345 -0.389 0.000 1.230 317 W CB 0.095 29.345 29.460 -0.349 0.000 1.408 317 W HN 0.348 nan 8.180 nan 0.000 0.492 318 F N 1.866 121.986 119.950 0.283 0.000 2.065 318 F HA -0.302 4.224 4.527 -0.002 0.000 0.298 318 F C 2.335 178.199 175.800 0.106 0.000 1.112 318 F CA 2.215 60.331 58.000 0.194 0.000 1.212 318 F CB -1.128 37.882 39.000 0.017 0.000 0.975 318 F HN 0.292 nan 8.300 nan 0.000 0.476 319 L N -1.758 119.595 121.223 0.216 0.000 2.131 319 L HA -0.113 4.226 4.340 -0.002 0.000 0.210 319 L C 1.969 178.867 176.870 0.047 0.000 1.092 319 L CA 1.305 56.181 54.840 0.059 0.000 0.759 319 L CB -1.745 40.172 42.059 -0.237 0.000 0.903 319 L HN 0.140 nan 8.230 nan 0.000 0.435 320 C N 0.029 119.354 119.300 0.041 0.000 2.486 320 C HA -0.038 4.421 4.460 -0.002 0.000 0.279 320 C C 2.712 177.646 174.990 -0.093 0.000 1.302 320 C CA 1.159 60.142 59.018 -0.059 0.000 1.720 320 C CB -1.144 26.480 27.740 -0.192 0.000 2.030 320 C HN 0.668 nan 8.230 nan 0.000 0.490 321 T N 1.707 116.253 114.554 -0.013 0.000 2.788 321 T HA -0.081 4.268 4.350 -0.002 0.000 0.268 321 T C 1.674 176.374 174.700 0.000 0.000 1.044 321 T CA 1.180 63.294 62.100 0.024 0.000 1.139 321 T CB -0.266 68.731 68.868 0.213 0.000 0.867 321 T HN 0.455 nan 8.240 nan 0.000 0.454 322 L N 0.610 121.880 121.223 0.078 0.000 2.156 322 L HA 0.032 4.371 4.340 -0.002 0.000 0.208 322 L C 2.984 179.867 176.870 0.021 0.000 1.095 322 L CA 0.877 55.779 54.840 0.103 0.000 0.770 322 L CB -0.571 41.593 42.059 0.176 0.000 0.914 322 L HN 0.227 nan 8.230 nan 0.000 0.439 323 A N 0.133 122.943 122.820 -0.016 0.000 1.930 323 A HA -0.134 4.185 4.320 -0.002 0.000 0.217 323 A C 2.536 180.027 177.584 -0.155 0.000 1.175 323 A CA 1.546 53.560 52.037 -0.039 0.000 0.627 323 A CB -0.603 18.399 19.000 0.003 0.000 0.815 323 A HN 0.376 nan 8.150 nan 0.000 0.443 324 A N -0.224 122.387 122.820 -0.348 0.000 1.972 324 A HA 0.162 4.481 4.320 -0.002 0.000 0.219 324 A C 2.427 179.687 177.584 -0.540 0.000 1.169 324 A CA 2.049 53.705 52.037 -0.635 0.000 0.635 324 A CB -0.781 17.420 19.000 -1.332 0.000 0.810 324 A HN 0.960 nan 8.150 nan 0.000 0.446 325 A N -0.542 121.991 122.820 -0.480 0.000 1.874 325 A HA -0.063 4.256 4.320 -0.002 0.000 0.214 325 A C 1.992 179.359 177.584 -0.361 0.000 1.189 325 A CA 1.504 53.331 52.037 -0.351 0.000 0.615 325 A CB -0.505 18.444 19.000 -0.085 0.000 0.830 325 A HN 0.610 nan 8.150 nan 0.000 0.443 326 E N -0.374 119.781 120.200 -0.075 0.000 2.160 326 E HA -0.280 4.069 4.350 -0.002 0.000 0.195 326 E C 2.143 178.690 176.600 -0.088 0.000 0.991 326 E CA 1.381 57.815 56.400 0.057 0.000 0.810 326 E CB -0.145 29.597 29.700 0.071 0.000 0.742 326 E HN 0.737 nan 8.360 nan 0.000 0.466 327 Q N 0.147 119.871 119.800 -0.127 0.000 2.124 327 Q HA -0.177 4.162 4.340 -0.002 0.000 0.202 327 Q C 2.273 178.123 176.000 -0.251 0.000 0.977 327 Q CA 1.292 57.002 55.803 -0.155 0.000 0.850 327 Q CB 0.009 28.732 28.738 -0.026 0.000 0.901 327 Q HN 0.394 nan 8.270 nan 0.000 0.429 328 L N -0.629 120.432 121.223 -0.270 0.000 2.056 328 L HA -0.179 4.160 4.340 -0.002 0.000 0.207 328 L C 2.259 179.006 176.870 -0.206 0.000 1.078 328 L CA 0.937 55.618 54.840 -0.266 0.000 0.749 328 L CB -0.693 41.239 42.059 -0.211 0.000 0.901 328 L HN 0.247 nan 8.230 nan 0.000 0.433 329 Y N 0.580 120.832 120.300 -0.079 0.000 2.165 329 Y HA -0.265 4.284 4.550 -0.002 0.000 0.286 329 Y C 2.486 178.292 175.900 -0.156 0.000 1.155 329 Y CA 1.016 59.081 58.100 -0.058 0.000 1.164 329 Y CB -0.818 37.630 38.460 -0.020 0.000 0.978 329 Y HN 0.227 nan 8.280 nan 0.000 0.513 330 D N -0.491 119.790 120.400 -0.199 0.000 2.097 330 D HA -0.139 4.500 4.640 -0.002 0.000 0.195 330 D C 2.308 178.339 176.300 -0.448 0.000 0.989 330 D CA 1.505 55.149 54.000 -0.593 0.000 0.827 330 D CB -0.551 39.615 40.800 -1.056 0.000 0.966 330 D HN 0.303 nan 8.370 nan 0.000 0.456 331 A N 0.498 123.019 122.820 -0.499 0.000 1.930 331 A HA -0.094 4.225 4.320 -0.002 0.000 0.217 331 A C 2.387 179.432 177.584 -0.898 0.000 1.175 331 A CA 0.794 52.325 52.037 -0.843 0.000 0.627 331 A CB -0.735 17.632 19.000 -1.056 0.000 0.815 331 A HN 0.195 nan 8.150 nan 0.000 0.443 332 L N -2.075 118.920 121.223 -0.379 0.000 2.042 332 L HA -0.221 4.118 4.340 -0.002 0.000 0.210 332 L C 2.586 179.537 176.870 0.134 0.000 1.076 332 L CA 1.956 56.818 54.840 0.038 0.000 0.749 332 L CB -0.670 41.504 42.059 0.192 0.000 0.893 332 L HN 0.616 nan 8.230 nan 0.000 0.432 333 Y N 0.693 121.000 120.300 0.011 0.000 2.181 333 Y HA -0.302 4.247 4.550 -0.002 0.000 0.288 333 Y C 2.702 178.678 175.900 0.127 0.000 1.146 333 Y CA 1.710 59.873 58.100 0.104 0.000 1.164 333 Y CB -0.163 38.381 38.460 0.140 0.000 0.982 333 Y HN 0.186 nan 8.280 nan 0.000 0.515 334 Q N -0.947 118.952 119.800 0.165 0.000 2.050 334 Q HA -0.231 4.107 4.340 -0.002 0.000 0.202 334 Q C 2.079 178.158 176.000 0.133 0.000 0.980 334 Q CA 1.725 57.599 55.803 0.119 0.000 0.840 334 Q CB -0.518 28.272 28.738 0.086 0.000 0.898 334 Q HN 0.571 nan 8.270 nan 0.000 0.424 335 W N 1.202 122.590 121.300 0.146 0.000 2.355 335 W HA -0.176 4.483 4.660 -0.002 0.000 0.309 335 W C 1.839 178.471 176.519 0.188 0.000 1.206 335 W CA 1.186 58.645 57.345 0.190 0.000 1.284 335 W CB -1.161 28.432 29.460 0.221 0.000 1.145 335 W HN 0.338 nan 8.180 nan 0.000 0.502 336 D N 0.096 120.720 120.400 0.373 0.000 2.104 336 D HA -0.210 4.429 4.640 -0.002 0.000 0.194 336 D C 2.106 178.430 176.300 0.040 0.000 0.994 336 D CA 2.102 56.231 54.000 0.215 0.000 0.830 336 D CB -0.188 40.698 40.800 0.143 0.000 0.959 336 D HN -0.017 nan 8.370 nan 0.000 0.452 337 K N -0.300 120.046 120.400 -0.089 0.000 2.097 337 K HA -0.182 4.136 4.320 -0.002 0.000 0.206 337 K C 2.260 178.849 176.600 -0.019 0.000 1.049 337 K CA 1.158 57.363 56.287 -0.138 0.000 0.933 337 K CB -0.028 32.295 32.500 -0.296 0.000 0.717 337 K HN 0.246 nan 8.250 nan 0.000 0.442 338 Q N -1.073 118.758 119.800 0.053 0.000 2.123 338 Q HA -0.027 4.312 4.340 -0.002 0.000 0.199 338 Q C 0.793 176.823 176.000 0.050 0.000 0.966 338 Q CA 1.121 56.971 55.803 0.077 0.000 0.845 338 Q CB 0.281 29.113 28.738 0.157 0.000 0.907 338 Q HN 0.649 nan 8.270 nan 0.000 0.439 339 G N 0.671 109.503 108.800 0.054 0.000 2.132 339 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.234 339 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.234 339 G C -0.069 174.782 174.900 -0.082 0.000 0.989 339 G CA 0.312 45.387 45.100 -0.042 0.000 0.676 339 G HN 0.567 nan 8.290 nan 0.000 0.522 340 S N -1.544 114.189 115.700 0.056 0.000 2.611 340 S HA 0.764 5.233 4.470 -0.002 0.000 0.270 340 S C -1.053 173.674 174.600 0.212 0.000 1.131 340 S CA -0.225 58.021 58.200 0.077 0.000 0.826 340 S CB 2.388 65.600 63.200 0.020 0.000 1.095 340 S HN 1.846 nan 8.310 nan 0.000 0.461 341 L N 0.268 121.548 121.223 0.096 0.000 2.409 341 L HA 0.827 5.166 4.340 -0.002 0.000 0.262 341 L C -1.179 175.640 176.870 -0.084 0.000 0.992 341 L CA -0.393 54.312 54.840 -0.224 0.000 0.817 341 L CB 2.016 43.602 42.059 -0.788 0.000 1.350 341 L HN 1.043 nan 8.230 nan 0.000 0.411 342 E N 3.452 123.611 120.200 -0.068 0.000 2.238 342 E HA 0.550 4.899 4.350 -0.002 0.000 0.267 342 E C -1.603 174.959 176.600 -0.064 0.000 0.887 342 E CA -0.794 55.594 56.400 -0.019 0.000 0.769 342 E CB 2.306 32.031 29.700 0.042 0.000 1.187 342 E HN 0.657 nan 8.360 nan 0.000 0.416 343 I N 3.347 123.886 120.570 -0.052 0.000 2.406 343 I HA 0.285 4.454 4.170 -0.002 0.000 0.290 343 I C 0.209 176.378 176.117 0.086 0.000 0.999 343 I CA -0.532 60.734 61.300 -0.056 0.000 1.124 343 I CB 1.833 39.728 38.000 -0.173 0.000 1.289 343 I HN 0.535 nan 8.210 nan 0.000 0.441 344 T N -0.157 114.494 114.554 0.161 0.000 2.910 344 T HA 0.300 4.649 4.350 -0.002 0.000 0.287 344 T C 0.578 175.380 174.700 0.171 0.000 1.050 344 T CA -0.629 61.554 62.100 0.138 0.000 1.011 344 T CB 2.041 70.980 68.868 0.118 0.000 1.195 344 T HN 0.423 nan 8.240 nan 0.000 0.540 345 D N 0.294 120.778 120.400 0.140 0.000 2.149 345 D HA -0.082 4.557 4.640 -0.002 0.000 0.198 345 D C 2.199 178.608 176.300 0.183 0.000 0.990 345 D CA 0.868 54.956 54.000 0.146 0.000 0.839 345 D CB -0.295 40.575 40.800 0.116 0.000 0.948 345 D HN 0.371 nan 8.370 nan 0.000 0.460 346 V N 0.994 121.024 119.914 0.193 0.000 2.295 346 V HA -0.196 3.923 4.120 -0.002 0.000 0.246 346 V C 2.243 178.497 176.094 0.266 0.000 1.049 346 V CA 2.039 64.482 62.300 0.239 0.000 1.024 346 V CB -0.508 31.446 31.823 0.218 0.000 0.648 346 V HN 0.247 nan 8.190 nan 0.000 0.447 347 S N -0.709 115.161 115.700 0.284 0.000 2.575 347 S HA 0.079 4.548 4.470 -0.002 0.000 0.215 347 S C 1.620 176.511 174.600 0.485 0.000 0.966 347 S CA 0.140 58.556 58.200 0.361 0.000 0.911 347 S CB 0.004 63.458 63.200 0.423 0.000 0.780 347 S HN 0.337 nan 8.310 nan 0.000 0.514 348 L N 2.732 124.185 121.223 0.383 0.000 2.013 348 L HA -0.119 4.219 4.340 -0.002 0.000 0.212 348 L C 1.694 178.745 176.870 0.301 0.000 1.073 348 L CA 2.085 57.135 54.840 0.349 0.000 0.753 348 L CB -0.849 41.341 42.059 0.219 0.000 0.890 348 L HN 0.122 nan 8.230 nan 0.000 0.432 349 D N -1.125 119.418 120.400 0.238 0.000 2.123 349 D HA -0.266 4.373 4.640 -0.002 0.000 0.196 349 D C 2.003 178.397 176.300 0.156 0.000 0.992 349 D CA 1.650 55.753 54.000 0.170 0.000 0.833 349 D CB -0.378 40.513 40.800 0.151 0.000 0.954 349 D HN 0.431 nan 8.370 nan 0.000 0.455 350 F N 0.461 120.447 119.950 0.060 0.000 2.065 350 F HA -0.257 4.268 4.527 -0.002 0.000 0.298 350 F C 1.990 177.718 175.800 -0.121 0.000 1.112 350 F CA 1.515 59.476 58.000 -0.064 0.000 1.212 350 F CB -0.499 38.399 39.000 -0.171 0.000 0.975 350 F HN -0.119 nan 8.300 nan 0.000 0.476 351 F N 0.698 120.719 119.950 0.119 0.000 2.146 351 F HA -0.067 4.459 4.527 -0.002 0.000 0.298 351 F C 2.527 178.273 175.800 -0.090 0.000 1.096 351 F CA 1.711 59.692 58.000 -0.032 0.000 1.275 351 F CB -0.999 38.071 39.000 0.116 0.000 1.008 351 F HN -0.123 nan 8.300 nan 0.000 0.480 352 K N 0.411 120.902 120.400 0.150 0.000 2.152 352 K HA -0.166 4.153 4.320 -0.002 0.000 0.206 352 K C 2.186 178.753 176.600 -0.055 0.000 1.048 352 K CA 1.102 57.414 56.287 0.042 0.000 0.933 352 K CB -0.282 32.252 32.500 0.055 0.000 0.721 352 K HN 0.224 nan 8.250 nan 0.000 0.447 353 A N 0.516 123.266 122.820 -0.118 0.000 2.015 353 A HA -0.082 4.237 4.320 -0.002 0.000 0.219 353 A C 1.892 179.324 177.584 -0.254 0.000 1.163 353 A CA 1.134 53.061 52.037 -0.183 0.000 0.646 353 A CB -0.263 18.604 19.000 -0.220 0.000 0.806 353 A HN 0.279 nan 8.150 nan 0.000 0.448 354 L N -3.437 117.609 121.223 -0.296 0.000 2.357 354 L HA 0.174 4.512 4.340 -0.002 0.000 0.211 354 L C 0.632 177.474 176.870 -0.047 0.000 1.075 354 L CA 0.420 55.097 54.840 -0.271 0.000 0.830 354 L CB 0.164 41.975 42.059 -0.413 0.000 0.996 354 L HN 0.467 nan 8.230 nan 0.000 0.467 355 Y N 0.343 120.558 120.300 -0.142 0.000 2.488 355 Y HA 0.163 4.712 4.550 -0.002 0.000 0.330 355 Y C 1.208 177.061 175.900 -0.078 0.000 1.013 355 Y CA -1.284 56.756 58.100 -0.100 0.000 1.304 355 Y CB 0.911 39.311 38.460 -0.099 0.000 1.098 355 Y HN 0.053 nan 8.280 nan 0.000 0.498 356 S N 1.234 116.733 115.700 -0.334 0.000 2.440 356 S HA -0.127 4.342 4.470 -0.002 0.000 0.238 356 S C 1.679 176.031 174.600 -0.413 0.000 1.010 356 S CA 1.097 59.120 58.200 -0.295 0.000 0.972 356 S CB -0.228 62.849 63.200 -0.204 0.000 0.774 356 S HN 0.866 nan 8.310 nan 0.000 0.501 357 G N 0.778 109.076 108.800 -0.836 0.000 3.262 357 G HA2 0.523 4.481 3.960 -0.002 0.000 0.228 357 G HA3 0.523 4.481 3.960 -0.002 0.000 0.228 357 G C 0.280 174.989 174.900 -0.318 0.000 1.197 357 G CA -0.029 44.702 45.100 -0.617 0.000 0.819 357 G HN 0.735 nan 8.290 nan 0.000 0.531 358 A N 0.111 122.835 122.820 -0.160 0.000 2.477 358 A HA 0.711 5.030 4.320 -0.002 0.000 0.246 358 A C 0.433 178.053 177.584 0.060 0.000 1.078 358 A CA 0.577 52.670 52.037 0.094 0.000 0.770 358 A CB 0.472 19.574 19.000 0.170 0.000 1.011 358 A HN 1.228 nan 8.150 nan 0.000 0.494 359 A N 1.952 124.826 122.820 0.091 0.000 2.549 359 A HA 0.740 5.058 4.320 -0.002 0.000 0.297 359 A C 0.196 177.895 177.584 0.191 0.000 1.061 359 A CA 0.020 52.135 52.037 0.130 0.000 0.690 359 A CB 0.454 19.532 19.000 0.130 0.000 1.287 359 A HN 1.857 nan 8.150 nan 0.000 0.402 360 T N -0.282 114.352 114.554 0.134 0.000 2.906 360 T HA 0.569 4.918 4.350 -0.002 0.000 0.320 360 T C 0.677 175.419 174.700 0.071 0.000 1.088 360 T CA 0.690 62.856 62.100 0.111 0.000 1.120 360 T CB 0.853 69.767 68.868 0.077 0.000 1.000 360 T HN 2.617 nan 8.240 nan 0.000 0.550 361 G N 0.721 109.500 108.800 -0.035 0.000 2.361 361 G HA2 0.365 4.324 3.960 -0.002 0.000 0.331 361 G HA3 0.365 4.324 3.960 -0.002 0.000 0.331 361 G C -0.830 173.780 174.900 -0.483 0.000 1.324 361 G CA -0.595 44.327 45.100 -0.296 0.000 0.984 361 G HN 0.928 nan 8.290 nan 0.000 0.586 362 T N 0.814 115.006 114.554 -0.604 0.000 2.771 362 T HA 0.612 4.961 4.350 -0.002 0.000 0.281 362 T C -1.193 173.108 174.700 -0.664 0.000 0.982 362 T CA 0.020 61.849 62.100 -0.451 0.000 0.978 362 T CB 0.930 69.667 68.868 -0.218 0.000 0.930 362 T HN 0.428 nan 8.240 nan 0.000 0.447 363 Y N 1.903 122.151 120.300 -0.087 0.000 2.345 363 Y HA 0.431 4.979 4.550 -0.002 0.000 0.331 363 Y C 1.045 176.912 175.900 -0.054 0.000 0.959 363 Y CA -1.108 56.954 58.100 -0.063 0.000 1.204 363 Y CB 1.031 39.441 38.460 -0.083 0.000 1.135 363 Y HN 0.712 nan 8.280 nan 0.000 0.477 364 S N 0.415 116.112 115.700 -0.004 0.000 2.593 364 S HA 0.047 4.516 4.470 -0.002 0.000 0.269 364 S C 1.283 175.653 174.600 -0.383 0.000 1.334 364 S CA -0.100 58.014 58.200 -0.142 0.000 1.015 364 S CB 1.138 64.267 63.200 -0.118 0.000 0.912 364 S HN 0.776 nan 8.310 nan 0.000 0.541 365 S N 0.599 115.906 115.700 -0.655 0.000 2.547 365 S HA -0.083 4.386 4.470 -0.002 0.000 0.235 365 S C 1.482 175.721 174.600 -0.602 0.000 0.980 365 S CA 0.659 58.077 58.200 -1.305 0.000 0.941 365 S CB -0.944 61.691 63.200 -0.941 0.000 0.763 365 S HN 1.033 nan 8.310 nan 0.000 0.532 366 S N 1.033 116.556 115.700 -0.296 0.000 2.535 366 S HA 0.213 4.681 4.470 -0.002 0.000 0.214 366 S C 0.844 175.412 174.600 -0.054 0.000 0.980 366 S CA -0.050 58.074 58.200 -0.126 0.000 0.907 366 S CB -0.406 62.741 63.200 -0.088 0.000 0.790 366 S HN 0.656 nan 8.310 nan 0.000 0.510 367 S N 1.278 116.955 115.700 -0.039 0.000 2.593 367 S HA 0.378 4.846 4.470 -0.002 0.000 0.269 367 S C 0.994 175.630 174.600 0.059 0.000 1.334 367 S CA -0.257 57.964 58.200 0.036 0.000 1.015 367 S CB 1.117 64.372 63.200 0.092 0.000 0.912 367 S HN 0.175 nan 8.310 nan 0.000 0.541 368 S N 1.662 117.387 115.700 0.042 0.000 2.383 368 S HA -0.077 4.392 4.470 -0.002 0.000 0.227 368 S C 1.959 176.527 174.600 -0.052 0.000 1.026 368 S CA 1.501 59.710 58.200 0.016 0.000 0.981 368 S CB -0.855 62.360 63.200 0.025 0.000 0.818 368 S HN 0.876 nan 8.310 nan 0.000 0.472 369 T N 1.210 115.715 114.554 -0.082 0.000 2.652 369 T HA -0.162 4.187 4.350 -0.002 0.000 0.267 369 T C 1.512 175.960 174.700 -0.420 0.000 1.039 369 T CA 1.621 63.511 62.100 -0.350 0.000 1.153 369 T CB -0.573 67.970 68.868 -0.543 0.000 0.863 369 T HN 0.481 nan 8.240 nan 0.000 0.428 370 Y N 2.437 122.548 120.300 -0.315 0.000 2.053 370 Y HA -0.269 4.280 4.550 -0.002 0.000 0.277 370 Y C 2.716 178.493 175.900 -0.206 0.000 1.159 370 Y CA 1.925 59.874 58.100 -0.252 0.000 1.125 370 Y CB -0.683 37.709 38.460 -0.113 0.000 0.969 370 Y HN 0.163 nan 8.280 nan 0.000 0.492 371 S N -0.438 115.319 115.700 0.095 0.000 2.374 371 S HA -0.270 4.199 4.470 -0.002 0.000 0.227 371 S C 2.160 176.688 174.600 -0.121 0.000 1.037 371 S CA 1.575 59.794 58.200 0.031 0.000 1.024 371 S CB -0.740 62.492 63.200 0.053 0.000 0.861 371 S HN 0.504 nan 8.310 nan 0.000 0.456 372 S N 1.303 116.870 115.700 -0.222 0.000 2.368 372 S HA 0.042 4.511 4.470 -0.002 0.000 0.225 372 S C 1.824 176.187 174.600 -0.396 0.000 1.030 372 S CA 0.998 59.012 58.200 -0.310 0.000 0.999 372 S CB -0.374 62.522 63.200 -0.505 0.000 0.844 372 S HN 0.396 nan 8.310 nan 0.000 0.459 373 I N 1.447 121.691 120.570 -0.543 0.000 2.163 373 I HA -0.156 4.013 4.170 -0.002 0.000 0.240 373 I C 2.504 178.501 176.117 -0.200 0.000 1.081 373 I CA 1.190 62.248 61.300 -0.403 0.000 1.353 373 I CB -0.585 37.118 38.000 -0.495 0.000 1.054 373 I HN 0.257 nan 8.210 nan 0.000 0.407 374 V N -1.316 118.431 119.914 -0.278 0.000 2.332 374 V HA -0.252 3.867 4.120 -0.002 0.000 0.248 374 V C 2.366 178.466 176.094 0.010 0.000 1.055 374 V CA 2.317 64.552 62.300 -0.109 0.000 1.038 374 V CB -1.038 30.634 31.823 -0.253 0.000 0.651 374 V HN 0.370 nan 8.190 nan 0.000 0.450 375 S N 1.429 117.119 115.700 -0.018 0.000 2.368 375 S HA -0.033 4.436 4.470 -0.002 0.000 0.225 375 S C 2.307 176.940 174.600 0.054 0.000 1.030 375 S CA 1.630 59.851 58.200 0.035 0.000 0.999 375 S CB -0.807 62.407 63.200 0.022 0.000 0.844 375 S HN 1.021 nan 8.310 nan 0.000 0.459 376 A N 1.344 124.177 122.820 0.021 0.000 1.902 376 A HA -0.030 4.288 4.320 -0.002 0.000 0.217 376 A C 2.370 180.002 177.584 0.081 0.000 1.181 376 A CA 1.515 53.569 52.037 0.028 0.000 0.623 376 A CB -0.924 18.070 19.000 -0.010 0.000 0.818 376 A HN 0.343 nan 8.150 nan 0.000 0.443 377 V N 0.149 120.138 119.914 0.125 0.000 2.307 377 V HA -0.246 3.873 4.120 -0.002 0.000 0.245 377 V C 2.553 178.799 176.094 0.253 0.000 1.045 377 V CA 2.445 64.892 62.300 0.246 0.000 1.024 377 V CB -0.653 31.395 31.823 0.374 0.000 0.651 377 V HN 0.659 nan 8.190 nan 0.000 0.449 378 K N 0.398 120.925 120.400 0.213 0.000 2.063 378 K HA -0.177 4.141 4.320 -0.002 0.000 0.208 378 K C 2.072 178.800 176.600 0.213 0.000 1.048 378 K CA 2.207 58.630 56.287 0.226 0.000 0.928 378 K CB -0.644 31.984 32.500 0.213 0.000 0.713 378 K HN 0.508 nan 8.250 nan 0.000 0.442 379 T N 0.398 115.059 114.554 0.178 0.000 2.821 379 T HA -0.095 4.253 4.350 -0.002 0.000 0.267 379 T C 1.372 176.186 174.700 0.190 0.000 1.046 379 T CA 1.191 63.383 62.100 0.155 0.000 1.139 379 T CB -0.398 68.534 68.868 0.107 0.000 0.871 379 T HN 0.220 nan 8.240 nan 0.000 0.454 380 F N 2.490 122.457 119.950 0.028 0.000 2.084 380 F HA 0.095 4.621 4.527 -0.002 0.000 0.296 380 F C 2.498 178.340 175.800 0.071 0.000 1.111 380 F CA 0.717 58.717 58.000 -0.000 0.000 1.224 380 F CB -1.071 37.946 39.000 0.029 0.000 0.991 380 F HN 0.143 nan 8.300 nan 0.000 0.471 381 A N 0.198 123.102 122.820 0.141 0.000 1.873 381 A HA -0.255 4.064 4.320 -0.002 0.000 0.218 381 A C 2.011 179.635 177.584 0.067 0.000 1.193 381 A CA 2.240 54.245 52.037 -0.053 0.000 0.629 381 A CB -1.246 17.477 19.000 -0.462 0.000 0.826 381 A HN 0.445 nan 8.150 nan 0.000 0.447 382 D N -0.540 119.964 120.400 0.173 0.000 2.182 382 D HA -0.064 4.575 4.640 -0.002 0.000 0.201 382 D C 2.050 178.420 176.300 0.117 0.000 0.986 382 D CA 1.339 55.480 54.000 0.235 0.000 0.847 382 D CB -0.668 40.264 40.800 0.220 0.000 0.942 382 D HN 0.450 nan 8.370 nan 0.000 0.467 383 G N -0.305 108.505 108.800 0.016 0.000 2.442 383 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.219 383 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.219 383 G C 1.385 176.186 174.900 -0.165 0.000 1.141 383 G CA 0.285 45.319 45.100 -0.110 0.000 0.763 383 G HN 0.214 nan 8.290 nan 0.000 0.554 384 F N 0.607 120.515 119.950 -0.071 0.000 2.171 384 F HA -0.045 4.481 4.527 -0.002 0.000 0.300 384 F C 2.825 178.628 175.800 0.005 0.000 1.090 384 F CA 0.784 58.750 58.000 -0.058 0.000 1.293 384 F CB -0.515 38.421 39.000 -0.107 0.000 1.013 384 F HN -0.022 nan 8.300 nan 0.000 0.486 385 V N -1.297 118.754 119.914 0.228 0.000 2.515 385 V HA -0.238 3.881 4.120 -0.002 0.000 0.250 385 V C 2.222 178.330 176.094 0.024 0.000 1.058 385 V CA 1.918 64.332 62.300 0.190 0.000 1.064 385 V CB -0.874 31.121 31.823 0.287 0.000 0.675 385 V HN 0.271 nan 8.190 nan 0.000 0.461 386 S N 0.033 115.717 115.700 -0.027 0.000 2.383 386 S HA -0.051 4.418 4.470 -0.002 0.000 0.227 386 S C 1.894 176.376 174.600 -0.198 0.000 1.026 386 S CA 1.371 59.484 58.200 -0.145 0.000 0.981 386 S CB -0.286 62.852 63.200 -0.104 0.000 0.818 386 S HN 0.522 nan 8.310 nan 0.000 0.472 387 I N 1.075 121.585 120.570 -0.100 0.000 2.226 387 I HA -0.159 4.010 4.170 -0.002 0.000 0.245 387 I C 2.181 178.204 176.117 -0.158 0.000 1.100 387 I CA 0.854 62.112 61.300 -0.070 0.000 1.374 387 I CB -0.487 37.557 38.000 0.073 0.000 1.057 387 I HN 0.143 nan 8.210 nan 0.000 0.413 388 V N 0.829 120.677 119.914 -0.110 0.000 2.261 388 V HA -0.325 3.794 4.120 -0.002 0.000 0.246 388 V C 2.547 178.498 176.094 -0.238 0.000 1.047 388 V CA 2.323 64.596 62.300 -0.044 0.000 1.015 388 V CB -0.667 31.265 31.823 0.181 0.000 0.642 388 V HN 0.527 nan 8.190 nan 0.000 0.446 389 E N -0.119 119.703 120.200 -0.631 0.000 2.085 389 E HA -0.258 4.091 4.350 -0.002 0.000 0.194 389 E C 2.160 178.317 176.600 -0.739 0.000 0.994 389 E CA 2.004 57.616 56.400 -1.312 0.000 0.801 389 E CB -0.197 28.515 29.700 -1.648 0.000 0.743 389 E HN 0.620 nan 8.360 nan 0.000 0.453 390 T N 0.183 114.386 114.554 -0.584 0.000 2.759 390 T HA -0.149 4.200 4.350 -0.002 0.000 0.269 390 T C 1.243 175.565 174.700 -0.630 0.000 1.042 390 T CA 1.452 63.187 62.100 -0.608 0.000 1.140 390 T CB -0.243 68.177 68.868 -0.748 0.000 0.864 390 T HN 0.350 nan 8.240 nan 0.000 0.455 391 H N -0.113 118.825 119.070 -0.221 0.000 2.586 391 H HA 0.577 5.132 4.556 -0.002 0.000 0.273 391 H C 1.083 176.429 175.328 0.030 0.000 0.997 391 H CA -0.150 55.811 56.048 -0.145 0.000 1.177 391 H CB -0.136 29.369 29.762 -0.429 0.000 1.471 391 H HN 0.319 nan 8.280 nan 0.000 0.538 392 A N 1.415 124.269 122.820 0.058 0.000 2.406 392 A HA 0.516 4.835 4.320 -0.002 0.000 0.243 392 A C 0.694 178.303 177.584 0.041 0.000 1.082 392 A CA 0.137 52.181 52.037 0.012 0.000 0.786 392 A CB 0.178 19.265 19.000 0.146 0.000 1.029 392 A HN 0.361 nan 8.150 nan 0.000 0.495 393 A N 0.568 123.402 122.820 0.023 0.000 2.366 393 A HA 0.445 4.764 4.320 -0.002 0.000 0.249 393 A C 1.647 179.273 177.584 0.070 0.000 1.084 393 A CA 0.350 52.407 52.037 0.033 0.000 0.794 393 A CB -0.213 18.794 19.000 0.011 0.000 1.034 393 A HN 1.972 nan 8.150 nan 0.000 0.491 394 S N 0.942 116.675 115.700 0.055 0.000 2.402 394 S HA -0.238 4.231 4.470 -0.002 0.000 0.233 394 S C 1.163 175.810 174.600 0.079 0.000 1.030 394 S CA 1.666 59.907 58.200 0.067 0.000 1.003 394 S CB -0.621 62.603 63.200 0.039 0.000 0.813 394 S HN 0.959 nan 8.310 nan 0.000 0.477 395 N N 1.212 119.949 118.700 0.062 0.000 2.398 395 N HA 0.242 4.981 4.740 -0.002 0.000 0.188 395 N C 1.220 176.768 175.510 0.064 0.000 1.122 395 N CA 0.771 53.854 53.050 0.055 0.000 0.866 395 N CB -0.345 38.170 38.487 0.046 0.000 0.970 395 N HN 0.727 nan 8.380 nan 0.000 0.462 396 G N -1.160 107.699 108.800 0.098 0.000 2.179 396 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.220 396 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.220 396 G C -0.281 174.701 174.900 0.136 0.000 0.990 396 G CA 0.051 45.215 45.100 0.106 0.000 0.646 396 G HN 0.385 nan 8.290 nan 0.000 0.517 397 S N 0.595 116.362 115.700 0.112 0.000 2.516 397 S HA 0.524 4.993 4.470 -0.002 0.000 0.282 397 S C 0.481 175.016 174.600 -0.108 0.000 1.286 397 S CA 0.170 58.443 58.200 0.122 0.000 1.066 397 S CB 0.409 63.641 63.200 0.053 0.000 0.884 397 S HN 0.432 nan 8.310 nan 0.000 0.491 398 L N 3.010 124.082 121.223 -0.252 0.000 2.333 398 L HA 0.472 4.810 4.340 -0.002 0.000 0.280 398 L C 0.478 177.002 176.870 -0.578 0.000 1.004 398 L CA -0.474 53.907 54.840 -0.765 0.000 0.820 398 L CB 1.780 43.245 42.059 -0.990 0.000 1.247 398 L HN 0.489 nan 8.230 nan 0.000 0.416 399 S N 0.669 116.094 115.700 -0.459 0.000 2.713 399 S HA 0.157 4.626 4.470 -0.002 0.000 0.277 399 S C 0.959 175.490 174.600 -0.115 0.000 1.168 399 S CA -0.361 57.719 58.200 -0.200 0.000 0.994 399 S CB 1.631 64.828 63.200 -0.006 0.000 1.054 399 S HN 0.792 nan 8.310 nan 0.000 0.555 400 E N -0.019 120.031 120.200 -0.250 0.000 2.033 400 E HA -0.018 4.331 4.350 -0.002 0.000 0.189 400 E C 0.093 176.348 176.600 -0.574 0.000 0.979 400 E CA 0.874 56.999 56.400 -0.458 0.000 0.802 400 E CB 0.058 29.333 29.700 -0.709 0.000 0.763 400 E HN 0.581 nan 8.360 nan 0.000 0.449 401 Q N -0.841 118.617 119.800 -0.571 0.000 2.445 401 Q HA 0.433 4.772 4.340 -0.002 0.000 0.281 401 Q C -1.226 174.624 176.000 -0.250 0.000 1.101 401 Q CA -0.985 54.457 55.803 -0.600 0.000 0.833 401 Q CB 1.967 30.235 28.738 -0.782 0.000 1.416 401 Q HN 0.130 nan 8.270 nan 0.000 0.451 402 F N -1.954 117.649 119.950 -0.578 0.000 2.569 402 F HA 0.407 4.933 4.527 -0.002 0.000 0.312 402 F C -0.726 174.775 175.800 -0.498 0.000 1.109 402 F CA -1.566 56.124 58.000 -0.518 0.000 0.919 402 F CB 0.846 39.447 39.000 -0.665 0.000 1.211 402 F HN 0.406 nan 8.300 nan 0.000 0.446 403 D N 3.260 123.479 120.400 -0.302 0.000 2.531 403 D HA 0.009 4.648 4.640 -0.002 0.000 0.239 403 D C 1.343 177.381 176.300 -0.437 0.000 1.144 403 D CA 0.402 54.205 54.000 -0.329 0.000 0.869 403 D CB 1.094 41.778 40.800 -0.192 0.000 1.160 403 D HN 0.784 nan 8.370 nan 0.000 0.484 404 K N 1.235 121.341 120.400 -0.490 0.000 2.280 404 K HA -0.111 4.208 4.320 -0.002 0.000 0.202 404 K C 0.969 177.419 176.600 -0.249 0.000 1.047 404 K CA 1.024 56.978 56.287 -0.555 0.000 0.942 404 K CB 0.134 32.328 32.500 -0.509 0.000 0.739 404 K HN 0.215 nan 8.250 nan 0.000 0.457 405 S N 1.355 116.950 115.700 -0.174 0.000 2.620 405 S HA -0.045 4.424 4.470 -0.002 0.000 0.234 405 S C 1.008 175.564 174.600 -0.073 0.000 1.064 405 S CA 0.681 58.829 58.200 -0.087 0.000 0.920 405 S CB 0.195 63.359 63.200 -0.061 0.000 0.826 405 S HN 0.646 nan 8.310 nan 0.000 0.557 406 D N -0.172 120.176 120.400 -0.087 0.000 2.433 406 D HA 0.273 4.912 4.640 -0.002 0.000 0.211 406 D C 1.202 177.472 176.300 -0.049 0.000 1.114 406 D CA 0.774 54.748 54.000 -0.043 0.000 0.837 406 D CB -0.240 40.545 40.800 -0.025 0.000 0.984 406 D HN 0.414 nan 8.370 nan 0.000 0.505 407 G N 0.407 109.111 108.800 -0.161 0.000 2.184 407 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.264 407 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.264 407 G C -0.237 174.637 174.900 -0.044 0.000 0.975 407 G CA 0.231 45.161 45.100 -0.283 0.000 0.642 407 G HN 0.413 nan 8.290 nan 0.000 0.536 408 D N 1.289 121.674 120.400 -0.025 0.000 2.414 408 D HA 0.277 4.916 4.640 -0.002 0.000 0.242 408 D C 0.926 177.224 176.300 -0.003 0.000 1.129 408 D CA 0.211 54.213 54.000 0.004 0.000 0.885 408 D CB 0.566 41.350 40.800 -0.027 0.000 1.198 408 D HN 0.507 nan 8.370 nan 0.000 0.437 409 E N 0.647 120.868 120.200 0.034 0.000 2.392 409 E HA 0.318 4.667 4.350 -0.002 0.000 0.264 409 E C 0.029 176.567 176.600 -0.102 0.000 1.024 409 E CA -0.019 56.403 56.400 0.036 0.000 0.903 409 E CB 0.836 30.563 29.700 0.046 0.000 0.963 409 E HN 0.337 nan 8.360 nan 0.000 0.432 410 L N -0.671 120.435 121.223 -0.195 0.000 2.630 410 L HA 0.669 5.008 4.340 -0.002 0.000 0.258 410 L C 0.040 176.595 176.870 -0.524 0.000 1.072 410 L CA -0.838 53.795 54.840 -0.345 0.000 0.885 410 L CB 1.679 43.532 42.059 -0.344 0.000 1.502 410 L HN 0.678 nan 8.230 nan 0.000 0.406 411 S N -0.036 115.207 115.700 -0.762 0.000 3.486 411 S HA -0.156 4.313 4.470 -0.002 0.000 0.632 411 S C 0.321 174.543 174.600 -0.631 0.000 2.553 411 S CA 0.627 58.239 58.200 -0.980 0.000 2.974 411 S CB -1.644 60.857 63.200 -1.165 0.000 0.320 411 S HN 2.450 nan 8.310 nan 0.000 1.613 412 A N 2.096 124.504 122.820 -0.687 0.000 2.520 412 A HA 0.459 4.778 4.320 -0.002 0.000 0.245 412 A C 0.654 178.028 177.584 -0.349 0.000 1.072 412 A CA 0.782 52.474 52.037 -0.574 0.000 0.761 412 A CB -0.376 18.095 19.000 -0.881 0.000 1.004 412 A HN 0.911 nan 8.150 nan 0.000 0.499 413 R N 2.053 122.404 120.500 -0.249 0.000 2.543 413 R HA 0.344 4.682 4.340 -0.002 0.000 0.268 413 R C -0.944 175.287 176.300 -0.116 0.000 1.067 413 R CA -0.341 55.645 56.100 -0.190 0.000 1.142 413 R CB 0.350 30.533 30.300 -0.195 0.000 1.110 413 R HN 0.641 nan 8.270 nan 0.000 0.549 414 D N 0.509 120.864 120.400 -0.075 0.000 2.755 414 D HA -0.187 4.452 4.640 -0.002 0.000 0.227 414 D C -0.646 175.781 176.300 0.212 0.000 1.211 414 D CA 0.838 54.937 54.000 0.165 0.000 0.663 414 D CB -0.592 40.258 40.800 0.082 0.000 0.983 414 D HN 0.390 nan 8.370 nan 0.000 0.407 415 L N 0.715 121.929 121.223 -0.015 0.000 2.369 415 L HA 0.057 4.396 4.340 -0.002 0.000 0.279 415 L C 1.737 178.700 176.870 0.156 0.000 1.108 415 L CA 0.250 55.133 54.840 0.072 0.000 0.852 415 L CB 0.854 42.908 42.059 -0.009 0.000 1.169 415 L HN 0.039 nan 8.230 nan 0.000 0.452 416 T N 3.700 118.460 114.554 0.342 0.000 2.699 416 T HA -0.261 4.088 4.350 -0.002 0.000 0.268 416 T C 1.178 176.111 174.700 0.388 0.000 1.036 416 T CA 1.964 64.312 62.100 0.413 0.000 1.147 416 T CB -0.472 68.584 68.868 0.315 0.000 0.862 416 T HN 0.810 nan 8.240 nan 0.000 0.446 417 W N 2.202 123.583 121.300 0.135 0.000 2.358 417 W HA -0.069 4.589 4.660 -0.002 0.000 0.303 417 W C 2.457 179.039 176.519 0.105 0.000 1.208 417 W CA 0.634 58.054 57.345 0.125 0.000 1.274 417 W CB -1.084 28.457 29.460 0.134 0.000 1.138 417 W HN 0.202 nan 8.180 nan 0.000 0.515 418 S N -0.176 115.591 115.700 0.113 0.000 2.370 418 S HA -0.255 4.213 4.470 -0.002 0.000 0.226 418 S C 1.648 176.205 174.600 -0.071 0.000 1.033 418 S CA 1.892 60.041 58.200 -0.085 0.000 1.011 418 S CB -0.833 62.168 63.200 -0.331 0.000 0.852 418 S HN 0.282 nan 8.310 nan 0.000 0.457 419 Y N 1.502 121.883 120.300 0.134 0.000 2.200 419 Y HA -0.007 4.541 4.550 -0.002 0.000 0.290 419 Y C 2.641 178.617 175.900 0.127 0.000 1.137 419 Y CA 0.362 58.520 58.100 0.098 0.000 1.163 419 Y CB -1.071 37.436 38.460 0.079 0.000 0.988 419 Y HN 0.258 nan 8.280 nan 0.000 0.518 420 A N 0.074 123.089 122.820 0.325 0.000 1.898 420 A HA -0.088 4.231 4.320 -0.002 0.000 0.216 420 A C 2.468 180.226 177.584 0.290 0.000 1.181 420 A CA 1.725 53.926 52.037 0.273 0.000 0.620 420 A CB -1.222 17.937 19.000 0.266 0.000 0.819 420 A HN 0.385 nan 8.150 nan 0.000 0.442 421 A N -0.305 122.721 122.820 0.343 0.000 1.940 421 A HA -0.070 4.249 4.320 -0.002 0.000 0.219 421 A C 2.126 179.843 177.584 0.222 0.000 1.176 421 A CA 1.624 53.842 52.037 0.301 0.000 0.631 421 A CB -0.500 18.647 19.000 0.245 0.000 0.814 421 A HN 0.535 nan 8.150 nan 0.000 0.446 422 L N -0.117 121.223 121.223 0.195 0.000 2.005 422 L HA -0.101 4.238 4.340 -0.002 0.000 0.207 422 L C 2.320 179.276 176.870 0.142 0.000 1.072 422 L CA 1.954 56.896 54.840 0.169 0.000 0.744 422 L CB -1.184 40.962 42.059 0.146 0.000 0.895 422 L HN 0.452 nan 8.230 nan 0.000 0.433 423 L N -0.013 121.292 121.223 0.136 0.000 2.012 423 L HA -0.250 4.089 4.340 -0.002 0.000 0.210 423 L C 2.690 179.621 176.870 0.102 0.000 1.073 423 L CA 2.058 56.956 54.840 0.096 0.000 0.748 423 L CB -1.061 41.050 42.059 0.086 0.000 0.891 423 L HN 0.445 nan 8.230 nan 0.000 0.431 424 T N -2.653 111.987 114.554 0.144 0.000 2.777 424 T HA -0.109 4.240 4.350 -0.002 0.000 0.266 424 T C 1.958 176.735 174.700 0.127 0.000 1.040 424 T CA 0.911 63.098 62.100 0.145 0.000 1.141 424 T CB -0.414 68.573 68.868 0.198 0.000 0.868 424 T HN 0.301 nan 8.240 nan 0.000 0.444 425 A N 2.173 125.086 122.820 0.155 0.000 1.933 425 A HA -0.125 4.194 4.320 -0.002 0.000 0.218 425 A C 2.448 180.078 177.584 0.076 0.000 1.175 425 A CA 1.709 53.858 52.037 0.186 0.000 0.628 425 A CB -1.125 18.027 19.000 0.252 0.000 0.814 425 A HN 0.703 nan 8.150 nan 0.000 0.444 426 N N -0.174 118.559 118.700 0.055 0.000 2.084 426 N HA -0.183 4.556 4.740 -0.002 0.000 0.190 426 N C 1.690 177.163 175.510 -0.062 0.000 1.030 426 N CA 1.569 54.607 53.050 -0.019 0.000 0.849 426 N CB -0.317 38.175 38.487 0.009 0.000 1.012 426 N HN 0.682 nan 8.380 nan 0.000 0.423 427 N N 0.117 118.812 118.700 -0.009 0.000 2.036 427 N HA -0.140 4.599 4.740 -0.002 0.000 0.195 427 N C 1.734 177.228 175.510 -0.027 0.000 1.037 427 N CA 1.003 54.050 53.050 -0.004 0.000 0.855 427 N CB 0.049 38.556 38.487 0.032 0.000 1.033 427 N HN 0.225 nan 8.380 nan 0.000 0.423 428 R N 1.108 121.597 120.500 -0.018 0.000 2.096 428 R HA -0.102 4.237 4.340 -0.002 0.000 0.235 428 R C 2.095 178.323 176.300 -0.120 0.000 1.127 428 R CA 0.812 56.901 56.100 -0.018 0.000 0.968 428 R CB -0.759 29.571 30.300 0.051 0.000 0.861 428 R HN 0.386 nan 8.270 nan 0.000 0.440 429 R N 0.979 121.240 120.500 -0.398 0.000 2.120 429 R HA -0.067 4.272 4.340 -0.002 0.000 0.234 429 R C 0.720 176.864 176.300 -0.259 0.000 1.123 429 R CA 1.428 57.076 56.100 -0.753 0.000 0.975 429 R CB 0.011 29.740 30.300 -0.950 0.000 0.866 429 R HN 0.138 nan 8.270 nan 0.000 0.446 430 N N -0.095 118.525 118.700 -0.134 0.000 2.322 430 N HA 0.041 4.780 4.740 -0.002 0.000 0.194 430 N C -0.473 175.053 175.510 0.028 0.000 1.126 430 N CA 0.489 53.518 53.050 -0.035 0.000 0.845 430 N CB 0.978 39.449 38.487 -0.026 0.000 0.976 430 N HN 0.041 nan 8.380 nan 0.000 0.475 431 S N -0.878 114.852 115.700 0.050 0.000 3.593 431 S HA -0.118 4.351 4.470 -0.002 0.000 0.301 431 S C -0.104 174.535 174.600 0.066 0.000 1.209 431 S CA 0.245 58.529 58.200 0.139 0.000 0.878 431 S CB -1.541 61.803 63.200 0.238 0.000 1.000 431 S HN 0.115 nan 8.310 nan 0.000 0.578 432 V N 2.508 122.432 119.914 0.016 0.000 2.348 432 V HA 0.556 4.675 4.120 -0.002 0.000 0.270 432 V C 0.540 176.625 176.094 -0.015 0.000 1.037 432 V CA -0.171 62.134 62.300 0.008 0.000 0.872 432 V CB 1.184 33.017 31.823 0.017 0.000 1.002 432 V HN 0.429 nan 8.190 nan 0.000 0.464 433 V N 4.391 124.269 119.914 -0.059 0.000 2.881 433 V HA 0.805 4.924 4.120 -0.002 0.000 0.316 433 V C -2.242 173.843 176.094 -0.015 0.000 1.070 433 V CA -2.094 60.170 62.300 -0.060 0.000 0.976 433 V CB 1.786 33.431 31.823 -0.297 0.000 1.038 433 V HN 0.665 nan 8.190 nan 0.000 0.446 434 P HA 0.505 nan 4.420 nan 0.000 0.278 434 P C -2.880 174.419 177.300 -0.002 0.000 1.258 434 P CA -1.843 61.279 63.100 0.038 0.000 0.811 434 P CB 0.062 31.815 31.700 0.090 0.000 1.063 435 P HA 0.037 nan 4.420 nan 0.000 0.268 435 P C 0.241 177.556 177.300 0.024 0.000 1.208 435 P CA 0.146 63.268 63.100 0.036 0.000 0.777 435 P CB 0.224 31.970 31.700 0.078 0.000 0.875 436 S N 1.977 117.667 115.700 -0.016 0.000 2.585 436 S HA 0.180 4.649 4.470 -0.002 0.000 0.273 436 S C 0.485 175.106 174.600 0.035 0.000 1.339 436 S CA -0.599 57.554 58.200 -0.078 0.000 1.028 436 S CB -0.057 63.059 63.200 -0.141 0.000 0.906 436 S HN 0.668 nan 8.310 nan 0.000 0.528 437 W N 2.493 123.758 121.300 -0.059 0.000 3.008 437 W HA 0.419 5.078 4.660 -0.001 0.000 0.355 437 W C 0.538 177.032 176.519 -0.042 0.000 1.095 437 W CA -0.213 57.107 57.345 -0.041 0.000 1.738 437 W CB -0.962 28.472 29.460 -0.044 0.000 1.091 437 W HN 1.104 nan 8.180 nan 0.000 0.574 438 G N 1.885 110.513 108.800 -0.286 0.000 2.131 438 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.201 438 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.201 438 G C 0.862 175.464 174.900 -0.497 0.000 1.000 438 G CA 0.304 45.249 45.100 -0.258 0.000 0.680 438 G HN 0.286 nan 8.290 nan 0.000 0.514 439 E N 0.995 120.536 120.200 -1.098 0.000 2.160 439 E HA -0.181 4.168 4.350 -0.002 0.000 0.195 439 E C 2.548 178.910 176.600 -0.396 0.000 0.991 439 E CA 2.201 57.982 56.400 -1.031 0.000 0.810 439 E CB -0.420 28.570 29.700 -1.183 0.000 0.742 439 E HN 0.793 nan 8.360 nan 0.000 0.466 440 T N -2.084 112.280 114.554 -0.316 0.000 2.977 440 T HA -0.022 4.327 4.350 -0.002 0.000 0.271 440 T C 1.558 176.195 174.700 -0.106 0.000 1.105 440 T CA 1.287 63.286 62.100 -0.168 0.000 1.116 440 T CB -0.134 68.650 68.868 -0.140 0.000 0.878 440 T HN 0.007 nan 8.240 nan 0.000 0.509 441 S N 0.484 116.122 115.700 -0.103 0.000 2.593 441 S HA 0.688 5.157 4.470 -0.002 0.000 0.236 441 S C 0.842 175.440 174.600 -0.003 0.000 0.991 441 S CA -0.169 58.004 58.200 -0.045 0.000 0.963 441 S CB 0.735 63.911 63.200 -0.039 0.000 0.865 441 S HN 0.717 nan 8.310 nan 0.000 0.488 442 A N 1.506 124.332 122.820 0.010 0.000 3.045 442 A HA 0.544 4.863 4.320 -0.002 0.000 0.244 442 A C 0.845 178.559 177.584 0.217 0.000 0.917 442 A CA -0.101 52.021 52.037 0.141 0.000 1.075 442 A CB -0.091 19.019 19.000 0.184 0.000 1.202 442 A HN 0.317 nan 8.150 nan 0.000 0.486 443 S N -1.230 114.526 115.700 0.095 0.000 2.666 443 S HA 0.241 4.709 4.470 -0.002 0.000 0.239 443 S C 0.655 175.274 174.600 0.031 0.000 1.031 443 S CA 0.504 58.744 58.200 0.067 0.000 1.015 443 S CB -0.111 63.102 63.200 0.022 0.000 0.981 443 S HN 0.860 nan 8.310 nan 0.000 0.547 444 S N 1.966 117.689 115.700 0.038 0.000 2.499 444 S HA 0.512 4.981 4.470 -0.002 0.000 0.275 444 S C -0.164 174.452 174.600 0.028 0.000 1.257 444 S CA -0.407 57.807 58.200 0.024 0.000 1.050 444 S CB 0.564 63.778 63.200 0.023 0.000 0.937 444 S HN 0.290 nan 8.310 nan 0.000 0.490 445 V N 7.746 127.671 119.914 0.019 0.000 2.432 445 V HA 0.359 4.477 4.120 -0.002 0.000 0.275 445 V C -1.804 174.311 176.094 0.035 0.000 1.043 445 V CA -1.579 60.737 62.300 0.026 0.000 0.925 445 V CB 0.569 32.407 31.823 0.026 0.000 0.985 445 V HN 0.805 nan 8.190 nan 0.000 0.466 446 P HA 0.177 nan 4.420 nan 0.000 0.269 446 P C 1.102 178.431 177.300 0.049 0.000 1.215 446 P CA -0.077 63.050 63.100 0.046 0.000 0.780 446 P CB 0.689 32.421 31.700 0.053 0.000 0.898 447 G N 0.764 109.590 108.800 0.044 0.000 2.484 447 G HA2 -0.026 3.933 3.960 -0.002 0.000 0.218 447 G HA3 -0.026 3.933 3.960 -0.002 0.000 0.218 447 G C -0.062 174.868 174.900 0.050 0.000 1.130 447 G CA 0.534 45.660 45.100 0.043 0.000 0.784 447 G HN 0.564 nan 8.290 nan 0.000 0.543 448 T N -0.083 114.504 114.554 0.055 0.000 3.011 448 T HA 0.362 4.711 4.350 -0.002 0.000 0.303 448 T C -0.686 174.059 174.700 0.075 0.000 0.997 448 T CA -0.679 61.457 62.100 0.060 0.000 1.007 448 T CB 1.561 70.458 68.868 0.049 0.000 1.017 448 T HN 0.048 nan 8.240 nan 0.000 0.443 449 c N 3.107 121.761 118.600 0.090 0.000 2.435 449 c HA 0.855 5.424 4.570 -0.002 0.000 0.375 449 c C 1.028 175.183 174.090 0.109 0.000 1.281 449 c CA -0.638 55.763 56.329 0.121 0.000 1.963 449 c CB -0.759 41.844 42.510 0.156 0.000 2.490 449 c HN 1.026 nan 8.230 nan 0.000 0.557 450 A N 2.255 125.155 122.820 0.134 0.000 2.350 450 A HA 0.790 5.108 4.320 -0.002 0.000 0.324 450 A C -0.099 177.576 177.584 0.151 0.000 1.118 450 A CA -0.397 51.707 52.037 0.112 0.000 0.783 450 A CB 0.741 19.802 19.000 0.103 0.000 1.236 450 A HN 1.234 nan 8.150 nan 0.000 0.457 451 A N 2.015 124.863 122.820 0.048 0.000 2.415 451 A HA 0.613 4.932 4.320 -0.002 0.000 0.309 451 A C 0.298 177.839 177.584 -0.071 0.000 1.356 451 A CA 0.347 52.346 52.037 -0.064 0.000 0.998 451 A CB -0.379 18.548 19.000 -0.122 0.000 1.145 451 A HN 1.122 nan 8.150 nan 0.000 0.545 452 T N 0.539 115.058 114.554 -0.058 0.000 2.681 452 T HA 0.799 5.148 4.350 -0.002 0.000 0.296 452 T C -0.451 174.187 174.700 -0.102 0.000 1.157 452 T CA 0.300 62.388 62.100 -0.020 0.000 1.025 452 T CB 1.481 70.433 68.868 0.140 0.000 1.441 452 T HN 1.691 nan 8.240 nan 0.000 0.504 453 S N -0.209 115.490 115.700 -0.002 0.000 2.636 453 S HA 0.863 5.332 4.470 -0.002 0.000 0.268 453 S C -1.709 172.938 174.600 0.077 0.000 1.159 453 S CA -0.247 57.961 58.200 0.012 0.000 0.815 453 S CB 1.155 64.235 63.200 -0.200 0.000 1.130 453 S HN 1.549 nan 8.310 nan 0.000 0.471 454 A N 0.632 123.501 122.820 0.081 0.000 2.459 454 A HA 0.820 5.139 4.320 -0.002 0.000 0.296 454 A C -0.515 177.041 177.584 -0.047 0.000 1.039 454 A CA -0.439 51.644 52.037 0.076 0.000 0.698 454 A CB 1.679 20.798 19.000 0.197 0.000 1.261 454 A HN 1.264 nan 8.150 nan 0.000 0.405 455 S N 1.257 116.883 115.700 -0.123 0.000 2.480 455 S HA 0.624 5.093 4.470 -0.002 0.000 0.286 455 S C 0.898 175.210 174.600 -0.479 0.000 1.180 455 S CA 0.267 58.304 58.200 -0.271 0.000 1.075 455 S CB 0.804 63.887 63.200 -0.195 0.000 0.996 455 S HN 1.345 nan 8.310 nan 0.000 0.487 456 G N 2.083 110.324 108.800 -0.931 0.000 3.411 456 G HA2 0.504 4.463 3.960 -0.002 0.000 0.186 456 G HA3 0.504 4.463 3.960 -0.002 0.000 0.186 456 G C -0.217 174.013 174.900 -1.117 0.000 1.766 456 G CA -0.031 43.985 45.100 -1.806 0.000 0.971 456 G HN 0.759 nan 8.290 nan 0.000 0.590 457 T N -1.534 112.317 114.554 -1.171 0.000 2.932 457 T HA 0.583 4.931 4.350 -0.002 0.000 0.318 457 T C -2.181 172.104 174.700 -0.691 0.000 1.265 457 T CA -0.507 61.199 62.100 -0.657 0.000 1.036 457 T CB 1.194 69.848 68.868 -0.356 0.000 1.209 457 T HN 0.247 nan 8.240 nan 0.000 0.484 458 Y N 1.250 121.468 120.300 -0.136 0.000 2.446 458 Y HA 0.749 5.299 4.550 -0.001 0.000 0.345 458 Y C 0.342 176.202 175.900 -0.066 0.000 0.984 458 Y CA -0.726 57.324 58.100 -0.085 0.000 1.058 458 Y CB 2.492 40.923 38.460 -0.049 0.000 1.220 458 Y HN 0.582 nan 8.280 nan 0.000 0.455 459 S N 1.302 117.060 115.700 0.096 0.000 2.562 459 S HA 0.354 4.823 4.470 -0.002 0.000 0.274 459 S C -1.219 173.390 174.600 0.015 0.000 1.160 459 S CA -0.683 57.537 58.200 0.034 0.000 0.933 459 S CB 1.167 64.365 63.200 -0.004 0.000 1.100 459 S HN 0.633 nan 8.310 nan 0.000 0.468 460 S N 3.179 118.883 115.700 0.005 0.000 2.510 460 S HA 0.492 4.960 4.470 -0.002 0.000 0.279 460 S C -0.247 174.336 174.600 -0.028 0.000 1.284 460 S CA -0.312 57.880 58.200 -0.013 0.000 1.059 460 S CB -0.088 63.102 63.200 -0.017 0.000 0.901 460 S HN 0.593 nan 8.310 nan 0.000 0.491 461 V N 5.380 125.270 119.914 -0.040 0.000 2.472 461 V HA 0.481 4.600 4.120 -0.002 0.000 0.290 461 V C 0.289 176.349 176.094 -0.056 0.000 1.037 461 V CA -0.650 61.620 62.300 -0.051 0.000 0.908 461 V CB 1.751 33.539 31.823 -0.058 0.000 0.985 461 V HN 0.917 nan 8.190 nan 0.000 0.454 462 T N 3.590 118.109 114.554 -0.058 0.000 2.809 462 T HA 0.451 4.800 4.350 -0.002 0.000 0.284 462 T C -0.388 174.262 174.700 -0.083 0.000 0.992 462 T CA -0.365 61.699 62.100 -0.060 0.000 0.957 462 T CB 1.541 70.381 68.868 -0.046 0.000 0.942 462 T HN 0.352 nan 8.240 nan 0.000 0.439 463 V N 4.565 124.423 119.914 -0.092 0.000 2.288 463 V HA 0.167 4.286 4.120 -0.002 0.000 0.266 463 V C 1.373 177.407 176.094 -0.099 0.000 1.048 463 V CA -0.282 61.931 62.300 -0.145 0.000 0.842 463 V CB 0.187 31.907 31.823 -0.172 0.000 1.064 463 V HN 1.028 nan 8.190 nan 0.000 0.472 464 T N 1.660 116.156 114.554 -0.096 0.000 2.701 464 T HA -0.035 4.314 4.350 -0.002 0.000 0.263 464 T C 0.827 175.506 174.700 -0.035 0.000 1.040 464 T CA 1.268 63.336 62.100 -0.053 0.000 1.147 464 T CB 0.109 68.951 68.868 -0.042 0.000 0.865 464 T HN 0.561 nan 8.240 nan 0.000 0.426 465 S N -1.245 114.412 115.700 -0.071 0.000 2.537 465 S HA 0.467 4.936 4.470 -0.002 0.000 0.271 465 S C -2.295 172.270 174.600 -0.058 0.000 1.148 465 S CA -0.956 57.242 58.200 -0.004 0.000 0.868 465 S CB 0.777 63.996 63.200 0.032 0.000 1.115 465 S HN 0.388 nan 8.310 nan 0.000 0.461 466 W N 4.008 125.336 121.300 0.046 0.000 2.417 466 W HA 0.491 5.149 4.660 -0.002 0.000 0.317 466 W C -1.893 174.656 176.519 0.049 0.000 1.121 466 W CA -1.354 56.022 57.345 0.053 0.000 1.208 466 W CB 0.704 30.194 29.460 0.049 0.000 1.253 466 W HN 0.480 nan 8.180 nan 0.000 0.533 467 P HA 0.064 nan 4.420 nan 0.000 0.272 467 P C -0.424 176.995 177.300 0.199 0.000 1.223 467 P CA -0.165 63.069 63.100 0.224 0.000 0.784 467 P CB 0.879 32.721 31.700 0.236 0.000 0.923 468 S N 1.904 117.702 115.700 0.163 0.000 3.455 468 S HA 0.170 4.638 4.470 -0.002 0.000 0.288 468 S C 0.756 175.427 174.600 0.118 0.000 1.231 468 S CA -0.257 58.020 58.200 0.128 0.000 1.031 468 S CB -1.291 61.982 63.200 0.121 0.000 1.570 468 S HN 0.276 nan 8.310 nan 0.000 0.519 469 I N 2.681 123.254 120.570 0.005 0.000 2.496 469 I HA 0.188 4.357 4.170 -0.002 0.000 0.285 469 I C 0.000 176.165 176.117 0.080 0.000 1.080 469 I CA -0.286 60.924 61.300 -0.150 0.000 1.404 469 I CB 0.781 38.600 38.000 -0.302 0.000 1.403 469 I HN 0.150 nan 8.210 nan 0.000 0.539 470 V N 5.942 126.000 119.914 0.240 0.000 2.555 470 V HA 0.806 4.925 4.120 -0.002 0.000 0.302 470 V C 0.148 176.470 176.094 0.379 0.000 1.038 470 V CA -0.381 62.072 62.300 0.255 0.000 0.887 470 V CB 1.538 33.490 31.823 0.214 0.000 0.991 470 V HN 0.916 nan 8.190 nan 0.000 0.434 471 A N 0.000 122.997 122.820 0.295 0.000 2.254 471 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 471 A CA 0.000 52.220 52.037 0.305 0.000 0.836 471 A CB 0.000 19.160 19.000 0.267 0.000 0.831 471 A HN 0.000 nan 8.150 nan 0.000 0.486