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 2aaf_1_C DATA FIRST_RESID 7 DATA SEQUENCE KLGVHSEAGK LRKVMVCSPG LAHQRLTPSN CDELLFDDVI WVNQAKRDHF DATA SEQUENCE DFVTKMRERG IDVLEMHNLL TETIQNPEAL KWILDRKITA DSVGLGLTSE DATA SEQUENCE LRSWLESLEP RKLAEYLIGG VAADDLPASE GANILKMYRE YLGHSSFLLP DATA SEQUENCE PLPNTQFTRD TTCWIYGGVT LNPMYWPARR QETLLTTAIY KFHPEFANAE DATA SEQUENCE FEIWYGDPDK DHGSSTLEGG DVMPIGNGVV LIGMGERSSR QAIGQVAQSL DATA SEQUENCE FAKGAAERVI VAGLPKSRAA MALDTVFSFC DRDLVTVFPE VVKEIVPFSL DATA SEQUENCE RPDPSSPYGM NIRREEKTFL EVVAESLGLK KLRVVETGXX XXXXEREQWD DATA SEQUENCE DGNNVVCLEP GVVVGYDRNT YTNTLLRKAG VEVITISASE LGRGRGGGHX DATA SEQUENCE MTCPIVRDPI DY 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 7 K HA 0.000 nan 4.320 nan 0.000 0.191 7 K C 0.000 176.625 176.600 0.042 0.000 0.988 7 K CA 0.000 56.315 56.287 0.047 0.000 0.838 7 K CB 0.000 32.553 32.500 0.089 0.000 1.064 8 L N 1.724 122.947 121.223 0.000 0.000 2.456 8 L HA 0.526 4.867 4.340 0.001 0.000 0.272 8 L C 0.741 177.617 176.870 0.009 0.000 1.189 8 L CA 0.282 55.032 54.840 -0.150 0.000 0.846 8 L CB 0.375 42.210 42.059 -0.373 0.000 1.111 8 L HN 0.905 nan 8.230 nan 0.000 0.475 9 G N 1.903 110.657 108.800 -0.077 0.000 2.308 9 G HA2 0.289 4.249 3.960 0.001 0.000 0.288 9 G HA3 0.289 4.249 3.960 0.001 0.000 0.288 9 G C -1.712 173.007 174.900 -0.303 0.000 1.722 9 G CA -0.779 44.293 45.100 -0.047 0.000 0.924 9 G HN 0.299 nan 8.290 nan 0.000 0.732 10 V N 3.730 123.448 119.914 -0.326 0.000 2.313 10 V HA 0.407 4.527 4.120 0.001 0.000 0.278 10 V C 0.303 176.208 176.094 -0.315 0.000 1.017 10 V CA -0.722 61.443 62.300 -0.224 0.000 0.823 10 V CB 1.112 32.914 31.823 -0.035 0.000 1.010 10 V HN 0.841 nan 8.190 nan 0.000 0.443 11 H N 2.770 121.957 119.070 0.195 0.000 2.520 11 H HA 0.365 4.921 4.556 0.001 0.000 0.284 11 H C 0.734 176.232 175.328 0.284 0.000 1.037 11 H CA 0.582 56.835 56.048 0.341 0.000 1.168 11 H CB 0.825 30.771 29.762 0.307 0.000 1.497 11 H HN 0.736 nan 8.280 nan 0.000 0.547 12 S N -0.978 114.838 115.700 0.194 0.000 2.660 12 S HA 0.155 4.625 4.470 0.001 0.000 0.264 12 S C 0.125 174.752 174.600 0.044 0.000 1.131 12 S CA -0.820 57.457 58.200 0.129 0.000 0.846 12 S CB 2.116 65.410 63.200 0.156 0.000 1.151 12 S HN 0.003 nan 8.310 nan 0.000 0.486 13 E N -0.000 120.182 120.200 -0.029 0.000 2.290 13 E HA 0.315 4.665 4.350 0.001 0.000 0.197 13 E C 1.765 178.380 176.600 0.025 0.000 0.948 13 E CA 1.000 57.410 56.400 0.016 0.000 0.895 13 E CB 0.304 29.999 29.700 -0.008 0.000 0.865 13 E HN 0.704 nan 8.360 nan 0.000 0.486 14 A N 1.302 124.101 122.820 -0.035 0.000 2.147 14 A HA 0.275 4.595 4.320 0.001 0.000 0.211 14 A C 1.463 179.056 177.584 0.014 0.000 1.160 14 A CA 0.605 52.644 52.037 0.003 0.000 0.781 14 A CB -0.313 18.677 19.000 -0.016 0.000 0.842 14 A HN 0.146 nan 8.150 nan 0.000 0.475 15 G N 0.197 109.011 108.800 0.025 0.000 2.647 15 G HA2 0.266 4.227 3.960 0.001 0.000 0.234 15 G HA3 0.266 4.227 3.960 0.001 0.000 0.234 15 G C 0.105 175.019 174.900 0.023 0.000 1.252 15 G CA -0.037 45.080 45.100 0.028 0.000 0.846 15 G HN 0.416 nan 8.290 nan 0.000 0.589 16 K N 0.160 120.568 120.400 0.013 0.000 2.436 16 K HA 0.133 4.454 4.320 0.001 0.000 0.282 16 K C -0.141 176.463 176.600 0.007 0.000 1.044 16 K CA -0.255 56.035 56.287 0.004 0.000 1.028 16 K CB 0.393 32.891 32.500 -0.004 0.000 0.919 16 K HN 0.270 nan 8.250 nan 0.000 0.474 17 L N 5.401 126.622 121.223 -0.002 0.000 2.305 17 L HA 0.340 4.680 4.340 0.001 0.000 0.281 17 L C 0.397 177.247 176.870 -0.033 0.000 1.085 17 L CA 0.615 55.447 54.840 -0.015 0.000 0.813 17 L CB 0.863 42.912 42.059 -0.016 0.000 1.157 17 L HN 0.857 nan 8.230 nan 0.000 0.436 18 R N 2.834 123.306 120.500 -0.046 0.000 2.342 18 R HA 0.303 4.643 4.340 0.001 0.000 0.204 18 R C -0.184 176.068 176.300 -0.079 0.000 0.882 18 R CA -0.191 55.874 56.100 -0.057 0.000 1.041 18 R CB 0.598 30.868 30.300 -0.050 0.000 1.188 18 R HN 0.411 nan 8.270 nan 0.000 0.598 19 K N 1.645 121.986 120.400 -0.098 0.000 2.535 19 K HA 0.352 4.672 4.320 0.001 0.000 0.250 19 K C -1.608 174.923 176.600 -0.115 0.000 0.948 19 K CA -0.548 55.668 56.287 -0.119 0.000 0.796 19 K CB 2.338 34.736 32.500 -0.170 0.000 1.216 19 K HN -0.048 nan 8.250 nan 0.000 0.432 20 V N 0.576 120.442 119.914 -0.081 0.000 3.012 20 V HA 0.601 4.722 4.120 0.001 0.000 0.307 20 V C -0.886 175.206 176.094 -0.004 0.000 1.166 20 V CA -1.128 61.144 62.300 -0.047 0.000 0.974 20 V CB 1.909 33.704 31.823 -0.048 0.000 1.040 20 V HN 0.897 nan 8.190 nan 0.000 0.428 21 M N 4.433 124.065 119.600 0.054 0.000 2.268 21 M HA 0.813 5.294 4.480 0.001 0.000 0.344 21 M C -0.720 175.646 176.300 0.109 0.000 1.106 21 M CA -0.538 54.819 55.300 0.096 0.000 1.010 21 M CB 1.511 34.205 32.600 0.156 0.000 1.649 21 M HN 1.070 nan 8.290 nan 0.000 0.443 22 V N 1.741 121.727 119.914 0.120 0.000 3.156 22 V HA 0.848 4.969 4.120 0.001 0.000 0.311 22 V C -1.516 174.704 176.094 0.210 0.000 1.208 22 V CA -0.909 61.506 62.300 0.192 0.000 1.063 22 V CB 1.767 33.699 31.823 0.182 0.000 1.098 22 V HN 1.019 nan 8.190 nan 0.000 0.452 23 C N 1.997 121.462 119.300 0.275 0.000 2.716 23 C HA 0.758 5.218 4.460 0.001 0.000 0.366 23 C C 0.199 175.136 174.990 -0.090 0.000 1.073 23 C CA 0.386 59.482 59.018 0.130 0.000 1.260 23 C CB 0.469 28.234 27.740 0.043 0.000 1.755 23 C HN 1.613 nan 8.230 nan 0.000 0.475 24 S N 6.218 121.707 115.700 -0.353 0.000 2.617 24 S HA 0.696 5.166 4.470 0.001 0.000 0.269 24 S C -2.687 171.609 174.600 -0.505 0.000 1.292 24 S CA -0.665 56.933 58.200 -1.003 0.000 1.010 24 S CB 0.928 63.694 63.200 -0.723 0.000 0.944 24 S HN 0.634 nan 8.310 nan 0.000 0.536 25 P HA 0.498 nan 4.420 nan 0.000 0.272 25 P C 0.402 177.364 177.300 -0.564 0.000 1.240 25 P CA 0.091 62.615 63.100 -0.959 0.000 0.791 25 P CB 0.551 31.636 31.700 -1.025 0.000 0.978 26 G N -0.438 108.123 108.800 -0.398 0.000 2.726 26 G HA2 0.155 4.115 3.960 0.001 0.000 0.198 26 G HA3 0.155 4.115 3.960 0.001 0.000 0.198 26 G C 0.091 174.984 174.900 -0.012 0.000 1.195 26 G CA -0.357 44.629 45.100 -0.189 0.000 0.951 26 G HN 0.468 nan 8.290 nan 0.000 0.532 27 L N 1.226 122.438 121.223 -0.018 0.000 2.043 27 L HA 0.020 4.361 4.340 0.001 0.000 0.212 27 L C 3.062 179.945 176.870 0.022 0.000 1.075 27 L CA 3.417 58.260 54.840 0.005 0.000 0.752 27 L CB -0.898 41.151 42.059 -0.017 0.000 0.891 27 L HN 0.740 nan 8.230 nan 0.000 0.432 28 A N -1.111 121.731 122.820 0.037 0.000 1.917 28 A HA -0.281 4.040 4.320 0.001 0.000 0.219 28 A C 2.014 179.470 177.584 -0.213 0.000 1.182 28 A CA 2.090 54.049 52.037 -0.130 0.000 0.633 28 A CB -1.083 17.790 19.000 -0.211 0.000 0.819 28 A HN 0.722 nan 8.150 nan 0.000 0.448 29 H N -0.495 118.443 119.070 -0.219 0.000 2.529 29 H HA 0.065 4.622 4.556 0.001 0.000 0.277 29 H C 1.953 177.216 175.328 -0.108 0.000 0.999 29 H CA 1.174 57.078 56.048 -0.239 0.000 1.256 29 H CB -0.213 29.419 29.762 -0.218 0.000 1.402 29 H HN 0.648 nan 8.280 nan 0.000 0.566 30 Q N 0.375 120.210 119.800 0.059 0.000 2.245 30 Q HA 0.029 4.369 4.340 0.001 0.000 0.201 30 Q C 1.404 177.430 176.000 0.043 0.000 0.955 30 Q CA 0.580 56.414 55.803 0.053 0.000 0.870 30 Q CB 0.217 28.980 28.738 0.041 0.000 0.945 30 Q HN 0.460 nan 8.270 nan 0.000 0.461 31 R N 0.206 120.709 120.500 0.004 0.000 2.313 31 R HA 0.139 4.480 4.340 0.001 0.000 0.199 31 R C 0.086 176.410 176.300 0.039 0.000 0.958 31 R CA -0.009 56.103 56.100 0.021 0.000 1.047 31 R CB 0.014 30.268 30.300 -0.077 0.000 0.955 31 R HN 0.155 nan 8.270 nan 0.000 0.481 32 L N 0.918 122.144 121.223 0.005 0.000 2.426 32 L HA 0.146 4.486 4.340 0.001 0.000 0.271 32 L C 0.380 177.294 176.870 0.074 0.000 1.169 32 L CA 0.415 55.271 54.840 0.027 0.000 0.836 32 L CB 1.133 43.194 42.059 0.003 0.000 1.112 32 L HN -0.082 nan 8.230 nan 0.000 0.465 33 T N 2.467 117.072 114.554 0.085 0.000 2.906 33 T HA 0.344 4.694 4.350 0.001 0.000 0.295 33 T C -2.062 172.681 174.700 0.072 0.000 1.075 33 T CA -1.041 61.105 62.100 0.076 0.000 1.005 33 T CB 2.338 71.251 68.868 0.074 0.000 1.136 33 T HN 0.296 nan 8.240 nan 0.000 0.498 34 P HA 0.082 nan 4.420 nan 0.000 0.233 34 P C 1.007 178.333 177.300 0.044 0.000 1.167 34 P CA 0.481 63.613 63.100 0.054 0.000 0.770 34 P CB 0.210 31.935 31.700 0.040 0.000 0.837 35 S N 0.214 115.938 115.700 0.040 0.000 2.446 35 S HA -0.061 4.409 4.470 0.001 0.000 0.225 35 S C 1.412 176.033 174.600 0.035 0.000 1.016 35 S CA 1.015 59.233 58.200 0.029 0.000 0.943 35 S CB -0.787 62.425 63.200 0.020 0.000 0.786 35 S HN 0.347 nan 8.310 nan 0.000 0.508 36 N N 0.365 119.098 118.700 0.055 0.000 2.230 36 N HA 0.161 4.901 4.740 0.001 0.000 0.202 36 N C 1.007 176.561 175.510 0.073 0.000 1.119 36 N CA -0.144 52.946 53.050 0.066 0.000 0.851 36 N CB -1.135 37.417 38.487 0.109 0.000 0.990 36 N HN 0.160 nan 8.380 nan 0.000 0.497 37 C N 0.908 120.254 119.300 0.077 0.000 2.359 37 C HA -0.167 4.293 4.460 0.001 0.000 0.277 37 C C 2.031 177.064 174.990 0.072 0.000 1.192 37 C CA 1.433 60.514 59.018 0.105 0.000 1.759 37 C CB -0.651 27.151 27.740 0.104 0.000 2.038 37 C HN 0.538 nan 8.230 nan 0.000 0.448 38 D N -0.178 120.238 120.400 0.026 0.000 2.144 38 D HA -0.144 4.497 4.640 0.001 0.000 0.199 38 D C 2.023 178.284 176.300 -0.065 0.000 0.984 38 D CA 1.135 55.118 54.000 -0.028 0.000 0.834 38 D CB -0.695 40.088 40.800 -0.028 0.000 0.955 38 D HN 0.690 nan 8.370 nan 0.000 0.465 39 E N 0.102 120.286 120.200 -0.026 0.000 2.110 39 E HA -0.166 4.184 4.350 0.001 0.000 0.193 39 E C 1.432 178.012 176.600 -0.033 0.000 0.988 39 E CA 0.619 57.002 56.400 -0.029 0.000 0.804 39 E CB 0.136 29.843 29.700 0.012 0.000 0.745 39 E HN 0.065 nan 8.360 nan 0.000 0.458 40 L N 0.065 121.290 121.223 0.004 0.000 2.592 40 L HA 0.138 4.479 4.340 0.001 0.000 0.227 40 L C 0.039 176.912 176.870 0.005 0.000 1.127 40 L CA 0.437 55.282 54.840 0.009 0.000 0.884 40 L CB -0.184 41.890 42.059 0.024 0.000 1.065 40 L HN 0.178 nan 8.230 nan 0.000 0.457 41 L N -1.726 119.468 121.223 -0.048 0.000 3.632 41 L HA -0.255 4.085 4.340 0.001 0.000 0.510 41 L C -0.497 176.456 176.870 0.139 0.000 1.299 41 L CA 0.762 55.553 54.840 -0.082 0.000 0.829 41 L CB -2.473 39.431 42.059 -0.257 0.000 1.559 41 L HN 0.002 nan 8.230 nan 0.000 0.857 42 F N -0.380 119.551 119.950 -0.032 0.000 2.562 42 F HA 0.383 4.911 4.527 0.001 0.000 0.319 42 F C 1.306 177.126 175.800 0.035 0.000 1.154 42 F CA -0.829 57.188 58.000 0.028 0.000 0.931 42 F CB 1.434 40.444 39.000 0.018 0.000 1.198 42 F HN 0.094 nan 8.300 nan 0.000 0.444 43 D N 2.112 122.399 120.400 -0.187 0.000 2.269 43 D HA -0.217 4.423 4.640 0.001 0.000 0.191 43 D C 0.186 176.505 176.300 0.032 0.000 1.007 43 D CA 2.091 56.041 54.000 -0.084 0.000 0.855 43 D CB 0.164 40.885 40.800 -0.131 0.000 0.979 43 D HN 0.563 nan 8.370 nan 0.000 0.452 44 D N -2.108 118.342 120.400 0.083 0.000 2.592 44 D HA 0.284 4.925 4.640 0.001 0.000 0.263 44 D C -1.299 175.166 176.300 0.276 0.000 1.132 44 D CA -0.684 53.405 54.000 0.147 0.000 0.996 44 D CB 1.905 42.760 40.800 0.093 0.000 1.442 44 D HN -0.149 nan 8.370 nan 0.000 0.486 45 V N 2.950 122.988 119.914 0.206 0.000 2.408 45 V HA 0.244 4.364 4.120 0.001 0.000 0.267 45 V C 0.814 177.041 176.094 0.222 0.000 1.047 45 V CA -0.407 62.020 62.300 0.210 0.000 0.937 45 V CB 0.168 32.071 31.823 0.134 0.000 0.999 45 V HN 0.385 nan 8.190 nan 0.000 0.472 46 I N 1.737 122.479 120.570 0.287 0.000 3.244 46 I HA 0.434 4.605 4.170 0.001 0.000 0.314 46 I C -0.366 175.941 176.117 0.316 0.000 1.043 46 I CA -0.664 60.812 61.300 0.294 0.000 1.099 46 I CB 0.875 39.077 38.000 0.335 0.000 1.449 46 I HN 0.630 nan 8.210 nan 0.000 0.625 47 W N 3.604 124.954 121.300 0.083 0.000 2.317 47 W HA 0.457 5.117 4.660 0.000 0.000 0.327 47 W C 0.297 176.838 176.519 0.036 0.000 1.036 47 W CA -1.317 56.060 57.345 0.053 0.000 1.419 47 W CB 0.102 29.589 29.460 0.045 0.000 1.253 47 W HN 0.430 nan 8.180 nan 0.000 0.392 48 V N 5.965 126.042 119.914 0.271 0.000 2.233 48 V HA -0.387 3.734 4.120 0.001 0.000 0.247 48 V C 2.086 178.105 176.094 -0.125 0.000 1.050 48 V CA 2.618 64.938 62.300 0.034 0.000 1.010 48 V CB -1.025 30.823 31.823 0.043 0.000 0.637 48 V HN 0.606 nan 8.190 nan 0.000 0.444 49 N N -0.013 118.616 118.700 -0.118 0.000 2.094 49 N HA -0.310 4.431 4.740 0.001 0.000 0.191 49 N C 1.989 177.245 175.510 -0.423 0.000 1.023 49 N CA 1.529 54.452 53.050 -0.212 0.000 0.857 49 N CB -0.191 38.237 38.487 -0.099 0.000 1.013 49 N HN 0.471 nan 8.380 nan 0.000 0.426 50 Q N 1.005 120.268 119.800 -0.894 0.000 2.172 50 Q HA 0.051 4.391 4.340 0.001 0.000 0.200 50 Q C 1.827 177.587 176.000 -0.400 0.000 0.964 50 Q CA 1.303 56.562 55.803 -0.907 0.000 0.855 50 Q CB -0.162 27.511 28.738 -1.776 0.000 0.918 50 Q HN 0.364 nan 8.270 nan 0.000 0.444 51 A N 0.590 123.247 122.820 -0.271 0.000 1.930 51 A HA -0.155 4.165 4.320 0.001 0.000 0.217 51 A C 1.859 179.405 177.584 -0.063 0.000 1.175 51 A CA 1.441 53.420 52.037 -0.096 0.000 0.627 51 A CB -0.347 18.617 19.000 -0.060 0.000 0.815 51 A HN 0.331 nan 8.150 nan 0.000 0.443 52 K N -0.378 119.946 120.400 -0.127 0.000 2.148 52 K HA -0.097 4.223 4.320 0.001 0.000 0.204 52 K C 2.181 178.802 176.600 0.036 0.000 1.050 52 K CA 1.231 57.468 56.287 -0.084 0.000 0.942 52 K CB -0.166 32.239 32.500 -0.158 0.000 0.724 52 K HN 0.424 nan 8.250 nan 0.000 0.446 53 R N 1.048 121.538 120.500 -0.018 0.000 2.062 53 R HA -0.085 4.255 4.340 0.001 0.000 0.229 53 R C 1.869 178.242 176.300 0.122 0.000 1.128 53 R CA 1.437 57.572 56.100 0.058 0.000 0.960 53 R CB -0.188 30.088 30.300 -0.039 0.000 0.855 53 R HN 0.154 nan 8.270 nan 0.000 0.432 54 D N -0.351 120.089 120.400 0.067 0.000 2.182 54 D HA -0.188 4.452 4.640 0.001 0.000 0.201 54 D C 1.759 178.174 176.300 0.191 0.000 0.986 54 D CA 1.164 55.224 54.000 0.100 0.000 0.847 54 D CB -0.290 40.553 40.800 0.072 0.000 0.942 54 D HN 0.346 nan 8.370 nan 0.000 0.467 55 H N -0.327 118.822 119.070 0.132 0.000 2.363 55 H HA -0.068 4.489 4.556 0.001 0.000 0.301 55 H C 1.997 177.480 175.328 0.258 0.000 1.074 55 H CA 0.782 56.956 56.048 0.210 0.000 1.354 55 H CB -0.478 29.367 29.762 0.140 0.000 1.397 55 H HN 0.164 nan 8.280 nan 0.000 0.516 56 F N 1.339 121.404 119.950 0.192 0.000 2.216 56 F HA -0.216 4.311 4.527 0.001 0.000 0.300 56 F C 2.333 178.156 175.800 0.038 0.000 1.085 56 F CA 1.593 59.651 58.000 0.097 0.000 1.326 56 F CB 0.030 39.062 39.000 0.053 0.000 1.027 56 F HN 0.293 nan 8.300 nan 0.000 0.497 57 D N -0.220 120.169 120.400 -0.018 0.000 2.097 57 D HA -0.270 4.370 4.640 0.001 0.000 0.197 57 D C 2.116 178.381 176.300 -0.058 0.000 0.984 57 D CA 1.316 55.257 54.000 -0.098 0.000 0.826 57 D CB -0.469 40.339 40.800 0.013 0.000 0.973 57 D HN 0.258 nan 8.370 nan 0.000 0.460 58 F N 0.976 120.839 119.950 -0.144 0.000 2.065 58 F HA -0.177 4.350 4.527 0.001 0.000 0.298 58 F C 2.127 177.806 175.800 -0.201 0.000 1.112 58 F CA 1.082 58.987 58.000 -0.158 0.000 1.212 58 F CB -0.917 37.972 39.000 -0.185 0.000 0.975 58 F HN -0.049 nan 8.300 nan 0.000 0.476 59 V N 0.140 119.811 119.914 -0.405 0.000 2.255 59 V HA -0.364 3.757 4.120 0.001 0.000 0.247 59 V C 2.406 178.266 176.094 -0.389 0.000 1.051 59 V CA 2.613 64.642 62.300 -0.452 0.000 1.018 59 V CB -1.062 30.654 31.823 -0.179 0.000 0.641 59 V HN 0.469 nan 8.190 nan 0.000 0.445 60 T N -0.530 113.751 114.554 -0.454 0.000 2.788 60 T HA -0.221 4.129 4.350 0.001 0.000 0.268 60 T C 1.855 176.403 174.700 -0.252 0.000 1.044 60 T CA 1.513 63.366 62.100 -0.411 0.000 1.139 60 T CB -0.241 68.301 68.868 -0.545 0.000 0.867 60 T HN 0.494 nan 8.240 nan 0.000 0.454 61 K N 0.524 120.798 120.400 -0.209 0.000 2.147 61 K HA 0.065 4.385 4.320 0.001 0.000 0.205 61 K C 2.304 178.818 176.600 -0.143 0.000 1.049 61 K CA 1.095 57.303 56.287 -0.130 0.000 0.936 61 K CB -0.184 32.282 32.500 -0.056 0.000 0.722 61 K HN 0.366 nan 8.250 nan 0.000 0.446 62 M N -0.089 119.379 119.600 -0.221 0.000 2.193 62 M HA -0.072 4.408 4.480 0.001 0.000 0.265 62 M C 2.118 178.326 176.300 -0.154 0.000 1.071 62 M CA 1.310 56.489 55.300 -0.201 0.000 1.140 62 M CB -0.083 32.336 32.600 -0.303 0.000 1.369 62 M HN 0.027 nan 8.290 nan 0.000 0.423 63 R N 0.384 120.785 120.500 -0.165 0.000 2.127 63 R HA -0.140 4.201 4.340 0.001 0.000 0.238 63 R C 1.750 177.993 176.300 -0.094 0.000 1.134 63 R CA 1.153 57.181 56.100 -0.120 0.000 0.975 63 R CB -0.254 29.974 30.300 -0.120 0.000 0.865 63 R HN 0.479 nan 8.270 nan 0.000 0.447 64 E N -0.145 119.995 120.200 -0.100 0.000 2.418 64 E HA -0.162 4.188 4.350 0.001 0.000 0.197 64 E C 1.417 177.981 176.600 -0.061 0.000 1.026 64 E CA 0.578 56.933 56.400 -0.075 0.000 0.862 64 E CB 0.084 29.739 29.700 -0.075 0.000 0.799 64 E HN 0.069 nan 8.360 nan 0.000 0.518 65 R N -0.180 120.281 120.500 -0.066 0.000 2.359 65 R HA 0.064 4.404 4.340 0.001 0.000 0.231 65 R C 0.887 177.156 176.300 -0.051 0.000 0.913 65 R CA 0.740 56.808 56.100 -0.053 0.000 1.075 65 R CB 0.076 30.345 30.300 -0.052 0.000 1.087 65 R HN 0.170 nan 8.270 nan 0.000 0.515 66 G N 0.556 109.323 108.800 -0.056 0.000 2.148 66 G HA2 -0.273 3.688 3.960 0.001 0.000 0.254 66 G HA3 -0.273 3.688 3.960 0.001 0.000 0.254 66 G C 0.127 174.993 174.900 -0.057 0.000 0.981 66 G CA 0.331 45.400 45.100 -0.052 0.000 0.670 66 G HN 0.306 nan 8.290 nan 0.000 0.528 67 I N 0.739 121.268 120.570 -0.069 0.000 2.575 67 I HA 0.237 4.408 4.170 0.001 0.000 0.285 67 I C 0.475 176.546 176.117 -0.077 0.000 1.085 67 I CA -0.163 61.093 61.300 -0.075 0.000 1.403 67 I CB 0.888 38.833 38.000 -0.091 0.000 1.409 67 I HN 0.145 nan 8.210 nan 0.000 0.557 68 D N 6.059 126.415 120.400 -0.073 0.000 2.468 68 D HA 0.220 4.860 4.640 0.001 0.000 0.218 68 D C -0.716 175.544 176.300 -0.066 0.000 1.155 68 D CA -0.272 53.688 54.000 -0.066 0.000 0.924 68 D CB 0.604 41.364 40.800 -0.067 0.000 1.029 68 D HN 0.100 nan 8.370 nan 0.000 0.515 69 V N 5.142 125.016 119.914 -0.067 0.000 2.427 69 V HA 0.213 4.333 4.120 0.001 0.000 0.268 69 V C 0.346 176.429 176.094 -0.017 0.000 1.046 69 V CA -0.417 61.843 62.300 -0.066 0.000 0.970 69 V CB 0.768 32.525 31.823 -0.110 0.000 1.001 69 V HN 0.467 nan 8.190 nan 0.000 0.476 70 L N 4.572 125.798 121.223 0.005 0.000 2.280 70 L HA 0.518 4.858 4.340 0.001 0.000 0.287 70 L C 0.065 176.974 176.870 0.065 0.000 1.023 70 L CA -0.567 54.296 54.840 0.038 0.000 0.819 70 L CB 1.540 43.630 42.059 0.053 0.000 1.212 70 L HN 0.571 nan 8.230 nan 0.000 0.420 71 E N 3.116 123.364 120.200 0.080 0.000 2.223 71 E HA 0.083 4.434 4.350 0.001 0.000 0.282 71 E C 0.848 177.491 176.600 0.071 0.000 1.046 71 E CA -0.076 56.394 56.400 0.115 0.000 0.857 71 E CB 1.275 31.058 29.700 0.139 0.000 1.055 71 E HN 0.602 nan 8.360 nan 0.000 0.409 72 M N 4.232 123.858 119.600 0.043 0.000 2.143 72 M HA -0.282 4.199 4.480 0.001 0.000 0.258 72 M C 0.747 176.968 176.300 -0.132 0.000 1.071 72 M CA 1.958 57.218 55.300 -0.067 0.000 1.088 72 M CB -0.170 32.354 32.600 -0.128 0.000 1.360 72 M HN 0.806 nan 8.290 nan 0.000 0.404 73 H N -0.556 118.497 119.070 -0.029 0.000 2.423 73 H HA -0.057 4.499 4.556 0.001 0.000 0.297 73 H C 1.777 177.081 175.328 -0.041 0.000 1.075 73 H CA 1.840 57.862 56.048 -0.043 0.000 1.342 73 H CB -0.201 29.525 29.762 -0.060 0.000 1.395 73 H HN 0.457 nan 8.280 nan 0.000 0.530 74 N N 0.091 118.842 118.700 0.086 0.000 2.080 74 N HA -0.096 4.645 4.740 0.001 0.000 0.189 74 N C 1.750 177.257 175.510 -0.005 0.000 1.036 74 N CA 0.772 53.847 53.050 0.041 0.000 0.846 74 N CB -0.304 38.208 38.487 0.041 0.000 1.015 74 N HN 0.201 nan 8.380 nan 0.000 0.423 75 L N 0.330 121.510 121.223 -0.072 0.000 2.013 75 L HA -0.191 4.150 4.340 0.001 0.000 0.212 75 L C 2.288 179.070 176.870 -0.148 0.000 1.073 75 L CA 0.943 55.641 54.840 -0.238 0.000 0.753 75 L CB -0.497 41.427 42.059 -0.224 0.000 0.890 75 L HN 0.321 nan 8.230 nan 0.000 0.432 76 L N -0.381 120.795 121.223 -0.080 0.000 1.994 76 L HA -0.204 4.137 4.340 0.001 0.000 0.208 76 L C 2.518 179.390 176.870 0.004 0.000 1.071 76 L CA 2.249 57.066 54.840 -0.038 0.000 0.745 76 L CB -0.958 41.062 42.059 -0.066 0.000 0.892 76 L HN 0.307 nan 8.230 nan 0.000 0.431 77 T N 0.227 114.787 114.554 0.010 0.000 2.665 77 T HA -0.241 4.110 4.350 0.001 0.000 0.268 77 T C 1.681 176.405 174.700 0.039 0.000 1.035 77 T CA 1.985 64.097 62.100 0.020 0.000 1.151 77 T CB -0.170 68.710 68.868 0.020 0.000 0.862 77 T HN 0.468 nan 8.240 nan 0.000 0.438 78 E N 0.236 120.478 120.200 0.070 0.000 2.107 78 E HA -0.060 4.290 4.350 0.001 0.000 0.191 78 E C 2.484 179.183 176.600 0.166 0.000 0.982 78 E CA 1.195 57.674 56.400 0.131 0.000 0.809 78 E CB -0.171 29.663 29.700 0.224 0.000 0.756 78 E HN 0.408 nan 8.360 nan 0.000 0.459 79 T N 2.243 116.901 114.554 0.173 0.000 2.708 79 T HA -0.128 4.222 4.350 0.001 0.000 0.266 79 T C 2.019 176.751 174.700 0.054 0.000 1.037 79 T CA 1.302 63.505 62.100 0.172 0.000 1.146 79 T CB -0.347 68.620 68.868 0.165 0.000 0.865 79 T HN 0.326 nan 8.240 nan 0.000 0.435 80 I N 0.002 120.587 120.570 0.024 0.000 3.241 80 I HA 0.023 4.193 4.170 0.001 0.000 0.280 80 I C 1.883 177.989 176.117 -0.017 0.000 1.320 80 I CA 0.909 62.200 61.300 -0.014 0.000 1.413 80 I CB -0.615 37.380 38.000 -0.008 0.000 1.060 80 I HN 0.182 nan 8.210 nan 0.000 0.500 81 Q N 1.260 121.062 119.800 0.003 0.000 2.389 81 Q HA 0.027 4.367 4.340 0.001 0.000 0.204 81 Q C 0.543 176.536 176.000 -0.013 0.000 0.944 81 Q CA 0.159 55.961 55.803 -0.001 0.000 0.908 81 Q CB -0.026 28.721 28.738 0.014 0.000 1.002 81 Q HN 0.496 nan 8.270 nan 0.000 0.493 82 N N 1.336 120.021 118.700 -0.025 0.000 2.415 82 N HA 0.063 4.803 4.740 0.001 0.000 0.246 82 N C -2.202 173.250 175.510 -0.098 0.000 1.078 82 N CA -1.974 51.047 53.050 -0.048 0.000 0.942 82 N CB 1.273 39.731 38.487 -0.048 0.000 1.140 82 N HN -0.175 nan 8.380 nan 0.000 0.501 83 P HA -0.239 nan 4.420 nan 0.000 0.217 83 P C 1.009 178.251 177.300 -0.097 0.000 1.162 83 P CA 1.511 64.575 63.100 -0.061 0.000 0.901 83 P CB 0.277 31.959 31.700 -0.030 0.000 0.793 84 E N -0.502 119.633 120.200 -0.109 0.000 2.070 84 E HA -0.265 4.085 4.350 0.001 0.000 0.197 84 E C 1.935 178.278 176.600 -0.429 0.000 1.004 84 E CA 1.566 57.879 56.400 -0.144 0.000 0.805 84 E CB -0.730 28.936 29.700 -0.056 0.000 0.744 84 E HN 0.089 nan 8.360 nan 0.000 0.451 85 A N 1.515 123.901 122.820 -0.723 0.000 1.892 85 A HA -0.205 4.115 4.320 0.001 0.000 0.218 85 A C 2.321 179.635 177.584 -0.449 0.000 1.188 85 A CA 1.511 52.827 52.037 -1.201 0.000 0.631 85 A CB -0.867 17.722 19.000 -0.685 0.000 0.822 85 A HN 0.469 nan 8.150 nan 0.000 0.447 86 L N -0.763 120.335 121.223 -0.209 0.000 2.093 86 L HA -0.170 4.171 4.340 0.001 0.000 0.208 86 L C 2.605 179.474 176.870 -0.002 0.000 1.085 86 L CA 2.146 56.950 54.840 -0.060 0.000 0.755 86 L CB -0.396 41.635 42.059 -0.047 0.000 0.904 86 L HN 0.538 nan 8.230 nan 0.000 0.435 87 K N -0.710 119.683 120.400 -0.011 0.000 2.057 87 K HA -0.279 4.041 4.320 0.001 0.000 0.207 87 K C 2.020 178.676 176.600 0.092 0.000 1.049 87 K CA 1.832 58.138 56.287 0.031 0.000 0.931 87 K CB -0.404 32.114 32.500 0.029 0.000 0.714 87 K HN 0.361 nan 8.250 nan 0.000 0.440 88 W N 1.693 122.953 121.300 -0.067 0.000 2.321 88 W HA -0.214 4.446 4.660 0.001 0.000 0.306 88 W C 1.589 178.132 176.519 0.040 0.000 1.217 88 W CA 1.783 59.146 57.345 0.031 0.000 1.257 88 W CB -0.122 29.412 29.460 0.124 0.000 1.145 88 W HN 0.019 nan 8.180 nan 0.000 0.509 89 I N -0.230 120.525 120.570 0.310 0.000 2.162 89 I HA -0.321 3.849 4.170 0.001 0.000 0.238 89 I C 2.362 178.482 176.117 0.006 0.000 1.076 89 I CA 1.306 62.707 61.300 0.169 0.000 1.353 89 I CB -0.957 37.169 38.000 0.211 0.000 1.063 89 I HN -0.060 nan 8.210 nan 0.000 0.408 90 L N 0.383 121.617 121.223 0.018 0.000 2.131 90 L HA -0.221 4.119 4.340 0.001 0.000 0.210 90 L C 1.964 178.814 176.870 -0.035 0.000 1.092 90 L CA 1.068 55.907 54.840 -0.001 0.000 0.759 90 L CB -0.752 41.314 42.059 0.012 0.000 0.903 90 L HN 0.275 nan 8.230 nan 0.000 0.435 91 D N 0.150 120.513 120.400 -0.062 0.000 2.263 91 D HA -0.129 4.511 4.640 0.001 0.000 0.208 91 D C 2.257 178.477 176.300 -0.133 0.000 0.971 91 D CA 1.068 55.014 54.000 -0.089 0.000 0.867 91 D CB 0.071 40.806 40.800 -0.109 0.000 0.929 91 D HN 0.345 nan 8.370 nan 0.000 0.492 92 R N -0.425 119.965 120.500 -0.184 0.000 2.225 92 R HA 0.178 4.518 4.340 0.001 0.000 0.194 92 R C 2.026 178.261 176.300 -0.109 0.000 0.957 92 R CA 0.174 56.155 56.100 -0.198 0.000 1.042 92 R CB 0.396 30.483 30.300 -0.355 0.000 1.004 92 R HN -0.031 nan 8.270 nan 0.000 0.509 93 K N 0.809 121.167 120.400 -0.071 0.000 2.284 93 K HA 0.165 4.485 4.320 0.001 0.000 0.198 93 K C 0.108 176.704 176.600 -0.007 0.000 1.048 93 K CA 0.557 56.829 56.287 -0.025 0.000 0.987 93 K CB 0.561 33.062 32.500 0.000 0.000 0.800 93 K HN 0.019 nan 8.250 nan 0.000 0.486 94 I N 2.566 123.130 120.570 -0.010 0.000 2.503 94 I HA 0.092 4.262 4.170 0.001 0.000 0.277 94 I C -0.289 175.826 176.117 -0.003 0.000 1.078 94 I CA -0.587 60.716 61.300 0.005 0.000 1.184 94 I CB 1.321 39.332 38.000 0.018 0.000 1.353 94 I HN 0.079 nan 8.210 nan 0.000 0.490 95 T N 0.491 115.043 114.554 -0.005 0.000 2.883 95 T HA 0.629 4.979 4.350 0.001 0.000 0.284 95 T C 1.120 175.821 174.700 0.001 0.000 1.041 95 T CA -0.155 61.940 62.100 -0.008 0.000 1.007 95 T CB 2.012 70.868 68.868 -0.019 0.000 1.220 95 T HN 0.258 nan 8.240 nan 0.000 0.552 96 A N 0.457 123.277 122.820 -0.000 0.000 1.933 96 A HA -0.040 4.281 4.320 0.001 0.000 0.218 96 A C 1.890 179.478 177.584 0.007 0.000 1.175 96 A CA 1.769 53.809 52.037 0.005 0.000 0.628 96 A CB -1.135 17.866 19.000 0.002 0.000 0.814 96 A HN 0.879 nan 8.150 nan 0.000 0.444 97 D N -0.088 120.313 120.400 0.002 0.000 2.178 97 D HA -0.106 4.535 4.640 0.001 0.000 0.202 97 D C 2.363 178.668 176.300 0.009 0.000 0.974 97 D CA 1.761 55.763 54.000 0.003 0.000 0.841 97 D CB -0.162 40.635 40.800 -0.004 0.000 0.953 97 D HN 0.623 nan 8.370 nan 0.000 0.478 98 S N -0.746 114.961 115.700 0.011 0.000 2.475 98 S HA 0.030 4.500 4.470 0.001 0.000 0.224 98 S C 1.873 176.492 174.600 0.032 0.000 1.042 98 S CA 0.105 58.317 58.200 0.020 0.000 0.935 98 S CB 0.199 63.409 63.200 0.016 0.000 0.801 98 S HN 0.070 nan 8.310 nan 0.000 0.509 99 V N 0.947 120.878 119.914 0.029 0.000 3.570 99 V HA 0.500 4.620 4.120 0.001 0.000 0.257 99 V C 1.097 177.212 176.094 0.035 0.000 1.272 99 V CA 0.423 62.744 62.300 0.035 0.000 1.079 99 V CB -0.440 31.402 31.823 0.031 0.000 0.829 99 V HN 0.863 nan 8.190 nan 0.000 0.454 100 G N 1.224 110.041 108.800 0.029 0.000 2.907 100 G HA2 -0.089 3.871 3.960 0.001 0.000 0.686 100 G HA3 -0.089 3.871 3.960 0.001 0.000 0.686 100 G C -0.046 174.867 174.900 0.022 0.000 1.115 100 G CA -0.296 44.823 45.100 0.031 0.000 0.760 100 G HN 0.505 nan 8.290 nan 0.000 0.620 101 L N 0.580 121.814 121.223 0.018 0.000 2.349 101 L HA 0.258 4.599 4.340 0.001 0.000 0.220 101 L C 2.411 179.286 176.870 0.008 0.000 1.130 101 L CA 2.601 57.448 54.840 0.011 0.000 0.791 101 L CB -0.911 41.154 42.059 0.009 0.000 0.918 101 L HN 1.081 nan 8.230 nan 0.000 0.444 102 G N -0.459 108.346 108.800 0.009 0.000 2.744 102 G HA2 0.197 4.157 3.960 0.001 0.000 0.211 102 G HA3 0.197 4.157 3.960 0.001 0.000 0.211 102 G C 1.028 175.923 174.900 -0.008 0.000 1.143 102 G CA 0.505 45.604 45.100 -0.002 0.000 0.788 102 G HN 0.454 nan 8.290 nan 0.000 0.534 103 L N 0.399 121.620 121.223 -0.002 0.000 3.259 103 L HA 0.188 4.528 4.340 0.001 0.000 0.292 103 L C 2.345 179.219 176.870 0.007 0.000 1.219 103 L CA 0.713 55.549 54.840 -0.007 0.000 1.035 103 L CB 0.444 42.494 42.059 -0.016 0.000 1.424 103 L HN 0.124 nan 8.230 nan 0.000 0.603 104 T N -3.153 111.409 114.554 0.012 0.000 2.652 104 T HA -0.187 4.164 4.350 0.001 0.000 0.267 104 T C 1.955 176.671 174.700 0.026 0.000 1.039 104 T CA 1.924 64.035 62.100 0.019 0.000 1.153 104 T CB -0.591 68.285 68.868 0.013 0.000 0.863 104 T HN 0.267 nan 8.240 nan 0.000 0.428 105 S N 2.683 118.395 115.700 0.021 0.000 2.356 105 S HA -0.144 4.326 4.470 0.001 0.000 0.223 105 S C 2.156 176.781 174.600 0.042 0.000 1.032 105 S CA 1.458 59.674 58.200 0.027 0.000 1.005 105 S CB -0.526 62.685 63.200 0.018 0.000 0.867 105 S HN 0.885 nan 8.310 nan 0.000 0.449 106 E N 1.335 121.551 120.200 0.028 0.000 2.204 106 E HA -0.019 4.332 4.350 0.001 0.000 0.194 106 E C 2.008 178.653 176.600 0.075 0.000 0.989 106 E CA 0.582 57.001 56.400 0.033 0.000 0.824 106 E CB -0.322 29.365 29.700 -0.021 0.000 0.756 106 E HN 0.339 nan 8.360 nan 0.000 0.477 107 L N 1.172 122.439 121.223 0.073 0.000 2.049 107 L HA -0.059 4.282 4.340 0.001 0.000 0.203 107 L C 2.735 179.727 176.870 0.204 0.000 1.074 107 L CA 1.472 56.397 54.840 0.140 0.000 0.749 107 L CB -0.359 41.751 42.059 0.086 0.000 0.907 107 L HN 0.104 nan 8.230 nan 0.000 0.439 108 R N 0.324 120.895 120.500 0.118 0.000 2.103 108 R HA -0.217 4.124 4.340 0.001 0.000 0.234 108 R C 2.690 179.048 176.300 0.096 0.000 1.132 108 R CA 2.670 58.824 56.100 0.090 0.000 0.925 108 R CB -0.470 29.862 30.300 0.053 0.000 0.842 108 R HN 0.615 nan 8.270 nan 0.000 0.430 109 S N -0.472 115.288 115.700 0.100 0.000 2.365 109 S HA -0.259 4.211 4.470 0.001 0.000 0.221 109 S C 1.922 176.604 174.600 0.137 0.000 1.037 109 S CA 1.317 59.573 58.200 0.093 0.000 1.060 109 S CB -1.303 61.950 63.200 0.089 0.000 0.974 109 S HN 0.648 nan 8.310 nan 0.000 0.427 110 W N 2.375 123.670 121.300 -0.008 0.000 2.290 110 W HA -0.177 4.483 4.660 0.001 0.000 0.318 110 W C 2.032 178.551 176.519 0.000 0.000 1.248 110 W CA 1.892 59.232 57.345 -0.009 0.000 1.263 110 W CB -0.722 28.720 29.460 -0.029 0.000 1.147 110 W HN 0.340 nan 8.180 nan 0.000 0.494 111 L N -0.004 121.216 121.223 -0.005 0.000 2.046 111 L HA -0.215 4.126 4.340 0.001 0.000 0.208 111 L C 2.426 179.179 176.870 -0.196 0.000 1.077 111 L CA 1.913 56.602 54.840 -0.251 0.000 0.747 111 L CB -1.009 41.026 42.059 -0.040 0.000 0.896 111 L HN -0.000 nan 8.230 nan 0.000 0.432 112 E N -0.254 119.900 120.200 -0.076 0.000 2.267 112 E HA -0.198 4.153 4.350 0.001 0.000 0.197 112 E C 2.178 178.730 176.600 -0.080 0.000 0.998 112 E CA 1.334 57.699 56.400 -0.058 0.000 0.830 112 E CB -0.001 29.690 29.700 -0.015 0.000 0.751 112 E HN 0.513 nan 8.360 nan 0.000 0.491 113 S N -0.118 115.513 115.700 -0.114 0.000 2.496 113 S HA 0.018 4.489 4.470 0.001 0.000 0.224 113 S C 0.928 175.439 174.600 -0.148 0.000 0.996 113 S CA -0.136 58.003 58.200 -0.102 0.000 0.927 113 S CB -0.073 63.094 63.200 -0.056 0.000 0.774 113 S HN 0.012 nan 8.310 nan 0.000 0.524 114 L N 1.468 122.545 121.223 -0.243 0.000 2.475 114 L HA 0.438 4.778 4.340 0.001 0.000 0.253 114 L C 0.544 177.340 176.870 -0.123 0.000 1.198 114 L CA -0.582 54.130 54.840 -0.213 0.000 0.814 114 L CB 0.269 42.142 42.059 -0.309 0.000 1.134 114 L HN 0.120 nan 8.230 nan 0.000 0.478 115 E N 1.547 121.689 120.200 -0.096 0.000 2.259 115 E HA 0.125 4.475 4.350 0.001 0.000 0.281 115 E C -1.774 174.784 176.600 -0.069 0.000 1.037 115 E CA -1.630 54.729 56.400 -0.068 0.000 0.854 115 E CB 1.157 30.823 29.700 -0.056 0.000 1.051 115 E HN 0.172 nan 8.360 nan 0.000 0.409 116 P HA -0.334 nan 4.420 nan 0.000 0.225 116 P C 0.974 178.250 177.300 -0.040 0.000 1.154 116 P CA 2.028 65.105 63.100 -0.039 0.000 0.933 116 P CB 0.122 31.808 31.700 -0.023 0.000 0.790 117 R N 0.453 120.926 120.500 -0.045 0.000 2.081 117 R HA -0.112 4.229 4.340 0.001 0.000 0.235 117 R C 1.979 178.228 176.300 -0.085 0.000 1.131 117 R CA 1.899 57.969 56.100 -0.050 0.000 0.960 117 R CB -1.024 29.241 30.300 -0.058 0.000 0.856 117 R HN 0.106 nan 8.270 nan 0.000 0.436 118 K N -0.012 120.319 120.400 -0.116 0.000 2.147 118 K HA -0.087 4.234 4.320 0.001 0.000 0.205 118 K C 2.065 178.563 176.600 -0.170 0.000 1.049 118 K CA 1.326 57.496 56.287 -0.196 0.000 0.936 118 K CB -0.193 32.204 32.500 -0.173 0.000 0.722 118 K HN 0.211 nan 8.250 nan 0.000 0.446 119 L N 0.381 121.557 121.223 -0.078 0.000 2.027 119 L HA -0.177 4.163 4.340 0.001 0.000 0.206 119 L C 2.400 179.281 176.870 0.018 0.000 1.074 119 L CA 1.167 55.996 54.840 -0.018 0.000 0.745 119 L CB -0.338 41.696 42.059 -0.042 0.000 0.898 119 L HN 0.178 nan 8.230 nan 0.000 0.433 120 A N -0.762 122.059 122.820 0.001 0.000 2.019 120 A HA -0.231 4.090 4.320 0.001 0.000 0.219 120 A C 2.055 179.679 177.584 0.067 0.000 1.164 120 A CA 1.613 53.667 52.037 0.028 0.000 0.644 120 A CB -0.415 18.604 19.000 0.032 0.000 0.805 120 A HN 0.508 nan 8.150 nan 0.000 0.449 121 E N -1.535 118.671 120.200 0.010 0.000 2.106 121 E HA -0.164 4.187 4.350 0.001 0.000 0.192 121 E C 1.702 178.290 176.600 -0.019 0.000 0.984 121 E CA 1.198 57.581 56.400 -0.029 0.000 0.806 121 E CB -0.217 29.331 29.700 -0.253 0.000 0.750 121 E HN 0.754 nan 8.360 nan 0.000 0.458 122 Y N 0.727 121.038 120.300 0.018 0.000 2.184 122 Y HA -0.100 4.451 4.550 0.001 0.000 0.290 122 Y C 2.115 178.024 175.900 0.016 0.000 1.129 122 Y CA 0.664 58.779 58.100 0.023 0.000 1.144 122 Y CB -0.478 37.993 38.460 0.019 0.000 0.995 122 Y HN 0.005 nan 8.280 nan 0.000 0.513 123 L N -0.757 120.566 121.223 0.166 0.000 2.043 123 L HA -0.259 4.081 4.340 0.001 0.000 0.212 123 L C 2.052 178.952 176.870 0.049 0.000 1.075 123 L CA 1.630 56.523 54.840 0.087 0.000 0.752 123 L CB -0.704 41.386 42.059 0.052 0.000 0.891 123 L HN 0.193 nan 8.230 nan 0.000 0.432 124 I N -0.580 120.012 120.570 0.036 0.000 2.584 124 I HA -0.054 4.117 4.170 0.001 0.000 0.255 124 I C 2.240 178.366 176.117 0.015 0.000 1.145 124 I CA 1.072 62.373 61.300 0.002 0.000 1.462 124 I CB -0.306 37.665 38.000 -0.047 0.000 1.102 124 I HN 0.157 nan 8.210 nan 0.000 0.433 125 G N 0.051 108.884 108.800 0.056 0.000 3.088 125 G HA2 0.452 4.412 3.960 0.001 0.000 0.217 125 G HA3 0.452 4.412 3.960 0.001 0.000 0.217 125 G C 0.780 175.664 174.900 -0.026 0.000 1.159 125 G CA 0.339 45.450 45.100 0.019 0.000 0.760 125 G HN 0.545 nan 8.290 nan 0.000 0.550 126 G N -1.387 107.411 108.800 -0.003 0.000 2.781 126 G HA2 0.087 4.048 3.960 0.001 0.000 0.683 126 G HA3 0.087 4.048 3.960 0.001 0.000 0.683 126 G C -0.895 174.029 174.900 0.040 0.000 1.390 126 G CA -0.369 44.683 45.100 -0.081 0.000 0.850 126 G HN 0.947 nan 8.290 nan 0.000 0.557 127 V N 0.688 120.603 119.914 0.002 0.000 2.668 127 V HA 0.781 4.902 4.120 0.001 0.000 0.304 127 V C 0.712 176.848 176.094 0.069 0.000 1.071 127 V CA 0.086 62.381 62.300 -0.007 0.000 0.894 127 V CB 1.224 33.033 31.823 -0.022 0.000 1.008 127 V HN 2.201 nan 8.190 nan 0.000 0.425 128 A N 3.292 126.167 122.820 0.091 0.000 2.263 128 A HA 0.910 5.230 4.320 0.001 0.000 0.318 128 A C 1.435 179.022 177.584 0.004 0.000 1.111 128 A CA 0.221 52.366 52.037 0.181 0.000 0.901 128 A CB 0.987 20.132 19.000 0.242 0.000 1.280 128 A HN 1.369 nan 8.150 nan 0.000 0.503 129 A N -0.550 122.270 122.820 -0.000 0.000 1.940 129 A HA -0.141 4.179 4.320 0.001 0.000 0.219 129 A C 1.364 178.878 177.584 -0.117 0.000 1.176 129 A CA 2.406 54.399 52.037 -0.073 0.000 0.631 129 A CB -0.921 18.047 19.000 -0.053 0.000 0.814 129 A HN 0.835 nan 8.150 nan 0.000 0.446 130 D N -0.139 120.219 120.400 -0.071 0.000 2.224 130 D HA -0.068 4.573 4.640 0.001 0.000 0.205 130 D C 1.176 177.409 176.300 -0.110 0.000 0.965 130 D CA 0.943 54.899 54.000 -0.073 0.000 0.852 130 D CB -0.053 40.736 40.800 -0.019 0.000 0.947 130 D HN 0.400 nan 8.370 nan 0.000 0.494 131 D N 0.382 120.699 120.400 -0.138 0.000 2.144 131 D HA -0.070 4.571 4.640 0.001 0.000 0.199 131 D C 0.900 176.891 176.300 -0.515 0.000 0.984 131 D CA 0.505 54.395 54.000 -0.184 0.000 0.834 131 D CB 0.070 40.763 40.800 -0.179 0.000 0.955 131 D HN 0.260 nan 8.370 nan 0.000 0.465 132 L N 1.529 122.320 121.223 -0.720 0.000 2.439 132 L HA 0.146 4.486 4.340 0.001 0.000 0.269 132 L C -1.903 174.661 176.870 -0.510 0.000 1.179 132 L CA -1.518 52.759 54.840 -0.939 0.000 0.828 132 L CB 0.499 42.147 42.059 -0.685 0.000 1.106 132 L HN -0.228 nan 8.230 nan 0.000 0.467 133 P HA 0.020 nan 4.420 nan 0.000 0.268 133 P C -0.857 176.339 177.300 -0.174 0.000 1.208 133 P CA -0.292 62.678 63.100 -0.216 0.000 0.777 133 P CB 0.519 32.130 31.700 -0.148 0.000 0.875 134 A N 2.153 124.906 122.820 -0.111 0.000 2.548 134 A HA 0.452 4.773 4.320 0.001 0.000 0.247 134 A C 0.547 178.080 177.584 -0.085 0.000 1.067 134 A CA 0.805 52.787 52.037 -0.092 0.000 0.757 134 A CB -0.809 18.154 19.000 -0.062 0.000 0.996 134 A HN 0.595 nan 8.150 nan 0.000 0.504 135 S N 1.122 116.768 115.700 -0.090 0.000 2.643 135 S HA 0.426 4.896 4.470 0.001 0.000 0.270 135 S C 0.454 175.007 174.600 -0.078 0.000 1.166 135 S CA -0.237 57.917 58.200 -0.077 0.000 0.815 135 S CB 0.554 63.704 63.200 -0.083 0.000 1.139 135 S HN 0.618 nan 8.310 nan 0.000 0.472 136 E N 0.765 120.924 120.200 -0.069 0.000 2.012 136 E HA -0.099 4.252 4.350 0.001 0.000 0.197 136 E C 2.063 178.608 176.600 -0.093 0.000 1.007 136 E CA 1.686 58.043 56.400 -0.073 0.000 0.816 136 E CB -0.994 28.671 29.700 -0.059 0.000 0.762 136 E HN 0.790 nan 8.360 nan 0.000 0.451 137 G N 1.493 110.242 108.800 -0.084 0.000 2.586 137 G HA2 -0.350 3.610 3.960 0.001 0.000 0.218 137 G HA3 -0.350 3.610 3.960 0.001 0.000 0.218 137 G C 1.738 176.570 174.900 -0.113 0.000 1.216 137 G CA 1.918 46.963 45.100 -0.091 0.000 0.786 137 G HN 0.402 nan 8.290 nan 0.000 0.583 138 A N 1.078 123.830 122.820 -0.113 0.000 1.881 138 A HA -0.260 4.060 4.320 0.001 0.000 0.219 138 A C 2.274 179.786 177.584 -0.119 0.000 1.215 138 A CA 2.224 54.187 52.037 -0.123 0.000 0.648 138 A CB -0.871 18.045 19.000 -0.140 0.000 0.832 138 A HN 0.470 nan 8.150 nan 0.000 0.455 139 N N -0.505 118.126 118.700 -0.115 0.000 2.149 139 N HA -0.134 4.607 4.740 0.001 0.000 0.188 139 N C 1.749 177.165 175.510 -0.155 0.000 1.019 139 N CA 1.793 54.777 53.050 -0.111 0.000 0.857 139 N CB -0.289 38.143 38.487 -0.091 0.000 0.997 139 N HN 0.602 nan 8.380 nan 0.000 0.426 140 I N 0.888 121.324 120.570 -0.224 0.000 2.353 140 I HA -0.176 3.994 4.170 0.001 0.000 0.248 140 I C 2.117 177.896 176.117 -0.563 0.000 1.119 140 I CA 0.378 61.430 61.300 -0.413 0.000 1.417 140 I CB -0.037 37.688 38.000 -0.458 0.000 1.078 140 I HN 0.108 nan 8.210 nan 0.000 0.421 141 L N 0.925 121.961 121.223 -0.313 0.000 2.131 141 L HA -0.202 4.138 4.340 0.001 0.000 0.210 141 L C 2.408 179.243 176.870 -0.058 0.000 1.092 141 L CA 1.896 56.656 54.840 -0.133 0.000 0.759 141 L CB -0.967 41.061 42.059 -0.051 0.000 0.903 141 L HN 0.319 nan 8.230 nan 0.000 0.435 142 K N -0.931 119.417 120.400 -0.088 0.000 2.062 142 K HA -0.155 4.166 4.320 0.001 0.000 0.205 142 K C 2.038 178.637 176.600 -0.002 0.000 1.051 142 K CA 0.943 57.205 56.287 -0.042 0.000 0.941 142 K CB -0.085 32.384 32.500 -0.052 0.000 0.719 142 K HN 0.138 nan 8.250 nan 0.000 0.440 143 M N 0.020 119.601 119.600 -0.032 0.000 2.202 143 M HA -0.188 4.292 4.480 0.001 0.000 0.262 143 M C 1.450 177.879 176.300 0.216 0.000 1.063 143 M CA 1.562 56.914 55.300 0.086 0.000 1.097 143 M CB 0.030 32.587 32.600 -0.072 0.000 1.382 143 M HN 0.086 nan 8.290 nan 0.000 0.413 144 Y N -0.645 119.671 120.300 0.027 0.000 2.263 144 Y HA -0.072 4.478 4.550 0.001 0.000 0.292 144 Y C 2.534 178.413 175.900 -0.034 0.000 1.130 144 Y CA 1.085 59.163 58.100 -0.036 0.000 1.179 144 Y CB -0.875 37.590 38.460 0.009 0.000 0.998 144 Y HN 0.269 nan 8.280 nan 0.000 0.532 145 R N 0.385 120.979 120.500 0.158 0.000 2.062 145 R HA -0.170 4.171 4.340 0.001 0.000 0.229 145 R C 2.108 178.413 176.300 0.008 0.000 1.128 145 R CA 1.561 57.697 56.100 0.060 0.000 0.960 145 R CB -0.063 30.237 30.300 0.001 0.000 0.855 145 R HN 0.178 nan 8.270 nan 0.000 0.432 146 E N -0.209 119.984 120.200 -0.011 0.000 2.023 146 E HA -0.207 4.143 4.350 0.001 0.000 0.196 146 E C 1.561 178.042 176.600 -0.200 0.000 1.003 146 E CA 1.940 58.246 56.400 -0.156 0.000 0.809 146 E CB -0.287 29.253 29.700 -0.268 0.000 0.755 146 E HN 0.457 nan 8.360 nan 0.000 0.449 147 Y N -1.075 119.207 120.300 -0.030 0.000 2.448 147 Y HA 0.212 4.762 4.550 0.001 0.000 0.289 147 Y C 1.641 177.491 175.900 -0.084 0.000 1.114 147 Y CA 0.421 58.494 58.100 -0.044 0.000 1.235 147 Y CB 0.415 38.856 38.460 -0.033 0.000 1.045 147 Y HN 0.001 nan 8.280 nan 0.000 0.554 148 L N -1.665 119.556 121.223 -0.002 0.000 2.766 148 L HA 0.362 4.702 4.340 0.001 0.000 0.242 148 L C 1.586 178.418 176.870 -0.062 0.000 1.136 148 L CA 0.486 55.214 54.840 -0.186 0.000 0.933 148 L CB 0.299 41.918 42.059 -0.734 0.000 1.241 148 L HN 0.289 nan 8.230 nan 0.000 0.522 149 G N -0.266 108.535 108.800 0.001 0.000 2.168 149 G HA2 -0.296 3.664 3.960 0.001 0.000 0.263 149 G HA3 -0.296 3.664 3.960 0.001 0.000 0.263 149 G C 0.185 175.163 174.900 0.130 0.000 0.977 149 G CA 0.168 45.297 45.100 0.048 0.000 0.659 149 G HN 0.383 nan 8.290 nan 0.000 0.533 150 H N 0.633 119.686 119.070 -0.029 0.000 2.929 150 H HA 0.443 4.999 4.556 0.001 0.000 0.358 150 H C 1.137 176.401 175.328 -0.108 0.000 1.111 150 H CA 0.376 56.389 56.048 -0.059 0.000 1.409 150 H CB 0.709 30.442 29.762 -0.047 0.000 1.373 150 H HN 0.286 nan 8.280 nan 0.000 0.610 151 S N 0.430 116.078 115.700 -0.086 0.000 2.573 151 S HA 0.099 4.569 4.470 0.001 0.000 0.277 151 S C 0.720 175.169 174.600 -0.251 0.000 1.346 151 S CA 0.026 58.052 58.200 -0.291 0.000 1.034 151 S CB 0.198 63.204 63.200 -0.323 0.000 0.879 151 S HN 0.713 nan 8.310 nan 0.000 0.528 152 S N 2.875 118.304 115.700 -0.451 0.000 2.741 152 S HA 0.370 4.841 4.470 0.001 0.000 0.247 152 S C -0.633 173.912 174.600 -0.092 0.000 1.050 152 S CA -0.655 57.430 58.200 -0.191 0.000 1.025 152 S CB -0.362 62.772 63.200 -0.111 0.000 0.897 152 S HN 0.453 nan 8.310 nan 0.000 0.508 153 F N 2.100 122.065 119.950 0.025 0.000 2.445 153 F HA 0.468 4.995 4.527 0.001 0.000 0.359 153 F C 1.323 177.130 175.800 0.011 0.000 1.101 153 F CA -1.831 56.176 58.000 0.012 0.000 1.177 153 F CB 0.360 39.369 39.000 0.014 0.000 1.110 153 F HN 0.061 nan 8.300 nan 0.000 0.522 154 L N 2.238 123.572 121.223 0.185 0.000 2.072 154 L HA -0.029 4.311 4.340 0.001 0.000 0.205 154 L C 0.221 177.157 176.870 0.111 0.000 1.079 154 L CA 0.959 55.861 54.840 0.103 0.000 0.752 154 L CB -0.121 41.966 42.059 0.047 0.000 0.906 154 L HN 0.313 nan 8.230 nan 0.000 0.436 155 L N 1.099 122.390 121.223 0.114 0.000 2.342 155 L HA 0.427 4.767 4.340 0.001 0.000 0.276 155 L C -2.274 174.611 176.870 0.025 0.000 0.997 155 L CA -2.202 52.681 54.840 0.071 0.000 0.838 155 L CB 1.411 43.505 42.059 0.058 0.000 1.224 155 L HN -0.218 nan 8.230 nan 0.000 0.416 156 P HA 0.280 nan 4.420 nan 0.000 0.275 156 P C -2.781 174.397 177.300 -0.204 0.000 1.228 156 P CA -1.472 61.559 63.100 -0.115 0.000 0.786 156 P CB 0.567 32.297 31.700 0.050 0.000 0.927 157 P HA 0.207 nan 4.420 nan 0.000 0.274 157 P C -0.548 176.640 177.300 -0.186 0.000 1.231 157 P CA 0.004 62.935 63.100 -0.282 0.000 0.790 157 P CB 0.816 32.277 31.700 -0.399 0.000 0.951 158 L N 3.680 124.811 121.223 -0.153 0.000 2.502 158 L HA 0.265 4.605 4.340 0.001 0.000 0.247 158 L C -1.366 175.391 176.870 -0.188 0.000 1.180 158 L CA -1.596 53.180 54.840 -0.106 0.000 0.956 158 L CB 1.655 43.688 42.059 -0.044 0.000 1.282 158 L HN 0.222 nan 8.230 nan 0.000 0.470 159 P HA -0.080 nan 4.420 nan 0.000 0.229 159 P C 0.648 177.780 177.300 -0.281 0.000 1.160 159 P CA 0.966 63.582 63.100 -0.807 0.000 0.777 159 P CB 0.317 31.132 31.700 -1.476 0.000 0.814 160 N N -0.380 118.362 118.700 0.071 0.000 2.515 160 N HA -0.065 4.675 4.740 0.001 0.000 0.185 160 N C 1.544 177.179 175.510 0.208 0.000 1.109 160 N CA 1.082 54.334 53.050 0.335 0.000 0.903 160 N CB -0.572 38.159 38.487 0.407 0.000 0.969 160 N HN 0.242 nan 8.380 nan 0.000 0.450 161 T N -1.639 112.964 114.554 0.081 0.000 2.849 161 T HA -0.276 4.074 4.350 0.001 0.000 0.270 161 T C 1.674 176.399 174.700 0.042 0.000 1.066 161 T CA 0.923 63.057 62.100 0.056 0.000 1.130 161 T CB -0.294 68.570 68.868 -0.007 0.000 0.864 161 T HN 0.306 nan 8.240 nan 0.000 0.481 162 Q N 0.542 120.330 119.800 -0.019 0.000 2.248 162 Q HA -0.109 4.231 4.340 0.001 0.000 0.208 162 Q C -0.229 175.645 176.000 -0.211 0.000 0.984 162 Q CA 0.959 56.671 55.803 -0.151 0.000 0.875 162 Q CB -0.291 28.291 28.738 -0.259 0.000 0.910 162 Q HN 0.643 nan 8.270 nan 0.000 0.433 163 F N 1.394 121.485 119.950 0.235 0.000 2.395 163 F HA 0.187 4.714 4.527 0.001 0.000 0.347 163 F C 1.400 177.297 175.800 0.161 0.000 1.157 163 F CA -0.034 58.087 58.000 0.201 0.000 1.272 163 F CB 0.444 39.557 39.000 0.188 0.000 1.607 163 F HN 0.006 nan 8.300 nan 0.000 0.571 164 T N -2.226 112.487 114.554 0.265 0.000 2.946 164 T HA -0.278 4.072 4.350 0.001 0.000 0.271 164 T C 2.157 176.972 174.700 0.193 0.000 1.104 164 T CA 1.306 63.524 62.100 0.196 0.000 1.114 164 T CB -0.178 68.790 68.868 0.166 0.000 0.867 164 T HN 0.357 nan 8.240 nan 0.000 0.513 165 R N 1.695 122.320 120.500 0.208 0.000 2.148 165 R HA -0.054 4.287 4.340 0.001 0.000 0.227 165 R C 1.599 177.988 176.300 0.147 0.000 1.103 165 R CA 1.497 57.687 56.100 0.150 0.000 0.983 165 R CB -0.722 29.646 30.300 0.113 0.000 0.874 165 R HN 0.362 nan 8.270 nan 0.000 0.451 166 D N -0.854 119.651 120.400 0.175 0.000 2.078 166 D HA -0.154 4.486 4.640 0.001 0.000 0.193 166 D C 1.591 177.964 176.300 0.121 0.000 0.990 166 D CA 2.100 56.191 54.000 0.152 0.000 0.827 166 D CB -0.684 40.230 40.800 0.190 0.000 0.975 166 D HN 0.303 nan 8.370 nan 0.000 0.451 167 T N -1.014 113.608 114.554 0.114 0.000 3.067 167 T HA 0.030 4.380 4.350 0.001 0.000 0.261 167 T C 0.440 175.169 174.700 0.048 0.000 1.110 167 T CA 0.976 63.122 62.100 0.076 0.000 1.113 167 T CB -0.071 68.836 68.868 0.066 0.000 0.917 167 T HN 0.308 nan 8.240 nan 0.000 0.499 168 T N -1.261 113.332 114.554 0.064 0.000 2.894 168 T HA 0.620 4.971 4.350 0.001 0.000 0.309 168 T C -1.184 173.528 174.700 0.020 0.000 1.208 168 T CA -0.915 61.206 62.100 0.034 0.000 1.016 168 T CB 1.251 70.182 68.868 0.106 0.000 1.192 168 T HN 0.071 nan 8.240 nan 0.000 0.491 169 C N 1.741 120.985 119.300 -0.094 0.000 2.482 169 C HA 0.641 5.102 4.460 0.001 0.000 0.317 169 C C -0.968 173.877 174.990 -0.242 0.000 1.197 169 C CA -0.978 58.003 59.018 -0.061 0.000 1.432 169 C CB 0.262 28.009 27.740 0.012 0.000 2.062 169 C HN 0.965 nan 8.230 nan 0.000 0.471 170 W N 3.595 124.890 121.300 -0.008 0.000 2.331 170 W HA 0.667 5.327 4.660 0.001 0.000 0.306 170 W C -0.094 176.402 176.519 -0.038 0.000 1.162 170 W CA -0.465 56.850 57.345 -0.050 0.000 1.232 170 W CB 0.544 29.937 29.460 -0.111 0.000 1.235 170 W HN 0.413 nan 8.180 nan 0.000 0.479 171 I N 6.345 127.020 120.570 0.176 0.000 2.537 171 I HA 0.209 4.379 4.170 0.001 0.000 0.276 171 I C -0.400 175.889 176.117 0.288 0.000 1.063 171 I CA -0.778 60.568 61.300 0.077 0.000 1.144 171 I CB -0.027 38.055 38.000 0.137 0.000 1.252 171 I HN 0.608 nan 8.210 nan 0.000 0.480 172 Y N 3.141 123.545 120.300 0.173 0.000 2.903 172 Y HA -0.333 4.217 4.550 0.000 0.000 0.466 172 Y C 1.855 177.911 175.900 0.259 0.000 1.201 172 Y CA 0.656 58.839 58.100 0.139 0.000 2.493 172 Y CB -1.057 37.603 38.460 0.332 0.000 1.237 172 Y HN 0.598 nan 8.280 nan 0.000 0.633 173 G N 1.215 110.398 108.800 0.638 0.000 3.356 173 G HA2 0.433 4.394 3.960 0.001 0.000 0.239 173 G HA3 0.433 4.394 3.960 0.001 0.000 0.239 173 G C 0.148 175.185 174.900 0.229 0.000 1.252 173 G CA 0.842 46.205 45.100 0.438 0.000 1.611 173 G HN 1.019 nan 8.290 nan 0.000 0.580 174 G N -2.018 106.903 108.800 0.203 0.000 2.600 174 G HA2 0.552 4.513 3.960 0.001 0.000 0.293 174 G HA3 0.552 4.513 3.960 0.001 0.000 0.293 174 G C -1.944 172.715 174.900 -0.400 0.000 1.408 174 G CA -0.385 44.435 45.100 -0.466 0.000 0.782 174 G HN 0.674 nan 8.290 nan 0.000 0.482 175 V N 0.131 119.585 119.914 -0.767 0.000 2.808 175 V HA 0.800 4.920 4.120 0.001 0.000 0.308 175 V C -0.057 175.807 176.094 -0.384 0.000 1.099 175 V CA 0.093 61.870 62.300 -0.872 0.000 0.920 175 V CB 2.159 32.805 31.823 -1.961 0.000 1.014 175 V HN 1.471 nan 8.190 nan 0.000 0.425 176 T N 4.681 119.121 114.554 -0.189 0.000 2.907 176 T HA 0.668 5.019 4.350 0.001 0.000 0.284 176 T C -0.402 174.256 174.700 -0.070 0.000 1.004 176 T CA -0.588 61.506 62.100 -0.011 0.000 1.063 176 T CB 1.233 70.170 68.868 0.115 0.000 0.992 176 T HN 0.562 nan 8.240 nan 0.000 0.483 177 L N 3.286 124.474 121.223 -0.058 0.000 2.371 177 L HA 0.345 4.686 4.340 0.001 0.000 0.262 177 L C -0.107 176.694 176.870 -0.115 0.000 1.054 177 L CA -0.991 53.812 54.840 -0.063 0.000 0.924 177 L CB 0.150 42.179 42.059 -0.050 0.000 1.295 177 L HN 0.631 nan 8.230 nan 0.000 0.441 178 N N 3.717 122.387 118.700 -0.051 0.000 2.440 178 N HA 0.102 4.843 4.740 0.001 0.000 0.265 178 N C -2.415 173.054 175.510 -0.069 0.000 1.239 178 N CA -1.097 51.933 53.050 -0.034 0.000 0.909 178 N CB 0.407 38.913 38.487 0.030 0.000 1.066 178 N HN 0.191 nan 8.380 nan 0.000 0.474 179 P HA 0.180 nan 4.420 nan 0.000 0.281 179 P C -0.011 177.289 177.300 0.000 0.000 1.286 179 P CA -0.139 62.892 63.100 -0.115 0.000 0.772 179 P CB 0.548 32.094 31.700 -0.256 0.000 0.862 180 M N 3.235 122.861 119.600 0.043 0.000 2.233 180 M HA 0.101 4.582 4.480 0.001 0.000 0.350 180 M C 1.317 177.663 176.300 0.077 0.000 1.176 180 M CA -0.233 55.124 55.300 0.094 0.000 1.150 180 M CB 0.123 32.811 32.600 0.146 0.000 1.530 180 M HN 0.442 nan 8.290 nan 0.000 0.459 181 Y N 2.423 122.665 120.300 -0.096 0.000 2.097 181 Y HA -0.157 4.393 4.550 0.001 0.000 0.282 181 Y C 0.024 175.737 175.900 -0.311 0.000 1.152 181 Y CA 1.639 59.564 58.100 -0.292 0.000 1.136 181 Y CB 0.035 38.186 38.460 -0.516 0.000 0.975 181 Y HN 0.597 nan 8.280 nan 0.000 0.498 182 W N 1.773 123.191 121.300 0.197 0.000 2.304 182 W HA 0.222 4.882 4.660 0.001 0.000 0.313 182 W C -1.536 175.004 176.519 0.035 0.000 1.323 182 W CA -1.986 55.414 57.345 0.093 0.000 1.223 182 W CB 0.192 29.742 29.460 0.149 0.000 1.237 182 W HN 0.017 nan 8.180 nan 0.000 0.535 183 P HA -0.276 nan 4.420 nan 0.000 0.216 183 P C 1.634 179.023 177.300 0.149 0.000 1.150 183 P CA 2.553 65.734 63.100 0.135 0.000 0.837 183 P CB 0.081 31.834 31.700 0.090 0.000 0.786 184 A N 0.290 123.219 122.820 0.182 0.000 1.903 184 A HA -0.259 4.061 4.320 0.001 0.000 0.219 184 A C 2.119 179.776 177.584 0.123 0.000 1.191 184 A CA 1.737 53.851 52.037 0.128 0.000 0.638 184 A CB -1.173 17.888 19.000 0.102 0.000 0.823 184 A HN 0.145 nan 8.150 nan 0.000 0.451 185 R N -0.925 119.682 120.500 0.178 0.000 2.323 185 R HA 0.075 4.415 4.340 0.001 0.000 0.198 185 R C 1.736 178.110 176.300 0.124 0.000 0.988 185 R CA 0.325 56.522 56.100 0.161 0.000 1.041 185 R CB -0.107 30.332 30.300 0.232 0.000 0.926 185 R HN 0.495 nan 8.270 nan 0.000 0.476 186 R N 0.115 120.680 120.500 0.108 0.000 2.276 186 R HA -0.020 4.320 4.340 0.001 0.000 0.203 186 R C 1.636 177.972 176.300 0.059 0.000 1.017 186 R CA 0.426 56.573 56.100 0.077 0.000 1.010 186 R CB 0.143 30.483 30.300 0.067 0.000 0.900 186 R HN 0.141 nan 8.270 nan 0.000 0.469 187 Q N 0.790 120.625 119.800 0.059 0.000 2.224 187 Q HA -0.139 4.201 4.340 0.001 0.000 0.203 187 Q C 1.437 177.460 176.000 0.038 0.000 0.970 187 Q CA 1.410 57.239 55.803 0.042 0.000 0.865 187 Q CB 0.184 28.944 28.738 0.037 0.000 0.922 187 Q HN 0.481 nan 8.270 nan 0.000 0.445 188 E N -0.571 119.655 120.200 0.043 0.000 2.072 188 E HA -0.084 4.266 4.350 0.001 0.000 0.190 188 E C 1.935 178.543 176.600 0.013 0.000 0.982 188 E CA 1.383 57.799 56.400 0.027 0.000 0.803 188 E CB 0.052 29.781 29.700 0.049 0.000 0.755 188 E HN 0.264 nan 8.360 nan 0.000 0.453 189 T N 1.913 116.483 114.554 0.028 0.000 2.759 189 T HA -0.175 4.175 4.350 0.001 0.000 0.269 189 T C 1.865 176.582 174.700 0.028 0.000 1.042 189 T CA 0.990 63.097 62.100 0.011 0.000 1.140 189 T CB -0.236 68.647 68.868 0.025 0.000 0.864 189 T HN 0.067 nan 8.240 nan 0.000 0.455 190 L N 0.752 122.014 121.223 0.065 0.000 2.083 190 L HA 0.018 4.358 4.340 0.001 0.000 0.209 190 L C 2.045 179.021 176.870 0.177 0.000 1.083 190 L CA 1.584 56.508 54.840 0.139 0.000 0.752 190 L CB -0.558 41.552 42.059 0.084 0.000 0.899 190 L HN 0.252 nan 8.230 nan 0.000 0.433 191 L N -1.380 119.884 121.223 0.068 0.000 2.072 191 L HA -0.117 4.224 4.340 0.001 0.000 0.205 191 L C 2.292 179.114 176.870 -0.081 0.000 1.079 191 L CA 1.528 56.383 54.840 0.026 0.000 0.752 191 L CB -1.069 40.977 42.059 -0.021 0.000 0.906 191 L HN 0.226 nan 8.230 nan 0.000 0.436 192 T N -1.313 113.135 114.554 -0.177 0.000 2.951 192 T HA -0.123 4.227 4.350 0.001 0.000 0.268 192 T C 1.903 176.234 174.700 -0.613 0.000 1.073 192 T CA 1.508 63.343 62.100 -0.442 0.000 1.134 192 T CB -0.128 68.472 68.868 -0.448 0.000 0.884 192 T HN 0.290 nan 8.240 nan 0.000 0.479 193 T N 1.931 116.320 114.554 -0.276 0.000 2.777 193 T HA 0.028 4.379 4.350 0.001 0.000 0.266 193 T C 2.442 177.000 174.700 -0.237 0.000 1.040 193 T CA 1.067 63.061 62.100 -0.176 0.000 1.141 193 T CB -0.466 68.458 68.868 0.093 0.000 0.868 193 T HN 0.424 nan 8.240 nan 0.000 0.444 194 A N 1.266 124.015 122.820 -0.119 0.000 1.908 194 A HA -0.048 4.272 4.320 0.001 0.000 0.218 194 A C 2.270 179.862 177.584 0.013 0.000 1.181 194 A CA 1.249 53.227 52.037 -0.098 0.000 0.627 194 A CB -0.796 18.330 19.000 0.210 0.000 0.818 194 A HN 0.515 nan 8.150 nan 0.000 0.445 195 I N -1.606 118.919 120.570 -0.075 0.000 2.099 195 I HA -0.278 3.892 4.170 0.001 0.000 0.239 195 I C 2.291 178.420 176.117 0.019 0.000 1.066 195 I CA 1.523 62.801 61.300 -0.036 0.000 1.324 195 I CB -0.617 37.256 38.000 -0.211 0.000 1.037 195 I HN 0.378 nan 8.210 nan 0.000 0.401 196 Y N 0.997 121.108 120.300 -0.316 0.000 2.403 196 Y HA -0.200 4.350 4.550 0.001 0.000 0.291 196 Y C 2.461 178.349 175.900 -0.020 0.000 1.143 196 Y CA 0.838 58.711 58.100 -0.379 0.000 1.257 196 Y CB -0.957 37.304 38.460 -0.332 0.000 0.984 196 Y HN 0.206 nan 8.280 nan 0.000 0.550 197 K N -0.599 119.757 120.400 -0.074 0.000 2.021 197 K HA -0.074 4.247 4.320 0.001 0.000 0.205 197 K C 1.431 177.722 176.600 -0.514 0.000 1.047 197 K CA 1.399 57.416 56.287 -0.449 0.000 0.943 197 K CB -0.237 31.625 32.500 -1.063 0.000 0.725 197 K HN 0.107 nan 8.250 nan 0.000 0.439 198 F N 0.033 119.980 119.950 -0.006 0.000 2.274 198 F HA 0.105 4.632 4.527 0.001 0.000 0.288 198 F C 1.372 177.264 175.800 0.154 0.000 1.069 198 F CA 0.129 58.153 58.000 0.039 0.000 1.343 198 F CB -0.703 38.286 39.000 -0.018 0.000 1.089 198 F HN 0.096 nan 8.300 nan 0.000 0.517 199 H N 2.919 122.187 119.070 0.330 0.000 3.115 199 H HA -0.061 4.496 4.556 0.001 0.000 0.324 199 H C -1.734 173.738 175.328 0.240 0.000 1.007 199 H CA -0.718 55.508 56.048 0.297 0.000 1.385 199 H CB 1.138 31.146 29.762 0.410 0.000 1.351 199 H HN -0.079 nan 8.280 nan 0.000 0.592 200 P HA -0.158 nan 4.420 nan 0.000 0.215 200 P C 1.178 178.339 177.300 -0.231 0.000 1.153 200 P CA 1.207 64.167 63.100 -0.234 0.000 0.853 200 P CB 0.194 31.709 31.700 -0.308 0.000 0.788 201 E N -1.896 118.065 120.200 -0.398 0.000 2.273 201 E HA -0.177 4.174 4.350 0.001 0.000 0.198 201 E C 1.298 177.493 176.600 -0.675 0.000 1.002 201 E CA 1.206 57.331 56.400 -0.458 0.000 0.828 201 E CB -0.320 29.128 29.700 -0.420 0.000 0.747 201 E HN 0.392 nan 8.360 nan 0.000 0.491 202 F N -0.762 119.283 119.950 0.158 0.000 2.549 202 F HA 0.265 4.793 4.527 0.001 0.000 0.275 202 F C 2.266 178.242 175.800 0.293 0.000 0.990 202 F CA 0.279 58.431 58.000 0.253 0.000 1.274 202 F CB -0.886 38.301 39.000 0.312 0.000 1.064 202 F HN -0.125 nan 8.300 nan 0.000 0.715 203 A N 1.617 124.633 122.820 0.328 0.000 1.870 203 A HA -0.281 4.039 4.320 0.001 0.000 0.219 203 A C 2.014 179.647 177.584 0.081 0.000 1.224 203 A CA 2.594 54.719 52.037 0.148 0.000 0.650 203 A CB -1.159 17.886 19.000 0.076 0.000 0.836 203 A HN 0.483 nan 8.150 nan 0.000 0.454 204 N N 0.677 119.410 118.700 0.055 0.000 2.270 204 N HA 0.053 4.793 4.740 0.001 0.000 0.181 204 N C 1.055 176.587 175.510 0.036 0.000 1.016 204 N CA 0.877 53.938 53.050 0.018 0.000 0.870 204 N CB -0.844 37.639 38.487 -0.005 0.000 0.979 204 N HN 0.561 nan 8.380 nan 0.000 0.431 205 A N 1.733 124.612 122.820 0.099 0.000 2.555 205 A HA -0.019 4.301 4.320 0.001 0.000 0.233 205 A C 0.469 178.159 177.584 0.176 0.000 1.060 205 A CA 0.240 52.372 52.037 0.158 0.000 0.759 205 A CB 0.295 19.428 19.000 0.222 0.000 0.995 205 A HN 0.057 nan 8.150 nan 0.000 0.506 206 E N 0.577 120.869 120.200 0.153 0.000 2.174 206 E HA 0.582 4.932 4.350 0.001 0.000 0.282 206 E C -1.149 175.601 176.600 0.249 0.000 0.992 206 E CA 0.197 56.643 56.400 0.076 0.000 0.803 206 E CB 0.990 30.719 29.700 0.048 0.000 1.090 206 E HN 0.523 nan 8.360 nan 0.000 0.396 207 F N -0.092 119.861 119.950 0.005 0.000 2.725 207 F HA 0.408 4.935 4.527 0.001 0.000 0.311 207 F C -0.608 175.082 175.800 -0.183 0.000 1.121 207 F CA -1.232 56.758 58.000 -0.017 0.000 0.978 207 F CB 0.766 39.872 39.000 0.177 0.000 1.274 207 F HN 0.029 nan 8.300 nan 0.000 0.440 208 E N 1.864 121.895 120.200 -0.283 0.000 2.319 208 E HA 0.581 4.931 4.350 0.001 0.000 0.268 208 E C -0.936 175.298 176.600 -0.609 0.000 1.050 208 E CA -0.498 55.536 56.400 -0.611 0.000 0.878 208 E CB 1.304 30.277 29.700 -1.212 0.000 1.066 208 E HN 0.657 nan 8.360 nan 0.000 0.406 209 I N 3.649 123.970 120.570 -0.414 0.000 2.337 209 I HA 0.149 4.319 4.170 0.001 0.000 0.285 209 I C 0.255 176.327 176.117 -0.074 0.000 1.041 209 I CA -0.368 60.789 61.300 -0.239 0.000 1.199 209 I CB 0.643 38.583 38.000 -0.100 0.000 1.370 209 I HN 0.690 nan 8.210 nan 0.000 0.470 210 W N 5.044 126.356 121.300 0.020 0.000 2.381 210 W HA -0.103 4.558 4.660 0.001 0.000 0.301 210 W C 0.539 177.137 176.519 0.132 0.000 1.205 210 W CA 0.137 57.516 57.345 0.056 0.000 1.285 210 W CB 0.181 29.661 29.460 0.033 0.000 1.133 210 W HN 0.425 nan 8.180 nan 0.000 0.521 211 Y N -0.659 119.753 120.300 0.188 0.000 2.604 211 Y HA 0.519 5.070 4.550 0.001 0.000 0.331 211 Y C 0.065 175.982 175.900 0.029 0.000 1.158 211 Y CA -0.798 57.356 58.100 0.090 0.000 1.056 211 Y CB 0.908 39.397 38.460 0.049 0.000 1.330 211 Y HN 0.107 nan 8.280 nan 0.000 0.457 212 G N 3.416 111.726 108.800 -0.816 0.000 2.619 212 G HA2 0.334 4.294 3.960 0.001 0.000 0.686 212 G HA3 0.334 4.294 3.960 0.001 0.000 0.686 212 G C -1.912 172.888 174.900 -0.167 0.000 1.256 212 G CA -0.300 44.385 45.100 -0.691 0.000 0.826 212 G HN 1.147 nan 8.290 nan 0.000 0.619 213 D N 0.777 121.189 120.400 0.020 0.000 2.400 213 D HA 0.286 4.926 4.640 0.001 0.000 0.197 213 D C -1.447 174.939 176.300 0.143 0.000 1.295 213 D CA -0.425 53.640 54.000 0.108 0.000 0.878 213 D CB 1.751 42.612 40.800 0.101 0.000 1.659 213 D HN 0.210 nan 8.370 nan 0.000 0.546 214 P HA -0.050 nan 4.420 nan 0.000 0.226 214 P C 0.378 177.700 177.300 0.036 0.000 1.146 214 P CA 0.719 63.877 63.100 0.097 0.000 0.773 214 P CB 0.586 32.378 31.700 0.152 0.000 0.772 215 D N -0.623 119.793 120.400 0.027 0.000 2.354 215 D HA 0.035 4.676 4.640 0.001 0.000 0.209 215 D C 0.914 177.183 176.300 -0.051 0.000 1.015 215 D CA 0.530 54.512 54.000 -0.031 0.000 0.867 215 D CB 0.477 41.265 40.800 -0.020 0.000 0.933 215 D HN 0.321 nan 8.370 nan 0.000 0.520 216 K N 0.836 121.195 120.400 -0.069 0.000 2.185 216 K HA 0.178 4.499 4.320 0.001 0.000 0.240 216 K C -1.010 175.470 176.600 -0.200 0.000 0.983 216 K CA -0.600 55.575 56.287 -0.187 0.000 0.873 216 K CB 1.718 34.005 32.500 -0.355 0.000 1.118 216 K HN -0.321 nan 8.250 nan 0.000 0.441 217 D N 1.310 121.579 120.400 -0.218 0.000 2.349 217 D HA 0.140 4.780 4.640 0.001 0.000 0.232 217 D C 0.065 176.248 176.300 -0.196 0.000 1.071 217 D CA -0.184 53.740 54.000 -0.126 0.000 0.832 217 D CB 0.663 41.419 40.800 -0.073 0.000 1.086 217 D HN 0.554 nan 8.370 nan 0.000 0.504 218 H N 2.800 121.858 119.070 -0.020 0.000 2.539 218 H HA 0.170 4.726 4.556 0.001 0.000 0.269 218 H C 1.526 176.856 175.328 0.002 0.000 0.980 218 H CA 0.492 56.542 56.048 0.002 0.000 1.152 218 H CB 0.730 30.497 29.762 0.008 0.000 1.407 218 H HN 0.698 nan 8.280 nan 0.000 0.564 219 G N 1.183 110.019 108.800 0.061 0.000 2.622 219 G HA2 -0.397 3.563 3.960 0.001 0.000 0.307 219 G HA3 -0.397 3.563 3.960 0.001 0.000 0.307 219 G C 1.255 176.162 174.900 0.012 0.000 1.226 219 G CA 0.699 45.808 45.100 0.015 0.000 0.997 219 G HN 0.390 nan 8.290 nan 0.000 0.551 220 S N 0.885 116.586 115.700 0.001 0.000 2.603 220 S HA 0.271 4.741 4.470 0.001 0.000 0.229 220 S C 1.159 175.767 174.600 0.013 0.000 0.972 220 S CA 1.004 59.194 58.200 -0.017 0.000 0.935 220 S CB -0.041 63.145 63.200 -0.024 0.000 0.769 220 S HN 0.726 nan 8.310 nan 0.000 0.536 221 S N 2.878 118.619 115.700 0.069 0.000 2.481 221 S HA 0.397 4.867 4.470 0.001 0.000 0.276 221 S C 0.389 175.040 174.600 0.085 0.000 1.247 221 S CA -0.458 57.803 58.200 0.101 0.000 1.053 221 S CB 0.640 63.981 63.200 0.235 0.000 0.925 221 S HN 0.580 nan 8.310 nan 0.000 0.491 222 T N 1.393 115.984 114.554 0.062 0.000 2.894 222 T HA 0.726 5.076 4.350 0.001 0.000 0.309 222 T C -1.048 173.688 174.700 0.060 0.000 1.208 222 T CA -0.865 61.273 62.100 0.062 0.000 1.016 222 T CB 1.166 70.079 68.868 0.076 0.000 1.192 222 T HN 0.444 nan 8.240 nan 0.000 0.491 223 L N 0.808 122.071 121.223 0.065 0.000 2.513 223 L HA 0.584 4.924 4.340 0.001 0.000 0.261 223 L C -1.330 175.575 176.870 0.059 0.000 0.945 223 L CA -0.529 54.345 54.840 0.057 0.000 0.848 223 L CB 2.380 44.495 42.059 0.095 0.000 1.334 223 L HN 0.917 nan 8.230 nan 0.000 0.407 224 E N 1.209 121.438 120.200 0.048 0.000 2.234 224 E HA 0.302 4.652 4.350 0.001 0.000 0.266 224 E C 0.535 177.177 176.600 0.069 0.000 0.877 224 E CA -0.170 56.267 56.400 0.063 0.000 0.758 224 E CB 2.222 31.953 29.700 0.051 0.000 1.170 224 E HN 0.852 nan 8.360 nan 0.000 0.415 225 G N 2.650 111.503 108.800 0.087 0.000 2.547 225 G HA2 -0.331 3.630 3.960 0.001 0.000 0.221 225 G HA3 -0.331 3.630 3.960 0.001 0.000 0.221 225 G C 1.269 176.241 174.900 0.120 0.000 1.140 225 G CA 1.074 46.233 45.100 0.099 0.000 0.760 225 G HN 0.678 nan 8.290 nan 0.000 0.583 226 G N 0.250 109.125 108.800 0.124 0.000 2.462 226 G HA2 -0.178 3.782 3.960 0.001 0.000 0.220 226 G HA3 -0.178 3.782 3.960 0.001 0.000 0.220 226 G C 1.425 176.409 174.900 0.140 0.000 1.121 226 G CA 1.216 46.411 45.100 0.158 0.000 0.758 226 G HN 0.388 nan 8.290 nan 0.000 0.559 227 D N -0.339 120.115 120.400 0.091 0.000 2.317 227 D HA 0.035 4.675 4.640 0.001 0.000 0.211 227 D C 0.953 177.308 176.300 0.092 0.000 0.966 227 D CA 0.255 54.296 54.000 0.068 0.000 0.876 227 D CB 0.415 41.227 40.800 0.021 0.000 0.927 227 D HN 0.117 nan 8.370 nan 0.000 0.519 228 V N 1.434 121.412 119.914 0.107 0.000 2.481 228 V HA 0.368 4.489 4.120 0.001 0.000 0.286 228 V C 0.263 176.449 176.094 0.152 0.000 1.042 228 V CA -0.125 62.236 62.300 0.102 0.000 0.928 228 V CB 1.819 33.681 31.823 0.066 0.000 0.986 228 V HN -0.037 nan 8.190 nan 0.000 0.462 229 M N 6.240 125.927 119.600 0.145 0.000 2.213 229 M HA 0.317 4.797 4.480 0.001 0.000 0.243 229 M C -3.012 173.339 176.300 0.085 0.000 0.979 229 M CA -1.255 54.154 55.300 0.182 0.000 1.037 229 M CB 2.747 35.542 32.600 0.325 0.000 2.200 229 M HN 0.334 nan 8.290 nan 0.000 0.465 230 P HA 0.205 nan 4.420 nan 0.000 0.274 230 P C 0.613 177.876 177.300 -0.061 0.000 1.470 230 P CA -0.200 62.756 63.100 -0.240 0.000 1.001 230 P CB -0.215 31.103 31.700 -0.636 0.000 1.332 231 I N -0.002 120.598 120.570 0.049 0.000 3.578 231 I HA 0.378 4.548 4.170 0.001 0.000 0.295 231 I C 0.686 176.827 176.117 0.041 0.000 1.280 231 I CA 0.053 61.348 61.300 -0.009 0.000 1.347 231 I CB -0.469 37.510 38.000 -0.036 0.000 1.051 231 I HN 0.386 nan 8.210 nan 0.000 0.460 232 G N 1.860 110.804 108.800 0.241 0.000 2.555 232 G HA2 -0.193 3.768 3.960 0.001 0.000 0.686 232 G HA3 -0.193 3.768 3.960 0.001 0.000 0.686 232 G C -0.042 174.958 174.900 0.167 0.000 1.275 232 G CA -0.221 45.067 45.100 0.313 0.000 0.871 232 G HN 0.599 nan 8.290 nan 0.000 0.603 233 N N -1.159 117.627 118.700 0.142 0.000 2.776 233 N HA 0.169 4.909 4.740 0.001 0.000 0.249 233 N C 1.610 177.145 175.510 0.042 0.000 1.111 233 N CA 2.856 55.944 53.050 0.064 0.000 0.711 233 N CB -0.961 37.526 38.487 0.002 0.000 1.065 233 N HN 2.726 nan 8.380 nan 0.000 0.556 234 G N -2.076 106.729 108.800 0.009 0.000 2.179 234 G HA2 -0.248 3.712 3.960 0.001 0.000 0.257 234 G HA3 -0.248 3.712 3.960 0.001 0.000 0.257 234 G C -0.022 174.975 174.900 0.162 0.000 1.010 234 G CA 0.431 45.514 45.100 -0.029 0.000 0.736 234 G HN 0.705 nan 8.290 nan 0.000 0.513 235 V N -0.333 119.732 119.914 0.252 0.000 2.628 235 V HA 0.743 4.863 4.120 0.001 0.000 0.306 235 V C 0.179 176.423 176.094 0.249 0.000 1.045 235 V CA -0.839 61.595 62.300 0.222 0.000 0.905 235 V CB 2.210 34.106 31.823 0.123 0.000 0.997 235 V HN 0.298 nan 8.190 nan 0.000 0.436 236 V N 5.512 125.536 119.914 0.183 0.000 2.577 236 V HA 0.479 4.599 4.120 0.001 0.000 0.303 236 V C -0.403 175.760 176.094 0.116 0.000 1.042 236 V CA -0.500 61.867 62.300 0.112 0.000 0.872 236 V CB 1.782 33.632 31.823 0.045 0.000 0.998 236 V HN 0.635 nan 8.190 nan 0.000 0.423 237 L N 5.737 127.045 121.223 0.142 0.000 2.334 237 L HA 0.638 4.978 4.340 0.001 0.000 0.277 237 L C -0.604 176.337 176.870 0.119 0.000 1.075 237 L CA -0.327 54.616 54.840 0.171 0.000 0.804 237 L CB 1.382 43.602 42.059 0.269 0.000 1.174 237 L HN 0.473 nan 8.230 nan 0.000 0.438 238 I N 1.940 122.559 120.570 0.081 0.000 2.500 238 I HA 0.293 4.464 4.170 0.001 0.000 0.286 238 I C 0.404 176.519 176.117 -0.004 0.000 1.063 238 I CA -0.483 60.837 61.300 0.033 0.000 1.062 238 I CB 1.967 39.964 38.000 -0.005 0.000 1.223 238 I HN 0.633 nan 8.210 nan 0.000 0.435 239 G N 6.431 115.221 108.800 -0.017 0.000 2.406 239 G HA2 0.424 4.384 3.960 0.001 0.000 0.251 239 G HA3 0.424 4.384 3.960 0.001 0.000 0.251 239 G C -0.536 174.323 174.900 -0.068 0.000 1.271 239 G CA -0.343 44.713 45.100 -0.074 0.000 0.859 239 G HN 0.592 nan 8.290 nan 0.000 0.540 240 M N 3.496 123.044 119.600 -0.086 0.000 2.085 240 M HA 0.558 5.038 4.480 0.001 0.000 0.309 240 M C 0.179 176.426 176.300 -0.089 0.000 0.947 240 M CA -0.337 54.914 55.300 -0.081 0.000 0.918 240 M CB 1.246 33.798 32.600 -0.079 0.000 1.504 240 M HN 0.707 nan 8.290 nan 0.000 0.420 241 G N 2.281 111.025 108.800 -0.093 0.000 3.100 241 G HA2 0.168 4.129 3.960 0.001 0.000 0.174 241 G HA3 0.168 4.129 3.960 0.001 0.000 0.174 241 G C 0.021 174.849 174.900 -0.121 0.000 1.136 241 G CA -0.126 44.911 45.100 -0.105 0.000 0.881 241 G HN 0.677 nan 8.290 nan 0.000 0.616 242 E N -0.031 120.068 120.200 -0.168 0.000 2.110 242 E HA -0.103 4.247 4.350 0.001 0.000 0.193 242 E C 2.106 178.480 176.600 -0.378 0.000 0.988 242 E CA 0.931 57.173 56.400 -0.264 0.000 0.804 242 E CB 0.036 29.541 29.700 -0.325 0.000 0.745 242 E HN 0.352 nan 8.360 nan 0.000 0.458 243 R N -0.464 119.850 120.500 -0.309 0.000 2.334 243 R HA 0.215 4.556 4.340 0.001 0.000 0.212 243 R C 0.157 176.433 176.300 -0.041 0.000 0.897 243 R CA 0.077 56.041 56.100 -0.226 0.000 1.056 243 R CB 0.956 31.123 30.300 -0.222 0.000 1.046 243 R HN -0.130 nan 8.270 nan 0.000 0.513 244 S N 1.774 117.443 115.700 -0.051 0.000 2.669 244 S HA 0.244 4.714 4.470 0.001 0.000 0.315 244 S C -0.116 174.457 174.600 -0.046 0.000 1.106 244 S CA -0.663 57.519 58.200 -0.030 0.000 1.107 244 S CB 1.775 64.953 63.200 -0.037 0.000 0.990 244 S HN 0.284 nan 8.310 nan 0.000 0.471 245 S N 2.639 118.319 115.700 -0.033 0.000 2.669 245 S HA 0.349 4.819 4.470 0.001 0.000 0.270 245 S C 1.285 175.833 174.600 -0.087 0.000 1.225 245 S CA -0.992 57.178 58.200 -0.051 0.000 0.991 245 S CB 0.715 63.899 63.200 -0.026 0.000 0.987 245 S HN 0.803 nan 8.310 nan 0.000 0.552 246 R N 0.265 120.702 120.500 -0.105 0.000 2.189 246 R HA -0.036 4.305 4.340 0.001 0.000 0.218 246 R C 1.626 177.842 176.300 -0.139 0.000 1.074 246 R CA 0.939 56.956 56.100 -0.139 0.000 0.991 246 R CB -0.628 29.575 30.300 -0.161 0.000 0.883 246 R HN 0.626 nan 8.270 nan 0.000 0.457 247 Q N 1.241 120.978 119.800 -0.105 0.000 2.124 247 Q HA -0.031 4.309 4.340 0.001 0.000 0.202 247 Q C 2.190 178.125 176.000 -0.108 0.000 0.977 247 Q CA 2.214 57.964 55.803 -0.088 0.000 0.850 247 Q CB -0.087 28.627 28.738 -0.042 0.000 0.901 247 Q HN 0.537 nan 8.270 nan 0.000 0.429 248 A N -0.065 122.686 122.820 -0.116 0.000 1.878 248 A HA -0.023 4.297 4.320 0.001 0.000 0.213 248 A C 2.007 179.376 177.584 -0.359 0.000 1.192 248 A CA 0.696 52.610 52.037 -0.204 0.000 0.619 248 A CB -0.366 18.594 19.000 -0.067 0.000 0.837 248 A HN 0.286 nan 8.150 nan 0.000 0.446 249 I N -0.119 120.311 120.570 -0.234 0.000 2.202 249 I HA -0.155 4.016 4.170 0.001 0.000 0.242 249 I C 2.734 178.702 176.117 -0.247 0.000 1.091 249 I CA 1.061 62.227 61.300 -0.224 0.000 1.368 249 I CB -0.705 37.204 38.000 -0.150 0.000 1.058 249 I HN 0.387 nan 8.210 nan 0.000 0.410 250 G N 0.282 108.951 108.800 -0.218 0.000 2.476 250 G HA2 -0.283 3.677 3.960 0.001 0.000 0.218 250 G HA3 -0.283 3.677 3.960 0.001 0.000 0.218 250 G C 1.574 176.332 174.900 -0.236 0.000 1.164 250 G CA 0.626 45.605 45.100 -0.202 0.000 0.768 250 G HN 0.423 nan 8.290 nan 0.000 0.560 251 Q N -0.390 119.232 119.800 -0.296 0.000 2.167 251 Q HA -0.000 4.340 4.340 0.001 0.000 0.202 251 Q C 2.840 178.603 176.000 -0.395 0.000 0.970 251 Q CA 0.904 56.517 55.803 -0.316 0.000 0.855 251 Q CB -0.120 28.416 28.738 -0.336 0.000 0.911 251 Q HN 0.407 nan 8.270 nan 0.000 0.438 252 V N 0.929 120.534 119.914 -0.515 0.000 2.307 252 V HA -0.285 3.835 4.120 0.001 0.000 0.245 252 V C 2.271 178.120 176.094 -0.408 0.000 1.045 252 V CA 1.817 63.865 62.300 -0.419 0.000 1.024 252 V CB -0.925 30.683 31.823 -0.359 0.000 0.651 252 V HN 0.394 nan 8.190 nan 0.000 0.449 253 A N -0.780 121.768 122.820 -0.453 0.000 1.851 253 A HA -0.361 3.959 4.320 0.001 0.000 0.216 253 A C 2.242 179.344 177.584 -0.804 0.000 1.195 253 A CA 2.417 54.005 52.037 -0.748 0.000 0.622 253 A CB -0.799 17.883 19.000 -0.530 0.000 0.831 253 A HN 0.579 nan 8.150 nan 0.000 0.444 254 Q N -0.579 119.010 119.800 -0.352 0.000 2.096 254 Q HA -0.245 4.095 4.340 0.001 0.000 0.208 254 Q C 2.368 178.308 176.000 -0.100 0.000 0.993 254 Q CA 2.337 58.077 55.803 -0.105 0.000 0.862 254 Q CB -0.248 28.485 28.738 -0.008 0.000 0.915 254 Q HN 0.669 nan 8.270 nan 0.000 0.416 255 S N -0.348 115.267 115.700 -0.142 0.000 2.338 255 S HA -0.119 4.351 4.470 0.001 0.000 0.218 255 S C 1.972 176.434 174.600 -0.230 0.000 1.032 255 S CA 1.095 59.254 58.200 -0.068 0.000 0.999 255 S CB -0.376 62.841 63.200 0.028 0.000 0.905 255 S HN 0.454 nan 8.310 nan 0.000 0.439 256 L N 0.277 121.208 121.223 -0.488 0.000 1.978 256 L HA -0.162 4.179 4.340 0.001 0.000 0.218 256 L C 2.437 179.117 176.870 -0.316 0.000 1.075 256 L CA 1.798 56.216 54.840 -0.703 0.000 0.767 256 L CB -0.852 40.782 42.059 -0.707 0.000 0.890 256 L HN 0.342 nan 8.230 nan 0.000 0.434 257 F N 0.029 119.881 119.950 -0.163 0.000 2.307 257 F HA -0.155 4.373 4.527 0.001 0.000 0.301 257 F C 2.462 178.229 175.800 -0.054 0.000 1.076 257 F CA 0.720 58.668 58.000 -0.087 0.000 1.383 257 F CB -1.339 37.634 39.000 -0.044 0.000 1.055 257 F HN 0.051 nan 8.300 nan 0.000 0.526 258 A N -0.957 121.931 122.820 0.113 0.000 2.206 258 A HA -0.013 4.307 4.320 0.001 0.000 0.211 258 A C 1.675 179.322 177.584 0.105 0.000 1.158 258 A CA 0.791 52.891 52.037 0.105 0.000 0.761 258 A CB -0.367 18.692 19.000 0.097 0.000 0.801 258 A HN 0.150 nan 8.150 nan 0.000 0.473 259 K N -1.619 118.834 120.400 0.088 0.000 2.506 259 K HA 0.340 4.660 4.320 0.001 0.000 0.204 259 K C 0.924 177.593 176.600 0.114 0.000 1.045 259 K CA 0.554 56.930 56.287 0.147 0.000 1.074 259 K CB 0.350 33.044 32.500 0.323 0.000 0.842 259 K HN 0.439 nan 8.250 nan 0.000 0.514 260 G N 0.802 109.650 108.800 0.079 0.000 2.200 260 G HA2 -0.393 3.567 3.960 0.001 0.000 0.268 260 G HA3 -0.393 3.567 3.960 0.001 0.000 0.268 260 G C 1.123 176.054 174.900 0.051 0.000 0.986 260 G CA 0.706 45.846 45.100 0.067 0.000 0.677 260 G HN 0.418 nan 8.290 nan 0.000 0.532 261 A N -0.965 121.865 122.820 0.016 0.000 2.178 261 A HA 0.555 4.875 4.320 0.001 0.000 0.218 261 A C 1.445 179.029 177.584 -0.000 0.000 1.157 261 A CA 2.101 54.142 52.037 0.006 0.000 0.689 261 A CB -0.157 18.655 19.000 -0.314 0.000 0.787 261 A HN 2.332 nan 8.150 nan 0.000 0.465 262 A N -1.832 121.018 122.820 0.050 0.000 2.605 262 A HA 0.619 4.940 4.320 0.001 0.000 0.294 262 A C -0.050 177.679 177.584 0.242 0.000 1.062 262 A CA -0.194 51.934 52.037 0.152 0.000 0.682 262 A CB 0.465 19.590 19.000 0.208 0.000 1.278 262 A HN 0.095 nan 8.150 nan 0.000 0.410 263 E N -0.134 120.159 120.200 0.154 0.000 2.251 263 E HA 0.152 4.502 4.350 0.001 0.000 0.194 263 E C 0.517 177.103 176.600 -0.023 0.000 0.964 263 E CA 0.805 57.214 56.400 0.016 0.000 0.868 263 E CB 0.411 30.101 29.700 -0.016 0.000 0.828 263 E HN 0.613 nan 8.360 nan 0.000 0.481 264 R N -0.478 120.153 120.500 0.219 0.000 2.579 264 R HA 0.393 4.733 4.340 0.001 0.000 0.260 264 R C -1.933 174.567 176.300 0.333 0.000 1.103 264 R CA -0.619 55.639 56.100 0.263 0.000 0.942 264 R CB 1.123 31.475 30.300 0.086 0.000 1.251 264 R HN -0.157 nan 8.270 nan 0.000 0.450 265 V N 4.938 125.080 119.914 0.379 0.000 2.435 265 V HA 0.482 4.602 4.120 0.001 0.000 0.290 265 V C 0.068 176.269 176.094 0.179 0.000 1.030 265 V CA -0.689 61.730 62.300 0.200 0.000 0.881 265 V CB 1.601 33.468 31.823 0.073 0.000 0.983 265 V HN 0.671 nan 8.190 nan 0.000 0.445 266 I N 4.682 125.345 120.570 0.155 0.000 2.330 266 I HA 0.301 4.471 4.170 0.001 0.000 0.289 266 I C -0.260 175.957 176.117 0.167 0.000 1.001 266 I CA -0.610 60.792 61.300 0.171 0.000 1.193 266 I CB 1.778 39.882 38.000 0.173 0.000 1.345 266 I HN 0.316 nan 8.210 nan 0.000 0.461 267 V N 6.655 126.677 119.914 0.180 0.000 2.405 267 V HA 0.218 4.338 4.120 0.001 0.000 0.264 267 V C 0.847 177.024 176.094 0.138 0.000 1.048 267 V CA -0.495 61.890 62.300 0.141 0.000 0.966 267 V CB 0.926 32.830 31.823 0.133 0.000 1.015 267 V HN 0.826 nan 8.190 nan 0.000 0.477 268 A N 4.722 127.529 122.820 -0.022 0.000 2.671 268 A HA 0.539 4.859 4.320 0.001 0.000 0.306 268 A C 1.056 178.544 177.584 -0.159 0.000 1.473 268 A CA 0.044 51.921 52.037 -0.265 0.000 1.155 268 A CB -0.316 18.328 19.000 -0.592 0.000 1.123 268 A HN 1.007 nan 8.150 nan 0.000 0.545 269 G N 2.642 111.441 108.800 -0.002 0.000 2.404 269 G HA2 0.412 4.372 3.960 0.001 0.000 0.289 269 G HA3 0.412 4.372 3.960 0.001 0.000 0.289 269 G C -0.012 174.844 174.900 -0.073 0.000 1.074 269 G CA -0.260 44.869 45.100 0.048 0.000 1.210 269 G HN 0.699 nan 8.290 nan 0.000 0.434 270 L N 5.266 126.426 121.223 -0.105 0.000 2.349 270 L HA 0.286 4.626 4.340 0.001 0.000 0.275 270 L C -1.313 175.509 176.870 -0.080 0.000 1.115 270 L CA -1.711 53.056 54.840 -0.123 0.000 0.820 270 L CB 1.138 43.117 42.059 -0.133 0.000 1.135 270 L HN 0.381 nan 8.230 nan 0.000 0.445 271 P HA 0.020 nan 4.420 nan 0.000 0.272 271 P C -0.028 177.238 177.300 -0.057 0.000 1.223 271 P CA -0.491 62.577 63.100 -0.053 0.000 0.784 271 P CB 1.095 32.765 31.700 -0.051 0.000 0.923 272 K N 1.720 122.094 120.400 -0.043 0.000 2.160 272 K HA -0.141 4.179 4.320 0.001 0.000 0.206 272 K C 1.868 178.438 176.600 -0.049 0.000 1.047 272 K CA 2.050 58.311 56.287 -0.044 0.000 0.930 272 K CB -0.689 31.793 32.500 -0.030 0.000 0.720 272 K HN 0.359 nan 8.250 nan 0.000 0.450 273 S N 0.043 115.715 115.700 -0.047 0.000 2.402 273 S HA -0.062 4.408 4.470 0.001 0.000 0.229 273 S C 1.335 175.892 174.600 -0.071 0.000 1.021 273 S CA 1.201 59.373 58.200 -0.048 0.000 0.974 273 S CB -0.121 63.056 63.200 -0.038 0.000 0.800 273 S HN 0.234 nan 8.310 nan 0.000 0.484 274 R N 0.667 121.112 120.500 -0.092 0.000 2.507 274 R HA 0.473 4.814 4.340 0.001 0.000 0.298 274 R C 1.482 177.708 176.300 -0.122 0.000 0.999 274 R CA 0.278 56.301 56.100 -0.128 0.000 1.082 274 R CB -0.507 29.689 30.300 -0.173 0.000 1.246 274 R HN 0.334 nan 8.270 nan 0.000 0.553 275 A N 0.389 123.147 122.820 -0.103 0.000 2.125 275 A HA -0.018 4.302 4.320 0.001 0.000 0.219 275 A C 1.985 179.495 177.584 -0.125 0.000 1.156 275 A CA 1.560 53.531 52.037 -0.109 0.000 0.671 275 A CB -0.281 18.660 19.000 -0.097 0.000 0.794 275 A HN 0.309 nan 8.150 nan 0.000 0.459 276 A N -0.824 121.928 122.820 -0.113 0.000 2.119 276 A HA 0.290 4.611 4.320 0.001 0.000 0.216 276 A C 1.144 178.671 177.584 -0.097 0.000 1.152 276 A CA 0.224 52.196 52.037 -0.108 0.000 0.708 276 A CB -0.312 18.643 19.000 -0.074 0.000 0.805 276 A HN 0.525 nan 8.150 nan 0.000 0.460 277 M N 0.722 120.259 119.600 -0.105 0.000 2.180 277 M HA 0.471 4.952 4.480 0.001 0.000 0.358 277 M C 0.110 176.359 176.300 -0.083 0.000 1.233 277 M CA -0.280 54.962 55.300 -0.098 0.000 1.114 277 M CB 1.246 33.761 32.600 -0.143 0.000 1.594 277 M HN 0.213 nan 8.290 nan 0.000 0.467 278 A N 2.618 125.407 122.820 -0.052 0.000 2.354 278 A HA 0.304 4.624 4.320 0.001 0.000 0.269 278 A C 0.848 178.428 177.584 -0.007 0.000 1.109 278 A CA -0.627 51.395 52.037 -0.025 0.000 0.800 278 A CB 0.440 19.442 19.000 0.003 0.000 1.045 278 A HN 0.974 nan 8.150 nan 0.000 0.489 279 L N 1.777 123.001 121.223 0.002 0.000 2.010 279 L HA -0.238 4.103 4.340 0.001 0.000 0.219 279 L C 2.126 179.056 176.870 0.101 0.000 1.077 279 L CA 3.010 57.871 54.840 0.036 0.000 0.773 279 L CB -0.634 41.462 42.059 0.061 0.000 0.892 279 L HN 0.899 nan 8.230 nan 0.000 0.436 280 D N -2.772 117.685 120.400 0.095 0.000 2.384 280 D HA -0.179 4.461 4.640 0.001 0.000 0.222 280 D C 1.744 178.047 176.300 0.004 0.000 0.976 280 D CA 1.226 55.241 54.000 0.025 0.000 0.915 280 D CB -0.590 40.255 40.800 0.075 0.000 0.896 280 D HN 0.425 nan 8.370 nan 0.000 0.523 281 T N -0.742 113.835 114.554 0.039 0.000 3.069 281 T HA 0.171 4.521 4.350 0.001 0.000 0.252 281 T C 1.280 176.032 174.700 0.087 0.000 1.053 281 T CA 0.635 62.764 62.100 0.049 0.000 0.964 281 T CB -0.099 68.791 68.868 0.037 0.000 1.005 281 T HN 0.158 nan 8.240 nan 0.000 0.532 282 V N -2.206 117.765 119.914 0.094 0.000 3.380 282 V HA 0.591 4.712 4.120 0.001 0.000 0.277 282 V C -0.318 175.913 176.094 0.228 0.000 1.590 282 V CA -0.600 61.795 62.300 0.157 0.000 1.019 282 V CB 0.013 31.848 31.823 0.019 0.000 0.828 282 V HN 0.280 nan 8.190 nan 0.000 0.427 283 F N 1.274 121.221 119.950 -0.005 0.000 2.617 283 F HA 0.826 5.353 4.527 0.001 0.000 0.325 283 F C -0.872 174.851 175.800 -0.128 0.000 1.179 283 F CA -0.294 57.682 58.000 -0.041 0.000 0.965 283 F CB 2.021 41.039 39.000 0.032 0.000 1.232 283 F HN -0.036 nan 8.300 nan 0.000 0.461 284 S N 5.676 120.931 115.700 -0.741 0.000 2.575 284 S HA 0.542 5.012 4.470 0.001 0.000 0.278 284 S C -1.131 173.079 174.600 -0.651 0.000 1.139 284 S CA -0.474 57.345 58.200 -0.635 0.000 0.954 284 S CB 1.005 63.994 63.200 -0.351 0.000 1.054 284 S HN 0.437 nan 8.310 nan 0.000 0.483 285 F N 0.943 120.637 119.950 -0.427 0.000 2.459 285 F HA 0.250 4.778 4.527 0.001 0.000 0.346 285 F C 1.327 177.046 175.800 -0.134 0.000 1.128 285 F CA -0.165 57.687 58.000 -0.245 0.000 1.268 285 F CB 0.513 39.450 39.000 -0.105 0.000 1.161 285 F HN 0.634 nan 8.300 nan 0.000 0.583 286 C N -0.236 119.136 119.300 0.121 0.000 3.480 286 C HA 0.286 4.746 4.460 0.001 0.000 0.480 286 C C -0.080 174.953 174.990 0.072 0.000 1.410 286 C CA 0.018 59.072 59.018 0.059 0.000 2.172 286 C CB -0.027 27.712 27.740 -0.002 0.000 3.162 286 C HN 0.804 nan 8.230 nan 0.000 0.635 287 D N -0.983 119.482 120.400 0.109 0.000 2.643 287 D HA 0.249 4.889 4.640 0.001 0.000 0.283 287 D C 0.501 176.873 176.300 0.121 0.000 1.242 287 D CA -0.657 53.392 54.000 0.082 0.000 0.863 287 D CB 1.024 41.854 40.800 0.051 0.000 1.382 287 D HN -0.166 nan 8.370 nan 0.000 0.444 288 R N -0.085 120.458 120.500 0.072 0.000 2.204 288 R HA -0.185 4.155 4.340 0.001 0.000 0.253 288 R C 0.174 176.601 176.300 0.211 0.000 1.172 288 R CA 2.355 58.509 56.100 0.091 0.000 0.994 288 R CB 0.095 30.386 30.300 -0.015 0.000 0.874 288 R HN 0.405 nan 8.270 nan 0.000 0.462 289 D N -1.886 118.623 120.400 0.182 0.000 2.822 289 D HA 0.049 4.689 4.640 0.001 0.000 0.327 289 D C -0.537 175.859 176.300 0.161 0.000 1.577 289 D CA -0.216 53.909 54.000 0.208 0.000 0.785 289 D CB -0.422 40.466 40.800 0.147 0.000 1.199 289 D HN 0.102 nan 8.370 nan 0.000 0.443 290 L N 1.198 122.520 121.223 0.166 0.000 2.381 290 L HA 0.619 4.959 4.340 0.001 0.000 0.274 290 L C -1.168 175.700 176.870 -0.003 0.000 0.988 290 L CA -0.959 53.918 54.840 0.063 0.000 0.824 290 L CB 2.011 44.092 42.059 0.037 0.000 1.263 290 L HN 0.035 nan 8.230 nan 0.000 0.410 291 V N 0.432 120.274 119.914 -0.121 0.000 2.686 291 V HA 0.602 4.722 4.120 0.001 0.000 0.306 291 V C 0.070 176.023 176.094 -0.235 0.000 1.065 291 V CA -0.533 61.570 62.300 -0.328 0.000 0.894 291 V CB 1.422 32.842 31.823 -0.672 0.000 1.004 291 V HN 0.811 nan 8.190 nan 0.000 0.424 292 T N 1.566 115.974 114.554 -0.245 0.000 2.868 292 T HA 0.774 5.125 4.350 0.001 0.000 0.292 292 T C -0.155 174.467 174.700 -0.130 0.000 1.028 292 T CA -0.478 61.528 62.100 -0.157 0.000 1.059 292 T CB 1.652 70.434 68.868 -0.142 0.000 0.991 292 T HN 1.135 nan 8.240 nan 0.000 0.531 293 V N 0.785 120.675 119.914 -0.039 0.000 3.204 293 V HA 0.489 4.610 4.120 0.001 0.000 0.298 293 V C -1.597 174.568 176.094 0.118 0.000 1.328 293 V CA -1.032 61.313 62.300 0.075 0.000 1.035 293 V CB 2.428 34.320 31.823 0.114 0.000 1.095 293 V HN 0.915 nan 8.190 nan 0.000 0.442 294 F N 5.141 125.117 119.950 0.044 0.000 2.319 294 F HA 0.531 5.058 4.527 0.000 0.000 0.356 294 F C -1.760 174.074 175.800 0.057 0.000 1.100 294 F CA -2.547 55.480 58.000 0.044 0.000 1.220 294 F CB 1.348 40.383 39.000 0.059 0.000 1.506 294 F HN 0.306 nan 8.300 nan 0.000 0.512 295 P HA -0.345 nan 4.420 nan 0.000 0.218 295 P C 1.649 179.091 177.300 0.237 0.000 1.132 295 P CA 2.588 65.803 63.100 0.192 0.000 0.968 295 P CB 0.123 31.884 31.700 0.101 0.000 0.783 296 E N -0.732 119.661 120.200 0.322 0.000 2.082 296 E HA -0.262 4.088 4.350 0.001 0.000 0.215 296 E C 1.735 178.437 176.600 0.168 0.000 1.048 296 E CA 2.701 59.265 56.400 0.273 0.000 0.869 296 E CB -0.649 29.304 29.700 0.421 0.000 0.773 296 E HN -0.046 nan 8.360 nan 0.000 0.466 297 V N 0.463 120.459 119.914 0.136 0.000 2.307 297 V HA -0.212 3.908 4.120 0.001 0.000 0.245 297 V C 2.526 178.616 176.094 -0.006 0.000 1.045 297 V CA 1.565 63.834 62.300 -0.052 0.000 1.024 297 V CB -0.413 31.245 31.823 -0.275 0.000 0.651 297 V HN 0.249 nan 8.190 nan 0.000 0.449 298 V N 1.532 121.491 119.914 0.076 0.000 2.594 298 V HA -0.258 3.862 4.120 0.001 0.000 0.253 298 V C 2.402 178.539 176.094 0.072 0.000 1.069 298 V CA 2.266 64.615 62.300 0.082 0.000 1.082 298 V CB -1.058 30.879 31.823 0.190 0.000 0.680 298 V HN 0.805 nan 8.190 nan 0.000 0.469 299 K N -0.013 120.430 120.400 0.072 0.000 2.432 299 K HA -0.006 4.314 4.320 0.001 0.000 0.196 299 K C 1.327 177.940 176.600 0.022 0.000 1.038 299 K CA 0.865 57.185 56.287 0.055 0.000 0.986 299 K CB 0.009 32.544 32.500 0.059 0.000 0.782 299 K HN 0.343 nan 8.250 nan 0.000 0.485 300 E N 1.038 121.238 120.200 -0.000 0.000 2.481 300 E HA 0.166 4.516 4.350 0.001 0.000 0.198 300 E C 0.276 176.838 176.600 -0.062 0.000 1.027 300 E CA -0.115 56.270 56.400 -0.025 0.000 0.900 300 E CB 0.226 29.912 29.700 -0.024 0.000 0.993 300 E HN 0.355 nan 8.360 nan 0.000 0.482 301 I N 1.900 122.412 120.570 -0.097 0.000 2.618 301 I HA -0.054 4.116 4.170 0.001 0.000 0.284 301 I C 0.182 176.216 176.117 -0.139 0.000 1.146 301 I CA -0.073 61.114 61.300 -0.187 0.000 1.425 301 I CB 0.771 38.519 38.000 -0.421 0.000 1.383 301 I HN -0.290 nan 8.210 nan 0.000 0.562 302 V N 8.949 128.786 119.914 -0.128 0.000 2.364 302 V HA 0.274 4.395 4.120 0.001 0.000 0.272 302 V C -1.993 173.944 176.094 -0.263 0.000 1.036 302 V CA -1.524 60.669 62.300 -0.178 0.000 0.880 302 V CB 0.905 32.657 31.823 -0.120 0.000 0.991 302 V HN 0.600 nan 8.190 nan 0.000 0.460 303 P HA 0.471 nan 4.420 nan 0.000 0.288 303 P C -1.259 175.782 177.300 -0.431 0.000 1.267 303 P CA -0.417 62.579 63.100 -0.172 0.000 0.815 303 P CB 1.058 32.800 31.700 0.071 0.000 0.989 304 F N 0.146 120.117 119.950 0.035 0.000 2.507 304 F HA 0.258 4.785 4.527 0.001 0.000 0.328 304 F C 0.653 176.485 175.800 0.053 0.000 1.136 304 F CA -0.437 57.582 58.000 0.033 0.000 0.930 304 F CB 1.813 40.823 39.000 0.016 0.000 1.166 304 F HN 0.104 nan 8.300 nan 0.000 0.436 305 S N 4.406 120.222 115.700 0.194 0.000 2.489 305 S HA 0.486 4.956 4.470 0.001 0.000 0.277 305 S C -0.643 174.060 174.600 0.171 0.000 1.230 305 S CA -0.496 57.793 58.200 0.150 0.000 1.053 305 S CB 0.582 63.833 63.200 0.084 0.000 0.955 305 S HN 0.332 nan 8.310 nan 0.000 0.488 306 L N 4.454 125.792 121.223 0.193 0.000 2.313 306 L HA 0.584 4.924 4.340 0.001 0.000 0.283 306 L C -0.000 176.984 176.870 0.190 0.000 1.013 306 L CA -0.092 54.892 54.840 0.240 0.000 0.816 306 L CB 1.434 43.680 42.059 0.312 0.000 1.236 306 L HN 0.678 nan 8.230 nan 0.000 0.419 307 R N 3.734 124.237 120.500 0.005 0.000 2.808 307 R HA 0.564 4.904 4.340 0.001 0.000 0.272 307 R C -2.568 173.432 176.300 -0.501 0.000 0.995 307 R CA -1.749 54.151 56.100 -0.333 0.000 0.917 307 R CB 2.141 32.332 30.300 -0.182 0.000 1.217 307 R HN 0.345 nan 8.270 nan 0.000 0.471 308 P HA 0.114 nan 4.420 nan 0.000 0.275 308 P C -1.344 175.823 177.300 -0.222 0.000 1.227 308 P CA 0.090 62.912 63.100 -0.463 0.000 0.781 308 P CB 0.663 32.086 31.700 -0.462 0.000 0.906 309 D N 3.047 123.365 120.400 -0.137 0.000 2.616 309 D HA 0.240 4.881 4.640 0.001 0.000 0.238 309 D C -2.332 173.911 176.300 -0.095 0.000 1.354 309 D CA -2.123 51.811 54.000 -0.111 0.000 0.970 309 D CB 1.233 41.966 40.800 -0.111 0.000 1.369 309 D HN -0.018 nan 8.370 nan 0.000 0.585 310 P HA 0.007 nan 4.420 nan 0.000 0.230 310 P C 0.307 177.568 177.300 -0.065 0.000 1.158 310 P CA 0.607 63.673 63.100 -0.057 0.000 0.769 310 P CB 0.198 31.873 31.700 -0.043 0.000 0.807 311 S N -2.115 113.538 115.700 -0.080 0.000 2.577 311 S HA 0.414 4.884 4.470 0.001 0.000 0.239 311 S C 0.197 174.718 174.600 -0.130 0.000 1.236 311 S CA -0.465 57.686 58.200 -0.083 0.000 1.233 311 S CB -0.616 62.545 63.200 -0.066 0.000 0.908 311 S HN -0.092 nan 8.310 nan 0.000 0.493 312 S N 1.161 116.758 115.700 -0.172 0.000 2.575 312 S HA 0.598 5.068 4.470 0.001 0.000 0.278 312 S C -2.457 171.982 174.600 -0.268 0.000 1.139 312 S CA -1.316 56.690 58.200 -0.324 0.000 0.954 312 S CB 1.535 64.456 63.200 -0.464 0.000 1.054 312 S HN 0.111 nan 8.310 nan 0.000 0.483 313 P HA -0.001 nan 4.420 nan 0.000 0.220 313 P C 0.139 177.460 177.300 0.035 0.000 1.148 313 P CA 1.013 64.076 63.100 -0.063 0.000 0.803 313 P CB -0.164 31.550 31.700 0.024 0.000 0.782 314 Y N -4.180 116.132 120.300 0.020 0.000 2.607 314 Y HA 0.627 5.178 4.550 0.000 0.000 0.266 314 Y C 1.420 177.346 175.900 0.044 0.000 1.178 314 Y CA -0.554 57.563 58.100 0.028 0.000 1.226 314 Y CB -0.889 37.584 38.460 0.022 0.000 1.144 314 Y HN -0.100 nan 8.280 nan 0.000 0.528 315 G N 1.119 109.895 108.800 -0.041 0.000 2.269 315 G HA2 -0.326 3.635 3.960 0.001 0.000 0.277 315 G HA3 -0.326 3.635 3.960 0.001 0.000 0.277 315 G C -0.176 174.727 174.900 0.004 0.000 1.008 315 G CA 1.010 46.097 45.100 -0.023 0.000 0.774 315 G HN 0.496 nan 8.290 nan 0.000 0.511 316 M N -0.684 118.896 119.600 -0.034 0.000 2.619 316 M HA 0.414 4.895 4.480 0.001 0.000 0.297 316 M C -0.211 176.072 176.300 -0.029 0.000 1.229 316 M CA -0.846 54.506 55.300 0.087 0.000 0.860 316 M CB 2.306 35.144 32.600 0.397 0.000 1.741 316 M HN 0.171 nan 8.290 nan 0.000 0.462 317 N N 1.331 120.057 118.700 0.044 0.000 2.229 317 N HA 0.716 5.457 4.740 0.001 0.000 0.298 317 N C -2.183 173.393 175.510 0.110 0.000 1.114 317 N CA -0.436 52.634 53.050 0.033 0.000 0.776 317 N CB 2.698 41.171 38.487 -0.023 0.000 1.501 317 N HN 0.758 nan 8.380 nan 0.000 0.474 318 I N 1.773 122.415 120.570 0.120 0.000 2.607 318 I HA 0.462 4.632 4.170 0.001 0.000 0.290 318 I C -1.304 174.905 176.117 0.153 0.000 1.129 318 I CA -0.659 60.733 61.300 0.152 0.000 1.042 318 I CB 1.446 39.541 38.000 0.159 0.000 1.242 318 I HN 0.535 nan 8.210 nan 0.000 0.421 319 R N 5.828 126.432 120.500 0.173 0.000 2.686 319 R HA 0.476 4.817 4.340 0.001 0.000 0.283 319 R C -1.002 175.385 176.300 0.145 0.000 0.978 319 R CA -1.017 55.166 56.100 0.138 0.000 0.897 319 R CB 2.544 32.884 30.300 0.066 0.000 1.192 319 R HN 0.548 nan 8.270 nan 0.000 0.457 320 R N 2.029 122.567 120.500 0.064 0.000 2.234 320 R HA 0.080 4.420 4.340 0.001 0.000 0.324 320 R C -0.561 175.621 176.300 -0.197 0.000 1.054 320 R CA -0.349 55.610 56.100 -0.236 0.000 0.912 320 R CB 0.802 30.968 30.300 -0.225 0.000 1.030 320 R HN 0.445 nan 8.270 nan 0.000 0.455 321 E N 3.915 123.965 120.200 -0.249 0.000 2.257 321 E HA -0.015 4.335 4.350 0.001 0.000 0.278 321 E C 0.220 176.739 176.600 -0.135 0.000 1.049 321 E CA -0.067 56.250 56.400 -0.138 0.000 0.876 321 E CB 1.269 30.909 29.700 -0.100 0.000 1.035 321 E HN 0.619 nan 8.360 nan 0.000 0.419 322 E N 2.151 122.300 120.200 -0.085 0.000 2.268 322 E HA -0.082 4.268 4.350 0.001 0.000 0.195 322 E C 0.209 176.776 176.600 -0.056 0.000 0.995 322 E CA 0.850 57.209 56.400 -0.068 0.000 0.836 322 E CB 0.229 29.903 29.700 -0.043 0.000 0.763 322 E HN 0.385 nan 8.360 nan 0.000 0.491 323 K N 0.871 121.241 120.400 -0.051 0.000 2.140 323 K HA 0.129 4.450 4.320 0.001 0.000 0.237 323 K C 0.879 177.459 176.600 -0.032 0.000 1.045 323 K CA -0.030 56.234 56.287 -0.037 0.000 0.896 323 K CB 0.185 32.663 32.500 -0.036 0.000 1.122 323 K HN -0.001 nan 8.250 nan 0.000 0.503 324 T N -2.274 112.268 114.554 -0.019 0.000 2.816 324 T HA 0.070 4.420 4.350 0.001 0.000 0.282 324 T C 0.976 175.691 174.700 0.026 0.000 0.993 324 T CA -0.591 61.513 62.100 0.007 0.000 0.994 324 T CB 0.344 69.220 68.868 0.014 0.000 1.025 324 T HN 0.457 nan 8.240 nan 0.000 0.529 325 F N 0.822 120.704 119.950 -0.113 0.000 2.126 325 F HA 0.017 4.544 4.527 0.000 0.000 0.299 325 F C 1.917 177.624 175.800 -0.155 0.000 1.096 325 F CA 1.190 59.095 58.000 -0.159 0.000 1.255 325 F CB -0.809 38.063 39.000 -0.214 0.000 0.997 325 F HN 0.524 nan 8.300 nan 0.000 0.479 326 L N -0.223 120.855 121.223 -0.242 0.000 2.141 326 L HA -0.185 4.155 4.340 0.001 0.000 0.209 326 L C 2.289 179.049 176.870 -0.184 0.000 1.094 326 L CA 1.524 56.207 54.840 -0.262 0.000 0.763 326 L CB -0.604 41.416 42.059 -0.064 0.000 0.908 326 L HN 0.176 nan 8.230 nan 0.000 0.437 327 E N -0.668 119.461 120.200 -0.119 0.000 2.107 327 E HA -0.143 4.207 4.350 0.001 0.000 0.191 327 E C 2.255 178.792 176.600 -0.105 0.000 0.982 327 E CA 0.966 57.317 56.400 -0.081 0.000 0.809 327 E CB -0.004 29.668 29.700 -0.047 0.000 0.756 327 E HN 0.232 nan 8.360 nan 0.000 0.459 328 V N 1.035 120.866 119.914 -0.138 0.000 2.343 328 V HA -0.232 3.888 4.120 0.001 0.000 0.247 328 V C 2.319 178.312 176.094 -0.168 0.000 1.051 328 V CA 1.294 63.519 62.300 -0.126 0.000 1.036 328 V CB -0.414 31.354 31.823 -0.092 0.000 0.654 328 V HN 0.130 nan 8.190 nan 0.000 0.451 329 V N 0.267 119.987 119.914 -0.323 0.000 2.295 329 V HA -0.265 3.855 4.120 0.001 0.000 0.246 329 V C 2.745 178.775 176.094 -0.106 0.000 1.049 329 V CA 1.996 64.137 62.300 -0.265 0.000 1.024 329 V CB -1.199 30.341 31.823 -0.473 0.000 0.648 329 V HN 0.554 nan 8.190 nan 0.000 0.447 330 A N 1.187 123.950 122.820 -0.094 0.000 1.859 330 A HA -0.343 3.978 4.320 0.001 0.000 0.218 330 A C 2.192 179.759 177.584 -0.029 0.000 1.209 330 A CA 2.529 54.549 52.037 -0.028 0.000 0.639 330 A CB -0.791 18.195 19.000 -0.023 0.000 0.835 330 A HN 0.811 nan 8.150 nan 0.000 0.450 331 E N 0.405 120.581 120.200 -0.039 0.000 2.265 331 E HA -0.150 4.200 4.350 0.001 0.000 0.196 331 E C 1.770 178.350 176.600 -0.032 0.000 0.996 331 E CA 1.624 58.008 56.400 -0.026 0.000 0.832 331 E CB -0.470 29.214 29.700 -0.025 0.000 0.756 331 E HN 0.660 nan 8.360 nan 0.000 0.491 332 S N 0.783 116.454 115.700 -0.049 0.000 2.423 332 S HA -0.045 4.426 4.470 0.001 0.000 0.231 332 S C 1.715 176.262 174.600 -0.088 0.000 1.014 332 S CA 0.581 58.751 58.200 -0.049 0.000 0.965 332 S CB -0.289 62.888 63.200 -0.038 0.000 0.785 332 S HN 0.364 nan 8.310 nan 0.000 0.495 333 L N 1.015 122.158 121.223 -0.132 0.000 2.741 333 L HA 0.379 4.720 4.340 0.001 0.000 0.237 333 L C 1.693 178.531 176.870 -0.052 0.000 1.178 333 L CA 0.224 54.901 54.840 -0.271 0.000 0.973 333 L CB -0.321 41.393 42.059 -0.576 0.000 1.255 333 L HN 0.592 nan 8.230 nan 0.000 0.498 334 G N 0.212 109.011 108.800 -0.003 0.000 2.184 334 G HA2 -0.285 3.675 3.960 0.001 0.000 0.264 334 G HA3 -0.285 3.675 3.960 0.001 0.000 0.264 334 G C 0.415 175.350 174.900 0.059 0.000 0.975 334 G CA 0.227 45.354 45.100 0.045 0.000 0.642 334 G HN 0.271 nan 8.290 nan 0.000 0.536 335 L N -0.938 120.318 121.223 0.057 0.000 2.479 335 L HA 0.466 4.807 4.340 0.001 0.000 0.249 335 L C 1.672 178.564 176.870 0.036 0.000 1.178 335 L CA -0.753 54.126 54.840 0.065 0.000 0.811 335 L CB 0.346 42.456 42.059 0.086 0.000 1.187 335 L HN -0.117 nan 8.230 nan 0.000 0.480 336 K N 0.419 120.840 120.400 0.036 0.000 2.218 336 K HA 0.194 4.514 4.320 0.001 0.000 0.214 336 K C 0.405 177.016 176.600 0.018 0.000 1.033 336 K CA 0.651 56.951 56.287 0.022 0.000 0.949 336 K CB 0.132 32.644 32.500 0.021 0.000 0.993 336 K HN 0.366 nan 8.250 nan 0.000 0.464 337 K N 0.290 120.704 120.400 0.024 0.000 2.267 337 K HA 0.469 4.790 4.320 0.001 0.000 0.236 337 K C -0.855 175.765 176.600 0.034 0.000 1.030 337 K CA -0.490 55.810 56.287 0.021 0.000 0.930 337 K CB 1.042 33.554 32.500 0.020 0.000 1.182 337 K HN -0.058 nan 8.250 nan 0.000 0.474 338 L N 2.402 123.644 121.223 0.032 0.000 2.406 338 L HA 0.433 4.773 4.340 0.001 0.000 0.272 338 L C -0.483 176.407 176.870 0.033 0.000 0.980 338 L CA -0.772 54.097 54.840 0.048 0.000 0.831 338 L CB 1.836 43.923 42.059 0.047 0.000 1.253 338 L HN 0.620 nan 8.230 nan 0.000 0.406 339 R N 2.508 123.030 120.500 0.037 0.000 2.449 339 R HA 0.334 4.675 4.340 0.001 0.000 0.296 339 R C -0.945 175.355 176.300 -0.000 0.000 1.047 339 R CA -0.135 55.974 56.100 0.017 0.000 1.018 339 R CB 0.861 31.172 30.300 0.018 0.000 0.962 339 R HN 0.259 nan 8.270 nan 0.000 0.428 340 V N 4.263 124.171 119.914 -0.010 0.000 2.531 340 V HA 0.285 4.405 4.120 0.001 0.000 0.301 340 V C -0.137 175.933 176.094 -0.040 0.000 1.034 340 V CA -0.866 61.421 62.300 -0.023 0.000 0.865 340 V CB 2.057 33.881 31.823 0.002 0.000 0.995 340 V HN 0.418 nan 8.190 nan 0.000 0.424 341 V N 4.257 124.131 119.914 -0.065 0.000 2.435 341 V HA 0.469 4.590 4.120 0.001 0.000 0.290 341 V C 0.007 176.054 176.094 -0.078 0.000 1.030 341 V CA -0.616 61.632 62.300 -0.087 0.000 0.881 341 V CB 1.769 33.520 31.823 -0.121 0.000 0.983 341 V HN 0.930 nan 8.190 nan 0.000 0.445 342 E N 2.423 122.582 120.200 -0.069 0.000 2.214 342 E HA 0.646 4.997 4.350 0.001 0.000 0.274 342 E C -0.350 176.192 176.600 -0.096 0.000 0.977 342 E CA -0.536 55.828 56.400 -0.059 0.000 0.827 342 E CB 2.173 31.856 29.700 -0.028 0.000 1.130 342 E HN 0.842 nan 8.360 nan 0.000 0.394 343 T N -1.498 112.958 114.554 -0.164 0.000 2.858 343 T HA 0.796 5.147 4.350 0.001 0.000 0.285 343 T C 0.517 174.928 174.700 -0.481 0.000 1.052 343 T CA -0.248 61.678 62.100 -0.289 0.000 1.009 343 T CB 1.616 70.303 68.868 -0.302 0.000 1.241 343 T HN 0.810 nan 8.240 nan 0.000 0.542 352 R N 0.992 121.246 120.500 -0.409 0.000 2.390 352 R HA 0.386 4.726 4.340 0.001 0.000 0.291 352 R C 0.467 176.577 176.300 -0.317 0.000 1.070 352 R CA -0.309 55.407 56.100 -0.641 0.000 1.014 352 R CB 0.814 30.736 30.300 -0.630 0.000 1.007 352 R HN 0.403 nan 8.270 nan 0.000 0.466 353 E N 2.083 122.121 120.200 -0.269 0.000 2.015 353 E HA -0.181 4.169 4.350 0.001 0.000 0.191 353 E C 0.280 176.833 176.600 -0.079 0.000 0.991 353 E CA 1.735 58.062 56.400 -0.121 0.000 0.802 353 E CB 0.372 30.029 29.700 -0.072 0.000 0.759 353 E HN 0.660 nan 8.360 nan 0.000 0.447 354 Q N -2.723 117.035 119.800 -0.069 0.000 3.232 354 Q HA 0.312 4.653 4.340 0.001 0.000 0.348 354 Q C -1.109 174.919 176.000 0.047 0.000 0.877 354 Q CA -1.018 54.794 55.803 0.015 0.000 0.835 354 Q CB 0.387 29.162 28.738 0.062 0.000 1.450 354 Q HN 0.183 nan 8.270 nan 0.000 0.471 355 W N 2.285 123.552 121.300 -0.055 0.000 2.417 355 W HA 0.463 5.123 4.660 0.000 0.000 0.317 355 W C -1.425 175.078 176.519 -0.026 0.000 1.121 355 W CA 0.146 57.460 57.345 -0.052 0.000 1.208 355 W CB 1.239 30.672 29.460 -0.045 0.000 1.253 355 W HN 0.661 nan 8.180 nan 0.000 0.533 356 D N 4.203 124.152 120.400 -0.751 0.000 2.927 356 D HA 0.076 4.717 4.640 0.001 0.000 0.219 356 D C -1.822 173.898 176.300 -0.966 0.000 1.248 356 D CA -0.561 53.086 54.000 -0.588 0.000 0.861 356 D CB 1.858 42.548 40.800 -0.183 0.000 1.677 356 D HN 0.268 nan 8.370 nan 0.000 0.511 357 D N 1.423 121.404 120.400 -0.697 0.000 2.454 357 D HA 0.336 4.977 4.640 0.001 0.000 0.225 357 D C 0.785 177.000 176.300 -0.142 0.000 1.081 357 D CA -0.440 53.288 54.000 -0.454 0.000 0.864 357 D CB 1.223 41.930 40.800 -0.155 0.000 1.040 357 D HN 0.615 nan 8.370 nan 0.000 0.517 358 G N 3.284 111.992 108.800 -0.153 0.000 3.233 358 G HA2 -0.057 3.904 3.960 0.001 0.000 0.227 358 G HA3 -0.057 3.904 3.960 0.001 0.000 0.227 358 G C 0.780 175.643 174.900 -0.061 0.000 1.175 358 G CA -0.337 44.718 45.100 -0.075 0.000 0.781 358 G HN 0.348 nan 8.290 nan 0.000 0.542 359 N N 0.946 119.623 118.700 -0.037 0.000 2.381 359 N HA 0.082 4.822 4.740 0.001 0.000 0.254 359 N C 0.733 176.226 175.510 -0.028 0.000 1.264 359 N CA -0.039 52.992 53.050 -0.033 0.000 0.942 359 N CB 0.381 38.887 38.487 0.033 0.000 1.190 359 N HN 0.229 nan 8.380 nan 0.000 0.495 360 N N -1.048 117.609 118.700 -0.071 0.000 2.952 360 N HA -0.175 4.565 4.740 0.001 0.000 0.245 360 N C -0.377 175.112 175.510 -0.035 0.000 1.029 360 N CA 0.173 53.192 53.050 -0.053 0.000 0.870 360 N CB -1.067 37.432 38.487 0.020 0.000 1.121 360 N HN 0.367 nan 8.380 nan 0.000 0.559 361 V N -1.525 118.349 119.914 -0.066 0.000 3.185 361 V HA 0.605 4.725 4.120 0.001 0.000 0.305 361 V C 0.878 177.016 176.094 0.073 0.000 1.090 361 V CA -0.356 61.918 62.300 -0.042 0.000 1.107 361 V CB 1.801 33.593 31.823 -0.052 0.000 1.061 361 V HN -0.005 nan 8.190 nan 0.000 0.480 362 V N 2.934 122.915 119.914 0.112 0.000 2.540 362 V HA 0.494 4.614 4.120 0.001 0.000 0.302 362 V C 0.045 176.219 176.094 0.133 0.000 1.035 362 V CA -0.439 61.983 62.300 0.203 0.000 0.873 362 V CB 1.226 33.177 31.823 0.213 0.000 0.992 362 V HN 1.266 nan 8.190 nan 0.000 0.428 363 C N 6.365 125.744 119.300 0.130 0.000 2.536 363 C HA 0.366 4.826 4.460 0.001 0.000 0.396 363 C C 1.608 176.634 174.990 0.059 0.000 1.279 363 C CA -0.407 58.659 59.018 0.081 0.000 2.148 363 C CB 0.391 28.178 27.740 0.078 0.000 2.584 363 C HN 0.909 nan 8.230 nan 0.000 0.579 364 L N 1.479 122.722 121.223 0.033 0.000 2.638 364 L HA 0.251 4.591 4.340 0.001 0.000 0.232 364 L C 0.782 177.654 176.870 0.004 0.000 1.099 364 L CA 0.478 55.323 54.840 0.010 0.000 0.883 364 L CB -0.355 41.701 42.059 -0.005 0.000 1.136 364 L HN 0.929 nan 8.230 nan 0.000 0.492 365 E N -1.766 118.440 120.200 0.011 0.000 2.377 365 E HA 0.202 4.552 4.350 0.001 0.000 0.277 365 E C -2.973 173.630 176.600 0.005 0.000 1.190 365 E CA -1.524 54.878 56.400 0.004 0.000 0.917 365 E CB 0.307 30.003 29.700 -0.007 0.000 1.296 365 E HN -0.316 nan 8.360 nan 0.000 0.417 366 P HA 0.111 nan 4.420 nan 0.000 0.261 366 P C 0.729 178.028 177.300 -0.002 0.000 1.183 366 P CA 2.127 65.225 63.100 -0.004 0.000 0.761 366 P CB 0.475 32.161 31.700 -0.023 0.000 0.785 367 G N 1.624 110.428 108.800 0.006 0.000 2.205 367 G HA2 -0.214 3.746 3.960 0.001 0.000 0.261 367 G HA3 -0.214 3.746 3.960 0.001 0.000 0.261 367 G C -0.038 174.863 174.900 0.001 0.000 0.980 367 G CA 0.019 45.120 45.100 0.002 0.000 0.632 367 G HN 0.539 nan 8.290 nan 0.000 0.533 368 V N 0.656 120.573 119.914 0.005 0.000 2.378 368 V HA 0.776 4.896 4.120 0.001 0.000 0.288 368 V C 0.064 176.168 176.094 0.016 0.000 1.016 368 V CA -0.681 61.622 62.300 0.006 0.000 0.840 368 V CB 1.674 33.497 31.823 0.001 0.000 0.994 368 V HN 0.295 nan 8.190 nan 0.000 0.431 369 V N 5.060 124.983 119.914 0.015 0.000 3.102 369 V HA 0.648 4.768 4.120 0.001 0.000 0.312 369 V C -0.848 175.262 176.094 0.026 0.000 1.135 369 V CA -0.519 61.796 62.300 0.025 0.000 1.022 369 V CB 3.024 34.853 31.823 0.010 0.000 1.056 369 V HN 0.577 nan 8.190 nan 0.000 0.436 370 V N 2.524 122.462 119.914 0.039 0.000 2.487 370 V HA 0.921 5.042 4.120 0.001 0.000 0.298 370 V C 0.405 176.465 176.094 -0.057 0.000 1.028 370 V CA 0.305 62.629 62.300 0.040 0.000 0.860 370 V CB 1.241 33.173 31.823 0.181 0.000 0.991 370 V HN 1.067 nan 8.190 nan 0.000 0.427 371 G N 2.657 111.401 108.800 -0.094 0.000 2.866 371 G HA2 0.627 4.588 3.960 0.001 0.000 0.289 371 G HA3 0.627 4.588 3.960 0.001 0.000 0.289 371 G C -1.743 173.061 174.900 -0.159 0.000 1.396 371 G CA -0.687 44.310 45.100 -0.172 0.000 0.848 371 G HN 0.429 nan 8.290 nan 0.000 0.515 372 Y N 0.443 120.723 120.300 -0.034 0.000 2.307 372 Y HA 0.180 4.730 4.550 0.000 0.000 0.324 372 Y C 1.863 177.757 175.900 -0.010 0.000 1.238 372 Y CA -0.342 57.742 58.100 -0.027 0.000 1.280 372 Y CB 1.596 40.048 38.460 -0.014 0.000 1.248 372 Y HN 0.689 nan 8.280 nan 0.000 0.508 373 D N 1.277 121.803 120.400 0.210 0.000 2.178 373 D HA -0.231 4.410 4.640 0.001 0.000 0.201 373 D C 1.574 177.928 176.300 0.090 0.000 0.980 373 D CA 1.502 55.569 54.000 0.112 0.000 0.842 373 D CB -0.273 40.580 40.800 0.089 0.000 0.948 373 D HN 0.725 nan 8.370 nan 0.000 0.472 374 R N 0.164 120.721 120.500 0.094 0.000 2.148 374 R HA 0.038 4.378 4.340 0.001 0.000 0.223 374 R C 0.253 176.591 176.300 0.063 0.000 1.088 374 R CA 0.526 56.662 56.100 0.060 0.000 0.985 374 R CB -0.556 29.757 30.300 0.022 0.000 0.880 374 R HN -0.052 nan 8.270 nan 0.000 0.451 375 N N 2.340 121.086 118.700 0.077 0.000 2.968 375 N HA -0.015 4.726 4.740 0.001 0.000 0.271 375 N C 0.390 175.926 175.510 0.044 0.000 1.174 375 N CA 0.570 53.647 53.050 0.044 0.000 1.096 375 N CB 1.446 39.952 38.487 0.031 0.000 1.403 375 N HN 0.384 nan 8.380 nan 0.000 0.522 376 T N -1.610 112.980 114.554 0.060 0.000 2.737 376 T HA -0.211 4.139 4.350 0.001 0.000 0.265 376 T C 1.792 176.544 174.700 0.087 0.000 1.038 376 T CA 0.785 62.924 62.100 0.065 0.000 1.144 376 T CB -0.557 68.351 68.868 0.067 0.000 0.866 376 T HN 0.362 nan 8.240 nan 0.000 0.434 377 Y N 2.589 122.864 120.300 -0.043 0.000 2.070 377 Y HA -0.146 4.404 4.550 0.000 0.000 0.280 377 Y C 2.772 178.634 175.900 -0.064 0.000 1.148 377 Y CA 2.099 60.166 58.100 -0.054 0.000 1.125 377 Y CB -1.044 37.373 38.460 -0.072 0.000 0.975 377 Y HN 0.249 nan 8.280 nan 0.000 0.492 378 T N 0.934 115.442 114.554 -0.078 0.000 2.759 378 T HA -0.186 4.164 4.350 0.001 0.000 0.269 378 T C 1.675 176.278 174.700 -0.161 0.000 1.042 378 T CA 1.473 63.455 62.100 -0.197 0.000 1.140 378 T CB -0.326 68.472 68.868 -0.118 0.000 0.864 378 T HN 0.356 nan 8.240 nan 0.000 0.455 379 N N 0.923 119.572 118.700 -0.084 0.000 2.188 379 N HA -0.078 4.662 4.740 0.001 0.000 0.184 379 N C 2.255 177.717 175.510 -0.080 0.000 1.018 379 N CA 1.741 54.755 53.050 -0.060 0.000 0.858 379 N CB -0.513 37.966 38.487 -0.015 0.000 0.989 379 N HN 0.629 nan 8.380 nan 0.000 0.426 380 T N -1.740 112.754 114.554 -0.099 0.000 3.067 380 T HA 0.132 4.482 4.350 0.001 0.000 0.261 380 T C 1.960 176.569 174.700 -0.151 0.000 1.110 380 T CA 0.255 62.297 62.100 -0.096 0.000 1.113 380 T CB -0.183 68.654 68.868 -0.052 0.000 0.917 380 T HN 0.062 nan 8.240 nan 0.000 0.499 381 L N -0.065 121.005 121.223 -0.254 0.000 2.240 381 L HA 0.254 4.595 4.340 0.001 0.000 0.211 381 L C 2.495 179.269 176.870 -0.160 0.000 1.106 381 L CA 0.595 55.280 54.840 -0.259 0.000 0.793 381 L CB -0.415 41.402 42.059 -0.404 0.000 0.927 381 L HN 0.246 nan 8.230 nan 0.000 0.446 382 L N -0.663 120.478 121.223 -0.137 0.000 2.240 382 L HA -0.070 4.271 4.340 0.001 0.000 0.211 382 L C 2.755 179.586 176.870 -0.065 0.000 1.106 382 L CA 0.756 55.541 54.840 -0.091 0.000 0.793 382 L CB -0.322 41.689 42.059 -0.080 0.000 0.927 382 L HN 0.210 nan 8.230 nan 0.000 0.446 383 R N -0.016 120.446 120.500 -0.064 0.000 2.093 383 R HA -0.102 4.238 4.340 0.001 0.000 0.224 383 R C 2.141 178.415 176.300 -0.043 0.000 1.101 383 R CA 0.626 56.700 56.100 -0.043 0.000 0.979 383 R CB -0.241 30.038 30.300 -0.036 0.000 0.877 383 R HN 0.269 nan 8.270 nan 0.000 0.441 384 K N 1.299 121.664 120.400 -0.057 0.000 2.097 384 K HA -0.046 4.274 4.320 0.001 0.000 0.206 384 K C 1.556 178.130 176.600 -0.044 0.000 1.049 384 K CA 1.353 57.610 56.287 -0.050 0.000 0.933 384 K CB 0.030 32.491 32.500 -0.065 0.000 0.717 384 K HN 0.108 nan 8.250 nan 0.000 0.442 385 A N 0.106 122.895 122.820 -0.052 0.000 2.259 385 A HA 0.221 4.541 4.320 0.001 0.000 0.208 385 A C 1.022 178.589 177.584 -0.027 0.000 1.201 385 A CA 0.740 52.753 52.037 -0.040 0.000 0.824 385 A CB -0.261 18.710 19.000 -0.048 0.000 0.838 385 A HN 0.544 nan 8.150 nan 0.000 0.485 386 G N -1.808 106.976 108.800 -0.027 0.000 2.134 386 G HA2 -0.139 3.821 3.960 0.001 0.000 0.209 386 G HA3 -0.139 3.821 3.960 0.001 0.000 0.209 386 G C -0.075 174.815 174.900 -0.017 0.000 0.993 386 G CA -0.022 45.067 45.100 -0.019 0.000 0.669 386 G HN 0.862 nan 8.290 nan 0.000 0.519 387 V N 0.554 120.455 119.914 -0.022 0.000 2.459 387 V HA 0.544 4.664 4.120 0.001 0.000 0.295 387 V C 0.515 176.599 176.094 -0.017 0.000 1.029 387 V CA -0.899 61.390 62.300 -0.017 0.000 0.874 387 V CB 1.912 33.723 31.823 -0.019 0.000 0.985 387 V HN 0.406 nan 8.190 nan 0.000 0.438 388 E N 3.346 123.539 120.200 -0.011 0.000 2.257 388 E HA 0.325 4.675 4.350 0.001 0.000 0.278 388 E C -1.197 175.399 176.600 -0.008 0.000 1.049 388 E CA -0.275 56.119 56.400 -0.010 0.000 0.876 388 E CB 1.182 30.878 29.700 -0.007 0.000 1.035 388 E HN 0.528 nan 8.360 nan 0.000 0.419 389 V N 7.302 127.210 119.914 -0.009 0.000 2.275 389 V HA 0.183 4.303 4.120 0.001 0.000 0.272 389 V C 0.107 176.202 176.094 0.001 0.000 1.028 389 V CA -0.810 61.485 62.300 -0.007 0.000 0.810 389 V CB 0.557 32.370 31.823 -0.016 0.000 1.043 389 V HN 0.637 nan 8.190 nan 0.000 0.453 390 I N 4.157 124.732 120.570 0.009 0.000 2.634 390 I HA 0.294 4.464 4.170 0.001 0.000 0.284 390 I C 0.819 176.948 176.117 0.021 0.000 1.124 390 I CA 0.531 61.842 61.300 0.018 0.000 1.417 390 I CB 1.130 39.148 38.000 0.030 0.000 1.396 390 I HN 0.691 nan 8.210 nan 0.000 0.571 391 T N 4.867 119.439 114.554 0.029 0.000 2.863 391 T HA 0.814 5.165 4.350 0.001 0.000 0.285 391 T C -0.416 174.317 174.700 0.056 0.000 1.009 391 T CA -0.771 61.351 62.100 0.037 0.000 0.989 391 T CB 1.973 70.870 68.868 0.048 0.000 1.004 391 T HN 0.524 nan 8.240 nan 0.000 0.455 392 I N -0.397 120.211 120.570 0.064 0.000 2.957 392 I HA 0.757 4.927 4.170 0.001 0.000 0.310 392 I C 0.035 176.260 176.117 0.181 0.000 1.063 392 I CA -1.152 60.203 61.300 0.090 0.000 1.033 392 I CB 2.128 40.136 38.000 0.014 0.000 1.230 392 I HN 0.672 nan 8.210 nan 0.000 0.447 393 S N 1.857 117.643 115.700 0.143 0.000 2.528 393 S HA 0.522 4.992 4.470 0.001 0.000 0.277 393 S C 0.763 175.425 174.600 0.103 0.000 1.297 393 S CA 0.149 58.417 58.200 0.113 0.000 1.052 393 S CB 1.151 64.390 63.200 0.064 0.000 0.917 393 S HN 0.826 nan 8.310 nan 0.000 0.492 394 A N 4.052 126.818 122.820 -0.092 0.000 2.115 394 A HA 0.193 4.513 4.320 0.001 0.000 0.211 394 A C 2.105 179.549 177.584 -0.233 0.000 1.169 394 A CA 0.650 52.384 52.037 -0.506 0.000 0.787 394 A CB -0.692 17.722 19.000 -0.976 0.000 0.858 394 A HN 0.805 nan 8.150 nan 0.000 0.474 395 S N 0.337 115.989 115.700 -0.081 0.000 2.428 395 S HA -0.194 4.276 4.470 0.001 0.000 0.240 395 S C 1.583 176.215 174.600 0.054 0.000 1.036 395 S CA 1.888 60.091 58.200 0.005 0.000 1.009 395 S CB -0.099 63.136 63.200 0.058 0.000 0.803 395 S HN 0.670 nan 8.310 nan 0.000 0.486 396 E N -0.534 119.701 120.200 0.058 0.000 2.520 396 E HA 0.232 4.582 4.350 0.001 0.000 0.201 396 E C 1.846 178.530 176.600 0.141 0.000 0.894 396 E CA 0.040 56.511 56.400 0.118 0.000 1.161 396 E CB -0.702 29.071 29.700 0.122 0.000 1.137 396 E HN 0.281 nan 8.360 nan 0.000 0.510 397 L N 1.270 122.575 121.223 0.136 0.000 2.131 397 L HA -0.014 4.326 4.340 0.001 0.000 0.210 397 L C 2.210 179.221 176.870 0.234 0.000 1.092 397 L CA 2.008 56.983 54.840 0.224 0.000 0.759 397 L CB -0.976 41.242 42.059 0.264 0.000 0.903 397 L HN 0.233 nan 8.230 nan 0.000 0.435 398 G N -1.386 107.417 108.800 0.005 0.000 2.712 398 G HA2 -0.100 3.860 3.960 0.001 0.000 0.212 398 G HA3 -0.100 3.860 3.960 0.001 0.000 0.212 398 G C 1.726 176.608 174.900 -0.031 0.000 1.142 398 G CA -0.059 44.958 45.100 -0.140 0.000 0.789 398 G HN 0.304 nan 8.290 nan 0.000 0.535 399 R N 0.218 120.731 120.500 0.021 0.000 2.115 399 R HA 0.002 4.342 4.340 0.001 0.000 0.226 399 R C 2.560 178.856 176.300 -0.007 0.000 1.100 399 R CA 0.766 56.881 56.100 0.025 0.000 0.980 399 R CB -0.344 30.000 30.300 0.074 0.000 0.875 399 R HN 0.248 nan 8.270 nan 0.000 0.445 400 G N 0.687 109.510 108.800 0.038 0.000 2.807 400 G HA2 -0.167 3.793 3.960 0.001 0.000 0.207 400 G HA3 -0.167 3.793 3.960 0.001 0.000 0.207 400 G C 0.375 175.240 174.900 -0.059 0.000 1.151 400 G CA 0.096 45.155 45.100 -0.068 0.000 0.800 400 G HN 0.350 nan 8.290 nan 0.000 0.523 401 R N -2.392 118.088 120.500 -0.034 0.000 3.769 401 R HA -0.162 4.179 4.340 0.001 0.000 0.443 401 R C 1.187 177.456 176.300 -0.051 0.000 0.647 401 R CA 1.110 57.172 56.100 -0.064 0.000 1.563 401 R CB -1.776 28.431 30.300 -0.155 0.000 2.174 401 R HN 0.498 nan 8.270 nan 0.000 0.403 402 G N -0.137 108.629 108.800 -0.058 0.000 2.410 402 G HA2 0.634 4.594 3.960 0.001 0.000 0.330 402 G HA3 0.634 4.594 3.960 0.001 0.000 0.330 402 G C 0.177 175.256 174.900 0.297 0.000 1.142 402 G CA 0.176 45.234 45.100 -0.070 0.000 0.902 402 G HN 0.227 nan 8.290 nan 0.000 0.491 403 G N -0.581 108.327 108.800 0.180 0.000 2.990 403 G HA2 0.485 4.445 3.960 0.001 0.000 0.208 403 G HA3 0.485 4.445 3.960 0.001 0.000 0.208 403 G C 1.209 176.032 174.900 -0.128 0.000 1.334 403 G CA 0.321 45.411 45.100 -0.017 0.000 1.024 403 G HN 0.949 nan 8.290 nan 0.000 0.574 404 G N -1.401 107.192 108.800 -0.346 0.000 2.440 404 G HA2 -0.136 3.824 3.960 0.001 0.000 0.218 404 G HA3 -0.136 3.824 3.960 0.001 0.000 0.218 404 G C 0.962 175.918 174.900 0.095 0.000 1.154 404 G CA 0.809 45.763 45.100 -0.243 0.000 0.767 404 G HN 0.588 nan 8.290 nan 0.000 0.552 408 T N -1.874 112.817 114.554 0.229 0.000 2.916 408 T HA 0.515 4.865 4.350 0.001 0.000 0.298 408 T C -0.882 173.872 174.700 0.091 0.000 1.031 408 T CA -0.777 61.413 62.100 0.152 0.000 0.993 408 T CB 2.272 71.210 68.868 0.116 0.000 1.045 408 T HN 0.246 nan 8.240 nan 0.000 0.454 409 C N 5.048 124.415 119.300 0.112 0.000 2.357 409 C HA 0.540 5.001 4.460 0.001 0.000 0.300 409 C C -2.653 172.414 174.990 0.128 0.000 1.074 409 C CA -2.130 56.977 59.018 0.148 0.000 1.566 409 C CB -1.127 26.749 27.740 0.227 0.000 1.791 409 C HN 0.718 nan 8.230 nan 0.000 0.415 410 P HA 0.048 nan 4.420 nan 0.000 0.258 410 P C 0.501 177.752 177.300 -0.081 0.000 1.172 410 P CA 0.941 64.045 63.100 0.007 0.000 0.762 410 P CB 0.289 32.002 31.700 0.022 0.000 0.764 411 I N 2.301 122.700 120.570 -0.286 0.000 3.300 411 I HA 0.044 4.214 4.170 0.001 0.000 0.279 411 I C 0.397 176.194 176.117 -0.533 0.000 1.172 411 I CA 0.564 61.411 61.300 -0.754 0.000 1.431 411 I CB 0.417 37.975 38.000 -0.737 0.000 1.240 411 I HN 0.025 nan 8.210 nan 0.000 0.453 412 V N 2.286 122.028 119.914 -0.285 0.000 2.483 412 V HA 0.476 4.596 4.120 0.001 0.000 0.297 412 V C -0.585 175.471 176.094 -0.063 0.000 1.027 412 V CA -0.552 61.656 62.300 -0.153 0.000 0.855 412 V CB 2.051 33.794 31.823 -0.134 0.000 0.995 412 V HN 0.229 nan 8.190 nan 0.000 0.424 413 R N 2.809 123.315 120.500 0.010 0.000 2.548 413 R HA 0.420 4.760 4.340 0.001 0.000 0.280 413 R C -1.405 174.981 176.300 0.144 0.000 1.061 413 R CA -0.630 55.499 56.100 0.049 0.000 0.915 413 R CB 1.915 32.235 30.300 0.034 0.000 1.210 413 R HN 0.672 nan 8.270 nan 0.000 0.442 414 D N 4.318 124.783 120.400 0.109 0.000 2.357 414 D HA 0.220 4.860 4.640 0.001 0.000 0.242 414 D C -2.137 174.249 176.300 0.143 0.000 1.153 414 D CA -1.256 52.816 54.000 0.121 0.000 0.918 414 D CB 1.058 41.886 40.800 0.046 0.000 1.181 414 D HN 0.308 nan 8.370 nan 0.000 0.435 415 P HA 0.337 nan 4.420 nan 0.000 0.279 415 P C -0.469 176.860 177.300 0.049 0.000 1.282 415 P CA -0.304 62.880 63.100 0.139 0.000 0.788 415 P CB 0.800 32.547 31.700 0.078 0.000 1.139 416 I N -0.073 120.517 120.570 0.033 0.000 2.582 416 I HA 0.193 4.363 4.170 0.001 0.000 0.292 416 I C -0.269 175.682 176.117 -0.277 0.000 1.066 416 I CA -0.674 60.515 61.300 -0.185 0.000 1.053 416 I CB 1.861 39.645 38.000 -0.359 0.000 1.241 416 I HN 0.096 nan 8.210 nan 0.000 0.421 417 D N 6.190 126.421 120.400 -0.282 0.000 2.429 417 D HA 0.072 4.713 4.640 0.001 0.000 0.253 417 D C -0.654 175.501 176.300 -0.242 0.000 1.294 417 D CA 0.858 54.743 54.000 -0.193 0.000 1.063 417 D CB -0.010 40.713 40.800 -0.127 0.000 1.096 417 D HN 0.203 nan 8.370 nan 0.000 0.516 418 Y N 0.000 120.303 120.300 0.005 0.000 2.660 418 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 418 Y CA 0.000 58.105 58.100 0.008 0.000 1.940 418 Y CB 0.000 38.469 38.460 0.014 0.000 1.050 418 Y HN 0.000 nan 8.280 nan 0.000 0.758