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 1zu0_1_A DATA FIRST_RESID 1 DATA SEQUENCE RSELTIVPDF YPTMVRNFNP YLATNLRTTT DFIYEPLVVF NEMKGNTPVF DATA SEQUENCE RLAESYKMAD DLMSVTFDIR KGVKWSDGEA FTADDVVYSF GLLKAKPELD DATA SEQUENCE QRGINKWVTS VEKVDEYKVR FRLSEANSNV PYEISLIPIV AEHVWKDVKD DATA SEQUENCE PTTFTNENPV GTGPFTVIDT FTPQLYIQcR NPNYWDAANL EVDcLRVPQI DATA SEQUENCE ANNDQLLGKI VNSELDWTSS FVPDIDRTYA AANPNHHYWY PAAGTQAFMV DATA SEQUENCE NFKNPDPAKK EALDNVDFRR AFSMALDRQT IIDIAFYGSG TVNDFASGLG DATA SEQUENCE YAFEAWSDEA THKKYKGFNT YDVEGSKKLL AKAGFKDVNG DGFVETPSGK DATA SEQUENCE SFELLIQSPN GWTDFNNTVQ LAVEQLQEVG IKAKARTPEF AVYNQAMLEG DATA SEQUENCE TYDVAYTNYF HGADPFTYWN SGYNSALQSG DGMPRFAMHY FTDKKLDGLL DATA SEQUENCE DSFYKTADKN EQLAIAHGIQ KIIAENQVTI PVMSGAWMYQ YNTTRFTGWW DATA SEQUENCE SEENPKGRPS VWAGIPERLL HVLDLKPVK 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 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.321 176.300 0.035 0.000 0.893 1 R CA 0.000 56.116 56.100 0.026 0.000 0.921 1 R CB 0.000 30.319 30.300 0.032 0.000 0.687 2 S N 2.800 118.534 115.700 0.057 0.000 2.448 2 S HA 0.291 4.760 4.470 -0.001 0.000 0.279 2 S C -0.336 174.390 174.600 0.209 0.000 1.195 2 S CA -0.551 57.715 58.200 0.110 0.000 1.051 2 S CB 1.056 64.333 63.200 0.128 0.000 0.948 2 S HN 0.538 nan 8.310 nan 0.000 0.493 3 E N 2.017 122.362 120.200 0.241 0.000 2.145 3 E HA 0.371 4.720 4.350 -0.001 0.000 0.270 3 E C -1.239 175.501 176.600 0.233 0.000 0.906 3 E CA -0.831 55.660 56.400 0.153 0.000 0.761 3 E CB 1.640 31.379 29.700 0.064 0.000 1.116 3 E HN 0.549 nan 8.360 nan 0.000 0.408 4 L N 3.256 124.444 121.223 -0.058 0.000 2.255 4 L HA 0.248 4.587 4.340 -0.001 0.000 0.289 4 L C -0.519 176.262 176.870 -0.149 0.000 1.046 4 L CA 0.011 54.682 54.840 -0.281 0.000 0.816 4 L CB 1.101 42.798 42.059 -0.602 0.000 1.197 4 L HN 0.387 nan 8.230 nan 0.000 0.427 5 T N 7.190 121.732 114.554 -0.020 0.000 2.752 5 T HA 0.477 4.826 4.350 -0.001 0.000 0.295 5 T C 0.065 174.765 174.700 0.000 0.000 0.923 5 T CA 0.116 62.200 62.100 -0.025 0.000 1.112 5 T CB -0.228 68.654 68.868 0.024 0.000 0.884 5 T HN 0.571 nan 8.240 nan 0.000 0.525 6 I N -0.300 120.228 120.570 -0.070 0.000 2.934 6 I HA 0.816 4.986 4.170 -0.001 0.000 0.306 6 I C -0.990 175.069 176.117 -0.096 0.000 1.110 6 I CA -1.412 59.851 61.300 -0.062 0.000 1.019 6 I CB 2.365 40.282 38.000 -0.138 0.000 1.227 6 I HN 0.201 nan 8.210 nan 0.000 0.434 7 V N 4.418 124.269 119.914 -0.105 0.000 2.467 7 V HA 0.297 4.416 4.120 -0.001 0.000 0.260 7 V C -1.665 174.341 176.094 -0.147 0.000 0.963 7 V CA -0.601 61.650 62.300 -0.083 0.000 0.856 7 V CB 0.608 32.421 31.823 -0.017 0.000 1.087 7 V HN 0.746 nan 8.190 nan 0.000 0.467 8 P HA 0.087 nan 4.420 nan 0.000 0.229 8 P C 0.099 177.288 177.300 -0.185 0.000 1.160 8 P CA 1.073 64.125 63.100 -0.080 0.000 0.777 8 P CB 0.905 32.603 31.700 -0.003 0.000 0.814 9 D N -1.974 118.237 120.400 -0.316 0.000 2.683 9 D HA 0.291 4.931 4.640 -0.001 0.000 0.246 9 D C -1.347 174.557 176.300 -0.661 0.000 1.238 9 D CA -0.677 52.947 54.000 -0.626 0.000 0.759 9 D CB 0.430 40.884 40.800 -0.578 0.000 1.349 9 D HN -0.242 nan 8.370 nan 0.000 0.426 10 F N 1.051 120.686 119.950 -0.525 0.000 2.378 10 F HA 0.629 5.155 4.527 -0.002 0.000 0.325 10 F C -0.226 175.231 175.800 -0.571 0.000 1.097 10 F CA -0.389 57.387 58.000 -0.374 0.000 1.079 10 F CB 1.073 39.978 39.000 -0.158 0.000 1.240 10 F HN 0.177 nan 8.300 nan 0.000 0.519 11 Y N -0.030 120.414 120.300 0.241 0.000 2.558 11 Y HA 0.204 4.755 4.550 0.002 0.000 0.333 11 Y C -2.016 173.943 175.900 0.098 0.000 1.125 11 Y CA -1.784 56.404 58.100 0.147 0.000 1.039 11 Y CB 1.270 39.801 38.460 0.118 0.000 1.331 11 Y HN 0.193 nan 8.280 nan 0.000 0.456 12 P HA -0.007 nan 4.420 nan 0.000 0.220 12 P C 0.313 177.685 177.300 0.120 0.000 1.152 12 P CA 1.185 64.367 63.100 0.137 0.000 0.812 12 P CB 1.092 32.857 31.700 0.108 0.000 0.792 13 T N -1.317 113.318 114.554 0.134 0.000 2.821 13 T HA 0.529 4.879 4.350 -0.001 0.000 0.306 13 T C -1.413 173.298 174.700 0.017 0.000 1.313 13 T CA -0.593 61.549 62.100 0.070 0.000 1.012 13 T CB 0.765 69.663 68.868 0.050 0.000 1.298 13 T HN -0.320 nan 8.240 nan 0.000 0.502 14 M N 3.324 122.893 119.600 -0.052 0.000 2.108 14 M HA 0.480 4.960 4.480 -0.001 0.000 0.347 14 M C -1.027 175.285 176.300 0.019 0.000 1.326 14 M CA -0.382 54.823 55.300 -0.159 0.000 1.126 14 M CB 0.274 32.689 32.600 -0.309 0.000 1.606 14 M HN 0.303 nan 8.290 nan 0.000 0.462 15 V N 5.466 125.367 119.914 -0.022 0.000 2.334 15 V HA 0.402 4.522 4.120 -0.001 0.000 0.281 15 V C 0.317 176.358 176.094 -0.089 0.000 1.016 15 V CA -0.950 61.358 62.300 0.014 0.000 0.832 15 V CB 1.208 33.011 31.823 -0.033 0.000 0.999 15 V HN 0.687 nan 8.190 nan 0.000 0.439 16 R N 4.400 124.776 120.500 -0.206 0.000 2.543 16 R HA 0.034 4.374 4.340 -0.001 0.000 0.348 16 R C 0.051 176.010 176.300 -0.568 0.000 0.981 16 R CA 0.618 56.286 56.100 -0.720 0.000 1.019 16 R CB -0.278 29.369 30.300 -1.088 0.000 0.944 16 R HN 0.867 nan 8.270 nan 0.000 0.425 17 N N 4.093 122.349 118.700 -0.739 0.000 2.655 17 N HA 0.124 4.864 4.740 -0.001 0.000 0.277 17 N C -1.299 173.853 175.510 -0.596 0.000 1.177 17 N CA -0.519 52.234 53.050 -0.495 0.000 0.882 17 N CB 0.584 38.912 38.487 -0.266 0.000 1.481 17 N HN 0.321 nan 8.380 nan 0.000 0.547 18 F N 1.082 120.975 119.950 -0.096 0.000 2.772 18 F HA 0.313 4.837 4.527 -0.004 0.000 0.302 18 F C 0.814 176.694 175.800 0.133 0.000 1.136 18 F CA -0.631 57.385 58.000 0.027 0.000 1.322 18 F CB -0.059 38.959 39.000 0.030 0.000 0.967 18 F HN 0.428 nan 8.300 nan 0.000 0.513 19 N N 3.559 122.367 118.700 0.181 0.000 2.401 19 N HA 0.085 4.825 4.740 -0.001 0.000 0.255 19 N C -1.504 174.090 175.510 0.140 0.000 1.110 19 N CA -1.824 51.387 53.050 0.269 0.000 0.949 19 N CB 1.256 39.889 38.487 0.243 0.000 1.110 19 N HN 0.003 nan 8.380 nan 0.000 0.490 20 P HA -0.129 nan 4.420 nan 0.000 0.225 20 P C 0.193 177.279 177.300 -0.357 0.000 1.148 20 P CA 1.286 64.214 63.100 -0.287 0.000 0.779 20 P CB -0.013 31.300 31.700 -0.644 0.000 0.780 21 Y N -0.748 119.571 120.300 0.030 0.000 2.457 21 Y HA 0.278 4.827 4.550 -0.003 0.000 0.263 21 Y C 1.345 177.278 175.900 0.056 0.000 1.164 21 Y CA -0.463 57.645 58.100 0.012 0.000 1.274 21 Y CB 0.004 38.454 38.460 -0.017 0.000 1.097 21 Y HN -0.187 nan 8.280 nan 0.000 0.523 22 L N -0.498 120.833 121.223 0.180 0.000 2.329 22 L HA 0.513 4.852 4.340 -0.001 0.000 0.279 22 L C 1.064 178.005 176.870 0.118 0.000 1.014 22 L CA -0.753 54.174 54.840 0.145 0.000 0.814 22 L CB 1.701 43.840 42.059 0.133 0.000 1.257 22 L HN 0.013 nan 8.230 nan 0.000 0.424 23 A N 0.935 123.825 122.820 0.116 0.000 2.172 23 A HA -0.096 4.224 4.320 -0.001 0.000 0.216 23 A C 1.689 179.359 177.584 0.144 0.000 1.154 23 A CA 1.637 53.755 52.037 0.134 0.000 0.701 23 A CB -0.679 18.398 19.000 0.129 0.000 0.789 23 A HN 0.851 nan 8.150 nan 0.000 0.465 24 T N -1.175 113.446 114.554 0.113 0.000 3.144 24 T HA 0.087 4.437 4.350 -0.001 0.000 0.249 24 T C 0.571 175.314 174.700 0.073 0.000 1.089 24 T CA -0.083 62.079 62.100 0.103 0.000 0.989 24 T CB -0.978 67.931 68.868 0.068 0.000 0.992 24 T HN 0.774 nan 8.240 nan 0.000 0.540 25 N N 0.741 119.484 118.700 0.072 0.000 2.327 25 N HA 0.252 4.992 4.740 -0.001 0.000 0.257 25 N C -0.583 174.957 175.510 0.050 0.000 1.281 25 N CA -1.020 52.038 53.050 0.013 0.000 0.942 25 N CB 0.429 38.946 38.487 0.049 0.000 1.199 25 N HN -0.088 nan 8.380 nan 0.000 0.532 26 L N 0.774 121.963 121.223 -0.056 0.000 2.326 26 L HA 0.190 4.529 4.340 -0.001 0.000 0.278 26 L C 1.036 178.060 176.870 0.256 0.000 1.092 26 L CA -0.088 54.787 54.840 0.058 0.000 0.810 26 L CB 0.986 42.927 42.059 -0.197 0.000 1.153 26 L HN 0.626 nan 8.230 nan 0.000 0.439 27 R N 0.646 121.367 120.500 0.369 0.000 2.535 27 R HA 0.036 4.375 4.340 -0.001 0.000 0.233 27 R C 0.991 177.482 176.300 0.319 0.000 1.202 27 R CA 0.332 56.597 56.100 0.274 0.000 1.205 27 R CB -0.798 29.606 30.300 0.173 0.000 1.153 27 R HN 0.729 nan 8.270 nan 0.000 0.512 28 T N -6.342 108.465 114.554 0.422 0.000 3.200 28 T HA 0.169 4.519 4.350 -0.001 0.000 0.284 28 T C 1.123 176.143 174.700 0.535 0.000 1.009 28 T CA -0.306 62.118 62.100 0.541 0.000 0.907 28 T CB 0.514 69.695 68.868 0.521 0.000 1.120 28 T HN -0.077 nan 8.240 nan 0.000 0.534 29 T N 2.920 117.730 114.554 0.426 0.000 2.755 29 T HA 0.076 4.426 4.350 -0.001 0.000 0.251 29 T C 1.212 176.099 174.700 0.312 0.000 1.044 29 T CA 1.338 63.687 62.100 0.414 0.000 1.154 29 T CB -0.553 68.559 68.868 0.405 0.000 0.866 29 T HN 0.751 nan 8.240 nan 0.000 0.416 30 T N 0.728 115.401 114.554 0.197 0.000 2.900 30 T HA 0.230 4.579 4.350 -0.001 0.000 0.307 30 T C 0.224 174.902 174.700 -0.036 0.000 1.065 30 T CA -0.081 62.077 62.100 0.096 0.000 1.105 30 T CB 0.474 69.349 68.868 0.010 0.000 0.979 30 T HN 0.378 nan 8.240 nan 0.000 0.544 31 D N 0.565 120.923 120.400 -0.071 0.000 3.884 31 D HA -0.206 4.434 4.640 -0.001 0.000 0.205 31 D C 0.925 177.113 176.300 -0.186 0.000 1.191 31 D CA 2.013 55.870 54.000 -0.237 0.000 2.350 31 D CB -1.474 38.982 40.800 -0.573 0.000 1.204 31 D HN 0.579 nan 8.370 nan 0.000 0.432 32 F N 0.741 120.760 119.950 0.114 0.000 2.234 32 F HA 0.253 4.779 4.527 -0.002 0.000 0.296 32 F C 2.628 178.436 175.800 0.014 0.000 1.089 32 F CA 0.735 58.804 58.000 0.116 0.000 1.343 32 F CB -0.297 38.857 39.000 0.256 0.000 1.040 32 F HN 0.170 nan 8.300 nan 0.000 0.498 33 I N -2.438 118.219 120.570 0.145 0.000 2.685 33 I HA -0.091 4.079 4.170 -0.001 0.000 0.251 33 I C -0.173 175.758 176.117 -0.310 0.000 1.102 33 I CA 0.437 61.662 61.300 -0.124 0.000 1.442 33 I CB -0.047 37.826 38.000 -0.211 0.000 1.194 33 I HN -0.150 nan 8.210 nan 0.000 0.448 34 Y N 1.957 122.327 120.300 0.116 0.000 2.491 34 Y HA 0.323 4.872 4.550 -0.003 0.000 0.334 34 Y C 0.189 176.091 175.900 0.004 0.000 0.969 34 Y CA -0.627 57.524 58.100 0.085 0.000 1.241 34 Y CB 0.586 39.095 38.460 0.082 0.000 1.105 34 Y HN 0.047 nan 8.280 nan 0.000 0.503 35 E N 6.105 126.337 120.200 0.053 0.000 2.354 35 E HA 0.216 4.565 4.350 -0.001 0.000 0.269 35 E C -2.276 174.320 176.600 -0.007 0.000 1.036 35 E CA -2.033 54.383 56.400 0.026 0.000 0.876 35 E CB 0.845 30.591 29.700 0.076 0.000 1.009 35 E HN 0.266 nan 8.360 nan 0.000 0.416 36 P HA 0.018 nan 4.420 nan 0.000 0.276 36 P C 0.489 177.795 177.300 0.010 0.000 1.261 36 P CA -0.089 63.019 63.100 0.014 0.000 0.800 36 P CB 0.882 32.585 31.700 0.005 0.000 1.066 37 L N -0.546 120.709 121.223 0.054 0.000 2.109 37 L HA 0.019 4.359 4.340 -0.001 0.000 0.207 37 L C 0.791 177.717 176.870 0.094 0.000 1.086 37 L CA 1.268 56.176 54.840 0.112 0.000 0.760 37 L CB -0.235 41.924 42.059 0.167 0.000 0.910 37 L HN 0.135 nan 8.230 nan 0.000 0.437 38 V N -1.056 118.882 119.914 0.039 0.000 3.012 38 V HA 0.329 4.449 4.120 -0.001 0.000 0.307 38 V C -0.769 175.297 176.094 -0.048 0.000 1.166 38 V CA -0.747 61.488 62.300 -0.108 0.000 0.974 38 V CB 2.645 34.301 31.823 -0.280 0.000 1.040 38 V HN -0.332 nan 8.190 nan 0.000 0.428 39 V N 3.650 123.503 119.914 -0.101 0.000 2.350 39 V HA 0.478 4.598 4.120 -0.001 0.000 0.285 39 V C -0.738 175.340 176.094 -0.027 0.000 1.014 39 V CA -0.374 61.931 62.300 0.009 0.000 0.831 39 V CB 1.202 33.052 31.823 0.044 0.000 1.000 39 V HN 0.654 nan 8.190 nan 0.000 0.433 40 F N 3.007 122.967 119.950 0.016 0.000 2.438 40 F HA 0.256 4.782 4.527 -0.001 0.000 0.356 40 F C 1.050 176.908 175.800 0.097 0.000 1.099 40 F CA -0.157 57.894 58.000 0.085 0.000 1.185 40 F CB 0.507 39.643 39.000 0.225 0.000 1.115 40 F HN 0.494 nan 8.300 nan 0.000 0.526 41 N N 3.524 122.329 118.700 0.174 0.000 2.605 41 N HA 0.002 4.742 4.740 -0.001 0.000 0.258 41 N C 1.037 176.639 175.510 0.153 0.000 1.156 41 N CA -0.087 53.039 53.050 0.125 0.000 1.008 41 N CB 0.249 38.761 38.487 0.041 0.000 1.354 41 N HN 0.579 nan 8.380 nan 0.000 0.509 42 E N 2.243 122.550 120.200 0.177 0.000 2.160 42 E HA -0.273 4.077 4.350 -0.001 0.000 0.195 42 E C 1.529 178.203 176.600 0.122 0.000 0.991 42 E CA 0.984 57.474 56.400 0.151 0.000 0.810 42 E CB 0.019 29.816 29.700 0.162 0.000 0.742 42 E HN 0.772 nan 8.360 nan 0.000 0.466 43 M N 0.904 120.566 119.600 0.104 0.000 2.077 43 M HA -0.123 4.357 4.480 -0.001 0.000 0.261 43 M C 1.234 177.593 176.300 0.099 0.000 1.070 43 M CA 1.430 56.799 55.300 0.115 0.000 1.125 43 M CB 0.156 32.804 32.600 0.080 0.000 1.339 43 M HN -0.249 nan 8.290 nan 0.000 0.409 44 K N 1.189 121.627 120.400 0.063 0.000 2.743 44 K HA 0.086 4.405 4.320 -0.001 0.000 0.219 44 K C 0.652 177.298 176.600 0.077 0.000 1.003 44 K CA 0.844 57.161 56.287 0.051 0.000 1.156 44 K CB -1.154 31.350 32.500 0.007 0.000 0.932 44 K HN 0.746 nan 8.250 nan 0.000 0.490 45 G N 2.016 110.877 108.800 0.103 0.000 2.171 45 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.238 45 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.238 45 G C 0.014 174.991 174.900 0.130 0.000 1.039 45 G CA 0.084 45.253 45.100 0.115 0.000 0.759 45 G HN 0.609 nan 8.290 nan 0.000 0.501 46 N N -0.309 118.480 118.700 0.149 0.000 2.696 46 N HA -0.199 4.541 4.740 -0.001 0.000 0.256 46 N C 0.491 176.190 175.510 0.314 0.000 1.031 46 N CA 1.192 54.395 53.050 0.255 0.000 0.730 46 N CB -0.703 37.881 38.487 0.162 0.000 0.894 46 N HN 1.290 nan 8.380 nan 0.000 0.544 47 T N -0.529 114.124 114.554 0.165 0.000 2.771 47 T HA 0.479 4.828 4.350 -0.001 0.000 0.291 47 T C -2.384 172.228 174.700 -0.147 0.000 0.954 47 T CA -1.528 60.604 62.100 0.054 0.000 1.045 47 T CB 2.046 70.933 68.868 0.031 0.000 0.917 47 T HN 0.051 nan 8.240 nan 0.000 0.484 48 P HA 0.289 nan 4.420 nan 0.000 0.281 48 P C -0.806 176.233 177.300 -0.434 0.000 1.252 48 P CA -0.471 62.092 63.100 -0.896 0.000 0.778 48 P CB 1.032 32.103 31.700 -1.048 0.000 0.895 49 V N 5.269 124.947 119.914 -0.393 0.000 2.357 49 V HA 0.263 4.382 4.120 -0.001 0.000 0.284 49 V C 0.148 176.157 176.094 -0.140 0.000 1.018 49 V CA -0.499 61.748 62.300 -0.089 0.000 0.841 49 V CB 0.217 32.041 31.823 0.001 0.000 0.991 49 V HN 0.326 nan 8.190 nan 0.000 0.437 50 F N 5.495 125.446 119.950 0.000 0.000 2.438 50 F HA 0.543 5.069 4.527 -0.001 0.000 0.356 50 F C 1.164 177.010 175.800 0.077 0.000 1.099 50 F CA -0.166 57.855 58.000 0.036 0.000 1.185 50 F CB 0.690 39.698 39.000 0.013 0.000 1.115 50 F HN 0.432 nan 8.300 nan 0.000 0.526 51 R N 2.151 122.754 120.500 0.171 0.000 1.895 51 R HA 0.344 4.684 4.340 -0.001 0.000 0.129 51 R C 1.913 178.090 176.300 -0.206 0.000 2.021 51 R CA -0.124 56.063 56.100 0.146 0.000 1.709 51 R CB -0.747 29.669 30.300 0.193 0.000 1.397 51 R HN 0.562 nan 8.270 nan 0.000 0.484 52 L N 1.541 122.626 121.223 -0.229 0.000 2.275 52 L HA 0.086 4.425 4.340 -0.001 0.000 0.215 52 L C 0.998 177.825 176.870 -0.072 0.000 1.119 52 L CA 0.618 55.224 54.840 -0.390 0.000 0.790 52 L CB -0.425 41.343 42.059 -0.485 0.000 0.919 52 L HN 0.187 nan 8.230 nan 0.000 0.443 53 A N -0.325 122.565 122.820 0.118 0.000 2.312 53 A HA 0.321 4.640 4.320 -0.001 0.000 0.326 53 A C 0.799 178.568 177.584 0.308 0.000 1.172 53 A CA -0.526 51.692 52.037 0.302 0.000 0.821 53 A CB 1.054 20.381 19.000 0.544 0.000 1.166 53 A HN 0.167 nan 8.150 nan 0.000 0.493 54 E N 0.425 120.740 120.200 0.191 0.000 2.122 54 E HA 0.057 4.407 4.350 -0.001 0.000 0.190 54 E C 0.329 176.826 176.600 -0.171 0.000 0.977 54 E CA 1.172 57.586 56.400 0.023 0.000 0.820 54 E CB 0.151 29.818 29.700 -0.055 0.000 0.770 54 E HN 0.816 nan 8.360 nan 0.000 0.462 55 S N -1.144 114.564 115.700 0.014 0.000 2.615 55 S HA 0.469 4.939 4.470 -0.001 0.000 0.268 55 S C -1.402 173.282 174.600 0.140 0.000 1.146 55 S CA -1.158 56.926 58.200 -0.192 0.000 0.818 55 S CB 0.919 63.913 63.200 -0.344 0.000 1.111 55 S HN 0.262 nan 8.310 nan 0.000 0.465 56 Y N -1.033 119.249 120.300 -0.029 0.000 2.609 56 Y HA 0.883 5.432 4.550 -0.001 0.000 0.336 56 Y C -1.287 174.506 175.900 -0.179 0.000 1.129 56 Y CA -1.054 56.866 58.100 -0.300 0.000 1.040 56 Y CB 1.414 39.282 38.460 -0.987 0.000 1.310 56 Y HN 0.877 nan 8.280 nan 0.000 0.460 57 K N 2.868 123.314 120.400 0.077 0.000 2.578 57 K HA 0.494 4.813 4.320 -0.001 0.000 0.250 57 K C -1.799 174.881 176.600 0.132 0.000 0.955 57 K CA -0.793 55.531 56.287 0.062 0.000 0.825 57 K CB 1.726 34.232 32.500 0.010 0.000 1.151 57 K HN 0.891 nan 8.250 nan 0.000 0.432 58 M N 4.062 123.758 119.600 0.160 0.000 2.185 58 M HA 0.539 5.019 4.480 -0.001 0.000 0.357 58 M C -0.396 175.956 176.300 0.086 0.000 1.260 58 M CA 0.051 55.428 55.300 0.128 0.000 1.124 58 M CB 1.119 33.798 32.600 0.132 0.000 1.600 58 M HN 0.747 nan 8.290 nan 0.000 0.467 59 A N 3.707 126.575 122.820 0.081 0.000 2.445 59 A HA 0.139 4.458 4.320 -0.001 0.000 0.242 59 A C 0.720 178.336 177.584 0.053 0.000 1.075 59 A CA -0.322 51.753 52.037 0.063 0.000 0.777 59 A CB 0.034 19.073 19.000 0.065 0.000 1.013 59 A HN 0.946 nan 8.150 nan 0.000 0.493 60 D N 0.788 121.213 120.400 0.041 0.000 2.149 60 D HA -0.164 4.475 4.640 -0.001 0.000 0.198 60 D C 1.098 177.420 176.300 0.036 0.000 0.990 60 D CA 1.898 55.918 54.000 0.034 0.000 0.839 60 D CB -0.132 40.683 40.800 0.025 0.000 0.948 60 D HN 0.791 nan 8.370 nan 0.000 0.460 61 D N 0.338 120.762 120.400 0.041 0.000 2.349 61 D HA -0.101 4.538 4.640 -0.001 0.000 0.224 61 D C 1.321 177.653 176.300 0.054 0.000 1.029 61 D CA -0.011 54.015 54.000 0.043 0.000 0.879 61 D CB -0.427 40.398 40.800 0.042 0.000 0.906 61 D HN 0.242 nan 8.370 nan 0.000 0.528 62 L N -1.421 119.837 121.223 0.058 0.000 4.429 62 L HA -0.231 4.109 4.340 -0.001 0.000 0.422 62 L C 1.005 177.925 176.870 0.084 0.000 1.149 62 L CA 0.427 55.306 54.840 0.065 0.000 0.972 62 L CB -1.427 40.669 42.059 0.062 0.000 2.059 62 L HN 0.194 nan 8.230 nan 0.000 0.870 63 M N -0.804 118.847 119.600 0.084 0.000 2.495 63 M HA 0.209 4.688 4.480 -0.001 0.000 0.237 63 M C 0.942 177.304 176.300 0.104 0.000 1.131 63 M CA 1.080 56.437 55.300 0.096 0.000 1.032 63 M CB 0.033 32.680 32.600 0.078 0.000 1.513 63 M HN 0.577 nan 8.290 nan 0.000 0.488 64 S N -1.117 114.646 115.700 0.104 0.000 2.588 64 S HA 0.707 5.176 4.470 -0.001 0.000 0.269 64 S C -1.041 173.646 174.600 0.146 0.000 1.157 64 S CA -0.864 57.414 58.200 0.130 0.000 0.824 64 S CB 2.712 65.978 63.200 0.110 0.000 1.126 64 S HN -0.019 nan 8.310 nan 0.000 0.464 65 V N 1.610 121.655 119.914 0.218 0.000 2.891 65 V HA 0.811 4.931 4.120 -0.001 0.000 0.304 65 V C -0.762 175.569 176.094 0.395 0.000 1.171 65 V CA 0.370 62.819 62.300 0.248 0.000 0.943 65 V CB 1.995 33.945 31.823 0.211 0.000 1.037 65 V HN 1.581 nan 8.190 nan 0.000 0.427 66 T N 3.065 117.794 114.554 0.292 0.000 2.918 66 T HA 0.822 5.172 4.350 -0.001 0.000 0.286 66 T C -1.032 173.877 174.700 0.349 0.000 1.026 66 T CA -0.456 61.845 62.100 0.336 0.000 1.031 66 T CB 1.597 70.572 68.868 0.178 0.000 1.046 66 T HN 0.437 nan 8.240 nan 0.000 0.479 67 F N 0.607 120.718 119.950 0.268 0.000 2.547 67 F HA 0.437 4.964 4.527 0.000 0.000 0.316 67 F C -0.505 175.423 175.800 0.214 0.000 1.121 67 F CA -1.076 57.104 58.000 0.300 0.000 0.911 67 F CB 2.063 41.275 39.000 0.353 0.000 1.179 67 F HN 0.530 nan 8.300 nan 0.000 0.443 68 D N 4.004 124.600 120.400 0.326 0.000 2.317 68 D HA 0.317 4.956 4.640 -0.001 0.000 0.234 68 D C 0.005 176.458 176.300 0.254 0.000 1.112 68 D CA -0.176 53.960 54.000 0.227 0.000 0.840 68 D CB 0.991 41.862 40.800 0.118 0.000 1.078 68 D HN 0.101 nan 8.370 nan 0.000 0.486 69 I N 1.743 122.475 120.570 0.269 0.000 2.588 69 I HA 0.085 4.254 4.170 -0.001 0.000 0.283 69 I C 1.218 177.423 176.117 0.146 0.000 1.119 69 I CA -0.224 61.246 61.300 0.283 0.000 1.419 69 I CB 0.190 38.401 38.000 0.352 0.000 1.394 69 I HN 0.219 nan 8.210 nan 0.000 0.562 70 R N 5.839 126.366 120.500 0.046 0.000 2.489 70 R HA 0.100 4.440 4.340 -0.001 0.000 0.287 70 R C -0.134 176.045 176.300 -0.202 0.000 1.053 70 R CA -0.291 55.728 56.100 -0.134 0.000 1.036 70 R CB 0.571 30.686 30.300 -0.309 0.000 0.966 70 R HN 0.545 nan 8.270 nan 0.000 0.432 71 K N 1.931 122.120 120.400 -0.350 0.000 2.168 71 K HA 0.211 4.530 4.320 -0.001 0.000 0.258 71 K C 0.807 177.264 176.600 -0.238 0.000 1.010 71 K CA 0.369 56.337 56.287 -0.532 0.000 0.929 71 K CB 0.901 33.022 32.500 -0.630 0.000 0.998 71 K HN 0.885 nan 8.250 nan 0.000 0.479 72 G N -0.137 108.579 108.800 -0.141 0.000 2.179 72 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.260 72 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.260 72 G C 0.056 174.969 174.900 0.020 0.000 0.977 72 G CA 0.010 45.093 45.100 -0.028 0.000 0.641 72 G HN 0.360 nan 8.290 nan 0.000 0.533 73 V N 1.008 120.919 119.914 -0.006 0.000 2.583 73 V HA 0.532 4.651 4.120 -0.001 0.000 0.287 73 V C 0.590 176.723 176.094 0.064 0.000 1.051 73 V CA 0.125 62.408 62.300 -0.029 0.000 1.010 73 V CB 1.492 33.163 31.823 -0.254 0.000 0.988 73 V HN 0.355 nan 8.190 nan 0.000 0.478 74 K N 2.863 123.298 120.400 0.058 0.000 2.340 74 K HA 0.472 4.791 4.320 -0.001 0.000 0.244 74 K C -1.154 175.470 176.600 0.040 0.000 0.973 74 K CA -0.612 55.739 56.287 0.106 0.000 0.828 74 K CB 2.059 34.651 32.500 0.154 0.000 1.226 74 K HN 0.531 nan 8.250 nan 0.000 0.437 75 W N 0.489 121.940 121.300 0.252 0.000 2.183 75 W HA 0.013 4.675 4.660 0.002 0.000 0.348 75 W C 1.653 178.287 176.519 0.192 0.000 1.257 75 W CA -0.027 57.475 57.345 0.262 0.000 1.324 75 W CB 0.768 30.453 29.460 0.375 0.000 1.144 75 W HN 0.728 nan 8.180 nan 0.000 0.622 76 S N -0.409 115.544 115.700 0.422 0.000 2.469 76 S HA -0.233 4.237 4.470 -0.001 0.000 0.238 76 S C 0.888 175.628 174.600 0.233 0.000 0.998 76 S CA 1.476 59.829 58.200 0.255 0.000 0.957 76 S CB -0.420 62.890 63.200 0.183 0.000 0.764 76 S HN 0.616 nan 8.310 nan 0.000 0.514 77 D N 0.053 120.632 120.400 0.300 0.000 2.358 77 D HA 0.287 4.927 4.640 -0.001 0.000 0.224 77 D C 1.323 177.732 176.300 0.182 0.000 1.123 77 D CA 0.363 54.494 54.000 0.218 0.000 0.833 77 D CB -0.416 40.521 40.800 0.228 0.000 0.946 77 D HN 0.480 nan 8.370 nan 0.000 0.505 78 G N 0.017 108.941 108.800 0.207 0.000 2.225 78 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.254 78 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.254 78 G C 0.181 175.177 174.900 0.160 0.000 0.988 78 G CA 0.058 45.253 45.100 0.158 0.000 0.625 78 G HN 0.387 nan 8.290 nan 0.000 0.527 79 E N 0.865 121.172 120.200 0.178 0.000 2.390 79 E HA 0.567 4.916 4.350 -0.001 0.000 0.261 79 E C 0.820 177.634 176.600 0.356 0.000 1.076 79 E CA 0.387 56.859 56.400 0.121 0.000 0.905 79 E CB 0.940 30.466 29.700 -0.289 0.000 0.984 79 E HN 0.845 nan 8.360 nan 0.000 0.427 80 A N 2.243 125.233 122.820 0.284 0.000 2.388 80 A HA 0.229 4.549 4.320 -0.001 0.000 0.257 80 A C -0.483 177.390 177.584 0.481 0.000 1.095 80 A CA -0.311 51.921 52.037 0.325 0.000 0.791 80 A CB -0.039 19.106 19.000 0.242 0.000 1.029 80 A HN 0.497 nan 8.150 nan 0.000 0.489 81 F N 3.236 123.309 119.950 0.205 0.000 2.404 81 F HA 0.520 5.046 4.527 -0.002 0.000 0.358 81 F C 0.746 176.694 175.800 0.246 0.000 1.120 81 F CA 0.513 58.612 58.000 0.165 0.000 1.144 81 F CB 0.897 39.748 39.000 -0.249 0.000 1.133 81 F HN 0.782 nan 8.300 nan 0.000 0.495 82 T N 2.059 116.403 114.554 -0.349 0.000 2.693 82 T HA 0.647 4.996 4.350 -0.001 0.000 0.278 82 T C 0.882 175.320 174.700 -0.437 0.000 0.994 82 T CA -0.233 61.665 62.100 -0.336 0.000 1.033 82 T CB 0.981 69.665 68.868 -0.307 0.000 1.342 82 T HN 0.556 nan 8.240 nan 0.000 0.538 83 A N 0.317 122.962 122.820 -0.292 0.000 2.015 83 A HA 0.000 4.320 4.320 -0.001 0.000 0.219 83 A C 1.853 179.353 177.584 -0.140 0.000 1.163 83 A CA 1.731 53.654 52.037 -0.189 0.000 0.646 83 A CB -1.243 17.667 19.000 -0.150 0.000 0.806 83 A HN 0.849 nan 8.150 nan 0.000 0.448 84 D N 0.619 120.943 120.400 -0.126 0.000 2.149 84 D HA -0.145 4.494 4.640 -0.001 0.000 0.198 84 D C 1.201 177.523 176.300 0.036 0.000 0.990 84 D CA 1.374 55.350 54.000 -0.039 0.000 0.839 84 D CB -0.334 40.448 40.800 -0.030 0.000 0.948 84 D HN 0.475 nan 8.370 nan 0.000 0.460 85 D N 0.263 120.669 120.400 0.010 0.000 2.117 85 D HA -0.088 4.552 4.640 -0.001 0.000 0.198 85 D C 2.332 178.757 176.300 0.208 0.000 0.982 85 D CA 0.490 54.580 54.000 0.150 0.000 0.828 85 D CB 0.050 41.001 40.800 0.251 0.000 0.967 85 D HN 0.111 nan 8.370 nan 0.000 0.464 86 V N 1.219 121.198 119.914 0.109 0.000 2.270 86 V HA -0.199 3.921 4.120 -0.001 0.000 0.245 86 V C 2.780 179.000 176.094 0.210 0.000 1.043 86 V CA 0.993 63.419 62.300 0.210 0.000 1.014 86 V CB -0.579 31.310 31.823 0.109 0.000 0.645 86 V HN 0.020 nan 8.190 nan 0.000 0.447 87 V N -0.502 119.448 119.914 0.060 0.000 2.252 87 V HA -0.356 3.763 4.120 -0.001 0.000 0.249 87 V C 2.264 178.414 176.094 0.093 0.000 1.056 87 V CA 2.809 65.123 62.300 0.023 0.000 1.022 87 V CB -0.854 30.955 31.823 -0.024 0.000 0.641 87 V HN 0.691 nan 8.190 nan 0.000 0.445 88 Y N 1.180 121.497 120.300 0.027 0.000 2.165 88 Y HA -0.268 4.281 4.550 -0.002 0.000 0.286 88 Y C 2.737 178.637 175.900 0.000 0.000 1.155 88 Y CA 2.033 60.140 58.100 0.011 0.000 1.164 88 Y CB -0.334 38.124 38.460 -0.003 0.000 0.978 88 Y HN 0.213 nan 8.280 nan 0.000 0.513 89 S N 0.184 115.858 115.700 -0.043 0.000 2.370 89 S HA -0.189 4.281 4.470 -0.001 0.000 0.226 89 S C 1.635 176.026 174.600 -0.348 0.000 1.033 89 S CA 1.729 59.802 58.200 -0.211 0.000 1.011 89 S CB -0.667 62.536 63.200 0.005 0.000 0.852 89 S HN 0.491 nan 8.310 nan 0.000 0.457 90 F N 1.469 121.323 119.950 -0.159 0.000 2.367 90 F HA 0.157 4.684 4.527 0.000 0.000 0.298 90 F C 2.481 178.170 175.800 -0.185 0.000 1.094 90 F CA 0.513 58.440 58.000 -0.122 0.000 1.409 90 F CB -0.892 38.105 39.000 -0.006 0.000 1.064 90 F HN 0.270 nan 8.300 nan 0.000 0.528 91 G N -0.157 108.592 108.800 -0.086 0.000 2.422 91 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.218 91 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.218 91 G C 1.656 176.391 174.900 -0.273 0.000 1.140 91 G CA 0.609 45.618 45.100 -0.151 0.000 0.775 91 G HN 0.291 nan 8.290 nan 0.000 0.545 92 L N 0.058 120.983 121.223 -0.497 0.000 2.046 92 L HA 0.107 4.447 4.340 -0.001 0.000 0.208 92 L C 2.489 179.138 176.870 -0.368 0.000 1.077 92 L CA 1.304 55.838 54.840 -0.509 0.000 0.747 92 L CB -0.467 41.153 42.059 -0.732 0.000 0.896 92 L HN 0.108 nan 8.230 nan 0.000 0.432 93 L N -0.664 120.329 121.223 -0.384 0.000 2.191 93 L HA -0.166 4.174 4.340 -0.001 0.000 0.212 93 L C 2.420 179.199 176.870 -0.153 0.000 1.103 93 L CA 1.444 56.108 54.840 -0.292 0.000 0.769 93 L CB -0.786 41.099 42.059 -0.292 0.000 0.908 93 L HN 0.196 nan 8.230 nan 0.000 0.438 94 K N -0.821 119.509 120.400 -0.117 0.000 2.116 94 K HA 0.092 4.412 4.320 -0.001 0.000 0.203 94 K C 2.131 178.689 176.600 -0.069 0.000 1.052 94 K CA 1.101 57.352 56.287 -0.061 0.000 0.952 94 K CB -0.376 32.104 32.500 -0.034 0.000 0.729 94 K HN 0.224 nan 8.250 nan 0.000 0.446 95 A N 0.068 122.830 122.820 -0.096 0.000 1.930 95 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 95 A C 0.516 178.060 177.584 -0.067 0.000 1.175 95 A CA 1.341 53.333 52.037 -0.076 0.000 0.627 95 A CB -0.020 18.929 19.000 -0.086 0.000 0.815 95 A HN 0.045 nan 8.150 nan 0.000 0.443 96 K N -0.420 119.923 120.400 -0.094 0.000 2.679 96 K HA 0.289 4.608 4.320 -0.001 0.000 0.188 96 K C -2.339 174.211 176.600 -0.082 0.000 1.055 96 K CA -2.262 53.981 56.287 -0.074 0.000 1.006 96 K CB 1.513 33.970 32.500 -0.070 0.000 1.317 96 K HN 0.100 nan 8.250 nan 0.000 0.584 97 P HA -0.267 nan 4.420 nan 0.000 0.222 97 P C 0.499 177.780 177.300 -0.031 0.000 1.142 97 P CA 1.167 64.241 63.100 -0.043 0.000 0.788 97 P CB 0.376 32.062 31.700 -0.023 0.000 0.767 98 E N 0.379 120.564 120.200 -0.024 0.000 2.347 98 E HA -0.083 4.267 4.350 -0.001 0.000 0.196 98 E C 1.683 178.283 176.600 -0.000 0.000 1.008 98 E CA 0.522 56.920 56.400 -0.003 0.000 0.852 98 E CB -0.759 28.946 29.700 0.009 0.000 0.783 98 E HN 0.300 nan 8.360 nan 0.000 0.505 99 L N 1.083 122.280 121.223 -0.043 0.000 2.592 99 L HA 0.140 4.479 4.340 -0.001 0.000 0.227 99 L C 0.751 177.581 176.870 -0.066 0.000 1.127 99 L CA -0.182 54.624 54.840 -0.057 0.000 0.884 99 L CB -0.051 41.872 42.059 -0.227 0.000 1.065 99 L HN 0.011 nan 8.230 nan 0.000 0.457 100 D N 0.845 121.209 120.400 -0.059 0.000 2.374 100 D HA 0.051 4.691 4.640 -0.001 0.000 0.240 100 D C 0.850 177.158 176.300 0.013 0.000 1.229 100 D CA 0.148 54.124 54.000 -0.040 0.000 0.895 100 D CB 1.076 41.860 40.800 -0.027 0.000 1.046 100 D HN 0.194 nan 8.370 nan 0.000 0.498 101 Q N 2.379 122.196 119.800 0.029 0.000 2.398 101 Q HA 0.106 4.446 4.340 -0.001 0.000 0.204 101 Q C 1.254 177.284 176.000 0.050 0.000 0.932 101 Q CA 0.359 56.191 55.803 0.048 0.000 0.916 101 Q CB 0.772 29.544 28.738 0.057 0.000 1.024 101 Q HN 0.248 nan 8.270 nan 0.000 0.504 102 R N -0.648 119.876 120.500 0.040 0.000 2.282 102 R HA 0.169 4.508 4.340 -0.001 0.000 0.195 102 R C 0.844 177.206 176.300 0.103 0.000 0.909 102 R CA 0.780 56.914 56.100 0.055 0.000 1.039 102 R CB 0.701 31.011 30.300 0.017 0.000 1.015 102 R HN 0.319 nan 8.270 nan 0.000 0.513 103 G N 1.924 110.787 108.800 0.105 0.000 2.171 103 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.238 103 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.238 103 G C 0.640 175.680 174.900 0.233 0.000 1.039 103 G CA 0.344 45.533 45.100 0.149 0.000 0.759 103 G HN 0.341 nan 8.290 nan 0.000 0.501 104 I N 0.257 120.938 120.570 0.185 0.000 2.676 104 I HA 0.024 4.194 4.170 -0.001 0.000 0.259 104 I C 2.081 178.357 176.117 0.266 0.000 1.194 104 I CA 1.498 62.945 61.300 0.244 0.000 1.473 104 I CB -0.085 38.025 38.000 0.184 0.000 1.096 104 I HN 0.270 nan 8.210 nan 0.000 0.443 105 N N 1.005 119.810 118.700 0.174 0.000 2.166 105 N HA -0.243 4.497 4.740 -0.001 0.000 0.186 105 N C 1.824 177.397 175.510 0.105 0.000 1.019 105 N CA 1.152 54.280 53.050 0.130 0.000 0.856 105 N CB -0.412 38.114 38.487 0.064 0.000 0.993 105 N HN 0.451 nan 8.380 nan 0.000 0.426 106 K N -0.244 120.207 120.400 0.085 0.000 2.063 106 K HA -0.144 4.175 4.320 -0.001 0.000 0.208 106 K C 1.462 177.975 176.600 -0.144 0.000 1.048 106 K CA 1.228 57.471 56.287 -0.074 0.000 0.928 106 K CB -0.134 32.263 32.500 -0.171 0.000 0.713 106 K HN 0.187 nan 8.250 nan 0.000 0.442 107 W N 0.691 122.027 121.300 0.059 0.000 2.539 107 W HA 0.097 4.756 4.660 -0.002 0.000 0.281 107 W C 0.458 177.013 176.519 0.059 0.000 1.220 107 W CA -0.234 57.146 57.345 0.058 0.000 1.332 107 W CB 0.231 29.726 29.460 0.058 0.000 1.095 107 W HN -0.280 nan 8.180 nan 0.000 0.571 108 V N 1.884 121.971 119.914 0.288 0.000 2.334 108 V HA 0.083 4.202 4.120 -0.001 0.000 0.267 108 V C 0.887 177.064 176.094 0.139 0.000 1.040 108 V CA 0.189 62.615 62.300 0.210 0.000 0.866 108 V CB 0.651 32.611 31.823 0.228 0.000 1.019 108 V HN 0.051 nan 8.190 nan 0.000 0.468 109 T N 2.789 117.404 114.554 0.101 0.000 2.737 109 T HA -0.033 4.316 4.350 -0.001 0.000 0.265 109 T C 0.798 175.524 174.700 0.043 0.000 1.038 109 T CA 1.523 63.658 62.100 0.057 0.000 1.144 109 T CB 0.063 68.955 68.868 0.041 0.000 0.866 109 T HN 0.783 nan 8.240 nan 0.000 0.434 110 S N -0.610 115.112 115.700 0.036 0.000 2.596 110 S HA 0.616 5.086 4.470 -0.001 0.000 0.270 110 S C -1.515 173.044 174.600 -0.068 0.000 1.155 110 S CA -0.970 57.226 58.200 -0.007 0.000 0.827 110 S CB 2.235 65.424 63.200 -0.019 0.000 1.130 110 S HN -0.055 nan 8.310 nan 0.000 0.467 111 V N 2.345 122.168 119.914 -0.152 0.000 2.385 111 V HA 0.393 4.512 4.120 -0.001 0.000 0.277 111 V C -0.235 175.685 176.094 -0.289 0.000 1.012 111 V CA -0.562 61.514 62.300 -0.374 0.000 0.832 111 V CB 0.644 32.171 31.823 -0.494 0.000 1.028 111 V HN 0.983 nan 8.190 nan 0.000 0.436 112 E N 3.345 123.396 120.200 -0.249 0.000 2.277 112 E HA 0.474 4.824 4.350 -0.001 0.000 0.274 112 E C -0.405 176.092 176.600 -0.172 0.000 1.022 112 E CA -0.961 55.342 56.400 -0.162 0.000 0.853 112 E CB 1.903 31.544 29.700 -0.099 0.000 1.086 112 E HN 0.473 nan 8.360 nan 0.000 0.397 113 K N 3.040 123.368 120.400 -0.119 0.000 2.268 113 K HA 0.142 4.462 4.320 -0.001 0.000 0.276 113 K C 0.148 176.707 176.600 -0.068 0.000 1.080 113 K CA -0.430 55.795 56.287 -0.103 0.000 0.910 113 K CB 0.993 33.439 32.500 -0.090 0.000 1.163 113 K HN 0.542 nan 8.250 nan 0.000 0.465 114 V N 2.801 122.684 119.914 -0.052 0.000 2.407 114 V HA -0.126 3.994 4.120 -0.001 0.000 0.245 114 V C 0.535 176.617 176.094 -0.021 0.000 1.041 114 V CA 1.595 63.880 62.300 -0.024 0.000 1.040 114 V CB -0.711 31.112 31.823 -0.000 0.000 0.671 114 V HN 0.997 nan 8.190 nan 0.000 0.455 115 D N -2.849 117.534 120.400 -0.027 0.000 2.692 115 D HA 0.134 4.773 4.640 -0.001 0.000 0.303 115 D C 0.633 176.877 176.300 -0.093 0.000 1.278 115 D CA -0.313 53.666 54.000 -0.035 0.000 0.852 115 D CB 0.854 41.658 40.800 0.007 0.000 1.375 115 D HN -0.122 nan 8.370 nan 0.000 0.453 116 E N -1.229 118.880 120.200 -0.152 0.000 2.169 116 E HA -0.221 4.128 4.350 -0.001 0.000 0.202 116 E C 0.061 176.271 176.600 -0.651 0.000 1.016 116 E CA 1.791 57.944 56.400 -0.411 0.000 0.817 116 E CB -0.173 29.244 29.700 -0.472 0.000 0.736 116 E HN 0.507 nan 8.360 nan 0.000 0.462 117 Y N -0.938 119.360 120.300 -0.002 0.000 2.698 117 Y HA 0.432 4.982 4.550 -0.001 0.000 0.261 117 Y C -0.473 175.447 175.900 0.034 0.000 1.104 117 Y CA -0.497 57.608 58.100 0.009 0.000 1.145 117 Y CB 0.756 39.227 38.460 0.017 0.000 1.191 117 Y HN -0.211 nan 8.280 nan 0.000 0.564 118 K N 1.091 121.550 120.400 0.098 0.000 2.553 118 K HA 0.647 4.967 4.320 -0.001 0.000 0.250 118 K C -2.018 174.605 176.600 0.038 0.000 0.953 118 K CA -0.672 55.678 56.287 0.105 0.000 0.800 118 K CB 2.278 34.833 32.500 0.093 0.000 1.243 118 K HN -0.014 nan 8.250 nan 0.000 0.435 119 V N 3.778 123.726 119.914 0.056 0.000 2.823 119 V HA 0.665 4.784 4.120 -0.001 0.000 0.312 119 V C -1.464 174.589 176.094 -0.067 0.000 1.072 119 V CA -0.788 61.457 62.300 -0.091 0.000 0.937 119 V CB 1.929 33.605 31.823 -0.244 0.000 1.013 119 V HN 0.866 nan 8.190 nan 0.000 0.430 120 R N 4.557 124.938 120.500 -0.198 0.000 2.476 120 R HA 0.517 4.857 4.340 -0.001 0.000 0.305 120 R C -1.973 174.182 176.300 -0.240 0.000 0.965 120 R CA -0.489 55.564 56.100 -0.078 0.000 0.867 120 R CB 1.346 31.641 30.300 -0.008 0.000 1.176 120 R HN 0.641 nan 8.270 nan 0.000 0.447 121 F N 3.572 123.521 119.950 -0.002 0.000 2.410 121 F HA 0.487 5.013 4.527 -0.001 0.000 0.349 121 F C 0.691 176.488 175.800 -0.006 0.000 1.117 121 F CA -0.563 57.398 58.000 -0.066 0.000 1.104 121 F CB 1.238 40.168 39.000 -0.116 0.000 1.122 121 F HN 0.194 nan 8.300 nan 0.000 0.483 122 R N 4.517 125.098 120.500 0.134 0.000 2.338 122 R HA 0.587 4.927 4.340 -0.001 0.000 0.317 122 R C -0.912 175.464 176.300 0.126 0.000 0.968 122 R CA -0.776 55.388 56.100 0.108 0.000 0.849 122 R CB 1.637 31.971 30.300 0.056 0.000 1.128 122 R HN 0.614 nan 8.270 nan 0.000 0.448 123 L N 1.145 122.450 121.223 0.136 0.000 2.399 123 L HA 0.257 4.596 4.340 -0.001 0.000 0.265 123 L C 1.603 178.545 176.870 0.120 0.000 1.089 123 L CA -0.356 54.581 54.840 0.162 0.000 0.802 123 L CB 1.604 43.787 42.059 0.207 0.000 1.180 123 L HN 0.725 nan 8.230 nan 0.000 0.454 124 S N -0.807 114.958 115.700 0.109 0.000 2.501 124 S HA 0.075 4.545 4.470 -0.001 0.000 0.220 124 S C 0.308 174.920 174.600 0.020 0.000 0.997 124 S CA -0.032 58.186 58.200 0.030 0.000 0.919 124 S CB 0.164 63.340 63.200 -0.039 0.000 0.778 124 S HN 0.743 nan 8.310 nan 0.000 0.523 125 E N -0.221 120.038 120.200 0.099 0.000 2.375 125 E HA 0.579 4.928 4.350 -0.001 0.000 0.280 125 E C -1.362 175.425 176.600 0.311 0.000 0.972 125 E CA -0.834 55.643 56.400 0.129 0.000 0.782 125 E CB 1.798 31.465 29.700 -0.055 0.000 1.229 125 E HN 0.284 nan 8.360 nan 0.000 0.439 126 A N 3.252 126.220 122.820 0.247 0.000 2.546 126 A HA 0.252 4.571 4.320 -0.001 0.000 0.243 126 A C -0.101 177.654 177.584 0.285 0.000 1.063 126 A CA 0.252 52.423 52.037 0.224 0.000 0.757 126 A CB 0.051 19.140 19.000 0.148 0.000 0.991 126 A HN 0.476 nan 8.150 nan 0.000 0.503 127 N N 1.170 119.960 118.700 0.151 0.000 2.747 127 N HA 0.043 4.782 4.740 -0.001 0.000 0.262 127 N C 0.429 175.891 175.510 -0.079 0.000 1.261 127 N CA 0.283 53.328 53.050 -0.008 0.000 0.809 127 N CB 1.146 39.481 38.487 -0.253 0.000 1.450 127 N HN 0.566 nan 8.380 nan 0.000 0.560 128 S N 1.538 117.208 115.700 -0.050 0.000 2.507 128 S HA -0.032 4.437 4.470 -0.001 0.000 0.235 128 S C 0.980 175.421 174.600 -0.265 0.000 0.988 128 S CA 0.675 58.824 58.200 -0.085 0.000 0.944 128 S CB -0.206 62.990 63.200 -0.006 0.000 0.762 128 S HN 0.652 nan 8.310 nan 0.000 0.526 129 N N 0.188 118.573 118.700 -0.526 0.000 2.270 129 N HA 0.160 4.900 4.740 -0.001 0.000 0.198 129 N C 1.212 176.425 175.510 -0.496 0.000 1.117 129 N CA 0.078 52.671 53.050 -0.762 0.000 0.845 129 N CB 0.247 37.770 38.487 -1.607 0.000 0.980 129 N HN 0.237 nan 8.380 nan 0.000 0.486 130 V N 1.994 121.690 119.914 -0.364 0.000 2.469 130 V HA -0.111 4.009 4.120 -0.001 0.000 0.251 130 V C -1.002 174.916 176.094 -0.294 0.000 1.064 130 V CA 1.741 63.859 62.300 -0.303 0.000 1.066 130 V CB -0.529 31.175 31.823 -0.198 0.000 0.667 130 V HN 0.267 nan 8.190 nan 0.000 0.461 131 P HA -0.197 nan 4.420 nan 0.000 0.215 131 P C 1.433 178.563 177.300 -0.283 0.000 1.153 131 P CA 1.679 64.633 63.100 -0.242 0.000 0.853 131 P CB -0.170 31.270 31.700 -0.434 0.000 0.788 132 Y N 1.038 120.904 120.300 -0.724 0.000 2.145 132 Y HA -0.206 4.344 4.550 -0.000 0.000 0.286 132 Y C 2.221 177.818 175.900 -0.505 0.000 1.145 132 Y CA 1.601 59.066 58.100 -1.058 0.000 1.148 132 Y CB -0.520 37.257 38.460 -1.137 0.000 0.981 132 Y HN -0.150 nan 8.280 nan 0.000 0.507 133 E N 0.617 120.594 120.200 -0.373 0.000 2.085 133 E HA -0.222 4.128 4.350 -0.001 0.000 0.194 133 E C 2.323 178.752 176.600 -0.285 0.000 0.994 133 E CA 1.711 57.924 56.400 -0.312 0.000 0.801 133 E CB -0.477 29.093 29.700 -0.217 0.000 0.743 133 E HN 0.631 nan 8.360 nan 0.000 0.453 134 I N 1.526 121.924 120.570 -0.287 0.000 2.226 134 I HA -0.271 3.899 4.170 -0.001 0.000 0.245 134 I C 2.498 178.508 176.117 -0.177 0.000 1.100 134 I CA 1.396 62.549 61.300 -0.244 0.000 1.374 134 I CB -0.279 37.324 38.000 -0.661 0.000 1.057 134 I HN 0.062 nan 8.210 nan 0.000 0.413 135 S N 0.746 116.317 115.700 -0.214 0.000 2.465 135 S HA -0.104 4.365 4.470 -0.001 0.000 0.241 135 S C 1.697 176.199 174.600 -0.164 0.000 1.000 135 S CA 0.912 59.041 58.200 -0.119 0.000 0.964 135 S CB -0.583 62.634 63.200 0.028 0.000 0.763 135 S HN 0.483 nan 8.310 nan 0.000 0.512 136 L N 0.158 121.223 121.223 -0.262 0.000 2.607 136 L HA 0.423 4.763 4.340 -0.001 0.000 0.228 136 L C -0.313 176.464 176.870 -0.154 0.000 1.123 136 L CA -0.128 54.569 54.840 -0.239 0.000 0.890 136 L CB -0.109 41.745 42.059 -0.343 0.000 1.103 136 L HN 0.244 nan 8.230 nan 0.000 0.468 137 I N 2.115 122.611 120.570 -0.124 0.000 2.304 137 I HA 0.188 4.358 4.170 -0.001 0.000 0.291 137 I C -1.815 174.233 176.117 -0.115 0.000 1.018 137 I CA -1.804 59.408 61.300 -0.146 0.000 1.260 137 I CB 0.755 38.570 38.000 -0.308 0.000 1.390 137 I HN -0.152 nan 8.210 nan 0.000 0.475 138 P HA 0.118 nan 4.420 nan 0.000 0.266 138 P C -0.556 176.683 177.300 -0.102 0.000 1.195 138 P CA 0.216 63.208 63.100 -0.181 0.000 0.768 138 P CB 0.808 32.222 31.700 -0.477 0.000 0.838 139 I N 3.007 123.590 120.570 0.022 0.000 2.382 139 I HA 0.181 4.350 4.170 -0.001 0.000 0.285 139 I C 0.794 177.080 176.117 0.282 0.000 1.007 139 I CA -1.044 60.373 61.300 0.196 0.000 1.142 139 I CB 1.671 39.912 38.000 0.403 0.000 1.289 139 I HN 0.148 nan 8.210 nan 0.000 0.453 140 V N 3.104 123.030 119.914 0.021 0.000 3.234 140 V HA 0.747 4.866 4.120 -0.001 0.000 0.317 140 V C 0.573 176.659 176.094 -0.014 0.000 1.081 140 V CA -0.822 61.385 62.300 -0.154 0.000 1.037 140 V CB 1.555 32.675 31.823 -1.173 0.000 1.148 140 V HN 0.728 nan 8.190 nan 0.000 0.453 141 A N 1.095 123.610 122.820 -0.507 0.000 2.350 141 A HA 0.451 4.771 4.320 -0.001 0.000 0.293 141 A C 1.030 178.268 177.584 -0.576 0.000 1.231 141 A CA 0.214 51.614 52.037 -1.063 0.000 0.883 141 A CB -0.302 17.605 19.000 -1.821 0.000 1.133 141 A HN 1.190 nan 8.150 nan 0.000 0.533 142 E N 2.584 122.534 120.200 -0.417 0.000 2.110 142 E HA -0.307 4.043 4.350 -0.001 0.000 0.193 142 E C 1.205 177.547 176.600 -0.429 0.000 0.988 142 E CA 2.203 58.271 56.400 -0.553 0.000 0.804 142 E CB -0.847 28.687 29.700 -0.276 0.000 0.745 142 E HN 0.939 nan 8.360 nan 0.000 0.458 143 H N -0.991 117.918 119.070 -0.269 0.000 2.545 143 H HA 0.106 4.662 4.556 -0.001 0.000 0.282 143 H C 1.360 176.583 175.328 -0.175 0.000 1.020 143 H CA 1.158 57.091 56.048 -0.192 0.000 1.243 143 H CB -0.009 29.668 29.762 -0.143 0.000 1.377 143 H HN 0.115 nan 8.280 nan 0.000 0.581 144 V N -1.085 118.504 119.914 -0.541 0.000 2.743 144 V HA -0.039 4.081 4.120 -0.001 0.000 0.237 144 V C 1.401 177.322 176.094 -0.289 0.000 1.113 144 V CA 0.538 62.630 62.300 -0.346 0.000 1.141 144 V CB -0.377 31.244 31.823 -0.336 0.000 0.873 144 V HN 0.420 nan 8.190 nan 0.000 0.486 145 W N 1.027 122.050 121.300 -0.461 0.000 2.595 145 W HA 0.047 4.714 4.660 0.010 0.000 0.257 145 W C 2.168 178.453 176.519 -0.389 0.000 1.267 145 W CA 0.656 57.772 57.345 -0.381 0.000 1.300 145 W CB -0.329 29.009 29.460 -0.204 0.000 1.120 145 W HN 0.153 nan 8.180 nan 0.000 0.618 146 K N -0.211 120.002 120.400 -0.311 0.000 2.365 146 K HA -0.088 4.232 4.320 -0.001 0.000 0.199 146 K C 0.721 177.250 176.600 -0.119 0.000 1.045 146 K CA 0.987 57.158 56.287 -0.194 0.000 0.962 146 K CB -0.067 32.305 32.500 -0.214 0.000 0.759 146 K HN 0.054 nan 8.250 nan 0.000 0.469 147 D N 0.275 120.570 120.400 -0.175 0.000 2.349 147 D HA 0.010 4.649 4.640 -0.001 0.000 0.214 147 D C -0.334 175.823 176.300 -0.237 0.000 1.063 147 D CA 0.262 54.161 54.000 -0.168 0.000 0.847 147 D CB 0.629 41.337 40.800 -0.153 0.000 0.933 147 D HN -0.137 nan 8.370 nan 0.000 0.513 148 V N 2.664 122.385 119.914 -0.322 0.000 2.408 148 V HA 0.026 4.145 4.120 -0.001 0.000 0.267 148 V C 1.382 177.334 176.094 -0.237 0.000 1.047 148 V CA -0.371 61.647 62.300 -0.470 0.000 0.937 148 V CB 1.673 32.970 31.823 -0.877 0.000 0.999 148 V HN -0.144 nan 8.190 nan 0.000 0.472 149 K N 2.759 123.048 120.400 -0.184 0.000 2.002 149 K HA -0.084 4.235 4.320 -0.001 0.000 0.209 149 K C 0.739 177.306 176.600 -0.054 0.000 1.048 149 K CA 1.238 57.470 56.287 -0.091 0.000 0.930 149 K CB -0.034 32.424 32.500 -0.071 0.000 0.714 149 K HN 0.746 nan 8.250 nan 0.000 0.438 150 D N -0.274 120.092 120.400 -0.058 0.000 2.408 150 D HA 0.213 4.853 4.640 -0.001 0.000 0.261 150 D C -2.249 174.077 176.300 0.043 0.000 1.190 150 D CA -2.354 51.648 54.000 0.002 0.000 0.910 150 D CB 1.457 42.267 40.800 0.017 0.000 1.097 150 D HN -0.224 nan 8.370 nan 0.000 0.522 151 P HA -0.111 nan 4.420 nan 0.000 0.221 151 P C 1.290 178.765 177.300 0.292 0.000 1.145 151 P CA 1.209 64.462 63.100 0.255 0.000 0.795 151 P CB 0.159 32.081 31.700 0.370 0.000 0.775 152 T N -4.803 109.854 114.554 0.172 0.000 3.035 152 T HA -0.075 4.274 4.350 -0.001 0.000 0.268 152 T C 1.415 176.199 174.700 0.141 0.000 1.109 152 T CA 1.703 63.890 62.100 0.145 0.000 1.119 152 T CB -1.161 67.755 68.868 0.081 0.000 0.900 152 T HN 0.208 nan 8.240 nan 0.000 0.503 153 T N -2.185 112.454 114.554 0.141 0.000 3.043 153 T HA 0.357 4.707 4.350 -0.001 0.000 0.272 153 T C 0.015 174.802 174.700 0.145 0.000 0.990 153 T CA -0.773 61.395 62.100 0.112 0.000 0.897 153 T CB -0.541 68.371 68.868 0.074 0.000 1.111 153 T HN 0.222 nan 8.240 nan 0.000 0.529 154 F N 4.688 124.631 119.950 -0.013 0.000 2.541 154 F HA 0.348 4.869 4.527 -0.010 0.000 0.378 154 F C 1.503 177.275 175.800 -0.046 0.000 1.068 154 F CA -0.389 57.558 58.000 -0.089 0.000 1.199 154 F CB 1.068 39.928 39.000 -0.233 0.000 1.091 154 F HN 0.210 nan 8.300 nan 0.000 0.555 155 T N 1.206 115.511 114.554 -0.414 0.000 3.100 155 T HA 0.004 4.353 4.350 -0.001 0.000 0.253 155 T C 1.041 175.357 174.700 -0.640 0.000 1.118 155 T CA 0.379 62.230 62.100 -0.416 0.000 1.058 155 T CB -0.737 67.974 68.868 -0.262 0.000 0.953 155 T HN 0.835 nan 8.240 nan 0.000 0.515 156 N N 1.482 119.283 118.700 -1.498 0.000 2.699 156 N HA -0.225 4.515 4.740 -0.001 0.000 0.256 156 N C 0.436 175.776 175.510 -0.283 0.000 0.993 156 N CA 0.498 52.868 53.050 -1.134 0.000 0.759 156 N CB -0.500 37.694 38.487 -0.488 0.000 0.906 156 N HN 0.673 nan 8.380 nan 0.000 0.541 157 E N -0.172 119.873 120.200 -0.259 0.000 2.204 157 E HA -0.130 4.219 4.350 -0.001 0.000 0.194 157 E C -0.146 176.453 176.600 -0.001 0.000 0.989 157 E CA 0.991 57.346 56.400 -0.075 0.000 0.824 157 E CB -0.065 29.538 29.700 -0.161 0.000 0.756 157 E HN 0.544 nan 8.360 nan 0.000 0.477 158 N N 1.604 120.288 118.700 -0.025 0.000 2.886 158 N HA 0.132 4.871 4.740 -0.001 0.000 0.285 158 N C -2.626 172.890 175.510 0.009 0.000 1.706 158 N CA -1.007 52.032 53.050 -0.018 0.000 0.904 158 N CB 0.991 39.480 38.487 0.003 0.000 1.224 158 N HN 0.038 nan 8.380 nan 0.000 0.488 159 P HA -0.020 nan 4.420 nan 0.000 0.266 159 P C -0.549 176.791 177.300 0.066 0.000 1.195 159 P CA 0.038 63.170 63.100 0.053 0.000 0.768 159 P CB 1.227 32.889 31.700 -0.063 0.000 0.838 160 V N 3.375 123.399 119.914 0.184 0.000 2.334 160 V HA 0.602 4.722 4.120 -0.001 0.000 0.281 160 V C 0.854 177.168 176.094 0.367 0.000 1.016 160 V CA -0.021 62.419 62.300 0.235 0.000 0.832 160 V CB 1.096 33.040 31.823 0.203 0.000 0.999 160 V HN 0.902 nan 8.190 nan 0.000 0.439 161 G N 2.341 111.317 108.800 0.295 0.000 2.714 161 G HA2 0.547 4.506 3.960 -0.001 0.000 0.292 161 G HA3 0.547 4.506 3.960 -0.001 0.000 0.292 161 G C 0.609 175.620 174.900 0.185 0.000 1.308 161 G CA 0.286 45.520 45.100 0.224 0.000 0.964 161 G HN 0.597 nan 8.290 nan 0.000 0.484 162 T N -2.309 112.171 114.554 -0.125 0.000 3.037 162 T HA 0.299 4.648 4.350 -0.001 0.000 0.251 162 T C 1.382 176.104 174.700 0.036 0.000 1.079 162 T CA 0.688 62.626 62.100 -0.270 0.000 1.067 162 T CB 0.108 68.554 68.868 -0.703 0.000 0.948 162 T HN 0.802 nan 8.240 nan 0.000 0.496 163 G N 2.640 111.424 108.800 -0.027 0.000 2.684 163 G HA2 0.388 4.347 3.960 -0.001 0.000 0.255 163 G HA3 0.388 4.347 3.960 -0.001 0.000 0.255 163 G C -1.122 173.511 174.900 -0.445 0.000 1.219 163 G CA -1.038 44.024 45.100 -0.063 0.000 0.901 163 G HN 0.102 nan 8.290 nan 0.000 0.548 164 P HA -0.001 nan 4.420 nan 0.000 0.221 164 P C -0.252 176.340 177.300 -1.180 0.000 1.150 164 P CA 0.968 63.092 63.100 -1.626 0.000 0.800 164 P CB 0.178 30.928 31.700 -1.583 0.000 0.787 165 F N 0.412 120.233 119.950 -0.216 0.000 2.513 165 F HA 0.296 4.822 4.527 -0.002 0.000 0.358 165 F C 1.246 176.982 175.800 -0.107 0.000 1.118 165 F CA -0.488 57.429 58.000 -0.139 0.000 1.037 165 F CB 1.001 39.921 39.000 -0.134 0.000 1.276 165 F HN -0.231 nan 8.300 nan 0.000 0.446 166 T N -2.274 112.296 114.554 0.026 0.000 2.958 166 T HA 0.233 4.582 4.350 -0.001 0.000 0.256 166 T C 0.224 174.894 174.700 -0.051 0.000 0.983 166 T CA 0.055 62.129 62.100 -0.044 0.000 0.924 166 T CB -0.029 68.821 68.868 -0.031 0.000 1.136 166 T HN 0.088 nan 8.240 nan 0.000 0.506 167 V N 4.107 124.027 119.914 0.010 0.000 2.408 167 V HA 0.306 4.426 4.120 -0.001 0.000 0.267 167 V C 0.081 176.191 176.094 0.026 0.000 1.047 167 V CA -0.830 61.480 62.300 0.017 0.000 0.937 167 V CB 0.483 32.333 31.823 0.045 0.000 0.999 167 V HN 0.425 nan 8.190 nan 0.000 0.472 168 I N 4.992 125.567 120.570 0.007 0.000 2.243 168 I HA 0.082 4.252 4.170 -0.001 0.000 0.297 168 I C 1.569 177.757 176.117 0.119 0.000 1.161 168 I CA 0.327 61.675 61.300 0.081 0.000 1.298 168 I CB -0.168 37.864 38.000 0.053 0.000 1.475 168 I HN 0.720 nan 8.210 nan 0.000 0.561 169 D N 3.750 124.221 120.400 0.119 0.000 2.219 169 D HA -0.087 4.552 4.640 -0.001 0.000 0.205 169 D C -0.083 176.288 176.300 0.118 0.000 0.970 169 D CA 1.079 55.139 54.000 0.100 0.000 0.851 169 D CB 0.813 41.658 40.800 0.075 0.000 0.943 169 D HN 0.386 nan 8.370 nan 0.000 0.488 170 T N -0.591 114.064 114.554 0.168 0.000 2.982 170 T HA 0.434 4.783 4.350 -0.001 0.000 0.321 170 T C -1.528 173.336 174.700 0.275 0.000 1.229 170 T CA -0.639 61.562 62.100 0.168 0.000 1.044 170 T CB 1.826 70.750 68.868 0.092 0.000 1.184 170 T HN -0.014 nan 8.240 nan 0.000 0.477 171 F N 2.881 122.895 119.950 0.107 0.000 2.787 171 F HA 0.520 5.050 4.527 0.005 0.000 0.340 171 F C -0.131 175.713 175.800 0.072 0.000 1.232 171 F CA -0.201 57.869 58.000 0.117 0.000 1.051 171 F CB 1.392 40.442 39.000 0.083 0.000 1.330 171 F HN 0.722 nan 8.300 nan 0.000 0.522 172 T N 2.420 116.896 114.554 -0.130 0.000 2.887 172 T HA 0.507 4.856 4.350 -0.001 0.000 0.292 172 T C -2.494 172.124 174.700 -0.136 0.000 1.087 172 T CA -1.983 60.102 62.100 -0.025 0.000 1.009 172 T CB 2.242 71.100 68.868 -0.017 0.000 1.203 172 T HN 0.213 nan 8.240 nan 0.000 0.518 173 P HA -0.049 nan 4.420 nan 0.000 0.222 173 P C 0.675 177.936 177.300 -0.064 0.000 1.147 173 P CA 1.136 64.217 63.100 -0.032 0.000 0.790 173 P CB 0.149 31.859 31.700 0.017 0.000 0.780 174 Q N -1.125 118.636 119.800 -0.064 0.000 2.282 174 Q HA 0.375 4.715 4.340 -0.001 0.000 0.206 174 Q C 0.274 176.226 176.000 -0.081 0.000 0.878 174 Q CA 0.107 55.880 55.803 -0.050 0.000 0.944 174 Q CB 0.578 29.300 28.738 -0.026 0.000 1.100 174 Q HN 0.159 nan 8.270 nan 0.000 0.509 175 L N -0.357 120.782 121.223 -0.140 0.000 2.700 175 L HA 0.450 4.790 4.340 -0.001 0.000 0.255 175 L C -2.178 174.574 176.870 -0.197 0.000 0.933 175 L CA -1.057 53.685 54.840 -0.163 0.000 0.920 175 L CB 1.035 43.029 42.059 -0.108 0.000 1.472 175 L HN 0.114 nan 8.230 nan 0.000 0.426 176 Y N 2.808 122.932 120.300 -0.293 0.000 2.534 176 Y HA 0.885 5.436 4.550 0.002 0.000 0.345 176 Y C -1.554 174.301 175.900 -0.075 0.000 1.031 176 Y CA -1.472 56.480 58.100 -0.248 0.000 1.022 176 Y CB 1.481 39.683 38.460 -0.430 0.000 1.292 176 Y HN 0.473 nan 8.280 nan 0.000 0.459 177 I N 3.351 124.017 120.570 0.161 0.000 2.418 177 I HA 0.317 4.486 4.170 -0.001 0.000 0.287 177 I C -0.920 175.285 176.117 0.147 0.000 1.008 177 I CA -0.767 60.561 61.300 0.046 0.000 1.104 177 I CB 2.115 40.124 38.000 0.014 0.000 1.264 177 I HN 0.691 nan 8.210 nan 0.000 0.438 178 Q N 5.513 125.355 119.800 0.070 0.000 2.372 178 Q HA 0.457 4.797 4.340 -0.001 0.000 0.259 178 Q C -1.236 174.766 176.000 0.003 0.000 0.993 178 Q CA -0.475 55.377 55.803 0.081 0.000 0.854 178 Q CB 1.388 30.192 28.738 0.111 0.000 1.231 178 Q HN 0.743 nan 8.270 nan 0.000 0.462 179 c N 2.117 120.773 118.600 0.092 0.000 2.407 179 c HA 0.493 5.062 4.570 -0.001 0.000 0.366 179 c C 0.181 174.420 174.090 0.248 0.000 1.213 179 c CA -0.845 55.581 56.329 0.162 0.000 2.011 179 c CB 1.106 43.674 42.510 0.097 0.000 2.306 179 c HN 0.904 nan 8.230 nan 0.000 0.527 180 R N 2.320 122.966 120.500 0.243 0.000 2.474 180 R HA -0.123 4.217 4.340 -0.001 0.000 0.290 180 R C 0.169 176.463 176.300 -0.011 0.000 0.918 180 R CA 0.497 56.626 56.100 0.048 0.000 1.130 180 R CB 0.146 30.465 30.300 0.031 0.000 0.881 180 R HN 0.778 nan 8.270 nan 0.000 0.416 181 N N 6.761 125.395 118.700 -0.110 0.000 2.427 181 N HA 0.001 4.741 4.740 -0.001 0.000 0.269 181 N C -1.686 173.841 175.510 0.029 0.000 1.235 181 N CA -1.721 51.308 53.050 -0.034 0.000 0.934 181 N CB 1.092 39.537 38.487 -0.068 0.000 1.121 181 N HN 0.468 nan 8.380 nan 0.000 0.480 182 P HA -0.091 nan 4.420 nan 0.000 0.223 182 P C -0.266 177.081 177.300 0.078 0.000 1.144 182 P CA 1.060 64.196 63.100 0.060 0.000 0.783 182 P CB 0.439 32.175 31.700 0.060 0.000 0.771 183 N N -1.554 117.210 118.700 0.107 0.000 2.351 183 N HA 0.034 4.774 4.740 -0.001 0.000 0.254 183 N C -0.261 175.344 175.510 0.158 0.000 1.241 183 N CA -0.528 52.594 53.050 0.120 0.000 0.883 183 N CB -0.097 38.470 38.487 0.133 0.000 1.202 183 N HN 0.095 nan 8.380 nan 0.000 0.512 184 Y N 2.567 122.853 120.300 -0.023 0.000 2.721 184 Y HA -0.123 4.426 4.550 -0.001 0.000 0.329 184 Y C 1.685 177.547 175.900 -0.063 0.000 1.211 184 Y CA -0.539 57.519 58.100 -0.071 0.000 1.512 184 Y CB 0.284 38.630 38.460 -0.190 0.000 1.249 184 Y HN 0.264 nan 8.280 nan 0.000 0.549 185 W N 4.423 125.442 121.300 -0.470 0.000 2.392 185 W HA -0.153 4.506 4.660 -0.002 0.000 0.279 185 W C -0.043 176.137 176.519 -0.564 0.000 1.225 185 W CA 1.302 58.383 57.345 -0.441 0.000 1.233 185 W CB -0.164 29.077 29.460 -0.365 0.000 1.122 185 W HN 0.547 nan 8.180 nan 0.000 0.561 186 D N 0.474 119.596 120.400 -2.130 0.000 2.643 186 D HA 0.343 4.982 4.640 -0.001 0.000 0.244 186 D C 1.901 177.738 176.300 -0.771 0.000 1.257 186 D CA 0.434 53.411 54.000 -1.704 0.000 0.831 186 D CB 0.177 39.621 40.800 -2.259 0.000 1.043 186 D HN 0.029 nan 8.370 nan 0.000 0.488 187 A N 0.501 123.064 122.820 -0.429 0.000 1.917 187 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 187 A C 2.278 179.810 177.584 -0.087 0.000 1.182 187 A CA 1.935 53.935 52.037 -0.062 0.000 0.633 187 A CB -0.676 18.305 19.000 -0.032 0.000 0.819 187 A HN 0.365 nan 8.150 nan 0.000 0.448 188 A N -0.470 122.267 122.820 -0.139 0.000 2.070 188 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 188 A C 1.654 179.182 177.584 -0.094 0.000 1.159 188 A CA 1.716 53.693 52.037 -0.099 0.000 0.656 188 A CB -0.645 18.296 19.000 -0.099 0.000 0.800 188 A HN 0.714 nan 8.150 nan 0.000 0.453 189 N N -1.177 117.444 118.700 -0.131 0.000 2.236 189 N HA 0.258 4.998 4.740 -0.001 0.000 0.196 189 N C -0.270 175.203 175.510 -0.061 0.000 1.114 189 N CA -0.138 52.852 53.050 -0.100 0.000 0.859 189 N CB 0.510 38.913 38.487 -0.140 0.000 0.982 189 N HN 0.345 nan 8.380 nan 0.000 0.493 190 L N 1.452 122.648 121.223 -0.046 0.000 2.262 190 L HA 0.267 4.606 4.340 -0.001 0.000 0.288 190 L C -0.013 176.845 176.870 -0.020 0.000 1.035 190 L CA 0.067 54.880 54.840 -0.045 0.000 0.820 190 L CB 0.857 42.863 42.059 -0.089 0.000 1.204 190 L HN 0.186 nan 8.230 nan 0.000 0.424 191 E N 3.205 123.405 120.200 0.001 0.000 2.501 191 E HA 0.129 4.479 4.350 -0.001 0.000 0.201 191 E C -0.480 176.174 176.600 0.090 0.000 1.016 191 E CA -0.104 56.313 56.400 0.029 0.000 0.920 191 E CB 1.384 31.092 29.700 0.014 0.000 1.023 191 E HN 0.342 nan 8.360 nan 0.000 0.474 192 V N 2.116 122.103 119.914 0.122 0.000 2.398 192 V HA 0.058 4.178 4.120 -0.001 0.000 0.286 192 V C 0.394 176.645 176.094 0.262 0.000 1.026 192 V CA -0.346 62.080 62.300 0.209 0.000 0.868 192 V CB 1.697 33.612 31.823 0.154 0.000 0.982 192 V HN 0.057 nan 8.190 nan 0.000 0.443 193 D N 1.913 122.440 120.400 0.210 0.000 2.201 193 D HA 0.074 4.713 4.640 -0.001 0.000 0.209 193 D C 0.374 176.808 176.300 0.224 0.000 0.961 193 D CA 0.992 55.109 54.000 0.194 0.000 0.861 193 D CB 0.345 41.212 40.800 0.111 0.000 0.997 193 D HN 0.542 nan 8.370 nan 0.000 0.486 194 c N 0.529 119.163 118.600 0.057 0.000 2.898 194 c HA 0.526 5.096 4.570 -0.001 0.000 0.304 194 c C -0.713 173.124 174.090 -0.422 0.000 1.237 194 c CA -0.953 55.296 56.329 -0.133 0.000 1.529 194 c CB 1.863 44.342 42.510 -0.051 0.000 2.021 194 c HN 0.096 nan 8.230 nan 0.000 0.474 195 L N 2.642 123.479 121.223 -0.643 0.000 2.265 195 L HA 0.518 4.858 4.340 -0.001 0.000 0.289 195 L C 0.369 177.011 176.870 -0.380 0.000 1.033 195 L CA 0.204 54.643 54.840 -0.668 0.000 0.814 195 L CB 0.409 41.924 42.059 -0.906 0.000 1.203 195 L HN 0.621 nan 8.230 nan 0.000 0.423 196 R N 3.455 123.781 120.500 -0.290 0.000 2.207 196 R HA 0.571 4.911 4.340 -0.001 0.000 0.334 196 R C -1.391 174.733 176.300 -0.292 0.000 1.013 196 R CA -0.403 55.557 56.100 -0.233 0.000 0.858 196 R CB 0.755 30.981 30.300 -0.124 0.000 1.094 196 R HN 0.424 nan 8.270 nan 0.000 0.457 197 V N 7.731 127.370 119.914 -0.458 0.000 2.250 197 V HA 0.320 4.440 4.120 -0.001 0.000 0.268 197 V C -1.993 173.865 176.094 -0.395 0.000 1.043 197 V CA -1.709 60.271 62.300 -0.533 0.000 0.814 197 V CB 0.774 31.944 31.823 -1.089 0.000 1.072 197 V HN 0.793 nan 8.190 nan 0.000 0.451 198 P HA 0.129 nan 4.420 nan 0.000 0.278 198 P C -0.640 176.653 177.300 -0.012 0.000 1.238 198 P CA -0.324 62.719 63.100 -0.096 0.000 0.794 198 P CB 1.144 32.812 31.700 -0.054 0.000 0.955 199 Q N 3.050 122.857 119.800 0.011 0.000 2.307 199 Q HA 0.276 4.616 4.340 -0.001 0.000 0.259 199 Q C -1.103 174.951 176.000 0.090 0.000 0.998 199 Q CA 0.031 55.893 55.803 0.098 0.000 0.923 199 Q CB -0.127 28.647 28.738 0.059 0.000 1.196 199 Q HN 0.452 nan 8.270 nan 0.000 0.416 200 I N 3.305 123.963 120.570 0.147 0.000 2.466 200 I HA 0.266 4.436 4.170 -0.001 0.000 0.289 200 I C 0.559 176.660 176.117 -0.027 0.000 1.026 200 I CA -0.489 60.833 61.300 0.037 0.000 1.078 200 I CB 1.976 40.014 38.000 0.063 0.000 1.249 200 I HN 0.735 nan 8.210 nan 0.000 0.429 201 A N 5.801 128.531 122.820 -0.150 0.000 1.970 201 A HA 0.094 4.414 4.320 -0.001 0.000 0.216 201 A C 0.638 177.993 177.584 -0.383 0.000 1.170 201 A CA 0.978 52.926 52.037 -0.148 0.000 0.645 201 A CB -0.212 18.742 19.000 -0.076 0.000 0.816 201 A HN 0.884 nan 8.150 nan 0.000 0.447 202 N N -3.522 114.709 118.700 -0.781 0.000 3.339 202 N HA 0.052 4.791 4.740 -0.001 0.000 0.275 202 N C -0.755 174.170 175.510 -0.976 0.000 1.514 202 N CA -0.613 51.906 53.050 -0.885 0.000 0.879 202 N CB -0.049 38.269 38.487 -0.282 0.000 1.557 202 N HN -0.140 nan 8.380 nan 0.000 0.524 203 N N 0.454 118.903 118.700 -0.419 0.000 2.289 203 N HA -0.091 4.648 4.740 -0.001 0.000 0.184 203 N C 0.572 176.011 175.510 -0.118 0.000 1.016 203 N CA 1.183 54.157 53.050 -0.127 0.000 0.872 203 N CB -0.374 38.188 38.487 0.125 0.000 0.973 203 N HN 0.422 nan 8.380 nan 0.000 0.433 204 D N 0.686 121.011 120.400 -0.126 0.000 2.097 204 D HA -0.097 4.542 4.640 -0.001 0.000 0.197 204 D C 1.739 177.973 176.300 -0.111 0.000 0.984 204 D CA 0.870 54.819 54.000 -0.085 0.000 0.826 204 D CB -0.134 40.630 40.800 -0.061 0.000 0.973 204 D HN 0.392 nan 8.370 nan 0.000 0.460 205 Q N 0.054 119.754 119.800 -0.167 0.000 2.167 205 Q HA -0.073 4.267 4.340 -0.001 0.000 0.202 205 Q C 2.292 178.210 176.000 -0.137 0.000 0.970 205 Q CA 0.368 56.084 55.803 -0.145 0.000 0.855 205 Q CB 0.025 28.663 28.738 -0.167 0.000 0.911 205 Q HN 0.184 nan 8.270 nan 0.000 0.438 206 L N 0.406 121.519 121.223 -0.185 0.000 2.056 206 L HA -0.160 4.180 4.340 -0.001 0.000 0.207 206 L C 2.088 178.908 176.870 -0.082 0.000 1.078 206 L CA 1.030 55.813 54.840 -0.095 0.000 0.749 206 L CB -0.357 41.696 42.059 -0.010 0.000 0.901 206 L HN 0.194 nan 8.230 nan 0.000 0.433 207 L N 0.083 121.250 121.223 -0.093 0.000 2.012 207 L HA -0.098 4.242 4.340 -0.001 0.000 0.210 207 L C 2.345 179.176 176.870 -0.065 0.000 1.073 207 L CA 2.243 57.025 54.840 -0.096 0.000 0.748 207 L CB -1.498 40.508 42.059 -0.089 0.000 0.891 207 L HN 0.316 nan 8.230 nan 0.000 0.431 208 G N -0.925 107.843 108.800 -0.053 0.000 2.440 208 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.218 208 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.218 208 G C 1.709 176.596 174.900 -0.021 0.000 1.154 208 G CA 1.040 46.121 45.100 -0.032 0.000 0.767 208 G HN 0.448 nan 8.290 nan 0.000 0.552 209 K N -0.405 119.977 120.400 -0.031 0.000 2.062 209 K HA 0.192 4.511 4.320 -0.001 0.000 0.205 209 K C 2.364 178.953 176.600 -0.018 0.000 1.051 209 K CA 0.649 56.925 56.287 -0.018 0.000 0.941 209 K CB -0.179 32.308 32.500 -0.021 0.000 0.719 209 K HN 0.326 nan 8.250 nan 0.000 0.440 210 I N 1.332 121.869 120.570 -0.054 0.000 2.315 210 I HA -0.220 3.950 4.170 -0.001 0.000 0.248 210 I C 1.946 178.047 176.117 -0.026 0.000 1.117 210 I CA 0.991 62.234 61.300 -0.096 0.000 1.404 210 I CB 0.145 38.000 38.000 -0.241 0.000 1.071 210 I HN -0.016 nan 8.210 nan 0.000 0.419 211 V N -1.988 117.949 119.914 0.039 0.000 2.667 211 V HA -0.132 3.988 4.120 -0.001 0.000 0.252 211 V C 1.553 177.756 176.094 0.181 0.000 1.065 211 V CA 1.842 64.233 62.300 0.150 0.000 1.083 211 V CB -1.370 30.509 31.823 0.094 0.000 0.692 211 V HN 0.430 nan 8.190 nan 0.000 0.468 212 N N 0.371 119.129 118.700 0.097 0.000 2.449 212 N HA 0.064 4.804 4.740 -0.001 0.000 0.191 212 N C 0.788 176.366 175.510 0.113 0.000 1.161 212 N CA 0.568 53.669 53.050 0.085 0.000 0.863 212 N CB 0.171 38.682 38.487 0.041 0.000 0.980 212 N HN 0.490 nan 8.380 nan 0.000 0.458 213 S N 0.890 116.690 115.700 0.166 0.000 3.521 213 S HA -0.194 4.276 4.470 -0.001 0.000 0.328 213 S C 0.910 175.576 174.600 0.111 0.000 1.165 213 S CA 1.088 59.409 58.200 0.201 0.000 0.941 213 S CB -1.348 62.029 63.200 0.296 0.000 0.951 213 S HN 0.721 nan 8.310 nan 0.000 0.539 214 E N 0.009 120.248 120.200 0.064 0.000 2.465 214 E HA 0.294 4.644 4.350 -0.001 0.000 0.191 214 E C 0.399 177.029 176.600 0.050 0.000 1.053 214 E CA -0.170 56.262 56.400 0.053 0.000 0.869 214 E CB 0.109 29.828 29.700 0.033 0.000 0.977 214 E HN 0.616 nan 8.360 nan 0.000 0.483 215 L N 0.652 121.900 121.223 0.043 0.000 2.341 215 L HA 0.374 4.713 4.340 -0.001 0.000 0.267 215 L C 0.171 177.085 176.870 0.075 0.000 1.009 215 L CA -0.894 53.970 54.840 0.041 0.000 0.819 215 L CB 1.837 43.892 42.059 -0.006 0.000 1.323 215 L HN -0.115 nan 8.230 nan 0.000 0.425 216 D N -0.048 120.427 120.400 0.125 0.000 2.856 216 D HA 0.025 4.664 4.640 -0.001 0.000 0.283 216 D C -0.538 175.860 176.300 0.164 0.000 1.051 216 D CA 0.813 54.930 54.000 0.195 0.000 0.965 216 D CB 0.701 41.698 40.800 0.328 0.000 1.201 216 D HN 0.316 nan 8.370 nan 0.000 0.474 217 W N 3.010 124.331 121.300 0.036 0.000 2.475 217 W HA 0.421 5.081 4.660 -0.000 0.000 0.320 217 W C -0.844 175.675 176.519 0.001 0.000 1.022 217 W CA -0.872 56.509 57.345 0.059 0.000 1.240 217 W CB 0.608 30.202 29.460 0.224 0.000 1.328 217 W HN -0.202 nan 8.180 nan 0.000 0.439 218 T N 1.212 115.881 114.554 0.192 0.000 2.864 218 T HA 0.668 5.018 4.350 -0.001 0.000 0.299 218 T C -0.569 174.116 174.700 -0.025 0.000 1.166 218 T CA -0.819 61.267 62.100 -0.023 0.000 1.007 218 T CB 1.838 70.665 68.868 -0.069 0.000 1.219 218 T HN 0.063 nan 8.240 nan 0.000 0.506 219 S N 0.909 116.526 115.700 -0.139 0.000 2.825 219 S HA 0.413 4.883 4.470 -0.001 0.000 0.242 219 S C 0.252 174.811 174.600 -0.068 0.000 0.980 219 S CA -0.559 57.488 58.200 -0.255 0.000 1.107 219 S CB -0.012 62.685 63.200 -0.839 0.000 1.172 219 S HN 1.068 nan 8.310 nan 0.000 0.483 220 S N 1.095 116.770 115.700 -0.043 0.000 2.730 220 S HA 0.744 5.214 4.470 -0.001 0.000 0.284 220 S C -0.235 174.385 174.600 0.033 0.000 1.153 220 S CA -0.685 57.523 58.200 0.013 0.000 0.995 220 S CB 0.714 63.949 63.200 0.057 0.000 1.058 220 S HN 0.350 nan 8.310 nan 0.000 0.552 221 F N 1.645 121.569 119.950 -0.043 0.000 2.427 221 F HA 0.625 5.151 4.527 -0.001 0.000 0.352 221 F C -0.926 174.845 175.800 -0.049 0.000 1.100 221 F CA -0.472 57.519 58.000 -0.015 0.000 1.191 221 F CB 0.737 39.721 39.000 -0.026 0.000 1.128 221 F HN 0.362 nan 8.300 nan 0.000 0.533 222 V N 8.064 127.370 119.914 -1.014 0.000 2.482 222 V HA 0.337 4.457 4.120 -0.001 0.000 0.295 222 V C -2.124 173.217 176.094 -1.255 0.000 1.026 222 V CA -1.624 60.135 62.300 -0.901 0.000 0.856 222 V CB 1.499 32.987 31.823 -0.558 0.000 1.001 222 V HN 0.694 nan 8.190 nan 0.000 0.424 223 P HA 0.140 nan 4.420 nan 0.000 0.271 223 P C -0.039 176.663 177.300 -0.996 0.000 1.218 223 P CA 0.234 62.582 63.100 -1.253 0.000 0.780 223 P CB 0.654 31.999 31.700 -0.591 0.000 0.901 224 D N 0.798 120.418 120.400 -1.300 0.000 2.740 224 D HA -0.214 4.425 4.640 -0.001 0.000 0.231 224 D C 0.848 176.949 176.300 -0.332 0.000 1.194 224 D CA 0.250 53.962 54.000 -0.479 0.000 0.673 224 D CB -1.079 39.606 40.800 -0.191 0.000 0.995 224 D HN 0.290 nan 8.370 nan 0.000 0.411 225 I N 0.551 120.879 120.570 -0.403 0.000 2.151 225 I HA -0.280 3.890 4.170 -0.001 0.000 0.243 225 I C 1.824 177.860 176.117 -0.134 0.000 1.080 225 I CA 1.871 62.971 61.300 -0.333 0.000 1.339 225 I CB -0.024 37.604 38.000 -0.620 0.000 1.039 225 I HN 0.230 nan 8.210 nan 0.000 0.409 226 D N 0.041 120.382 120.400 -0.099 0.000 2.084 226 D HA -0.174 4.466 4.640 -0.001 0.000 0.194 226 D C 2.364 178.661 176.300 -0.004 0.000 0.990 226 D CA 1.238 55.247 54.000 0.015 0.000 0.826 226 D CB -0.288 40.537 40.800 0.043 0.000 0.971 226 D HN 0.380 nan 8.370 nan 0.000 0.453 227 R N 0.086 120.575 120.500 -0.019 0.000 2.062 227 R HA -0.093 4.246 4.340 -0.001 0.000 0.231 227 R C 2.536 178.825 176.300 -0.019 0.000 1.136 227 R CA 1.836 57.926 56.100 -0.016 0.000 0.948 227 R CB -0.459 29.837 30.300 -0.007 0.000 0.845 227 R HN 0.295 nan 8.270 nan 0.000 0.430 228 T N -2.626 111.911 114.554 -0.028 0.000 2.942 228 T HA -0.125 4.225 4.350 -0.001 0.000 0.265 228 T C 1.662 176.400 174.700 0.063 0.000 1.062 228 T CA 0.848 62.942 62.100 -0.009 0.000 1.139 228 T CB -0.157 68.679 68.868 -0.054 0.000 0.883 228 T HN 0.404 nan 8.240 nan 0.000 0.468 229 Y N 0.643 120.893 120.300 -0.083 0.000 2.569 229 Y HA 0.585 5.135 4.550 -0.001 0.000 0.278 229 Y C 2.710 178.650 175.900 0.066 0.000 1.130 229 Y CA 0.313 58.393 58.100 -0.034 0.000 1.280 229 Y CB -0.314 38.058 38.460 -0.147 0.000 1.379 229 Y HN 0.181 nan 8.280 nan 0.000 0.508 230 A N 1.038 123.767 122.820 -0.152 0.000 1.873 230 A HA -0.071 4.248 4.320 -0.001 0.000 0.215 230 A C 2.156 179.613 177.584 -0.211 0.000 1.186 230 A CA 1.806 53.706 52.037 -0.229 0.000 0.616 230 A CB -1.457 17.583 19.000 0.067 0.000 0.823 230 A HN 0.609 nan 8.150 nan 0.000 0.442 231 A N -0.677 122.073 122.820 -0.116 0.000 2.168 231 A HA 0.374 4.693 4.320 -0.001 0.000 0.215 231 A C 2.125 179.624 177.584 -0.141 0.000 1.152 231 A CA 1.372 53.342 52.037 -0.112 0.000 0.716 231 A CB -0.601 18.362 19.000 -0.060 0.000 0.794 231 A HN 0.948 nan 8.150 nan 0.000 0.465 232 A N -0.861 121.864 122.820 -0.158 0.000 2.123 232 A HA 0.183 4.503 4.320 -0.001 0.000 0.214 232 A C 0.754 178.148 177.584 -0.317 0.000 1.152 232 A CA 0.742 52.681 52.037 -0.165 0.000 0.728 232 A CB -0.085 18.878 19.000 -0.061 0.000 0.814 232 A HN 0.462 nan 8.150 nan 0.000 0.464 233 N N -1.582 116.821 118.700 -0.494 0.000 2.635 233 N HA 0.140 4.879 4.740 -0.001 0.000 0.260 233 N C -2.988 172.185 175.510 -0.561 0.000 1.078 233 N CA -1.020 51.648 53.050 -0.636 0.000 1.012 233 N CB 1.606 39.351 38.487 -1.238 0.000 1.677 233 N HN -0.189 nan 8.380 nan 0.000 0.514 234 P HA 0.020 nan 4.420 nan 0.000 0.234 234 P C 0.028 177.088 177.300 -0.400 0.000 1.167 234 P CA 0.976 63.881 63.100 -0.325 0.000 0.763 234 P CB 0.352 31.944 31.700 -0.180 0.000 0.835 235 N N -1.685 116.785 118.700 -0.384 0.000 2.353 235 N HA -0.017 4.722 4.740 -0.001 0.000 0.185 235 N C 0.046 175.361 175.510 -0.325 0.000 1.098 235 N CA 0.031 52.935 53.050 -0.242 0.000 0.872 235 N CB -0.307 38.142 38.487 -0.064 0.000 0.970 235 N HN 0.182 nan 8.380 nan 0.000 0.467 236 H N 0.884 119.538 119.070 -0.693 0.000 2.864 236 H HA 0.244 4.799 4.556 -0.001 0.000 0.281 236 H C -0.139 174.591 175.328 -0.997 0.000 1.093 236 H CA 0.046 55.559 56.048 -0.892 0.000 1.453 236 H CB -0.174 28.805 29.762 -1.305 0.000 1.462 236 H HN 0.170 nan 8.280 nan 0.000 0.480 237 H N 2.813 121.571 119.070 -0.521 0.000 2.797 237 H HA 0.301 4.856 4.556 -0.001 0.000 0.372 237 H C -0.585 174.494 175.328 -0.415 0.000 1.168 237 H CA -0.613 55.021 56.048 -0.689 0.000 1.163 237 H CB 2.407 31.297 29.762 -1.454 0.000 1.778 237 H HN 0.676 nan 8.280 nan 0.000 0.551 238 Y N -1.223 119.058 120.300 -0.032 0.000 2.670 238 Y HA 0.515 5.065 4.550 -0.001 0.000 0.334 238 Y C -2.115 174.112 175.900 0.545 0.000 1.185 238 Y CA -1.466 56.755 58.100 0.201 0.000 1.053 238 Y CB 1.854 40.450 38.460 0.227 0.000 1.298 238 Y HN 0.630 nan 8.280 nan 0.000 0.459 239 W N 2.907 124.653 121.300 0.744 0.000 3.268 239 W HA 0.467 5.127 4.660 -0.001 0.000 0.330 239 W C -2.691 174.369 176.519 0.901 0.000 1.074 239 W CA -1.826 55.949 57.345 0.715 0.000 1.263 239 W CB 0.802 30.673 29.460 0.685 0.000 1.250 239 W HN 0.626 nan 8.180 nan 0.000 0.425 240 Y N 7.828 128.290 120.300 0.270 0.000 2.921 240 Y HA 0.266 4.816 4.550 -0.001 0.000 0.346 240 Y C -1.427 174.374 175.900 -0.166 0.000 1.182 240 Y CA -2.296 55.830 58.100 0.043 0.000 1.319 240 Y CB 0.391 38.948 38.460 0.162 0.000 1.403 240 Y HN 0.040 nan 8.280 nan 0.000 0.554 241 P HA 0.037 nan 4.420 nan 0.000 0.269 241 P C -0.007 177.238 177.300 -0.091 0.000 1.209 241 P CA -0.067 62.873 63.100 -0.267 0.000 0.776 241 P CB 1.154 32.520 31.700 -0.557 0.000 0.876 242 A N 2.180 124.967 122.820 -0.054 0.000 2.555 242 A HA 0.405 4.725 4.320 -0.001 0.000 0.233 242 A C 0.641 177.987 177.584 -0.396 0.000 1.060 242 A CA 0.872 52.804 52.037 -0.175 0.000 0.759 242 A CB -0.528 18.396 19.000 -0.127 0.000 0.995 242 A HN 0.778 nan 8.150 nan 0.000 0.506 243 A N 1.457 123.845 122.820 -0.720 0.000 3.886 243 A HA 0.891 5.210 4.320 -0.001 0.000 0.217 243 A C 0.714 177.461 177.584 -1.395 0.000 0.876 243 A CA 0.002 51.289 52.037 -1.250 0.000 0.726 243 A CB -0.146 17.799 19.000 -1.759 0.000 1.479 243 A HN 1.843 nan 8.150 nan 0.000 0.792 244 G N -1.020 107.132 108.800 -1.080 0.000 2.525 244 G HA2 0.493 4.452 3.960 -0.001 0.000 0.287 244 G HA3 0.493 4.452 3.960 -0.001 0.000 0.287 244 G C -0.107 174.531 174.900 -0.436 0.000 1.350 244 G CA 0.288 45.016 45.100 -0.621 0.000 1.039 244 G HN 0.689 nan 8.290 nan 0.000 0.513 245 T N 0.341 114.679 114.554 -0.360 0.000 2.882 245 T HA 0.443 4.793 4.350 -0.001 0.000 0.287 245 T C -0.132 174.531 174.700 -0.062 0.000 1.014 245 T CA 0.150 62.066 62.100 -0.308 0.000 1.049 245 T CB 0.969 69.477 68.868 -0.601 0.000 1.001 245 T HN 0.413 nan 8.240 nan 0.000 0.525 246 Q N 0.041 119.776 119.800 -0.108 0.000 2.347 246 Q HA 0.698 5.038 4.340 -0.001 0.000 0.271 246 Q C -1.046 174.812 176.000 -0.235 0.000 1.064 246 Q CA -0.953 54.699 55.803 -0.251 0.000 0.800 246 Q CB 2.557 31.085 28.738 -0.350 0.000 1.304 246 Q HN 0.825 nan 8.270 nan 0.000 0.438 247 A N 1.381 123.946 122.820 -0.425 0.000 2.564 247 A HA 0.720 5.039 4.320 -0.001 0.000 0.291 247 A C -1.997 175.443 177.584 -0.239 0.000 1.102 247 A CA -0.693 51.253 52.037 -0.151 0.000 0.660 247 A CB 0.859 19.979 19.000 0.200 0.000 1.283 247 A HN 0.528 nan 8.150 nan 0.000 0.430 248 F N 0.755 120.848 119.950 0.238 0.000 2.411 248 F HA 0.597 5.123 4.527 -0.001 0.000 0.355 248 F C 0.628 176.524 175.800 0.159 0.000 1.117 248 F CA 0.205 58.355 58.000 0.251 0.000 1.139 248 F CB 1.428 40.624 39.000 0.326 0.000 1.120 248 F HN 0.383 nan 8.300 nan 0.000 0.493 249 M N 3.786 123.583 119.600 0.328 0.000 2.238 249 M HA 0.436 4.915 4.480 -0.001 0.000 0.350 249 M C -0.929 175.575 176.300 0.341 0.000 1.138 249 M CA -0.650 54.837 55.300 0.313 0.000 1.040 249 M CB 1.555 34.319 32.600 0.272 0.000 1.639 249 M HN 0.225 nan 8.290 nan 0.000 0.451 250 V N 3.256 123.306 119.914 0.226 0.000 2.472 250 V HA 0.272 4.391 4.120 -0.001 0.000 0.290 250 V C -0.029 176.127 176.094 0.102 0.000 1.037 250 V CA -0.844 61.479 62.300 0.039 0.000 0.908 250 V CB 1.838 33.545 31.823 -0.193 0.000 0.985 250 V HN 0.743 nan 8.190 nan 0.000 0.454 251 N N 3.309 121.877 118.700 -0.220 0.000 2.439 251 N HA 0.190 4.929 4.740 -0.001 0.000 0.243 251 N C 0.438 175.955 175.510 0.012 0.000 1.088 251 N CA -0.101 52.841 53.050 -0.180 0.000 0.940 251 N CB 0.287 38.292 38.487 -0.804 0.000 1.180 251 N HN 0.482 nan 8.380 nan 0.000 0.505 252 F N 2.052 122.067 119.950 0.108 0.000 2.408 252 F HA -0.090 4.437 4.527 -0.001 0.000 0.300 252 F C 1.653 177.474 175.800 0.035 0.000 1.090 252 F CA 0.995 59.054 58.000 0.098 0.000 1.427 252 F CB 0.131 39.264 39.000 0.222 0.000 1.070 252 F HN 0.593 nan 8.300 nan 0.000 0.549 253 K N -0.549 119.949 120.400 0.163 0.000 2.861 253 K HA 0.176 4.496 4.320 -0.001 0.000 0.210 253 K C -0.256 176.287 176.600 -0.095 0.000 1.112 253 K CA -0.462 55.827 56.287 0.003 0.000 1.076 253 K CB -0.369 32.085 32.500 -0.076 0.000 0.853 253 K HN -0.046 nan 8.250 nan 0.000 0.463 254 N N 2.920 121.549 118.700 -0.118 0.000 2.412 254 N HA -0.028 4.712 4.740 -0.001 0.000 0.258 254 N C -1.171 174.268 175.510 -0.118 0.000 1.236 254 N CA -1.103 51.855 53.050 -0.153 0.000 0.882 254 N CB 0.824 39.199 38.487 -0.185 0.000 1.066 254 N HN 0.095 nan 8.380 nan 0.000 0.465 255 P HA -0.103 nan 4.420 nan 0.000 0.226 255 P C -0.431 176.824 177.300 -0.074 0.000 1.153 255 P CA 0.812 63.862 63.100 -0.083 0.000 0.777 255 P CB 0.053 31.710 31.700 -0.073 0.000 0.794 256 D N 1.237 121.590 120.400 -0.080 0.000 2.348 256 D HA 0.061 4.701 4.640 -0.001 0.000 0.253 256 D C -0.930 175.316 176.300 -0.090 0.000 1.161 256 D CA -2.227 51.731 54.000 -0.070 0.000 0.876 256 D CB 1.137 41.901 40.800 -0.059 0.000 1.160 256 D HN -0.039 nan 8.370 nan 0.000 0.459 257 P HA -0.233 nan 4.420 nan 0.000 0.215 257 P C 0.981 178.205 177.300 -0.127 0.000 1.157 257 P CA 1.335 64.381 63.100 -0.089 0.000 0.868 257 P CB 0.050 31.710 31.700 -0.067 0.000 0.788 258 A N 0.794 123.544 122.820 -0.116 0.000 1.877 258 A HA -0.195 4.124 4.320 -0.001 0.000 0.216 258 A C 2.309 179.692 177.584 -0.335 0.000 1.186 258 A CA 2.093 54.029 52.037 -0.168 0.000 0.620 258 A CB -1.206 17.771 19.000 -0.040 0.000 0.822 258 A HN 0.157 nan 8.150 nan 0.000 0.443 259 K N -0.479 119.764 120.400 -0.261 0.000 2.097 259 K HA -0.158 4.162 4.320 -0.001 0.000 0.206 259 K C 2.182 178.563 176.600 -0.365 0.000 1.049 259 K CA 1.603 57.683 56.287 -0.344 0.000 0.933 259 K CB -0.139 32.256 32.500 -0.174 0.000 0.717 259 K HN 0.500 nan 8.250 nan 0.000 0.442 260 K N 1.530 121.776 120.400 -0.257 0.000 2.148 260 K HA -0.176 4.144 4.320 -0.001 0.000 0.204 260 K C 1.989 178.449 176.600 -0.233 0.000 1.050 260 K CA 1.203 57.360 56.287 -0.217 0.000 0.942 260 K CB 0.137 32.553 32.500 -0.139 0.000 0.724 260 K HN 0.117 nan 8.250 nan 0.000 0.446 261 E N -0.357 119.689 120.200 -0.257 0.000 2.204 261 E HA -0.163 4.186 4.350 -0.001 0.000 0.194 261 E C 1.472 177.921 176.600 -0.253 0.000 0.989 261 E CA 0.909 57.171 56.400 -0.231 0.000 0.824 261 E CB 0.052 29.603 29.700 -0.249 0.000 0.756 261 E HN 0.422 nan 8.360 nan 0.000 0.477 262 A N 0.621 123.152 122.820 -0.482 0.000 1.862 262 A HA 0.026 4.345 4.320 -0.001 0.000 0.211 262 A C 2.094 179.279 177.584 -0.665 0.000 1.220 262 A CA 0.389 51.989 52.037 -0.730 0.000 0.616 262 A CB -0.534 17.530 19.000 -1.560 0.000 0.878 262 A HN 0.237 nan 8.150 nan 0.000 0.453 263 L N -0.182 120.698 121.223 -0.572 0.000 2.083 263 L HA -0.125 4.214 4.340 -0.001 0.000 0.209 263 L C 1.193 177.779 176.870 -0.473 0.000 1.083 263 L CA 1.400 55.976 54.840 -0.439 0.000 0.752 263 L CB -0.434 41.382 42.059 -0.405 0.000 0.899 263 L HN 0.328 nan 8.230 nan 0.000 0.433 264 D N 0.617 120.805 120.400 -0.353 0.000 2.881 264 D HA 0.008 4.647 4.640 -0.001 0.000 0.240 264 D C -0.233 176.009 176.300 -0.095 0.000 1.249 264 D CA 0.050 53.899 54.000 -0.251 0.000 0.839 264 D CB -0.284 40.472 40.800 -0.073 0.000 1.042 264 D HN 0.051 nan 8.370 nan 0.000 0.475 265 N N 0.690 119.331 118.700 -0.098 0.000 2.519 265 N HA -0.005 4.735 4.740 -0.001 0.000 0.286 265 N C 0.718 176.233 175.510 0.009 0.000 1.079 265 N CA -0.410 52.655 53.050 0.024 0.000 0.878 265 N CB 1.726 40.293 38.487 0.133 0.000 1.375 265 N HN -0.050 nan 8.380 nan 0.000 0.514 266 V N 3.289 123.206 119.914 0.005 0.000 2.392 266 V HA -0.193 3.927 4.120 -0.001 0.000 0.249 266 V C 1.306 177.339 176.094 -0.102 0.000 1.059 266 V CA 2.030 64.302 62.300 -0.047 0.000 1.051 266 V CB -0.098 31.702 31.823 -0.039 0.000 0.658 266 V HN 0.610 nan 8.190 nan 0.000 0.455 267 D N -0.808 119.553 120.400 -0.064 0.000 2.144 267 D HA -0.158 4.481 4.640 -0.001 0.000 0.200 267 D C 1.829 178.040 176.300 -0.149 0.000 0.978 267 D CA 1.501 55.432 54.000 -0.115 0.000 0.833 267 D CB -0.234 40.552 40.800 -0.024 0.000 0.961 267 D HN 0.590 nan 8.370 nan 0.000 0.470 268 F N 1.956 121.751 119.950 -0.258 0.000 2.146 268 F HA -0.073 4.454 4.527 -0.001 0.000 0.298 268 F C 2.322 178.007 175.800 -0.193 0.000 1.096 268 F CA 1.173 58.946 58.000 -0.378 0.000 1.275 268 F CB 0.107 38.794 39.000 -0.522 0.000 1.008 268 F HN -0.228 nan 8.300 nan 0.000 0.480 269 R N 0.007 120.485 120.500 -0.037 0.000 2.081 269 R HA -0.123 4.216 4.340 -0.001 0.000 0.235 269 R C 2.319 178.568 176.300 -0.085 0.000 1.131 269 R CA 1.596 57.649 56.100 -0.078 0.000 0.960 269 R CB -0.386 29.854 30.300 -0.099 0.000 0.856 269 R HN 0.305 nan 8.270 nan 0.000 0.436 270 R N 0.184 120.594 120.500 -0.150 0.000 2.092 270 R HA -0.035 4.305 4.340 -0.001 0.000 0.231 270 R C 2.287 178.548 176.300 -0.065 0.000 1.119 270 R CA 1.265 57.284 56.100 -0.135 0.000 0.970 270 R CB -0.246 29.777 30.300 -0.461 0.000 0.864 270 R HN 0.190 nan 8.270 nan 0.000 0.440 271 A N 0.524 123.233 122.820 -0.185 0.000 1.929 271 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 271 A C 1.918 179.378 177.584 -0.207 0.000 1.176 271 A CA 0.812 52.726 52.037 -0.206 0.000 0.628 271 A CB -0.535 18.256 19.000 -0.349 0.000 0.816 271 A HN 0.362 nan 8.150 nan 0.000 0.444 272 F N 0.484 120.155 119.950 -0.464 0.000 2.102 272 F HA -0.160 4.367 4.527 -0.001 0.000 0.298 272 F C 2.737 178.448 175.800 -0.148 0.000 1.105 272 F CA 1.876 59.655 58.000 -0.368 0.000 1.239 272 F CB -0.246 38.547 39.000 -0.345 0.000 0.991 272 F HN 0.241 nan 8.300 nan 0.000 0.474 273 S N 0.435 116.298 115.700 0.273 0.000 2.353 273 S HA -0.261 4.209 4.470 -0.001 0.000 0.222 273 S C 2.049 176.752 174.600 0.171 0.000 1.035 273 S CA 1.877 60.234 58.200 0.263 0.000 1.025 273 S CB -0.391 62.955 63.200 0.243 0.000 0.902 273 S HN 0.479 nan 8.310 nan 0.000 0.440 274 M N 0.737 120.417 119.600 0.132 0.000 2.446 274 M HA -0.035 4.444 4.480 -0.001 0.000 0.263 274 M C 2.183 178.557 176.300 0.123 0.000 1.066 274 M CA 1.060 56.437 55.300 0.129 0.000 1.087 274 M CB -0.372 32.292 32.600 0.107 0.000 1.406 274 M HN 0.480 nan 8.290 nan 0.000 0.459 275 A N 0.535 123.380 122.820 0.042 0.000 2.014 275 A HA 0.102 4.421 4.320 -0.001 0.000 0.218 275 A C 1.110 178.758 177.584 0.106 0.000 1.163 275 A CA 0.378 52.434 52.037 0.032 0.000 0.652 275 A CB -0.429 18.480 19.000 -0.152 0.000 0.808 275 A HN 0.374 nan 8.150 nan 0.000 0.449 276 L N 0.845 122.099 121.223 0.051 0.000 2.416 276 L HA 0.168 4.508 4.340 -0.001 0.000 0.272 276 L C -0.222 176.617 176.870 -0.052 0.000 1.161 276 L CA -0.370 54.474 54.840 0.007 0.000 0.845 276 L CB 0.421 42.536 42.059 0.093 0.000 1.119 276 L HN 0.133 nan 8.230 nan 0.000 0.464 277 D N 2.757 122.959 120.400 -0.329 0.000 2.518 277 D HA 0.164 4.804 4.640 -0.001 0.000 0.230 277 D C 1.204 177.373 176.300 -0.218 0.000 1.138 277 D CA -0.313 53.316 54.000 -0.619 0.000 0.964 277 D CB 0.538 40.711 40.800 -1.045 0.000 1.011 277 D HN 0.371 nan 8.370 nan 0.000 0.517 278 R N 1.205 121.669 120.500 -0.060 0.000 2.096 278 R HA -0.238 4.102 4.340 -0.001 0.000 0.240 278 R C 1.663 177.963 176.300 0.001 0.000 1.139 278 R CA 1.525 57.636 56.100 0.019 0.000 0.952 278 R CB -0.001 30.343 30.300 0.072 0.000 0.854 278 R HN 0.306 nan 8.270 nan 0.000 0.436 279 Q N 0.158 119.948 119.800 -0.017 0.000 2.050 279 Q HA -0.108 4.231 4.340 -0.001 0.000 0.202 279 Q C 1.927 177.919 176.000 -0.014 0.000 0.980 279 Q CA 2.193 57.991 55.803 -0.007 0.000 0.840 279 Q CB -0.383 28.354 28.738 -0.002 0.000 0.898 279 Q HN 0.221 nan 8.270 nan 0.000 0.424 280 T N 0.668 115.184 114.554 -0.063 0.000 2.803 280 T HA -0.114 4.236 4.350 -0.001 0.000 0.269 280 T C 1.705 176.391 174.700 -0.024 0.000 1.052 280 T CA 1.334 63.397 62.100 -0.063 0.000 1.136 280 T CB -0.240 68.553 68.868 -0.125 0.000 0.864 280 T HN 0.259 nan 8.240 nan 0.000 0.467 281 I N 0.364 120.933 120.570 -0.001 0.000 2.226 281 I HA -0.123 4.046 4.170 -0.001 0.000 0.245 281 I C 2.195 178.440 176.117 0.214 0.000 1.100 281 I CA 1.236 62.581 61.300 0.075 0.000 1.374 281 I CB -0.295 37.758 38.000 0.089 0.000 1.057 281 I HN 0.243 nan 8.210 nan 0.000 0.413 282 I N 0.558 121.232 120.570 0.174 0.000 2.179 282 I HA -0.296 3.874 4.170 -0.001 0.000 0.242 282 I C 2.094 178.342 176.117 0.218 0.000 1.088 282 I CA 1.374 62.811 61.300 0.228 0.000 1.357 282 I CB -0.539 37.506 38.000 0.074 0.000 1.051 282 I HN 0.261 nan 8.210 nan 0.000 0.409 283 D N 0.902 121.360 120.400 0.096 0.000 2.117 283 D HA -0.148 4.492 4.640 -0.001 0.000 0.197 283 D C 2.189 178.462 176.300 -0.045 0.000 0.987 283 D CA 1.368 55.392 54.000 0.039 0.000 0.829 283 D CB 0.027 40.829 40.800 0.003 0.000 0.961 283 D HN 0.242 nan 8.370 nan 0.000 0.460 284 I N 1.146 121.678 120.570 -0.063 0.000 2.260 284 I HA -0.055 4.114 4.170 -0.001 0.000 0.237 284 I C 2.573 178.550 176.117 -0.233 0.000 1.075 284 I CA 0.592 61.785 61.300 -0.179 0.000 1.376 284 I CB -1.436 36.492 38.000 -0.120 0.000 1.107 284 I HN -0.133 nan 8.210 nan 0.000 0.420 285 A N 0.072 122.822 122.820 -0.116 0.000 1.969 285 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 285 A C 1.762 179.140 177.584 -0.343 0.000 1.169 285 A CA 1.410 53.279 52.037 -0.281 0.000 0.635 285 A CB -0.709 18.055 19.000 -0.393 0.000 0.810 285 A HN 0.398 nan 8.150 nan 0.000 0.445 286 F N -3.640 116.424 119.950 0.190 0.000 2.661 286 F HA 0.329 4.856 4.527 -0.001 0.000 0.306 286 F C -0.248 175.870 175.800 0.529 0.000 1.094 286 F CA -0.629 57.626 58.000 0.424 0.000 1.254 286 F CB -0.087 39.079 39.000 0.276 0.000 1.040 286 F HN 0.193 nan 8.300 nan 0.000 0.562 287 Y N 0.491 120.962 120.300 0.286 0.000 3.389 287 Y HA -0.158 4.391 4.550 -0.001 0.000 0.213 287 Y C 1.522 177.513 175.900 0.152 0.000 1.272 287 Y CA 0.399 58.605 58.100 0.178 0.000 1.444 287 Y CB -1.708 36.830 38.460 0.130 0.000 1.445 287 Y HN 0.366 nan 8.280 nan 0.000 0.583 288 G N -0.879 108.067 108.800 0.242 0.000 2.159 288 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.256 288 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.256 288 G C 0.212 175.219 174.900 0.178 0.000 0.977 288 G CA 0.371 45.574 45.100 0.171 0.000 0.652 288 G HN 1.044 nan 8.290 nan 0.000 0.531 289 S N 0.299 116.156 115.700 0.261 0.000 2.438 289 S HA 0.747 5.217 4.470 -0.001 0.000 0.293 289 S C 0.506 175.194 174.600 0.146 0.000 1.141 289 S CA 1.120 59.460 58.200 0.234 0.000 1.080 289 S CB 0.851 64.259 63.200 0.347 0.000 0.978 289 S HN 2.257 nan 8.310 nan 0.000 0.479 290 G N 2.831 111.669 108.800 0.064 0.000 2.459 290 G HA2 0.200 4.159 3.960 -0.001 0.000 0.685 290 G HA3 0.200 4.159 3.960 -0.001 0.000 0.685 290 G C -0.551 174.327 174.900 -0.036 0.000 1.303 290 G CA -0.382 44.693 45.100 -0.041 0.000 0.907 290 G HN 1.335 nan 8.290 nan 0.000 0.632 291 T N -2.385 112.135 114.554 -0.057 0.000 2.907 291 T HA 0.741 5.090 4.350 -0.001 0.000 0.292 291 T C 0.233 174.908 174.700 -0.041 0.000 1.043 291 T CA -0.343 61.720 62.100 -0.062 0.000 1.003 291 T CB 1.941 70.744 68.868 -0.108 0.000 1.084 291 T HN 1.477 nan 8.240 nan 0.000 0.483 292 V N 2.360 122.257 119.914 -0.028 0.000 2.788 292 V HA 0.155 4.275 4.120 -0.001 0.000 0.307 292 V C 0.709 176.857 176.094 0.090 0.000 1.069 292 V CA 0.019 62.336 62.300 0.028 0.000 1.173 292 V CB 0.505 32.351 31.823 0.038 0.000 0.925 292 V HN 1.036 nan 8.190 nan 0.000 0.492 293 N N 2.244 121.019 118.700 0.125 0.000 2.623 293 N HA 0.308 5.048 4.740 -0.001 0.000 0.256 293 N C -0.596 175.070 175.510 0.259 0.000 1.045 293 N CA -0.614 52.559 53.050 0.204 0.000 0.863 293 N CB 0.726 39.278 38.487 0.108 0.000 1.182 293 N HN 0.803 nan 8.380 nan 0.000 0.523 294 D N 2.501 123.092 120.400 0.318 0.000 2.525 294 D HA 0.082 4.722 4.640 -0.001 0.000 0.229 294 D C -0.696 175.768 176.300 0.273 0.000 1.202 294 D CA -0.269 53.887 54.000 0.260 0.000 0.828 294 D CB -0.406 40.502 40.800 0.181 0.000 1.008 294 D HN 0.237 nan 8.370 nan 0.000 0.493 295 F N 0.807 120.879 119.950 0.203 0.000 2.391 295 F HA 0.482 5.009 4.527 -0.001 0.000 0.359 295 F C 1.718 177.647 175.800 0.214 0.000 1.122 295 F CA -0.904 57.202 58.000 0.177 0.000 1.120 295 F CB 1.701 40.721 39.000 0.032 0.000 1.142 295 F HN 0.068 nan 8.300 nan 0.000 0.483 296 A N 1.837 124.873 122.820 0.360 0.000 2.024 296 A HA -0.190 4.130 4.320 -0.001 0.000 0.220 296 A C 2.177 179.907 177.584 0.244 0.000 1.164 296 A CA 1.997 54.195 52.037 0.267 0.000 0.643 296 A CB -0.721 18.398 19.000 0.198 0.000 0.806 296 A HN 0.711 nan 8.150 nan 0.000 0.451 297 S N -2.165 113.732 115.700 0.329 0.000 2.562 297 S HA 0.349 4.819 4.470 -0.001 0.000 0.221 297 S C 1.529 176.465 174.600 0.560 0.000 0.975 297 S CA 1.068 59.483 58.200 0.359 0.000 0.918 297 S CB -0.327 63.146 63.200 0.454 0.000 0.772 297 S HN 1.888 nan 8.310 nan 0.000 0.531 298 G N 0.966 110.024 108.800 0.430 0.000 2.184 298 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.264 298 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.264 298 G C 0.547 175.352 174.900 -0.158 0.000 0.975 298 G CA 0.437 45.675 45.100 0.231 0.000 0.642 298 G HN 0.560 nan 8.290 nan 0.000 0.536 299 L N 0.683 121.856 121.223 -0.082 0.000 1.997 299 L HA 0.317 4.656 4.340 -0.001 0.000 0.216 299 L C 1.758 178.223 176.870 -0.674 0.000 1.074 299 L CA 3.435 57.966 54.840 -0.516 0.000 0.763 299 L CB -0.554 41.209 42.059 -0.493 0.000 0.890 299 L HN 2.151 nan 8.230 nan 0.000 0.434 300 G N -3.613 104.650 108.800 -0.894 0.000 2.895 300 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.686 300 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.686 300 G C 0.015 174.507 174.900 -0.681 0.000 1.108 300 G CA 0.023 44.783 45.100 -0.566 0.000 0.761 300 G HN 0.787 nan 8.290 nan 0.000 0.611 301 Y N 0.685 120.832 120.300 -0.255 0.000 2.315 301 Y HA 0.111 4.660 4.550 -0.001 0.000 0.288 301 Y C 2.561 178.408 175.900 -0.088 0.000 1.154 301 Y CA 2.135 60.229 58.100 -0.010 0.000 1.229 301 Y CB -0.709 37.845 38.460 0.157 0.000 0.980 301 Y HN 1.285 nan 8.280 nan 0.000 0.540 302 A N 0.444 122.520 122.820 -1.241 0.000 1.940 302 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 302 A C 1.332 178.570 177.584 -0.577 0.000 1.176 302 A CA 1.452 52.809 52.037 -1.134 0.000 0.631 302 A CB -1.244 17.170 19.000 -0.977 0.000 0.814 302 A HN 0.486 nan 8.150 nan 0.000 0.446 303 F N 0.161 119.907 119.950 -0.340 0.000 2.660 303 F HA 0.209 4.736 4.527 -0.001 0.000 0.297 303 F C 1.595 177.387 175.800 -0.014 0.000 1.132 303 F CA -0.430 57.493 58.000 -0.128 0.000 1.372 303 F CB -0.463 38.360 39.000 -0.295 0.000 1.003 303 F HN 0.455 nan 8.300 nan 0.000 0.524 304 E N 0.992 121.244 120.200 0.087 0.000 2.219 304 E HA -0.259 4.090 4.350 -0.001 0.000 0.198 304 E C 2.316 179.068 176.600 0.252 0.000 0.998 304 E CA 1.165 57.679 56.400 0.191 0.000 0.818 304 E CB 0.114 29.953 29.700 0.231 0.000 0.741 304 E HN 0.373 nan 8.360 nan 0.000 0.477 305 A N -0.009 122.949 122.820 0.229 0.000 2.076 305 A HA -0.166 4.153 4.320 -0.001 0.000 0.220 305 A C 1.279 178.913 177.584 0.083 0.000 1.160 305 A CA 1.208 53.315 52.037 0.116 0.000 0.653 305 A CB -0.782 18.232 19.000 0.023 0.000 0.801 305 A HN 0.508 nan 8.150 nan 0.000 0.455 306 W N -0.317 121.079 121.300 0.161 0.000 3.211 306 W HA 0.334 4.994 4.660 -0.000 0.000 0.292 306 W C 1.230 177.979 176.519 0.382 0.000 1.268 306 W CA 0.375 57.846 57.345 0.210 0.000 1.702 306 W CB -0.015 29.494 29.460 0.082 0.000 1.092 306 W HN 0.189 nan 8.180 nan 0.000 0.643 307 S N 1.112 117.109 115.700 0.496 0.000 2.565 307 S HA 0.104 4.574 4.470 -0.001 0.000 0.274 307 S C -0.468 174.254 174.600 0.204 0.000 1.309 307 S CA -0.518 57.934 58.200 0.420 0.000 1.043 307 S CB 0.731 64.219 63.200 0.480 0.000 0.939 307 S HN 0.043 nan 8.310 nan 0.000 0.504 308 D N 2.957 123.327 120.400 -0.050 0.000 2.456 308 D HA 0.180 4.819 4.640 -0.001 0.000 0.219 308 D C 1.113 177.431 176.300 0.029 0.000 1.126 308 D CA -0.163 53.674 54.000 -0.273 0.000 0.890 308 D CB 0.588 41.077 40.800 -0.519 0.000 1.025 308 D HN 0.731 nan 8.370 nan 0.000 0.511 309 E N 3.042 123.296 120.200 0.089 0.000 2.136 309 E HA -0.350 3.999 4.350 -0.001 0.000 0.202 309 E C 1.632 178.273 176.600 0.068 0.000 1.019 309 E CA 1.483 57.960 56.400 0.129 0.000 0.819 309 E CB 0.086 29.845 29.700 0.099 0.000 0.739 309 E HN 0.641 nan 8.360 nan 0.000 0.458 310 A N -0.000 122.834 122.820 0.023 0.000 1.883 310 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 310 A C 2.385 179.964 177.584 -0.008 0.000 1.186 310 A CA 2.184 54.214 52.037 -0.011 0.000 0.624 310 A CB -0.964 18.029 19.000 -0.011 0.000 0.822 310 A HN 0.347 nan 8.150 nan 0.000 0.444 311 T N -1.508 113.082 114.554 0.060 0.000 2.746 311 T HA -0.157 4.192 4.350 -0.001 0.000 0.267 311 T C 1.827 176.658 174.700 0.218 0.000 1.039 311 T CA 1.455 63.649 62.100 0.156 0.000 1.142 311 T CB -0.502 68.496 68.868 0.218 0.000 0.866 311 T HN 0.746 nan 8.240 nan 0.000 0.444 312 H N 1.140 120.245 119.070 0.058 0.000 2.290 312 H HA -0.084 4.471 4.556 -0.001 0.000 0.298 312 H C 2.565 177.820 175.328 -0.121 0.000 1.087 312 H CA 1.724 57.734 56.048 -0.064 0.000 1.291 312 H CB -0.018 29.624 29.762 -0.200 0.000 1.369 312 H HN 0.229 nan 8.280 nan 0.000 0.492 313 K N 1.008 121.295 120.400 -0.188 0.000 2.103 313 K HA -0.202 4.117 4.320 -0.001 0.000 0.207 313 K C 2.393 178.821 176.600 -0.286 0.000 1.048 313 K CA 1.783 57.895 56.287 -0.291 0.000 0.930 313 K CB -0.091 32.292 32.500 -0.195 0.000 0.716 313 K HN 0.207 nan 8.250 nan 0.000 0.444 314 K N -0.579 119.636 120.400 -0.308 0.000 2.097 314 K HA -0.159 4.160 4.320 -0.001 0.000 0.205 314 K C 1.038 177.255 176.600 -0.640 0.000 1.050 314 K CA 1.450 57.424 56.287 -0.522 0.000 0.938 314 K CB 0.029 32.095 32.500 -0.724 0.000 0.718 314 K HN 0.235 nan 8.250 nan 0.000 0.442 315 Y N 0.019 120.289 120.300 -0.049 0.000 2.444 315 Y HA 0.194 4.743 4.550 -0.001 0.000 0.249 315 Y C 1.754 177.629 175.900 -0.043 0.000 1.134 315 Y CA -0.182 57.932 58.100 0.024 0.000 1.261 315 Y CB 0.236 38.820 38.460 0.208 0.000 1.143 315 Y HN -0.034 nan 8.280 nan 0.000 0.523 316 K N 0.916 121.288 120.400 -0.046 0.000 2.074 316 K HA -0.165 4.155 4.320 -0.001 0.000 0.209 316 K C 2.313 178.856 176.600 -0.096 0.000 1.048 316 K CA 1.662 57.891 56.287 -0.098 0.000 0.926 316 K CB -0.568 31.724 32.500 -0.347 0.000 0.713 316 K HN 0.436 nan 8.250 nan 0.000 0.444 317 G N 0.093 108.745 108.800 -0.245 0.000 2.450 317 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.220 317 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.220 317 G C 1.152 175.969 174.900 -0.138 0.000 1.130 317 G CA 0.689 45.630 45.100 -0.265 0.000 0.760 317 G HN 0.362 nan 8.290 nan 0.000 0.557 318 F N 0.300 120.295 119.950 0.074 0.000 2.802 318 F HA 0.167 4.693 4.527 -0.001 0.000 0.300 318 F C 1.458 177.323 175.800 0.107 0.000 1.168 318 F CA 0.030 58.084 58.000 0.090 0.000 1.433 318 F CB 0.333 39.407 39.000 0.124 0.000 1.115 318 F HN 0.076 nan 8.300 nan 0.000 0.582 319 N N 0.086 118.933 118.700 0.245 0.000 2.497 319 N HA 0.147 4.887 4.740 -0.001 0.000 0.284 319 N C -0.669 174.942 175.510 0.168 0.000 1.459 319 N CA 0.235 53.418 53.050 0.222 0.000 0.899 319 N CB 1.102 39.734 38.487 0.241 0.000 1.316 319 N HN -0.055 nan 8.380 nan 0.000 0.500 320 T N 0.013 114.653 114.554 0.144 0.000 2.916 320 T HA 0.162 4.512 4.350 -0.001 0.000 0.298 320 T C -0.639 174.164 174.700 0.172 0.000 1.031 320 T CA -0.446 61.730 62.100 0.127 0.000 0.993 320 T CB 1.843 70.743 68.868 0.053 0.000 1.045 320 T HN 0.141 nan 8.240 nan 0.000 0.454 321 Y N 3.213 123.534 120.300 0.035 0.000 2.815 321 Y HA 0.093 4.643 4.550 -0.001 0.000 0.346 321 Y C 0.029 175.934 175.900 0.008 0.000 1.267 321 Y CA 0.364 58.476 58.100 0.021 0.000 1.604 321 Y CB 0.194 38.663 38.460 0.016 0.000 1.218 321 Y HN 0.536 nan 8.280 nan 0.000 0.527 322 D N 5.837 126.162 120.400 -0.126 0.000 2.527 322 D HA 0.089 4.728 4.640 -0.001 0.000 0.242 322 D C 0.168 176.351 176.300 -0.194 0.000 1.285 322 D CA -0.306 53.563 54.000 -0.219 0.000 0.886 322 D CB 0.613 41.367 40.800 -0.076 0.000 1.402 322 D HN 0.399 nan 8.370 nan 0.000 0.528 323 V N 2.501 122.220 119.914 -0.326 0.000 2.255 323 V HA -0.206 3.913 4.120 -0.001 0.000 0.247 323 V C 2.281 178.312 176.094 -0.106 0.000 1.051 323 V CA 1.529 63.724 62.300 -0.174 0.000 1.018 323 V CB -0.218 31.496 31.823 -0.181 0.000 0.641 323 V HN 0.484 nan 8.190 nan 0.000 0.445 324 E N 0.669 120.801 120.200 -0.112 0.000 2.058 324 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 324 E C 2.375 178.950 176.600 -0.042 0.000 0.997 324 E CA 1.642 58.002 56.400 -0.068 0.000 0.801 324 E CB -0.946 28.713 29.700 -0.067 0.000 0.746 324 E HN 0.619 nan 8.360 nan 0.000 0.450 325 G N 0.740 109.514 108.800 -0.043 0.000 2.440 325 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.218 325 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.218 325 G C 1.777 176.683 174.900 0.011 0.000 1.154 325 G CA 1.312 46.410 45.100 -0.003 0.000 0.767 325 G HN 0.370 nan 8.290 nan 0.000 0.552 326 S N 0.292 115.985 115.700 -0.012 0.000 2.353 326 S HA -0.120 4.350 4.470 -0.001 0.000 0.222 326 S C 2.358 176.934 174.600 -0.039 0.000 1.035 326 S CA 1.900 60.081 58.200 -0.031 0.000 1.025 326 S CB -0.289 62.881 63.200 -0.050 0.000 0.902 326 S HN 0.453 nan 8.310 nan 0.000 0.440 327 K N 0.599 120.982 120.400 -0.029 0.000 2.097 327 K HA -0.079 4.241 4.320 -0.001 0.000 0.205 327 K C 2.375 178.981 176.600 0.010 0.000 1.050 327 K CA 1.247 57.527 56.287 -0.011 0.000 0.938 327 K CB -0.198 32.295 32.500 -0.013 0.000 0.718 327 K HN 0.350 nan 8.250 nan 0.000 0.442 328 K N 1.438 121.843 120.400 0.010 0.000 2.057 328 K HA -0.077 4.242 4.320 -0.001 0.000 0.207 328 K C 2.104 178.727 176.600 0.040 0.000 1.049 328 K CA 0.778 57.080 56.287 0.025 0.000 0.931 328 K CB -0.015 32.498 32.500 0.021 0.000 0.714 328 K HN 0.066 nan 8.250 nan 0.000 0.440 329 L N 0.868 122.110 121.223 0.032 0.000 2.056 329 L HA -0.175 4.165 4.340 -0.001 0.000 0.207 329 L C 2.167 179.058 176.870 0.035 0.000 1.078 329 L CA 1.101 55.961 54.840 0.032 0.000 0.749 329 L CB -0.176 41.888 42.059 0.009 0.000 0.901 329 L HN 0.305 nan 8.230 nan 0.000 0.433 330 L N -0.616 120.614 121.223 0.012 0.000 2.012 330 L HA -0.234 4.105 4.340 -0.001 0.000 0.210 330 L C 2.818 179.804 176.870 0.194 0.000 1.073 330 L CA 1.331 56.208 54.840 0.061 0.000 0.748 330 L CB -0.726 41.357 42.059 0.039 0.000 0.891 330 L HN 0.301 nan 8.230 nan 0.000 0.431 331 A N -0.057 122.842 122.820 0.131 0.000 1.858 331 A HA -0.270 4.050 4.320 -0.001 0.000 0.216 331 A C 2.384 180.043 177.584 0.125 0.000 1.190 331 A CA 2.033 54.146 52.037 0.127 0.000 0.617 331 A CB -0.518 18.530 19.000 0.080 0.000 0.827 331 A HN 0.314 nan 8.150 nan 0.000 0.443 332 K N -0.373 120.088 120.400 0.102 0.000 2.103 332 K HA -0.099 4.220 4.320 -0.001 0.000 0.207 332 K C 1.847 178.520 176.600 0.121 0.000 1.048 332 K CA 1.208 57.550 56.287 0.092 0.000 0.930 332 K CB -0.284 32.261 32.500 0.075 0.000 0.716 332 K HN 0.394 nan 8.250 nan 0.000 0.444 333 A N -0.111 122.813 122.820 0.173 0.000 2.239 333 A HA 0.128 4.448 4.320 -0.001 0.000 0.209 333 A C 1.341 179.107 177.584 0.303 0.000 1.171 333 A CA 1.054 53.243 52.037 0.254 0.000 0.768 333 A CB -0.432 18.758 19.000 0.317 0.000 0.790 333 A HN 0.583 nan 8.150 nan 0.000 0.478 334 G N -2.343 106.596 108.800 0.231 0.000 2.157 334 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.248 334 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.248 334 G C -0.083 174.883 174.900 0.109 0.000 0.979 334 G CA 0.044 45.219 45.100 0.125 0.000 0.650 334 G HN 0.327 nan 8.290 nan 0.000 0.529 335 F N 2.057 122.074 119.950 0.112 0.000 2.413 335 F HA 0.574 5.100 4.527 -0.001 0.000 0.359 335 F C 0.928 176.808 175.800 0.133 0.000 1.122 335 F CA 0.055 58.151 58.000 0.160 0.000 1.160 335 F CB 0.953 40.107 39.000 0.256 0.000 1.146 335 F HN -0.000 nan 8.300 nan 0.000 0.514 336 K N 1.234 121.763 120.400 0.215 0.000 2.443 336 K HA 0.292 4.612 4.320 -0.001 0.000 0.251 336 K C -1.495 175.181 176.600 0.128 0.000 0.972 336 K CA -1.245 55.132 56.287 0.150 0.000 0.833 336 K CB 2.000 34.554 32.500 0.089 0.000 1.317 336 K HN 0.226 nan 8.250 nan 0.000 0.441 337 D N 1.870 122.326 120.400 0.094 0.000 2.365 337 D HA 0.098 4.738 4.640 -0.001 0.000 0.237 337 D C 0.313 176.640 176.300 0.045 0.000 1.190 337 D CA -0.438 53.603 54.000 0.069 0.000 0.867 337 D CB 0.917 41.735 40.800 0.031 0.000 1.050 337 D HN 0.355 nan 8.370 nan 0.000 0.491 338 V N 1.631 121.573 119.914 0.047 0.000 3.214 338 V HA 0.307 4.427 4.120 -0.001 0.000 0.330 338 V C 0.333 176.442 176.094 0.025 0.000 1.403 338 V CA -0.126 62.192 62.300 0.030 0.000 1.143 338 V CB -0.762 31.077 31.823 0.026 0.000 1.098 338 V HN 0.507 nan 8.190 nan 0.000 0.463 339 N N -0.409 118.307 118.700 0.028 0.000 2.232 339 N HA 0.297 5.036 4.740 -0.001 0.000 0.240 339 N C 1.227 176.747 175.510 0.017 0.000 1.307 339 N CA 0.127 53.191 53.050 0.024 0.000 0.859 339 N CB 0.473 38.979 38.487 0.032 0.000 1.260 339 N HN 0.597 nan 8.380 nan 0.000 0.501 340 G N 1.498 110.302 108.800 0.006 0.000 2.187 340 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.261 340 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.261 340 G C 0.387 175.272 174.900 -0.025 0.000 1.000 340 G CA 0.841 45.933 45.100 -0.012 0.000 0.718 340 G HN 0.680 nan 8.290 nan 0.000 0.519 341 D N -0.779 119.617 120.400 -0.008 0.000 2.339 341 D HA 0.353 4.992 4.640 -0.001 0.000 0.217 341 D C 1.823 178.004 176.300 -0.200 0.000 1.050 341 D CA 0.609 54.605 54.000 -0.008 0.000 0.856 341 D CB -0.563 40.314 40.800 0.130 0.000 0.922 341 D HN 1.498 nan 8.370 nan 0.000 0.518 342 G N -0.689 107.968 108.800 -0.238 0.000 2.176 342 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.253 342 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.253 342 G C -0.181 174.358 174.900 -0.601 0.000 0.979 342 G CA 0.171 45.007 45.100 -0.440 0.000 0.641 342 G HN 0.299 nan 8.290 nan 0.000 0.530 343 F N -0.413 119.519 119.950 -0.031 0.000 2.522 343 F HA 0.687 5.214 4.527 -0.000 0.000 0.324 343 F C 0.616 176.407 175.800 -0.015 0.000 1.077 343 F CA -1.105 56.865 58.000 -0.049 0.000 0.944 343 F CB 1.945 40.875 39.000 -0.116 0.000 1.175 343 F HN 0.070 nan 8.300 nan 0.000 0.468 344 V N 2.871 122.926 119.914 0.235 0.000 2.637 344 V HA 0.278 4.397 4.120 -0.001 0.000 0.296 344 V C -0.240 176.028 176.094 0.289 0.000 1.046 344 V CA 0.015 62.476 62.300 0.269 0.000 1.066 344 V CB 1.004 33.065 31.823 0.398 0.000 0.968 344 V HN 0.769 nan 8.190 nan 0.000 0.483 345 E N 2.875 123.241 120.200 0.276 0.000 2.254 345 E HA 0.474 4.823 4.350 -0.001 0.000 0.261 345 E C 0.246 177.015 176.600 0.282 0.000 1.051 345 E CA -0.015 56.558 56.400 0.290 0.000 0.902 345 E CB 1.125 30.908 29.700 0.137 0.000 1.168 345 E HN 0.959 nan 8.360 nan 0.000 0.423 346 T N -1.903 112.728 114.554 0.129 0.000 2.748 346 T HA 0.128 4.477 4.350 -0.001 0.000 0.304 346 T C -1.810 172.613 174.700 -0.462 0.000 1.041 346 T CA -1.206 60.639 62.100 -0.424 0.000 1.033 346 T CB 0.462 69.101 68.868 -0.383 0.000 0.995 346 T HN 0.124 nan 8.240 nan 0.000 0.536 347 P HA -0.079 nan 4.420 nan 0.000 0.216 347 P C 1.539 178.721 177.300 -0.196 0.000 1.150 347 P CA 1.339 64.219 63.100 -0.367 0.000 0.837 347 P CB -0.131 31.361 31.700 -0.346 0.000 0.786 348 S N -1.918 113.670 115.700 -0.188 0.000 2.701 348 S HA 0.265 4.734 4.470 -0.001 0.000 0.220 348 S C 1.513 176.066 174.600 -0.077 0.000 0.954 348 S CA 0.322 58.456 58.200 -0.111 0.000 0.936 348 S CB -1.383 61.756 63.200 -0.103 0.000 0.777 348 S HN 0.295 nan 8.310 nan 0.000 0.518 349 G N 1.016 109.770 108.800 -0.077 0.000 2.143 349 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.248 349 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.248 349 G C -0.121 174.781 174.900 0.003 0.000 0.991 349 G CA 0.184 45.268 45.100 -0.026 0.000 0.689 349 G HN 0.603 nan 8.290 nan 0.000 0.522 350 K N 0.729 121.128 120.400 -0.001 0.000 2.174 350 K HA 0.532 4.852 4.320 -0.001 0.000 0.275 350 K C 0.341 177.031 176.600 0.150 0.000 1.015 350 K CA -0.294 56.018 56.287 0.041 0.000 0.933 350 K CB 1.167 33.667 32.500 -0.000 0.000 1.025 350 K HN 0.137 nan 8.250 nan 0.000 0.463 351 S N 2.043 117.823 115.700 0.134 0.000 2.610 351 S HA 0.582 5.051 4.470 -0.001 0.000 0.273 351 S C -0.625 174.124 174.600 0.249 0.000 1.274 351 S CA -0.683 57.608 58.200 0.152 0.000 1.023 351 S CB 0.149 63.383 63.200 0.057 0.000 0.962 351 S HN 0.509 nan 8.310 nan 0.000 0.523 352 F N -0.520 119.424 119.950 -0.010 0.000 2.688 352 F HA 0.658 5.185 4.527 -0.001 0.000 0.308 352 F C -1.117 174.652 175.800 -0.053 0.000 1.117 352 F CA -0.967 57.012 58.000 -0.036 0.000 0.976 352 F CB 1.290 40.259 39.000 -0.052 0.000 1.291 352 F HN 0.519 nan 8.300 nan 0.000 0.439 353 E N 3.866 124.049 120.200 -0.029 0.000 2.244 353 E HA 0.489 4.838 4.350 -0.001 0.000 0.260 353 E C -1.733 174.890 176.600 0.038 0.000 0.884 353 E CA -0.741 55.575 56.400 -0.140 0.000 0.777 353 E CB 1.546 31.151 29.700 -0.159 0.000 1.197 353 E HN 0.866 nan 8.360 nan 0.000 0.416 354 L N 5.490 126.769 121.223 0.093 0.000 2.361 354 L HA 0.262 4.601 4.340 -0.001 0.000 0.278 354 L C -0.062 176.864 176.870 0.093 0.000 1.113 354 L CA -0.378 54.552 54.840 0.150 0.000 0.849 354 L CB 0.384 42.598 42.059 0.258 0.000 1.155 354 L HN 0.479 nan 8.230 nan 0.000 0.452 355 L N 5.733 127.009 121.223 0.089 0.000 2.268 355 L HA 0.376 4.716 4.340 -0.001 0.000 0.289 355 L C 0.035 176.991 176.870 0.143 0.000 1.064 355 L CA -0.155 54.738 54.840 0.089 0.000 0.824 355 L CB 0.381 42.484 42.059 0.073 0.000 1.202 355 L HN 0.503 nan 8.230 nan 0.000 0.433 356 I N 3.543 124.209 120.570 0.160 0.000 2.352 356 I HA 0.175 4.345 4.170 -0.001 0.000 0.290 356 I C 0.328 176.590 176.117 0.243 0.000 1.036 356 I CA -0.193 61.251 61.300 0.239 0.000 1.336 356 I CB 0.940 39.094 38.000 0.255 0.000 1.407 356 I HN 0.626 nan 8.210 nan 0.000 0.497 357 Q N 4.750 124.722 119.800 0.288 0.000 2.243 357 Q HA 0.490 4.830 4.340 -0.001 0.000 0.252 357 Q C -0.621 175.608 176.000 0.382 0.000 0.909 357 Q CA -0.364 55.611 55.803 0.288 0.000 0.922 357 Q CB 1.907 30.784 28.738 0.232 0.000 1.215 357 Q HN 0.821 nan 8.270 nan 0.000 0.427 358 S N 2.546 118.403 115.700 0.263 0.000 2.563 358 S HA 0.478 4.947 4.470 -0.001 0.000 0.279 358 S C -2.941 171.495 174.600 -0.273 0.000 1.155 358 S CA -1.385 56.861 58.200 0.076 0.000 0.928 358 S CB 1.855 65.179 63.200 0.208 0.000 1.107 358 S HN 0.350 nan 8.310 nan 0.000 0.462 359 P HA 0.080 nan 4.420 nan 0.000 0.264 359 P C -0.394 176.598 177.300 -0.513 0.000 1.183 359 P CA -0.015 62.502 63.100 -0.972 0.000 0.763 359 P CB 0.114 30.624 31.700 -1.983 0.000 0.807 360 N N 2.002 120.550 118.700 -0.255 0.000 2.454 360 N HA 0.225 4.964 4.740 -0.001 0.000 0.260 360 N C 1.518 177.050 175.510 0.037 0.000 1.218 360 N CA 1.788 54.796 53.050 -0.070 0.000 0.904 360 N CB -0.269 38.202 38.487 -0.027 0.000 1.065 360 N HN 0.723 nan 8.380 nan 0.000 0.462 361 G N 2.266 111.127 108.800 0.101 0.000 2.279 361 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.223 361 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.223 361 G C -0.280 174.818 174.900 0.330 0.000 1.015 361 G CA 0.000 45.208 45.100 0.179 0.000 0.621 361 G HN 0.547 nan 8.290 nan 0.000 0.506 362 W N 3.640 124.910 121.300 -0.049 0.000 1.438 362 W HA 0.486 5.145 4.660 -0.002 0.000 0.455 362 W C 1.908 178.343 176.519 -0.140 0.000 0.656 362 W CA -0.025 57.236 57.345 -0.139 0.000 2.049 362 W CB -1.041 28.234 29.460 -0.308 0.000 1.683 362 W HN 0.414 nan 8.180 nan 0.000 0.228 363 T N -2.236 112.364 114.554 0.077 0.000 2.721 363 T HA -0.370 3.979 4.350 -0.001 0.000 0.268 363 T C 1.426 175.972 174.700 -0.258 0.000 1.038 363 T CA 2.098 64.177 62.100 -0.036 0.000 1.145 363 T CB -0.150 68.737 68.868 0.031 0.000 0.858 363 T HN 0.323 nan 8.240 nan 0.000 0.459 364 D N 0.823 120.850 120.400 -0.622 0.000 2.144 364 D HA -0.123 4.517 4.640 -0.001 0.000 0.199 364 D C 1.988 178.089 176.300 -0.332 0.000 0.984 364 D CA 0.975 54.369 54.000 -1.010 0.000 0.834 364 D CB -1.054 38.788 40.800 -1.597 0.000 0.955 364 D HN 0.596 nan 8.370 nan 0.000 0.465 365 F N 0.967 120.797 119.950 -0.200 0.000 2.187 365 F HA -0.064 4.462 4.527 -0.001 0.000 0.295 365 F C 2.291 178.045 175.800 -0.076 0.000 1.091 365 F CA 0.341 58.346 58.000 0.009 0.000 1.308 365 F CB -0.074 39.095 39.000 0.281 0.000 1.030 365 F HN -0.122 nan 8.300 nan 0.000 0.487 366 N N 0.743 119.528 118.700 0.142 0.000 2.104 366 N HA -0.188 4.551 4.740 -0.001 0.000 0.190 366 N C 1.295 176.800 175.510 -0.008 0.000 1.024 366 N CA 1.190 54.275 53.050 0.059 0.000 0.853 366 N CB -0.824 37.686 38.487 0.039 0.000 1.008 366 N HN 0.292 nan 8.380 nan 0.000 0.424 367 N N 0.416 119.070 118.700 -0.077 0.000 2.188 367 N HA -0.057 4.683 4.740 -0.001 0.000 0.184 367 N C 1.572 177.015 175.510 -0.111 0.000 1.018 367 N CA 1.025 54.013 53.050 -0.103 0.000 0.858 367 N CB -0.564 37.828 38.487 -0.159 0.000 0.989 367 N HN 0.269 nan 8.380 nan 0.000 0.426 368 T N 1.273 115.725 114.554 -0.170 0.000 2.708 368 T HA -0.054 4.296 4.350 -0.001 0.000 0.266 368 T C 2.232 176.889 174.700 -0.071 0.000 1.037 368 T CA 0.845 62.830 62.100 -0.191 0.000 1.146 368 T CB -0.322 68.257 68.868 -0.481 0.000 0.865 368 T HN -0.037 nan 8.240 nan 0.000 0.435 369 V N 1.567 121.467 119.914 -0.023 0.000 2.255 369 V HA -0.213 3.906 4.120 -0.001 0.000 0.247 369 V C 2.691 178.824 176.094 0.065 0.000 1.051 369 V CA 1.904 64.284 62.300 0.135 0.000 1.018 369 V CB -0.730 31.190 31.823 0.162 0.000 0.641 369 V HN 0.352 nan 8.190 nan 0.000 0.445 370 Q N 0.033 119.847 119.800 0.023 0.000 2.096 370 Q HA -0.173 4.166 4.340 -0.001 0.000 0.204 370 Q C 2.006 177.998 176.000 -0.014 0.000 0.982 370 Q CA 1.900 57.705 55.803 0.003 0.000 0.850 370 Q CB -0.603 28.132 28.738 -0.004 0.000 0.901 370 Q HN 0.634 nan 8.270 nan 0.000 0.422 371 L N -0.474 120.735 121.223 -0.023 0.000 2.046 371 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 371 L C 2.335 179.178 176.870 -0.044 0.000 1.077 371 L CA 1.137 55.956 54.840 -0.036 0.000 0.747 371 L CB -0.747 41.287 42.059 -0.042 0.000 0.896 371 L HN 0.305 nan 8.230 nan 0.000 0.432 372 A N -0.502 122.303 122.820 -0.024 0.000 1.930 372 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 372 A C 2.324 179.806 177.584 -0.170 0.000 1.175 372 A CA 1.465 53.441 52.037 -0.101 0.000 0.627 372 A CB -0.705 18.250 19.000 -0.076 0.000 0.815 372 A HN 0.188 nan 8.150 nan 0.000 0.443 373 V N 0.435 120.291 119.914 -0.097 0.000 2.343 373 V HA -0.291 3.829 4.120 -0.001 0.000 0.247 373 V C 2.401 178.457 176.094 -0.063 0.000 1.051 373 V CA 2.365 64.614 62.300 -0.086 0.000 1.036 373 V CB -0.877 30.925 31.823 -0.036 0.000 0.654 373 V HN 0.670 nan 8.190 nan 0.000 0.451 374 E N -0.340 119.835 120.200 -0.043 0.000 2.106 374 E HA -0.258 4.092 4.350 -0.001 0.000 0.192 374 E C 2.271 178.854 176.600 -0.028 0.000 0.984 374 E CA 1.222 57.610 56.400 -0.019 0.000 0.806 374 E CB -0.174 29.515 29.700 -0.018 0.000 0.750 374 E HN 0.678 nan 8.360 nan 0.000 0.458 375 Q N 0.407 120.168 119.800 -0.065 0.000 2.123 375 Q HA -0.066 4.274 4.340 -0.001 0.000 0.199 375 Q C 2.286 178.235 176.000 -0.084 0.000 0.966 375 Q CA 0.767 56.533 55.803 -0.063 0.000 0.845 375 Q CB 0.031 28.709 28.738 -0.101 0.000 0.907 375 Q HN 0.290 nan 8.270 nan 0.000 0.439 376 L N 0.412 121.540 121.223 -0.159 0.000 2.093 376 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 376 L C 2.617 179.470 176.870 -0.028 0.000 1.085 376 L CA 1.127 55.853 54.840 -0.190 0.000 0.755 376 L CB -0.335 41.539 42.059 -0.309 0.000 0.904 376 L HN 0.300 nan 8.230 nan 0.000 0.435 377 Q N 0.240 120.067 119.800 0.046 0.000 2.135 377 Q HA -0.279 4.060 4.340 -0.001 0.000 0.204 377 Q C 1.986 178.023 176.000 0.062 0.000 0.981 377 Q CA 1.645 57.559 55.803 0.185 0.000 0.856 377 Q CB 0.110 28.963 28.738 0.192 0.000 0.902 377 Q HN 0.292 nan 8.270 nan 0.000 0.425 378 E N -0.417 119.794 120.200 0.018 0.000 2.153 378 E HA -0.137 4.213 4.350 -0.001 0.000 0.194 378 E C 1.652 178.244 176.600 -0.014 0.000 0.988 378 E CA 1.364 57.763 56.400 -0.002 0.000 0.811 378 E CB 0.132 29.844 29.700 0.019 0.000 0.746 378 E HN 0.468 nan 8.360 nan 0.000 0.466 379 V N -4.014 115.892 119.914 -0.013 0.000 3.596 379 V HA 0.441 4.560 4.120 -0.001 0.000 0.289 379 V C 1.282 177.382 176.094 0.009 0.000 1.336 379 V CA 0.527 62.814 62.300 -0.023 0.000 1.137 379 V CB -0.137 31.650 31.823 -0.060 0.000 0.966 379 V HN 0.230 nan 8.190 nan 0.000 0.428 380 G N 0.850 109.675 108.800 0.042 0.000 2.141 380 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.242 380 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.242 380 G C -0.072 174.996 174.900 0.281 0.000 0.982 380 G CA 0.260 45.423 45.100 0.106 0.000 0.662 380 G HN 0.594 nan 8.290 nan 0.000 0.527 381 I N 1.062 121.757 120.570 0.208 0.000 2.325 381 I HA 0.260 4.429 4.170 -0.001 0.000 0.291 381 I C 0.750 176.894 176.117 0.045 0.000 1.019 381 I CA -0.532 60.870 61.300 0.169 0.000 1.302 381 I CB 1.345 39.403 38.000 0.097 0.000 1.401 381 I HN 0.027 nan 8.210 nan 0.000 0.485 382 K N 6.183 126.415 120.400 -0.281 0.000 2.312 382 K HA 0.636 4.955 4.320 -0.001 0.000 0.287 382 K C -0.737 175.626 176.600 -0.394 0.000 1.062 382 K CA -0.133 55.666 56.287 -0.814 0.000 0.934 382 K CB 0.765 32.545 32.500 -1.199 0.000 1.027 382 K HN 0.774 nan 8.250 nan 0.000 0.478 383 A N 4.079 126.717 122.820 -0.302 0.000 2.594 383 A HA 0.601 4.920 4.320 -0.001 0.000 0.291 383 A C -1.596 175.923 177.584 -0.107 0.000 1.105 383 A CA -0.833 51.132 52.037 -0.120 0.000 0.694 383 A CB 1.716 20.696 19.000 -0.033 0.000 1.291 383 A HN 0.653 nan 8.150 nan 0.000 0.410 384 K N 0.595 120.973 120.400 -0.036 0.000 2.535 384 K HA 0.645 4.965 4.320 -0.001 0.000 0.251 384 K C -0.763 175.854 176.600 0.029 0.000 0.942 384 K CA -0.400 55.876 56.287 -0.018 0.000 0.798 384 K CB 2.063 34.546 32.500 -0.028 0.000 1.267 384 K HN 1.237 nan 8.250 nan 0.000 0.434 385 A N 4.004 126.844 122.820 0.033 0.000 2.409 385 A HA 0.452 4.772 4.320 -0.001 0.000 0.262 385 A C -0.443 177.176 177.584 0.058 0.000 1.113 385 A CA -0.237 51.836 52.037 0.061 0.000 0.790 385 A CB 0.347 19.377 19.000 0.050 0.000 1.046 385 A HN 0.595 nan 8.150 nan 0.000 0.496 386 R N 1.248 121.796 120.500 0.080 0.000 2.686 386 R HA 0.554 4.894 4.340 -0.001 0.000 0.286 386 R C -0.543 175.799 176.300 0.069 0.000 0.969 386 R CA -0.127 56.014 56.100 0.068 0.000 0.898 386 R CB 1.776 32.123 30.300 0.077 0.000 1.183 386 R HN 0.818 nan 8.270 nan 0.000 0.456 387 T N -0.988 113.590 114.554 0.039 0.000 3.532 387 T HA 0.327 4.677 4.350 -0.001 0.000 0.241 387 T C -2.078 172.615 174.700 -0.011 0.000 1.238 387 T CA -1.490 60.616 62.100 0.010 0.000 1.405 387 T CB 0.664 69.534 68.868 0.003 0.000 0.971 387 T HN 0.256 nan 8.240 nan 0.000 0.640 388 P HA 0.209 nan 4.420 nan 0.000 0.270 388 P C 0.067 177.342 177.300 -0.042 0.000 1.223 388 P CA -0.130 62.969 63.100 -0.000 0.000 0.785 388 P CB 0.844 32.559 31.700 0.025 0.000 0.923 389 E N 0.624 120.812 120.200 -0.020 0.000 2.438 389 E HA -0.074 4.275 4.350 -0.001 0.000 0.261 389 E C 0.959 177.540 176.600 -0.033 0.000 1.103 389 E CA 0.001 56.396 56.400 -0.009 0.000 0.959 389 E CB -0.055 29.668 29.700 0.038 0.000 0.958 389 E HN 0.448 nan 8.360 nan 0.000 0.447 390 F N 2.379 122.226 119.950 -0.173 0.000 2.065 390 F HA -0.305 4.220 4.527 -0.002 0.000 0.298 390 F C 2.038 177.829 175.800 -0.016 0.000 1.112 390 F CA 2.313 60.189 58.000 -0.206 0.000 1.212 390 F CB -0.456 38.453 39.000 -0.151 0.000 0.975 390 F HN 0.552 nan 8.300 nan 0.000 0.476 391 A N -0.076 122.728 122.820 -0.027 0.000 1.903 391 A HA -0.217 4.103 4.320 -0.001 0.000 0.219 391 A C 2.350 179.834 177.584 -0.166 0.000 1.191 391 A CA 2.559 54.540 52.037 -0.093 0.000 0.638 391 A CB -1.500 17.529 19.000 0.047 0.000 0.823 391 A HN 0.317 nan 8.150 nan 0.000 0.451 392 V N -1.380 118.478 119.914 -0.093 0.000 2.307 392 V HA -0.282 3.837 4.120 -0.001 0.000 0.245 392 V C 2.368 178.392 176.094 -0.118 0.000 1.045 392 V CA 2.105 64.359 62.300 -0.077 0.000 1.024 392 V CB -1.158 30.649 31.823 -0.028 0.000 0.651 392 V HN 0.735 nan 8.190 nan 0.000 0.449 393 Y N 2.047 122.166 120.300 -0.302 0.000 2.114 393 Y HA -0.354 4.195 4.550 -0.002 0.000 0.282 393 Y C 2.483 178.101 175.900 -0.471 0.000 1.165 393 Y CA 2.509 60.393 58.100 -0.359 0.000 1.148 393 Y CB -0.514 37.696 38.460 -0.417 0.000 0.972 393 Y HN 0.381 nan 8.280 nan 0.000 0.504 394 N N -0.113 118.261 118.700 -0.543 0.000 2.142 394 N HA -0.229 4.511 4.740 -0.001 0.000 0.186 394 N C 2.048 177.304 175.510 -0.423 0.000 1.023 394 N CA 1.665 54.323 53.050 -0.653 0.000 0.852 394 N CB -0.453 37.538 38.487 -0.827 0.000 0.998 394 N HN 0.643 nan 8.380 nan 0.000 0.424 395 Q N -0.318 119.307 119.800 -0.291 0.000 2.050 395 Q HA -0.101 4.239 4.340 -0.001 0.000 0.202 395 Q C 1.861 177.776 176.000 -0.141 0.000 0.980 395 Q CA 1.616 57.317 55.803 -0.170 0.000 0.840 395 Q CB -0.318 28.355 28.738 -0.108 0.000 0.898 395 Q HN 0.492 nan 8.270 nan 0.000 0.424 396 A N 0.337 123.065 122.820 -0.152 0.000 2.084 396 A HA -0.203 4.116 4.320 -0.001 0.000 0.221 396 A C 1.913 179.476 177.584 -0.035 0.000 1.161 396 A CA 1.651 53.647 52.037 -0.069 0.000 0.653 396 A CB -0.419 18.550 19.000 -0.052 0.000 0.802 396 A HN 0.475 nan 8.150 nan 0.000 0.457 397 M N -1.810 117.635 119.600 -0.257 0.000 2.299 397 M HA 0.058 4.538 4.480 -0.001 0.000 0.264 397 M C 1.709 178.009 176.300 -0.000 0.000 1.095 397 M CA 0.716 55.845 55.300 -0.286 0.000 1.165 397 M CB -0.216 31.958 32.600 -0.710 0.000 1.349 397 M HN 0.298 nan 8.290 nan 0.000 0.446 398 L N 0.557 121.736 121.223 -0.073 0.000 2.191 398 L HA -0.149 4.191 4.340 -0.001 0.000 0.212 398 L C 1.752 178.693 176.870 0.118 0.000 1.103 398 L CA 1.752 56.603 54.840 0.018 0.000 0.769 398 L CB -0.581 41.453 42.059 -0.041 0.000 0.908 398 L HN 0.303 nan 8.230 nan 0.000 0.438 399 E N -1.199 119.045 120.200 0.074 0.000 2.481 399 E HA 0.202 4.552 4.350 -0.001 0.000 0.198 399 E C 1.116 177.726 176.600 0.017 0.000 1.027 399 E CA 0.423 56.846 56.400 0.038 0.000 0.900 399 E CB 0.203 29.904 29.700 0.001 0.000 0.993 399 E HN 0.384 nan 8.360 nan 0.000 0.482 400 G N 2.404 111.298 108.800 0.157 0.000 2.305 400 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.287 400 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.287 400 G C 0.830 175.747 174.900 0.028 0.000 1.036 400 G CA 0.951 46.119 45.100 0.114 0.000 0.887 400 G HN 0.403 nan 8.290 nan 0.000 0.505 401 T N -3.150 111.468 114.554 0.106 0.000 3.023 401 T HA 0.393 4.742 4.350 -0.001 0.000 0.253 401 T C 1.143 175.882 174.700 0.065 0.000 1.038 401 T CA 0.643 62.764 62.100 0.035 0.000 0.962 401 T CB 0.116 68.998 68.868 0.022 0.000 1.018 401 T HN 1.171 nan 8.240 nan 0.000 0.521 402 Y N 1.295 121.580 120.300 -0.025 0.000 2.260 402 Y HA 0.612 5.161 4.550 -0.001 0.000 0.339 402 Y C 0.468 176.370 175.900 0.004 0.000 1.317 402 Y CA -1.085 57.003 58.100 -0.020 0.000 1.514 402 Y CB 0.184 38.612 38.460 -0.054 0.000 1.382 402 Y HN -0.229 nan 8.280 nan 0.000 0.581 403 D N -0.004 120.348 120.400 -0.080 0.000 3.012 403 D HA 0.216 4.856 4.640 -0.001 0.000 0.284 403 D C -0.618 175.591 176.300 -0.151 0.000 1.259 403 D CA 0.821 54.717 54.000 -0.173 0.000 1.036 403 D CB 0.170 40.970 40.800 0.000 0.000 1.167 403 D HN 0.347 nan 8.370 nan 0.000 0.429 404 V N 0.163 120.187 119.914 0.184 0.000 2.841 404 V HA 0.802 4.921 4.120 -0.001 0.000 0.310 404 V C -1.046 175.325 176.094 0.461 0.000 1.090 404 V CA -1.044 61.439 62.300 0.305 0.000 0.930 404 V CB 2.008 33.951 31.823 0.201 0.000 1.014 404 V HN 0.289 nan 8.190 nan 0.000 0.425 405 A N 3.047 126.142 122.820 0.459 0.000 2.422 405 A HA 0.779 5.099 4.320 -0.001 0.000 0.302 405 A C -1.700 176.092 177.584 0.347 0.000 1.041 405 A CA -0.521 51.702 52.037 0.310 0.000 0.708 405 A CB 1.281 20.209 19.000 -0.120 0.000 1.257 405 A HN 0.912 nan 8.150 nan 0.000 0.414 406 Y N 1.375 121.791 120.300 0.193 0.000 2.308 406 Y HA 0.633 5.182 4.550 -0.001 0.000 0.329 406 Y C 0.521 176.348 175.900 -0.121 0.000 1.111 406 Y CA 0.870 58.862 58.100 -0.181 0.000 1.179 406 Y CB 1.437 39.633 38.460 -0.440 0.000 1.201 406 Y HN 0.862 nan 8.280 nan 0.000 0.483 407 T N 4.606 118.706 114.554 -0.757 0.000 2.769 407 T HA 0.349 4.699 4.350 -0.001 0.000 0.306 407 T C -1.499 172.854 174.700 -0.578 0.000 1.400 407 T CA -0.958 60.907 62.100 -0.391 0.000 1.007 407 T CB 0.708 69.489 68.868 -0.145 0.000 1.392 407 T HN 0.849 nan 8.240 nan 0.000 0.500 408 N N 0.306 118.926 118.700 -0.133 0.000 2.592 408 N HA 0.626 5.365 4.740 -0.001 0.000 0.292 408 N C -1.494 173.894 175.510 -0.203 0.000 1.260 408 N CA -0.491 52.503 53.050 -0.093 0.000 0.910 408 N CB 0.477 39.046 38.487 0.136 0.000 1.257 408 N HN 0.673 nan 8.380 nan 0.000 0.569 409 Y N -2.280 117.957 120.300 -0.106 0.000 2.669 409 Y HA 0.509 5.058 4.550 -0.000 0.000 0.335 409 Y C -0.435 175.221 175.900 -0.408 0.000 1.116 409 Y CA -1.051 56.846 58.100 -0.338 0.000 1.081 409 Y CB 1.106 39.520 38.460 -0.077 0.000 1.297 409 Y HN 0.287 nan 8.280 nan 0.000 0.484 410 F N 0.151 120.011 119.950 -0.149 0.000 2.378 410 F HA 0.337 4.863 4.527 -0.001 0.000 0.319 410 F C 0.035 175.984 175.800 0.248 0.000 1.155 410 F CA 0.116 58.199 58.000 0.138 0.000 1.157 410 F CB 0.572 39.629 39.000 0.095 0.000 1.252 410 F HN 0.423 nan 8.300 nan 0.000 0.550 411 H N -0.180 119.177 119.070 0.478 0.000 2.759 411 H HA 0.579 5.135 4.556 -0.001 0.000 0.354 411 H C -0.274 175.290 175.328 0.393 0.000 1.074 411 H CA -0.528 55.717 56.048 0.328 0.000 1.226 411 H CB 1.170 31.027 29.762 0.157 0.000 1.648 411 H HN 0.650 nan 8.280 nan 0.000 0.529 412 G N 1.210 109.914 108.800 -0.160 0.000 2.938 412 G HA2 0.481 4.440 3.960 -0.001 0.000 0.258 412 G HA3 0.481 4.440 3.960 -0.001 0.000 0.258 412 G C 0.368 175.159 174.900 -0.182 0.000 1.356 412 G CA -0.345 44.683 45.100 -0.119 0.000 1.052 412 G HN 0.757 nan 8.290 nan 0.000 0.550 413 A N -1.150 121.639 122.820 -0.052 0.000 2.167 413 A HA 0.329 4.649 4.320 -0.001 0.000 0.214 413 A C 0.697 178.325 177.584 0.073 0.000 1.151 413 A CA 1.727 53.808 52.037 0.073 0.000 0.735 413 A CB -0.561 18.494 19.000 0.091 0.000 0.802 413 A HN 0.751 nan 8.150 nan 0.000 0.467 414 D N -3.774 116.440 120.400 -0.311 0.000 2.626 414 D HA 0.365 5.005 4.640 -0.001 0.000 0.278 414 D C -2.611 172.784 176.300 -1.509 0.000 1.211 414 D CA -1.450 51.894 54.000 -1.094 0.000 0.903 414 D CB 0.473 40.786 40.800 -0.812 0.000 1.408 414 D HN -0.164 nan 8.370 nan 0.000 0.454 415 P HA -0.047 nan 4.420 nan 0.000 0.234 415 P C 1.111 177.893 177.300 -0.863 0.000 1.167 415 P CA 0.386 62.613 63.100 -1.456 0.000 0.763 415 P CB -0.013 30.583 31.700 -1.839 0.000 0.835 416 F N 1.992 121.406 119.950 -0.893 0.000 2.069 416 F HA -0.208 4.319 4.527 -0.001 0.000 0.298 416 F C 2.137 177.750 175.800 -0.312 0.000 1.113 416 F CA 2.135 59.746 58.000 -0.648 0.000 1.214 416 F CB -1.121 37.410 39.000 -0.782 0.000 0.978 416 F HN -0.118 nan 8.300 nan 0.000 0.474 417 T N -0.323 114.133 114.554 -0.165 0.000 2.665 417 T HA -0.316 4.034 4.350 -0.001 0.000 0.268 417 T C 1.525 176.138 174.700 -0.145 0.000 1.035 417 T CA 2.000 64.044 62.100 -0.093 0.000 1.151 417 T CB -0.875 68.001 68.868 0.013 0.000 0.862 417 T HN 0.534 nan 8.240 nan 0.000 0.438 418 Y N 0.398 120.537 120.300 -0.268 0.000 2.089 418 Y HA -0.141 4.409 4.550 -0.001 0.000 0.282 418 Y C 2.194 177.990 175.900 -0.173 0.000 1.139 418 Y CA 1.079 59.015 58.100 -0.272 0.000 1.123 418 Y CB -0.579 37.658 38.460 -0.372 0.000 0.980 418 Y HN 0.186 nan 8.280 nan 0.000 0.493 419 W N 0.854 121.794 121.300 -0.600 0.000 2.358 419 W HA -0.191 4.468 4.660 -0.001 0.000 0.303 419 W C 2.496 178.759 176.519 -0.427 0.000 1.208 419 W CA 1.709 58.726 57.345 -0.548 0.000 1.274 419 W CB -1.504 27.675 29.460 -0.467 0.000 1.138 419 W HN 0.286 nan 8.180 nan 0.000 0.515 420 N N 0.395 118.806 118.700 -0.481 0.000 2.080 420 N HA -0.181 4.558 4.740 -0.001 0.000 0.189 420 N C 2.026 177.415 175.510 -0.201 0.000 1.036 420 N CA 2.780 55.528 53.050 -0.503 0.000 0.846 420 N CB -0.583 37.219 38.487 -1.141 0.000 1.015 420 N HN -0.034 nan 8.380 nan 0.000 0.423 421 S N -1.676 113.919 115.700 -0.175 0.000 2.402 421 S HA 0.013 4.483 4.470 -0.001 0.000 0.229 421 S C 1.943 176.555 174.600 0.020 0.000 1.021 421 S CA 1.044 59.238 58.200 -0.009 0.000 0.974 421 S CB -0.807 62.414 63.200 0.035 0.000 0.800 421 S HN 0.377 nan 8.310 nan 0.000 0.484 422 G N -1.434 107.274 108.800 -0.153 0.000 3.042 422 G HA2 0.366 4.325 3.960 -0.001 0.000 0.212 422 G HA3 0.366 4.325 3.960 -0.001 0.000 0.212 422 G C 0.449 174.979 174.900 -0.616 0.000 1.166 422 G CA 0.020 44.930 45.100 -0.318 0.000 0.767 422 G HN 0.615 nan 8.290 nan 0.000 0.546 423 Y N -1.701 118.592 120.300 -0.011 0.000 2.532 423 Y HA 0.292 4.842 4.550 -0.000 0.000 0.282 423 Y C 0.766 176.677 175.900 0.018 0.000 1.013 423 Y CA -1.218 56.932 58.100 0.084 0.000 1.159 423 Y CB 0.194 38.657 38.460 0.006 0.000 1.393 423 Y HN 0.006 nan 8.280 nan 0.000 0.580 424 N N 1.940 120.696 118.700 0.093 0.000 2.427 424 N HA -0.041 4.698 4.740 -0.001 0.000 0.269 424 N C 1.248 176.777 175.510 0.032 0.000 1.235 424 N CA 0.941 54.031 53.050 0.067 0.000 0.934 424 N CB 1.126 39.658 38.487 0.075 0.000 1.121 424 N HN 0.369 nan 8.380 nan 0.000 0.480 425 S N 2.939 118.653 115.700 0.023 0.000 2.465 425 S HA -0.177 4.292 4.470 -0.001 0.000 0.241 425 S C 1.792 176.391 174.600 -0.002 0.000 1.000 425 S CA 0.933 59.124 58.200 -0.015 0.000 0.964 425 S CB -0.134 63.049 63.200 -0.028 0.000 0.763 425 S HN 0.576 nan 8.310 nan 0.000 0.512 426 A N 1.056 123.895 122.820 0.031 0.000 2.015 426 A HA 0.222 4.541 4.320 -0.001 0.000 0.219 426 A C 1.759 179.371 177.584 0.047 0.000 1.163 426 A CA 0.912 52.976 52.037 0.046 0.000 0.646 426 A CB -0.462 18.592 19.000 0.089 0.000 0.806 426 A HN 0.496 nan 8.150 nan 0.000 0.448 427 L N -0.281 120.965 121.223 0.037 0.000 2.629 427 L HA 0.150 4.489 4.340 -0.001 0.000 0.230 427 L C 1.740 178.588 176.870 -0.036 0.000 1.151 427 L CA 0.882 55.738 54.840 0.025 0.000 0.924 427 L CB -0.544 41.541 42.059 0.044 0.000 1.137 427 L HN 0.453 nan 8.230 nan 0.000 0.457 428 Q N -1.945 117.821 119.800 -0.056 0.000 2.356 428 Q HA 0.214 4.554 4.340 -0.001 0.000 0.205 428 Q C 0.237 176.247 176.000 0.017 0.000 0.901 428 Q CA 0.063 55.802 55.803 -0.107 0.000 0.938 428 Q CB 0.734 29.372 28.738 -0.167 0.000 1.081 428 Q HN 0.295 nan 8.270 nan 0.000 0.517 429 S N -0.660 115.058 115.700 0.030 0.000 2.600 429 S HA 0.761 5.230 4.470 -0.001 0.000 0.300 429 S C -0.367 174.252 174.600 0.032 0.000 1.087 429 S CA -0.273 57.956 58.200 0.049 0.000 0.965 429 S CB 1.977 65.204 63.200 0.043 0.000 1.089 429 S HN 0.388 nan 8.310 nan 0.000 0.496 430 G N 2.137 110.955 108.800 0.029 0.000 3.209 430 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.686 430 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.686 430 G C -1.518 173.394 174.900 0.020 0.000 1.065 430 G CA -1.051 44.062 45.100 0.021 0.000 0.812 430 G HN 0.575 nan 8.290 nan 0.000 0.573 431 D N 0.618 121.028 120.400 0.016 0.000 2.372 431 D HA 0.525 5.164 4.640 -0.001 0.000 0.243 431 D C 1.473 177.785 176.300 0.021 0.000 1.121 431 D CA 1.491 55.500 54.000 0.016 0.000 0.898 431 D CB 1.272 42.081 40.800 0.015 0.000 1.202 431 D HN 1.853 nan 8.370 nan 0.000 0.428 432 G N 0.779 109.594 108.800 0.026 0.000 2.195 432 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.224 432 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.224 432 G C 0.336 175.261 174.900 0.042 0.000 0.990 432 G CA -0.213 44.911 45.100 0.041 0.000 0.639 432 G HN 0.433 nan 8.290 nan 0.000 0.514 433 M N 2.371 121.987 119.600 0.027 0.000 2.314 433 M HA 0.391 4.870 4.480 -0.001 0.000 0.342 433 M C -1.426 174.875 176.300 0.002 0.000 1.171 433 M CA -1.773 53.545 55.300 0.030 0.000 1.098 433 M CB 1.120 33.735 32.600 0.025 0.000 1.559 433 M HN 0.060 nan 8.290 nan 0.000 0.459 434 P HA 0.058 nan 4.420 nan 0.000 0.275 434 P C -0.362 176.793 177.300 -0.241 0.000 1.270 434 P CA -0.038 63.013 63.100 -0.082 0.000 0.791 434 P CB 0.359 32.090 31.700 0.052 0.000 1.089 435 R N -1.130 119.060 120.500 -0.516 0.000 2.161 435 R HA -0.009 4.331 4.340 -0.001 0.000 0.213 435 R C 1.964 177.994 176.300 -0.450 0.000 1.055 435 R CA 0.844 56.627 56.100 -0.528 0.000 0.996 435 R CB -1.207 28.717 30.300 -0.628 0.000 0.901 435 R HN 0.137 nan 8.270 nan 0.000 0.456 436 F N 2.494 122.388 119.950 -0.093 0.000 2.106 436 F HA -0.260 4.266 4.527 -0.001 0.000 0.299 436 F C 2.399 178.137 175.800 -0.103 0.000 1.082 436 F CA 1.656 59.621 58.000 -0.058 0.000 1.244 436 F CB -0.716 38.355 39.000 0.118 0.000 0.997 436 F HN 0.246 nan 8.300 nan 0.000 0.486 437 A N -1.070 121.705 122.820 -0.074 0.000 2.387 437 A HA 0.215 4.535 4.320 -0.001 0.000 0.234 437 A C 1.264 178.417 177.584 -0.718 0.000 1.253 437 A CA -0.109 51.708 52.037 -0.367 0.000 0.894 437 A CB -0.456 18.402 19.000 -0.236 0.000 0.963 437 A HN 0.097 nan 8.150 nan 0.000 0.508 438 M N 2.112 121.385 119.600 -0.546 0.000 3.700 438 M HA 0.061 4.540 4.480 -0.001 0.000 0.190 438 M C 0.886 176.878 176.300 -0.512 0.000 1.422 438 M CA 0.437 55.303 55.300 -0.724 0.000 1.646 438 M CB -1.669 30.677 32.600 -0.423 0.000 1.154 438 M HN 0.672 nan 8.290 nan 0.000 0.506 439 H N -2.437 116.490 119.070 -0.238 0.000 2.654 439 H HA 0.055 4.610 4.556 -0.000 0.000 0.264 439 H C -0.123 175.358 175.328 0.254 0.000 0.954 439 H CA -0.047 56.105 56.048 0.173 0.000 1.199 439 H CB 0.148 30.057 29.762 0.245 0.000 1.446 439 H HN 0.421 nan 8.280 nan 0.000 0.516 440 Y N -0.808 119.613 120.300 0.201 0.000 4.729 440 Y HA -0.232 4.317 4.550 -0.001 0.000 0.239 440 Y C -0.100 175.866 175.900 0.111 0.000 1.043 440 Y CA 0.290 58.482 58.100 0.152 0.000 2.045 440 Y CB -2.742 35.808 38.460 0.151 0.000 1.599 440 Y HN 0.366 nan 8.280 nan 0.000 0.655 441 F N 2.523 122.499 119.950 0.043 0.000 2.410 441 F HA 0.590 5.116 4.527 -0.001 0.000 0.348 441 F C 0.520 176.246 175.800 -0.124 0.000 1.106 441 F CA 0.014 57.711 58.000 -0.506 0.000 1.163 441 F CB 0.929 39.248 39.000 -1.135 0.000 1.129 441 F HN 0.056 nan 8.300 nan 0.000 0.516 442 T N 2.143 116.168 114.554 -0.882 0.000 2.900 442 T HA 0.543 4.892 4.350 -0.001 0.000 0.295 442 T C -1.669 172.576 174.700 -0.760 0.000 1.044 442 T CA -0.797 60.950 62.100 -0.589 0.000 0.995 442 T CB 1.775 70.486 68.868 -0.262 0.000 1.072 442 T HN 0.671 nan 8.240 nan 0.000 0.473 443 D N 0.311 120.450 120.400 -0.435 0.000 2.891 443 D HA 0.372 5.011 4.640 -0.001 0.000 0.224 443 D C 0.633 176.850 176.300 -0.139 0.000 1.321 443 D CA -0.667 53.157 54.000 -0.294 0.000 0.929 443 D CB 1.770 42.424 40.800 -0.243 0.000 1.551 443 D HN 0.490 nan 8.370 nan 0.000 0.574 444 K N 1.686 122.024 120.400 -0.103 0.000 2.032 444 K HA -0.126 4.194 4.320 -0.001 0.000 0.209 444 K C 1.504 178.083 176.600 -0.036 0.000 1.048 444 K CA 1.309 57.561 56.287 -0.059 0.000 0.927 444 K CB 0.076 32.548 32.500 -0.047 0.000 0.712 444 K HN 0.320 nan 8.250 nan 0.000 0.441 445 K N 0.376 120.755 120.400 -0.035 0.000 2.057 445 K HA -0.130 4.189 4.320 -0.001 0.000 0.207 445 K C 2.056 178.643 176.600 -0.022 0.000 1.049 445 K CA 1.114 57.389 56.287 -0.019 0.000 0.931 445 K CB -0.276 32.215 32.500 -0.015 0.000 0.714 445 K HN -0.002 nan 8.250 nan 0.000 0.440 446 L N 2.019 123.219 121.223 -0.038 0.000 1.989 446 L HA -0.206 4.133 4.340 -0.001 0.000 0.211 446 L C 1.448 178.303 176.870 -0.024 0.000 1.071 446 L CA 1.986 56.793 54.840 -0.055 0.000 0.749 446 L CB -0.543 41.489 42.059 -0.045 0.000 0.890 446 L HN 0.120 nan 8.230 nan 0.000 0.431 447 D N -0.373 120.024 120.400 -0.005 0.000 2.123 447 D HA -0.157 4.483 4.640 -0.001 0.000 0.196 447 D C 2.108 178.447 176.300 0.064 0.000 0.992 447 D CA 1.461 55.481 54.000 0.033 0.000 0.833 447 D CB -0.615 40.194 40.800 0.016 0.000 0.954 447 D HN 0.530 nan 8.370 nan 0.000 0.455 448 G N 0.716 109.541 108.800 0.041 0.000 2.421 448 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.216 448 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.216 448 G C 1.822 176.775 174.900 0.089 0.000 1.171 448 G CA 0.424 45.560 45.100 0.060 0.000 0.775 448 G HN 0.253 nan 8.290 nan 0.000 0.543 449 L N -0.068 121.191 121.223 0.060 0.000 2.012 449 L HA -0.064 4.276 4.340 -0.001 0.000 0.210 449 L C 2.976 179.933 176.870 0.144 0.000 1.073 449 L CA 0.712 55.597 54.840 0.076 0.000 0.748 449 L CB -0.520 41.547 42.059 0.013 0.000 0.891 449 L HN 0.189 nan 8.230 nan 0.000 0.431 450 L N -0.361 120.932 121.223 0.118 0.000 1.990 450 L HA -0.279 4.060 4.340 -0.001 0.000 0.213 450 L C 2.162 179.264 176.870 0.387 0.000 1.072 450 L CA 1.375 56.335 54.840 0.199 0.000 0.755 450 L CB -0.716 41.395 42.059 0.086 0.000 0.889 450 L HN 0.300 nan 8.230 nan 0.000 0.432 451 D N -0.734 119.873 120.400 0.346 0.000 2.351 451 D HA -0.116 4.523 4.640 -0.001 0.000 0.216 451 D C 2.220 178.758 176.300 0.396 0.000 0.968 451 D CA 1.364 55.649 54.000 0.476 0.000 0.899 451 D CB 0.027 41.075 40.800 0.414 0.000 0.907 451 D HN 0.383 nan 8.370 nan 0.000 0.514 452 S N -1.045 114.820 115.700 0.276 0.000 2.517 452 S HA -0.009 4.460 4.470 -0.001 0.000 0.214 452 S C 1.816 176.501 174.600 0.143 0.000 0.991 452 S CA -0.486 57.830 58.200 0.192 0.000 0.906 452 S CB -0.486 62.792 63.200 0.129 0.000 0.789 452 S HN 0.164 nan 8.310 nan 0.000 0.513 453 F N 2.064 122.011 119.950 -0.005 0.000 2.115 453 F HA -0.112 4.414 4.527 -0.001 0.000 0.300 453 F C 1.127 176.696 175.800 -0.386 0.000 1.092 453 F CA 1.466 59.335 58.000 -0.217 0.000 1.245 453 F CB -0.165 38.653 39.000 -0.303 0.000 0.995 453 F HN 0.235 nan 8.300 nan 0.000 0.481 454 Y N 0.076 120.357 120.300 -0.032 0.000 2.625 454 Y HA 0.221 4.770 4.550 -0.001 0.000 0.285 454 Y C 1.400 177.248 175.900 -0.086 0.000 1.168 454 Y CA -0.238 57.767 58.100 -0.157 0.000 1.250 454 Y CB -0.478 37.841 38.460 -0.235 0.000 1.130 454 Y HN -0.012 nan 8.280 nan 0.000 0.526 455 K N -0.697 119.741 120.400 0.063 0.000 2.379 455 K HA 0.086 4.405 4.320 -0.001 0.000 0.194 455 K C 0.731 177.342 176.600 0.018 0.000 1.031 455 K CA 0.403 56.733 56.287 0.071 0.000 1.037 455 K CB 0.599 33.154 32.500 0.092 0.000 0.824 455 K HN 0.059 nan 8.250 nan 0.000 0.516 456 T N -1.883 112.646 114.554 -0.041 0.000 2.906 456 T HA 0.520 4.870 4.350 -0.001 0.000 0.295 456 T C -0.590 174.058 174.700 -0.087 0.000 1.061 456 T CA -0.675 61.388 62.100 -0.061 0.000 1.000 456 T CB 1.898 70.715 68.868 -0.085 0.000 1.103 456 T HN -0.012 nan 8.240 nan 0.000 0.486 457 A N 2.020 124.806 122.820 -0.058 0.000 2.390 457 A HA 0.318 4.638 4.320 -0.001 0.000 0.232 457 A C 0.581 178.126 177.584 -0.065 0.000 1.233 457 A CA -0.155 51.853 52.037 -0.049 0.000 0.907 457 A CB -0.004 18.987 19.000 -0.014 0.000 0.967 457 A HN 0.761 nan 8.150 nan 0.000 0.512 458 D N 0.934 121.284 120.400 -0.082 0.000 2.352 458 D HA 0.152 4.792 4.640 -0.001 0.000 0.245 458 D C 0.659 176.891 176.300 -0.113 0.000 1.224 458 D CA 0.053 54.005 54.000 -0.079 0.000 0.879 458 D CB 0.743 41.503 40.800 -0.066 0.000 1.057 458 D HN 0.258 nan 8.370 nan 0.000 0.491 459 K N 2.587 122.925 120.400 -0.104 0.000 2.103 459 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 459 K C 1.476 177.984 176.600 -0.154 0.000 1.048 459 K CA 0.917 57.124 56.287 -0.133 0.000 0.930 459 K CB 0.196 32.622 32.500 -0.125 0.000 0.716 459 K HN 0.405 nan 8.250 nan 0.000 0.444 460 N N 1.019 119.645 118.700 -0.122 0.000 2.309 460 N HA -0.173 4.567 4.740 -0.001 0.000 0.182 460 N C 1.718 177.167 175.510 -0.103 0.000 1.018 460 N CA 0.961 53.942 53.050 -0.114 0.000 0.876 460 N CB 0.081 38.521 38.487 -0.078 0.000 0.972 460 N HN 0.401 nan 8.380 nan 0.000 0.434 461 E N 1.131 121.273 120.200 -0.096 0.000 2.112 461 E HA -0.100 4.249 4.350 -0.001 0.000 0.190 461 E C 1.659 178.200 176.600 -0.100 0.000 0.979 461 E CA 0.608 56.958 56.400 -0.083 0.000 0.814 461 E CB 0.172 29.824 29.700 -0.079 0.000 0.762 461 E HN 0.317 nan 8.360 nan 0.000 0.460 462 Q N 0.058 119.764 119.800 -0.156 0.000 2.119 462 Q HA -0.134 4.206 4.340 -0.001 0.000 0.201 462 Q C 2.228 178.287 176.000 0.098 0.000 0.972 462 Q CA 0.893 56.579 55.803 -0.194 0.000 0.847 462 Q CB 0.014 28.497 28.738 -0.425 0.000 0.903 462 Q HN 0.259 nan 8.270 nan 0.000 0.433 463 L N 0.437 121.650 121.223 -0.018 0.000 2.056 463 L HA -0.094 4.246 4.340 -0.001 0.000 0.207 463 L C 2.089 178.804 176.870 -0.259 0.000 1.078 463 L CA 1.973 56.749 54.840 -0.108 0.000 0.749 463 L CB -0.730 41.154 42.059 -0.292 0.000 0.901 463 L HN 0.109 nan 8.230 nan 0.000 0.433 464 A N -0.354 122.369 122.820 -0.161 0.000 1.933 464 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 464 A C 2.271 179.871 177.584 0.028 0.000 1.175 464 A CA 2.042 54.028 52.037 -0.084 0.000 0.628 464 A CB -0.809 18.176 19.000 -0.026 0.000 0.814 464 A HN 0.511 nan 8.150 nan 0.000 0.444 465 I N -0.431 120.180 120.570 0.069 0.000 2.252 465 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 465 I C 3.002 179.226 176.117 0.179 0.000 1.102 465 I CA 0.916 62.296 61.300 0.133 0.000 1.385 465 I CB -0.431 37.680 38.000 0.185 0.000 1.064 465 I HN 0.363 nan 8.210 nan 0.000 0.414 466 A N 0.581 123.583 122.820 0.304 0.000 1.865 466 A HA -0.284 4.036 4.320 -0.001 0.000 0.217 466 A C 2.147 179.910 177.584 0.298 0.000 1.191 466 A CA 1.939 54.219 52.037 0.404 0.000 0.623 466 A CB -1.024 18.407 19.000 0.719 0.000 0.826 466 A HN 0.404 nan 8.150 nan 0.000 0.444 467 H N -0.472 118.720 119.070 0.203 0.000 2.390 467 H HA -0.102 4.453 4.556 -0.001 0.000 0.298 467 H C 2.375 177.725 175.328 0.036 0.000 1.106 467 H CA 1.029 57.162 56.048 0.142 0.000 1.297 467 H CB -1.041 28.805 29.762 0.140 0.000 1.375 467 H HN 0.482 nan 8.280 nan 0.000 0.509 468 G N 0.132 109.015 108.800 0.137 0.000 2.408 468 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.217 468 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.217 468 G C 1.874 176.710 174.900 -0.107 0.000 1.150 468 G CA 0.735 45.852 45.100 0.029 0.000 0.776 468 G HN 0.361 nan 8.290 nan 0.000 0.542 469 I N -0.026 120.397 120.570 -0.244 0.000 2.202 469 I HA -0.175 3.994 4.170 -0.001 0.000 0.242 469 I C 2.808 178.516 176.117 -0.682 0.000 1.091 469 I CA 1.248 62.210 61.300 -0.564 0.000 1.368 469 I CB -0.325 37.126 38.000 -0.914 0.000 1.058 469 I HN 0.226 nan 8.210 nan 0.000 0.410 470 Q N 1.557 121.017 119.800 -0.567 0.000 2.045 470 Q HA -0.328 4.012 4.340 -0.001 0.000 0.206 470 Q C 2.186 178.120 176.000 -0.110 0.000 0.991 470 Q CA 2.528 58.197 55.803 -0.225 0.000 0.851 470 Q CB -0.057 28.775 28.738 0.157 0.000 0.911 470 Q HN 0.328 nan 8.270 nan 0.000 0.418 471 K N 0.038 120.411 120.400 -0.046 0.000 2.155 471 K HA -0.070 4.249 4.320 -0.001 0.000 0.203 471 K C 1.813 178.364 176.600 -0.082 0.000 1.052 471 K CA 1.143 57.438 56.287 0.014 0.000 0.948 471 K CB -0.147 32.413 32.500 0.100 0.000 0.728 471 K HN 0.304 nan 8.250 nan 0.000 0.448 472 I N 0.621 121.113 120.570 -0.131 0.000 2.202 472 I HA -0.243 3.927 4.170 -0.001 0.000 0.242 472 I C 2.187 178.180 176.117 -0.207 0.000 1.091 472 I CA 1.239 62.465 61.300 -0.124 0.000 1.368 472 I CB -0.218 37.722 38.000 -0.101 0.000 1.058 472 I HN 0.156 nan 8.210 nan 0.000 0.410 473 I N 0.795 121.166 120.570 -0.330 0.000 2.202 473 I HA -0.259 3.911 4.170 -0.001 0.000 0.242 473 I C 2.836 178.755 176.117 -0.330 0.000 1.091 473 I CA 1.294 62.340 61.300 -0.423 0.000 1.368 473 I CB -0.510 37.109 38.000 -0.635 0.000 1.058 473 I HN 0.173 nan 8.210 nan 0.000 0.410 474 A N 0.451 123.104 122.820 -0.279 0.000 1.902 474 A HA -0.279 4.041 4.320 -0.001 0.000 0.217 474 A C 2.293 179.420 177.584 -0.761 0.000 1.181 474 A CA 2.029 53.851 52.037 -0.358 0.000 0.623 474 A CB -0.689 18.187 19.000 -0.206 0.000 0.818 474 A HN 0.491 nan 8.150 nan 0.000 0.443 475 E N -0.073 119.705 120.200 -0.704 0.000 2.110 475 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 475 E C 1.234 177.648 176.600 -0.311 0.000 0.988 475 E CA 1.339 57.392 56.400 -0.577 0.000 0.804 475 E CB -0.097 29.494 29.700 -0.181 0.000 0.745 475 E HN 0.622 nan 8.360 nan 0.000 0.458 476 N N 0.529 119.063 118.700 -0.277 0.000 2.336 476 N HA -0.077 4.663 4.740 -0.001 0.000 0.189 476 N C -0.197 175.165 175.510 -0.247 0.000 1.113 476 N CA 0.260 53.169 53.050 -0.236 0.000 0.858 476 N CB 0.534 38.813 38.487 -0.348 0.000 0.970 476 N HN 0.108 nan 8.380 nan 0.000 0.471 477 Q N 0.894 120.551 119.800 -0.238 0.000 2.417 477 Q HA -0.152 4.188 4.340 -0.001 0.000 0.350 477 Q C 0.557 176.498 176.000 -0.099 0.000 1.364 477 Q CA -0.003 55.725 55.803 -0.125 0.000 1.024 477 Q CB -1.672 27.012 28.738 -0.090 0.000 1.235 477 Q HN 0.129 nan 8.270 nan 0.000 0.388 478 V N -0.891 118.895 119.914 -0.213 0.000 2.252 478 V HA -0.247 3.873 4.120 -0.001 0.000 0.249 478 V C 1.456 177.580 176.094 0.051 0.000 1.056 478 V CA 2.321 64.484 62.300 -0.227 0.000 1.022 478 V CB -0.998 30.567 31.823 -0.429 0.000 0.641 478 V HN 0.852 nan 8.190 nan 0.000 0.445 479 T N -2.647 111.978 114.554 0.118 0.000 2.883 479 T HA 0.693 5.042 4.350 -0.001 0.000 0.284 479 T C -0.835 173.981 174.700 0.193 0.000 1.041 479 T CA -0.696 61.514 62.100 0.184 0.000 1.007 479 T CB 2.123 71.157 68.868 0.277 0.000 1.220 479 T HN -0.081 nan 8.240 nan 0.000 0.552 480 I N 2.754 123.474 120.570 0.249 0.000 2.479 480 I HA 0.338 4.508 4.170 -0.001 0.000 0.279 480 I C -2.268 174.065 176.117 0.360 0.000 1.102 480 I CA -2.431 59.056 61.300 0.312 0.000 1.196 480 I CB 0.873 39.113 38.000 0.399 0.000 1.427 480 I HN 0.431 nan 8.210 nan 0.000 0.503 481 P HA 0.050 nan 4.420 nan 0.000 0.267 481 P C 0.512 177.962 177.300 0.250 0.000 1.200 481 P CA 0.250 63.500 63.100 0.250 0.000 0.772 481 P CB 2.077 33.920 31.700 0.238 0.000 0.855 482 V N 2.085 122.111 119.914 0.186 0.000 3.159 482 V HA 0.195 4.314 4.120 -0.001 0.000 0.234 482 V C 0.823 176.974 176.094 0.095 0.000 1.313 482 V CA 1.072 63.485 62.300 0.188 0.000 1.271 482 V CB -0.019 31.954 31.823 0.250 0.000 1.053 482 V HN 0.660 nan 8.190 nan 0.000 0.476 483 M N -2.172 117.438 119.600 0.018 0.000 3.084 483 M HA 0.608 5.088 4.480 -0.001 0.000 0.273 483 M C -1.673 174.552 176.300 -0.125 0.000 1.242 483 M CA -0.427 54.840 55.300 -0.055 0.000 0.819 483 M CB 2.143 34.661 32.600 -0.136 0.000 1.625 483 M HN -0.210 nan 8.290 nan 0.000 0.493 484 S N 0.616 116.226 115.700 -0.149 0.000 2.530 484 S HA 0.737 5.206 4.470 -0.001 0.000 0.322 484 S C 0.054 174.505 174.600 -0.248 0.000 1.085 484 S CA -0.412 57.653 58.200 -0.226 0.000 1.096 484 S CB 1.532 64.616 63.200 -0.194 0.000 0.988 484 S HN 0.893 nan 8.310 nan 0.000 0.466 485 G N 1.974 110.591 108.800 -0.305 0.000 2.666 485 G HA2 0.795 4.755 3.960 -0.001 0.000 0.207 485 G HA3 0.795 4.755 3.960 -0.001 0.000 0.207 485 G C -0.462 174.256 174.900 -0.303 0.000 1.481 485 G CA -0.268 44.669 45.100 -0.272 0.000 1.071 485 G HN 0.975 nan 8.290 nan 0.000 0.572 486 A N -2.351 120.301 122.820 -0.280 0.000 2.606 486 A HA 0.554 4.873 4.320 -0.001 0.000 0.293 486 A C -1.784 175.549 177.584 -0.418 0.000 1.082 486 A CA -0.790 51.041 52.037 -0.344 0.000 0.685 486 A CB 0.596 19.552 19.000 -0.072 0.000 1.284 486 A HN 0.613 nan 8.150 nan 0.000 0.408 487 W N 1.942 123.061 121.300 -0.301 0.000 2.160 487 W HA 0.426 5.085 4.660 -0.001 0.000 0.464 487 W C 0.099 176.255 176.519 -0.605 0.000 0.914 487 W CA -0.329 56.754 57.345 -0.437 0.000 1.742 487 W CB -0.365 28.852 29.460 -0.405 0.000 1.780 487 W HN 0.485 nan 8.180 nan 0.000 0.307 488 M N 2.868 122.129 119.600 -0.564 0.000 2.240 488 M HA -0.047 4.432 4.480 -0.001 0.000 0.346 488 M C -0.364 175.689 176.300 -0.412 0.000 1.236 488 M CA 0.939 55.660 55.300 -0.965 0.000 0.986 488 M CB -0.307 31.962 32.600 -0.552 0.000 1.786 488 M HN 0.337 nan 8.290 nan 0.000 0.457 489 Y N 1.578 121.698 120.300 -0.301 0.000 2.376 489 Y HA 0.514 5.064 4.550 -0.001 0.000 0.321 489 Y C -1.983 174.122 175.900 0.341 0.000 1.189 489 Y CA -1.094 57.045 58.100 0.065 0.000 1.069 489 Y CB 1.261 39.826 38.460 0.174 0.000 1.292 489 Y HN 0.722 nan 8.280 nan 0.000 0.430 490 Q N 5.660 125.380 119.800 -0.132 0.000 2.337 490 Q HA 0.534 4.873 4.340 -0.001 0.000 0.270 490 Q C -1.741 174.058 176.000 -0.335 0.000 1.043 490 Q CA -0.778 54.890 55.803 -0.224 0.000 0.794 490 Q CB 2.578 31.120 28.738 -0.327 0.000 1.281 490 Q HN 0.593 nan 8.270 nan 0.000 0.446 491 Y N -0.905 119.039 120.300 -0.592 0.000 2.499 491 Y HA 0.763 5.313 4.550 -0.001 0.000 0.347 491 Y C -0.943 174.615 175.900 -0.571 0.000 0.987 491 Y CA -1.323 56.197 58.100 -0.967 0.000 1.044 491 Y CB 1.557 38.969 38.460 -1.746 0.000 1.245 491 Y HN 0.480 nan 8.280 nan 0.000 0.461 492 N N 1.070 119.496 118.700 -0.457 0.000 2.392 492 N HA 0.210 4.950 4.740 -0.001 0.000 0.283 492 N C 0.176 175.761 175.510 0.124 0.000 1.003 492 N CA -0.104 52.895 53.050 -0.086 0.000 0.892 492 N CB 1.926 40.458 38.487 0.075 0.000 1.193 492 N HN 0.940 nan 8.380 nan 0.000 0.487 493 T N -0.803 113.873 114.554 0.202 0.000 3.107 493 T HA 0.030 4.379 4.350 -0.001 0.000 0.249 493 T C 1.355 176.215 174.700 0.266 0.000 1.096 493 T CA 0.291 62.606 62.100 0.359 0.000 1.012 493 T CB -0.178 68.897 68.868 0.345 0.000 0.977 493 T HN 0.372 nan 8.240 nan 0.000 0.527 494 T N 2.423 117.098 114.554 0.202 0.000 2.684 494 T HA -0.075 4.274 4.350 -0.001 0.000 0.267 494 T C 1.995 176.766 174.700 0.118 0.000 1.036 494 T CA 1.339 63.519 62.100 0.132 0.000 1.148 494 T CB -0.091 68.845 68.868 0.114 0.000 0.863 494 T HN 0.471 nan 8.240 nan 0.000 0.436 495 R N -1.184 119.431 120.500 0.192 0.000 2.250 495 R HA 0.313 4.653 4.340 -0.001 0.000 0.194 495 R C -0.342 175.796 176.300 -0.270 0.000 0.927 495 R CA 0.212 56.302 56.100 -0.017 0.000 1.052 495 R CB 0.534 30.861 30.300 0.045 0.000 1.055 495 R HN 0.264 nan 8.270 nan 0.000 0.537 496 F N -0.518 119.573 119.950 0.236 0.000 2.620 496 F HA 0.442 4.969 4.527 -0.001 0.000 0.320 496 F C 0.409 176.363 175.800 0.257 0.000 1.069 496 F CA -1.008 57.080 58.000 0.146 0.000 0.953 496 F CB 1.840 40.824 39.000 -0.026 0.000 1.322 496 F HN -0.196 nan 8.300 nan 0.000 0.479 497 T N -3.037 111.635 114.554 0.196 0.000 2.804 497 T HA 0.657 5.006 4.350 -0.001 0.000 0.290 497 T C 0.282 174.893 174.700 -0.149 0.000 1.099 497 T CA -0.414 61.778 62.100 0.154 0.000 1.011 497 T CB 1.454 70.405 68.868 0.138 0.000 1.291 497 T HN 1.600 nan 8.240 nan 0.000 0.523 498 G N -0.688 108.080 108.800 -0.053 0.000 2.159 498 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.227 498 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.227 498 G C -0.138 174.699 174.900 -0.105 0.000 0.986 498 G CA -0.311 44.728 45.100 -0.102 0.000 0.651 498 G HN 0.820 nan 8.290 nan 0.000 0.523 499 W N 0.054 121.322 121.300 -0.052 0.000 2.148 499 W HA 0.575 5.234 4.660 -0.001 0.000 0.347 499 W C 0.623 177.171 176.519 0.049 0.000 1.288 499 W CA -0.580 56.702 57.345 -0.104 0.000 1.252 499 W CB 0.366 29.517 29.460 -0.514 0.000 1.156 499 W HN 0.106 nan 8.180 nan 0.000 0.580 500 W N 1.834 123.247 121.300 0.187 0.000 2.251 500 W HA 0.467 5.127 4.660 -0.000 0.000 0.329 500 W C 0.282 176.722 176.519 -0.132 0.000 1.234 500 W CA -1.276 55.969 57.345 -0.166 0.000 1.228 500 W CB 0.511 29.708 29.460 -0.438 0.000 1.135 500 W HN 0.314 nan 8.180 nan 0.000 0.576 501 S N -0.689 114.812 115.700 -0.331 0.000 2.672 501 S HA 0.187 4.656 4.470 -0.001 0.000 0.271 501 S C 0.497 174.150 174.600 -1.579 0.000 1.171 501 S CA -0.695 57.082 58.200 -0.704 0.000 0.817 501 S CB 1.920 64.973 63.200 -0.245 0.000 1.150 501 S HN 0.533 nan 8.310 nan 0.000 0.478 502 E N 0.537 119.818 120.200 -1.532 0.000 2.160 502 E HA -0.212 4.137 4.350 -0.001 0.000 0.195 502 E C 1.639 177.960 176.600 -0.466 0.000 0.991 502 E CA 1.503 57.345 56.400 -0.930 0.000 0.810 502 E CB -0.096 29.417 29.700 -0.312 0.000 0.742 502 E HN 0.700 nan 8.360 nan 0.000 0.466 503 E N 0.255 120.233 120.200 -0.370 0.000 2.299 503 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 503 E C 0.348 176.815 176.600 -0.221 0.000 0.998 503 E CA 0.649 56.919 56.400 -0.216 0.000 0.851 503 E CB 0.166 29.779 29.700 -0.144 0.000 0.795 503 E HN 0.022 nan 8.360 nan 0.000 0.492 504 N N 0.892 119.406 118.700 -0.310 0.000 2.703 504 N HA 0.141 4.881 4.740 -0.001 0.000 0.283 504 N C -2.609 172.657 175.510 -0.407 0.000 1.851 504 N CA -1.853 51.038 53.050 -0.265 0.000 0.826 504 N CB 1.422 39.823 38.487 -0.144 0.000 1.239 504 N HN -0.060 nan 8.380 nan 0.000 0.495 505 P HA 0.092 nan 4.420 nan 0.000 0.231 505 P C 0.053 177.158 177.300 -0.325 0.000 1.756 505 P CA 0.008 62.885 63.100 -0.371 0.000 0.990 505 P CB 0.030 31.642 31.700 -0.148 0.000 1.973 506 K N 0.263 120.228 120.400 -0.725 0.000 2.283 506 K HA 0.114 4.433 4.320 -0.001 0.000 0.202 506 K C 1.288 177.300 176.600 -0.980 0.000 1.048 506 K CA 0.854 56.500 56.287 -1.067 0.000 0.948 506 K CB 0.057 31.420 32.500 -1.894 0.000 0.742 506 K HN 0.460 nan 8.250 nan 0.000 0.458 507 G N 0.235 108.618 108.800 -0.696 0.000 2.327 507 G HA2 0.073 4.033 3.960 -0.001 0.000 0.291 507 G HA3 0.073 4.033 3.960 -0.001 0.000 0.291 507 G C -1.644 173.312 174.900 0.095 0.000 1.290 507 G CA -1.157 43.793 45.100 -0.250 0.000 0.857 507 G HN 0.011 nan 8.290 nan 0.000 0.520 508 R N 1.366 121.866 120.500 0.000 0.000 2.488 508 R HA 0.119 4.458 4.340 -0.001 0.000 0.317 508 R C -1.375 174.901 176.300 -0.040 0.000 0.941 508 R CA -0.258 55.670 56.100 -0.287 0.000 1.076 508 R CB 0.901 30.810 30.300 -0.651 0.000 0.917 508 R HN 0.306 nan 8.270 nan 0.000 0.407 509 P HA -0.066 nan 4.420 nan 0.000 0.241 509 P C 0.324 177.534 177.300 -0.151 0.000 1.191 509 P CA 0.368 63.340 63.100 -0.213 0.000 0.771 509 P CB 0.394 31.687 31.700 -0.678 0.000 0.929 510 S N -0.022 115.506 115.700 -0.286 0.000 2.559 510 S HA 0.007 4.477 4.470 -0.001 0.000 0.282 510 S C 0.979 175.425 174.600 -0.256 0.000 1.336 510 S CA -0.268 57.708 58.200 -0.372 0.000 1.037 510 S CB 0.450 63.265 63.200 -0.642 0.000 0.853 510 S HN -0.031 nan 8.310 nan 0.000 0.523 511 V N 5.459 125.046 119.914 -0.544 0.000 3.528 511 V HA 0.301 4.421 4.120 -0.001 0.000 0.294 511 V C -0.401 175.508 176.094 -0.309 0.000 1.404 511 V CA -0.638 61.179 62.300 -0.804 0.000 1.065 511 V CB -0.295 30.552 31.823 -1.627 0.000 0.904 511 V HN 0.793 nan 8.190 nan 0.000 0.435 512 W N 1.259 122.421 121.300 -0.230 0.000 2.158 512 W HA 0.509 5.169 4.660 -0.001 0.000 0.339 512 W C 0.759 177.238 176.519 -0.067 0.000 1.294 512 W CA -0.503 56.755 57.345 -0.146 0.000 1.231 512 W CB 0.006 29.424 29.460 -0.071 0.000 1.143 512 W HN 0.280 nan 8.180 nan 0.000 0.571 513 A N 1.650 124.583 122.820 0.188 0.000 2.483 513 A HA 0.504 4.824 4.320 -0.001 0.000 0.238 513 A C 1.199 178.895 177.584 0.187 0.000 1.070 513 A CA 0.982 53.091 52.037 0.120 0.000 0.770 513 A CB -0.196 18.864 19.000 0.101 0.000 1.008 513 A HN 1.581 nan 8.150 nan 0.000 0.497 514 G N 0.163 109.013 108.800 0.085 0.000 2.195 514 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.224 514 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.224 514 G C 0.003 174.934 174.900 0.051 0.000 0.990 514 G CA 0.155 45.265 45.100 0.017 0.000 0.639 514 G HN 0.779 nan 8.290 nan 0.000 0.514 515 I N 2.681 123.311 120.570 0.100 0.000 2.620 515 I HA 0.238 4.408 4.170 -0.001 0.000 0.280 515 I C -0.991 175.120 176.117 -0.010 0.000 1.143 515 I CA -2.303 59.020 61.300 0.038 0.000 1.163 515 I CB 0.867 38.853 38.000 -0.022 0.000 1.461 515 I HN -0.092 nan 8.210 nan 0.000 0.530 516 P HA -0.192 nan 4.420 nan 0.000 0.220 516 P C 0.824 178.137 177.300 0.021 0.000 1.144 516 P CA 1.387 64.468 63.100 -0.032 0.000 0.800 516 P CB 0.439 32.127 31.700 -0.019 0.000 0.772 517 E N 0.125 120.375 120.200 0.084 0.000 2.401 517 E HA -0.164 4.186 4.350 -0.001 0.000 0.199 517 E C 2.119 178.825 176.600 0.177 0.000 1.023 517 E CA 0.646 57.164 56.400 0.197 0.000 0.859 517 E CB -0.718 29.158 29.700 0.293 0.000 0.780 517 E HN 0.491 nan 8.360 nan 0.000 0.523 518 R N 0.348 120.915 120.500 0.111 0.000 2.237 518 R HA -0.084 4.256 4.340 -0.001 0.000 0.219 518 R C 1.946 178.421 176.300 0.291 0.000 1.080 518 R CA 0.881 57.131 56.100 0.250 0.000 0.995 518 R CB -0.403 29.954 30.300 0.095 0.000 0.875 518 R HN 0.183 nan 8.270 nan 0.000 0.462 519 L N 1.185 122.460 121.223 0.087 0.000 2.072 519 L HA 0.015 4.355 4.340 -0.001 0.000 0.205 519 L C 2.029 179.010 176.870 0.185 0.000 1.079 519 L CA 1.423 56.338 54.840 0.125 0.000 0.752 519 L CB -0.239 41.834 42.059 0.023 0.000 0.906 519 L HN 0.196 nan 8.230 nan 0.000 0.436 520 L N -1.169 120.167 121.223 0.188 0.000 2.027 520 L HA -0.236 4.104 4.340 -0.001 0.000 0.206 520 L C 2.620 179.597 176.870 0.179 0.000 1.074 520 L CA 1.738 56.726 54.840 0.246 0.000 0.745 520 L CB -1.011 41.287 42.059 0.398 0.000 0.898 520 L HN 0.460 nan 8.230 nan 0.000 0.433 521 H N -0.520 118.367 119.070 -0.304 0.000 2.290 521 H HA -0.213 4.342 4.556 -0.001 0.000 0.298 521 H C 2.410 177.348 175.328 -0.650 0.000 1.087 521 H CA 1.577 56.989 56.048 -1.059 0.000 1.291 521 H CB 0.236 29.125 29.762 -1.455 0.000 1.369 521 H HN 0.065 nan 8.280 nan 0.000 0.492 522 V N 1.019 120.797 119.914 -0.226 0.000 2.594 522 V HA -0.196 3.924 4.120 -0.001 0.000 0.253 522 V C 2.027 178.039 176.094 -0.138 0.000 1.069 522 V CA 1.493 63.655 62.300 -0.230 0.000 1.082 522 V CB -0.373 31.608 31.823 0.264 0.000 0.680 522 V HN 0.397 nan 8.190 nan 0.000 0.469 523 L N -0.464 120.740 121.223 -0.032 0.000 2.599 523 L HA 0.055 4.395 4.340 -0.001 0.000 0.230 523 L C 1.492 178.343 176.870 -0.031 0.000 1.141 523 L CA 0.557 55.389 54.840 -0.014 0.000 0.877 523 L CB -0.254 41.828 42.059 0.039 0.000 1.009 523 L HN 0.301 nan 8.230 nan 0.000 0.447 524 D N -0.930 119.428 120.400 -0.070 0.000 2.389 524 D HA 0.125 4.765 4.640 -0.001 0.000 0.206 524 D C 0.451 176.655 176.300 -0.161 0.000 1.055 524 D CA 0.177 54.155 54.000 -0.036 0.000 0.856 524 D CB 0.503 41.372 40.800 0.116 0.000 0.957 524 D HN -0.001 nan 8.370 nan 0.000 0.509 525 L N 1.217 122.252 121.223 -0.313 0.000 2.418 525 L HA 0.313 4.652 4.340 -0.001 0.000 0.265 525 L C 0.403 177.187 176.870 -0.144 0.000 1.143 525 L CA -0.037 54.558 54.840 -0.409 0.000 0.809 525 L CB 0.592 42.198 42.059 -0.754 0.000 1.124 525 L HN -0.035 nan 8.230 nan 0.000 0.456 526 K N 2.029 122.407 120.400 -0.038 0.000 2.542 526 K HA 0.620 4.940 4.320 -0.001 0.000 0.259 526 K C -3.052 173.586 176.600 0.065 0.000 0.932 526 K CA -1.618 54.698 56.287 0.047 0.000 0.820 526 K CB 2.171 34.664 32.500 -0.011 0.000 1.345 526 K HN 0.188 nan 8.250 nan 0.000 0.432 527 P HA -0.051 nan 4.420 nan 0.000 0.269 527 P C 0.353 177.535 177.300 -0.195 0.000 1.215 527 P CA -0.490 62.372 63.100 -0.396 0.000 0.780 527 P CB 0.673 32.116 31.700 -0.427 0.000 0.898 528 V N -0.096 119.700 119.914 -0.195 0.000 2.872 528 V HA 0.119 4.238 4.120 -0.001 0.000 0.307 528 V C 0.579 176.628 176.094 -0.074 0.000 1.072 528 V CA 0.048 62.303 62.300 -0.076 0.000 1.148 528 V CB -0.563 31.234 31.823 -0.042 0.000 0.954 528 V HN 0.420 nan 8.190 nan 0.000 0.490 529 K N 0.000 120.377 120.400 -0.039 0.000 2.780 529 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 529 K CA 0.000 56.266 56.287 -0.035 0.000 0.838 529 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 529 K HN 0.000 nan 8.250 nan 0.000 0.543