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 1dlq_1_B DATA FIRST_RESID 3 DATA SEQUENCE VKIFNTQDVQ DFLRVASGLE QEGGNPRVKQ IIHRVLSDLY KAIEDLNITS DATA SEQUENCE DEYWAGVAYL NQLGANQEAG LLSPGLGFDH YLDMRMDAED AALGIENATP DATA SEQUENCE RTIEGPLYVA GAPESVGYAR MDDGSDPNGH TLILHGTIFD ADGKPLPNAK DATA SEQUENCE VEIWHANTKG FYSHFDPTGE QQAFNMRRSI ITDENGQYRV RTILPAGYGC DATA SEQUENCE PPEGPTQQLL NQLGRHGNRP AHIHYFVSAD GHRKLTTQIN VAGDPYTYDD DATA SEQUENCE FAYATREGLV VDAVEHTDPE AIKANDVEGP FAEMVFDLKL TRLVDGVDNQ DATA SEQUENCE VVDRPRLAV 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.108 176.094 0.023 0.000 1.182 3 V CA 0.000 62.308 62.300 0.014 0.000 1.235 3 V CB 0.000 31.828 31.823 0.008 0.000 1.184 4 K N 5.353 125.773 120.400 0.033 0.000 2.565 4 K HA 0.616 4.936 4.320 -0.000 0.000 0.249 4 K C 0.128 176.769 176.600 0.068 0.000 0.958 4 K CA -0.331 55.990 56.287 0.058 0.000 0.806 4 K CB 2.582 35.118 32.500 0.060 0.000 1.194 4 K HN 0.775 nan 8.250 nan 0.000 0.434 5 I N -1.907 118.720 120.570 0.095 0.000 4.439 5 I HA 0.207 4.377 4.170 -0.000 0.000 0.331 5 I C 1.391 177.580 176.117 0.120 0.000 1.345 5 I CA -0.323 61.025 61.300 0.081 0.000 1.193 5 I CB 0.064 38.093 38.000 0.048 0.000 1.221 5 I HN 0.263 nan 8.210 nan 0.000 0.429 6 F N 3.705 123.685 119.950 0.049 0.000 2.065 6 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 6 F C 1.501 177.340 175.800 0.066 0.000 1.112 6 F CA 2.089 60.135 58.000 0.078 0.000 1.212 6 F CB -0.444 38.599 39.000 0.071 0.000 0.975 6 F HN 0.107 nan 8.300 nan 0.000 0.476 7 N N -0.431 118.254 118.700 -0.025 0.000 2.421 7 N HA 0.039 4.779 4.740 -0.000 0.000 0.201 7 N C -0.231 175.222 175.510 -0.095 0.000 1.198 7 N CA 0.555 53.525 53.050 -0.134 0.000 0.838 7 N CB -0.133 38.376 38.487 0.036 0.000 1.011 7 N HN 0.339 nan 8.380 nan 0.000 0.463 8 T N -3.075 111.433 114.554 -0.076 0.000 2.849 8 T HA 0.137 4.487 4.350 -0.000 0.000 0.284 8 T C 1.226 175.889 174.700 -0.061 0.000 1.004 8 T CA -0.642 61.431 62.100 -0.044 0.000 1.021 8 T CB 1.393 70.250 68.868 -0.018 0.000 1.013 8 T HN -0.122 nan 8.240 nan 0.000 0.527 9 Q N 0.697 120.476 119.800 -0.035 0.000 2.030 9 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 9 Q C 1.982 177.976 176.000 -0.010 0.000 0.986 9 Q CA 1.998 57.785 55.803 -0.026 0.000 0.843 9 Q CB -0.610 28.120 28.738 -0.012 0.000 0.904 9 Q HN 0.758 nan 8.270 nan 0.000 0.420 10 D N -0.289 120.109 120.400 -0.003 0.000 2.133 10 D HA -0.159 4.481 4.640 -0.000 0.000 0.192 10 D C 1.980 178.313 176.300 0.056 0.000 1.001 10 D CA 1.508 55.515 54.000 0.013 0.000 0.844 10 D CB -0.079 40.712 40.800 -0.016 0.000 0.944 10 D HN 0.116 nan 8.370 nan 0.000 0.447 11 V N 1.301 121.237 119.914 0.038 0.000 2.453 11 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 11 V C 2.508 178.644 176.094 0.069 0.000 1.048 11 V CA 1.219 63.589 62.300 0.116 0.000 1.049 11 V CB -0.326 31.541 31.823 0.073 0.000 0.672 11 V HN 0.096 nan 8.190 nan 0.000 0.457 12 Q N -0.124 119.637 119.800 -0.064 0.000 2.119 12 Q HA -0.179 4.161 4.340 -0.000 0.000 0.201 12 Q C 1.998 178.007 176.000 0.014 0.000 0.972 12 Q CA 1.466 57.213 55.803 -0.093 0.000 0.847 12 Q CB -0.492 28.171 28.738 -0.126 0.000 0.903 12 Q HN 0.617 nan 8.270 nan 0.000 0.433 13 D N -0.191 120.239 120.400 0.049 0.000 2.183 13 D HA -0.102 4.538 4.640 -0.000 0.000 0.203 13 D C 1.636 178.014 176.300 0.130 0.000 0.969 13 D CA 0.405 54.446 54.000 0.069 0.000 0.842 13 D CB -0.252 40.586 40.800 0.064 0.000 0.957 13 D HN 0.132 nan 8.370 nan 0.000 0.484 14 F N 1.610 121.564 119.950 0.006 0.000 2.134 14 F HA -0.146 4.381 4.527 0.000 0.000 0.299 14 F C 1.976 177.789 175.800 0.022 0.000 1.097 14 F CA 0.775 58.795 58.000 0.033 0.000 1.264 14 F CB -0.216 38.827 39.000 0.072 0.000 1.001 14 F HN -0.148 nan 8.300 nan 0.000 0.479 15 L N 0.437 121.604 121.223 -0.094 0.000 2.083 15 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 15 L C 2.469 179.317 176.870 -0.037 0.000 1.083 15 L CA 1.630 56.326 54.840 -0.240 0.000 0.752 15 L CB -1.338 40.563 42.059 -0.263 0.000 0.899 15 L HN 0.219 nan 8.230 nan 0.000 0.433 16 R N -1.183 119.340 120.500 0.039 0.000 2.092 16 R HA -0.076 4.264 4.340 -0.000 0.000 0.231 16 R C 2.224 178.494 176.300 -0.050 0.000 1.119 16 R CA 0.828 56.924 56.100 -0.007 0.000 0.970 16 R CB -0.236 30.033 30.300 -0.051 0.000 0.864 16 R HN 0.198 nan 8.270 nan 0.000 0.440 17 V N 0.995 120.871 119.914 -0.062 0.000 2.323 17 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 17 V C 2.429 178.456 176.094 -0.111 0.000 1.041 17 V CA 1.918 64.183 62.300 -0.059 0.000 1.025 17 V CB -0.645 31.178 31.823 -0.001 0.000 0.656 17 V HN 0.362 nan 8.190 nan 0.000 0.451 18 A N -0.354 122.318 122.820 -0.245 0.000 2.019 18 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 18 A C 2.327 179.837 177.584 -0.123 0.000 1.164 18 A CA 2.043 53.932 52.037 -0.247 0.000 0.644 18 A CB -0.477 18.247 19.000 -0.461 0.000 0.805 18 A HN 0.516 nan 8.150 nan 0.000 0.449 19 S N -1.581 114.068 115.700 -0.083 0.000 2.558 19 S HA 0.334 4.804 4.470 -0.000 0.000 0.217 19 S C 1.433 176.018 174.600 -0.026 0.000 0.975 19 S CA 0.721 58.908 58.200 -0.022 0.000 0.912 19 S CB -0.008 63.237 63.200 0.075 0.000 0.776 19 S HN 1.589 nan 8.310 nan 0.000 0.526 20 G N 1.305 110.082 108.800 -0.038 0.000 2.153 20 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.252 20 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.252 20 G C 0.624 175.499 174.900 -0.041 0.000 0.994 20 G CA 0.359 45.440 45.100 -0.031 0.000 0.698 20 G HN 0.392 nan 8.290 nan 0.000 0.521 21 L N 0.034 121.220 121.223 -0.063 0.000 2.012 21 L HA 0.034 4.374 4.340 -0.000 0.000 0.210 21 L C 2.446 179.277 176.870 -0.065 0.000 1.073 21 L CA 2.587 57.374 54.840 -0.089 0.000 0.748 21 L CB -0.524 41.438 42.059 -0.163 0.000 0.891 21 L HN 0.311 nan 8.230 nan 0.000 0.431 22 E N -1.340 118.829 120.200 -0.052 0.000 2.489 22 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 22 E C 0.558 177.143 176.600 -0.024 0.000 1.057 22 E CA -0.039 56.340 56.400 -0.036 0.000 0.866 22 E CB -0.138 29.546 29.700 -0.028 0.000 0.916 22 E HN 0.279 nan 8.360 nan 0.000 0.500 23 Q N 0.325 120.111 119.800 -0.024 0.000 2.327 23 Q HA 0.062 4.402 4.340 -0.000 0.000 0.254 23 Q C 0.839 176.830 176.000 -0.016 0.000 0.952 23 Q CA 0.303 56.096 55.803 -0.016 0.000 0.884 23 Q CB 1.049 29.778 28.738 -0.014 0.000 1.224 23 Q HN 0.120 nan 8.270 nan 0.000 0.422 24 E N 1.558 121.752 120.200 -0.011 0.000 2.076 24 E HA 0.035 4.385 4.350 -0.000 0.000 0.190 24 E C 0.308 176.903 176.600 -0.009 0.000 0.979 24 E CA 0.625 57.019 56.400 -0.010 0.000 0.807 24 E CB 0.079 29.774 29.700 -0.007 0.000 0.761 24 E HN 0.790 nan 8.360 nan 0.000 0.454 25 G N -0.616 108.180 108.800 -0.007 0.000 2.557 25 G HA2 0.488 4.448 3.960 -0.000 0.000 0.292 25 G HA3 0.488 4.448 3.960 -0.000 0.000 0.292 25 G C 0.122 175.018 174.900 -0.006 0.000 1.237 25 G CA -0.041 45.056 45.100 -0.005 0.000 0.978 25 G HN 0.505 nan 8.290 nan 0.000 0.498 26 G N -1.110 107.687 108.800 -0.004 0.000 2.592 26 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.684 26 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.684 26 G C -0.434 174.463 174.900 -0.005 0.000 1.291 26 G CA -0.067 45.030 45.100 -0.004 0.000 0.891 26 G HN 1.026 nan 8.290 nan 0.000 0.544 27 N N 1.377 120.075 118.700 -0.004 0.000 2.501 27 N HA 0.512 5.252 4.740 -0.000 0.000 0.245 27 N C -0.559 174.948 175.510 -0.005 0.000 0.974 27 N CA -1.861 51.187 53.050 -0.003 0.000 0.941 27 N CB 1.692 40.179 38.487 -0.001 0.000 1.122 27 N HN 0.294 nan 8.380 nan 0.000 0.507 28 P HA -0.186 nan 4.420 nan 0.000 0.219 28 P C 1.110 178.407 177.300 -0.006 0.000 1.146 28 P CA 0.892 63.986 63.100 -0.011 0.000 0.808 28 P CB 0.352 32.043 31.700 -0.015 0.000 0.779 29 R N 0.865 121.364 120.500 -0.002 0.000 2.075 29 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 29 R C 2.122 178.427 176.300 0.008 0.000 1.126 29 R CA 1.455 57.557 56.100 0.004 0.000 0.963 29 R CB -1.646 28.656 30.300 0.004 0.000 0.858 29 R HN -0.003 nan 8.270 nan 0.000 0.435 30 V N 1.243 121.161 119.914 0.006 0.000 2.358 30 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 30 V C 2.115 178.217 176.094 0.013 0.000 1.047 30 V CA 2.059 64.365 62.300 0.009 0.000 1.035 30 V CB -0.420 31.407 31.823 0.006 0.000 0.658 30 V HN 0.343 nan 8.190 nan 0.000 0.452 31 K N -0.025 120.380 120.400 0.008 0.000 2.032 31 K HA -0.278 4.042 4.320 -0.000 0.000 0.209 31 K C 2.280 178.901 176.600 0.035 0.000 1.048 31 K CA 1.918 58.212 56.287 0.011 0.000 0.927 31 K CB -0.269 32.225 32.500 -0.011 0.000 0.712 31 K HN 0.524 nan 8.250 nan 0.000 0.441 32 Q N 1.205 121.019 119.800 0.024 0.000 2.061 32 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 32 Q C 2.051 178.091 176.000 0.067 0.000 0.984 32 Q CA 1.659 57.487 55.803 0.041 0.000 0.846 32 Q CB -0.088 28.663 28.738 0.020 0.000 0.902 32 Q HN 0.329 nan 8.270 nan 0.000 0.421 33 I N 0.424 121.021 120.570 0.044 0.000 2.252 33 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 33 I C 2.189 178.326 176.117 0.033 0.000 1.102 33 I CA 0.467 61.789 61.300 0.038 0.000 1.385 33 I CB -0.250 37.767 38.000 0.027 0.000 1.064 33 I HN 0.314 nan 8.210 nan 0.000 0.414 34 I N 0.392 120.981 120.570 0.031 0.000 2.226 34 I HA -0.338 3.832 4.170 -0.000 0.000 0.245 34 I C 2.610 178.729 176.117 0.004 0.000 1.100 34 I CA 1.798 63.107 61.300 0.015 0.000 1.374 34 I CB -1.585 36.422 38.000 0.013 0.000 1.057 34 I HN 0.408 nan 8.210 nan 0.000 0.413 35 H N 1.093 120.133 119.070 -0.051 0.000 2.352 35 H HA -0.222 4.334 4.556 -0.000 0.000 0.299 35 H C 2.382 177.679 175.328 -0.051 0.000 1.097 35 H CA 2.163 58.168 56.048 -0.071 0.000 1.311 35 H CB 0.216 29.942 29.762 -0.060 0.000 1.377 35 H HN 0.077 nan 8.280 nan 0.000 0.504 36 R N 0.888 121.375 120.500 -0.021 0.000 2.066 36 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 36 R C 2.539 178.799 176.300 -0.067 0.000 1.131 36 R CA 1.736 57.811 56.100 -0.042 0.000 0.955 36 R CB -1.016 29.302 30.300 0.031 0.000 0.851 36 R HN 0.187 nan 8.270 nan 0.000 0.432 37 V N 1.154 121.046 119.914 -0.037 0.000 2.287 37 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 37 V C 2.457 178.524 176.094 -0.045 0.000 1.053 37 V CA 2.045 64.332 62.300 -0.021 0.000 1.027 37 V CB -0.542 31.281 31.823 0.001 0.000 0.646 37 V HN 0.289 nan 8.190 nan 0.000 0.447 38 L N -0.290 120.869 121.223 -0.106 0.000 2.012 38 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 38 L C 2.683 179.414 176.870 -0.231 0.000 1.073 38 L CA 1.817 56.554 54.840 -0.170 0.000 0.748 38 L CB -0.760 41.102 42.059 -0.328 0.000 0.891 38 L HN 0.318 nan 8.230 nan 0.000 0.431 39 S N -0.123 115.412 115.700 -0.275 0.000 2.359 39 S HA -0.219 4.251 4.470 -0.000 0.000 0.223 39 S C 1.558 176.155 174.600 -0.004 0.000 1.039 39 S CA 1.719 59.864 58.200 -0.091 0.000 1.042 39 S CB -0.379 62.746 63.200 -0.125 0.000 0.915 39 S HN 0.459 nan 8.310 nan 0.000 0.439 40 D N 1.307 121.678 120.400 -0.049 0.000 2.117 40 D HA -0.036 4.604 4.640 -0.000 0.000 0.197 40 D C 1.926 178.191 176.300 -0.057 0.000 0.987 40 D CA 0.762 54.720 54.000 -0.069 0.000 0.829 40 D CB -0.394 40.385 40.800 -0.035 0.000 0.961 40 D HN 0.316 nan 8.370 nan 0.000 0.460 41 L N -0.326 120.912 121.223 0.025 0.000 2.056 41 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 41 L C 2.461 179.414 176.870 0.139 0.000 1.078 41 L CA 0.837 55.727 54.840 0.084 0.000 0.749 41 L CB -0.424 41.720 42.059 0.142 0.000 0.901 41 L HN 0.017 nan 8.230 nan 0.000 0.433 42 Y N 0.484 120.757 120.300 -0.046 0.000 2.165 42 Y HA -0.292 4.258 4.550 0.000 0.000 0.286 42 Y C 2.696 178.470 175.900 -0.209 0.000 1.155 42 Y CA 1.363 59.458 58.100 -0.009 0.000 1.164 42 Y CB -0.519 38.078 38.460 0.228 0.000 0.978 42 Y HN 0.123 nan 8.280 nan 0.000 0.513 43 K N -0.059 120.094 120.400 -0.413 0.000 2.057 43 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 43 K C 2.285 178.680 176.600 -0.341 0.000 1.050 43 K CA 1.092 56.885 56.287 -0.823 0.000 0.935 43 K CB -0.245 31.539 32.500 -1.194 0.000 0.715 43 K HN 0.202 nan 8.250 nan 0.000 0.439 44 A N 1.437 124.136 122.820 -0.202 0.000 1.933 44 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 44 A C 2.063 179.597 177.584 -0.084 0.000 1.175 44 A CA 1.428 53.396 52.037 -0.114 0.000 0.628 44 A CB -0.579 18.382 19.000 -0.065 0.000 0.814 44 A HN 0.362 nan 8.150 nan 0.000 0.444 45 I N -0.751 119.775 120.570 -0.074 0.000 2.226 45 I HA -0.271 3.900 4.170 -0.000 0.000 0.245 45 I C 2.596 178.673 176.117 -0.067 0.000 1.100 45 I CA 1.944 63.204 61.300 -0.066 0.000 1.374 45 I CB -0.263 37.675 38.000 -0.103 0.000 1.057 45 I HN 0.577 nan 8.210 nan 0.000 0.413 46 E N 0.951 121.105 120.200 -0.078 0.000 2.046 46 E HA -0.221 4.129 4.350 -0.000 0.000 0.190 46 E C 1.674 178.245 176.600 -0.049 0.000 0.982 46 E CA 1.277 57.648 56.400 -0.049 0.000 0.800 46 E CB 0.129 29.817 29.700 -0.020 0.000 0.756 46 E HN 0.348 nan 8.360 nan 0.000 0.449 47 D N 0.594 120.948 120.400 -0.077 0.000 2.117 47 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 47 D C 1.703 177.978 176.300 -0.042 0.000 0.987 47 D CA 0.992 54.956 54.000 -0.059 0.000 0.829 47 D CB -0.027 40.726 40.800 -0.079 0.000 0.961 47 D HN 0.269 nan 8.370 nan 0.000 0.460 48 L N 0.197 121.394 121.223 -0.043 0.000 2.611 48 L HA 0.120 4.460 4.340 -0.000 0.000 0.229 48 L C 0.334 177.191 176.870 -0.023 0.000 1.137 48 L CA -0.137 54.684 54.840 -0.031 0.000 0.901 48 L CB -0.573 41.468 42.059 -0.031 0.000 1.098 48 L HN 0.093 nan 8.230 nan 0.000 0.456 49 N N 1.692 120.377 118.700 -0.024 0.000 2.686 49 N HA -0.213 4.527 4.740 -0.000 0.000 0.261 49 N C -0.059 175.443 175.510 -0.014 0.000 1.001 49 N CA -0.259 52.780 53.050 -0.018 0.000 0.764 49 N CB -0.459 38.022 38.487 -0.010 0.000 0.898 49 N HN 0.330 nan 8.380 nan 0.000 0.544 50 I N 1.388 121.947 120.570 -0.019 0.000 2.556 50 I HA 0.016 4.186 4.170 -0.000 0.000 0.284 50 I C 1.488 177.604 176.117 -0.003 0.000 1.114 50 I CA -0.035 61.261 61.300 -0.006 0.000 1.418 50 I CB 0.829 38.828 38.000 -0.001 0.000 1.394 50 I HN 0.225 nan 8.210 nan 0.000 0.552 51 T N 1.206 115.773 114.554 0.021 0.000 2.902 51 T HA 0.206 4.556 4.350 -0.000 0.000 0.280 51 T C 1.082 175.825 174.700 0.072 0.000 0.992 51 T CA -0.780 61.342 62.100 0.037 0.000 1.015 51 T CB 1.579 70.477 68.868 0.049 0.000 1.044 51 T HN 0.534 nan 8.240 nan 0.000 0.520 52 S N 0.813 116.576 115.700 0.107 0.000 2.368 52 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 52 S C 1.565 176.368 174.600 0.338 0.000 1.030 52 S CA 1.518 59.851 58.200 0.221 0.000 0.999 52 S CB -0.641 62.753 63.200 0.324 0.000 0.844 52 S HN 0.827 nan 8.310 nan 0.000 0.459 53 D N 1.228 121.774 120.400 0.244 0.000 2.123 53 D HA -0.103 4.537 4.640 -0.000 0.000 0.196 53 D C 2.064 178.465 176.300 0.169 0.000 0.992 53 D CA 1.175 55.306 54.000 0.218 0.000 0.833 53 D CB -0.216 40.663 40.800 0.131 0.000 0.954 53 D HN 0.515 nan 8.370 nan 0.000 0.455 54 E N -0.835 119.430 120.200 0.108 0.000 2.072 54 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 54 E C 1.903 178.516 176.600 0.022 0.000 0.985 54 E CA 0.490 56.924 56.400 0.057 0.000 0.801 54 E CB -0.198 29.522 29.700 0.034 0.000 0.750 54 E HN 0.353 nan 8.360 nan 0.000 0.452 55 Y N 0.404 120.628 120.300 -0.127 0.000 2.081 55 Y HA -0.284 4.266 4.550 -0.000 0.000 0.280 55 Y C 1.667 177.360 175.900 -0.344 0.000 1.163 55 Y CA 1.854 59.772 58.100 -0.304 0.000 1.135 55 Y CB -0.593 37.559 38.460 -0.514 0.000 0.970 55 Y HN 0.081 nan 8.280 nan 0.000 0.498 56 W N -0.221 121.083 121.300 0.006 0.000 2.421 56 W HA -0.094 4.566 4.660 0.000 0.000 0.270 56 W C 2.538 179.008 176.519 -0.082 0.000 1.233 56 W CA 1.140 58.445 57.345 -0.066 0.000 1.226 56 W CB -0.470 29.027 29.460 0.062 0.000 1.121 56 W HN 0.191 nan 8.180 nan 0.000 0.579 57 A N 0.255 123.129 122.820 0.090 0.000 1.930 57 A HA 0.061 4.381 4.320 -0.000 0.000 0.215 57 A C 2.255 179.849 177.584 0.017 0.000 1.176 57 A CA 1.569 53.649 52.037 0.072 0.000 0.632 57 A CB -1.295 17.738 19.000 0.055 0.000 0.819 57 A HN 0.284 nan 8.150 nan 0.000 0.445 58 G N -0.461 108.275 108.800 -0.107 0.000 2.402 58 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.216 58 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.216 58 G C 1.463 176.296 174.900 -0.112 0.000 1.162 58 G CA 1.215 46.239 45.100 -0.128 0.000 0.777 58 G HN 0.287 nan 8.290 nan 0.000 0.539 59 V N 1.425 121.182 119.914 -0.262 0.000 2.427 59 V HA -0.086 4.034 4.120 -0.000 0.000 0.248 59 V C 3.277 179.385 176.094 0.023 0.000 1.051 59 V CA 1.873 64.079 62.300 -0.156 0.000 1.048 59 V CB -0.630 31.095 31.823 -0.164 0.000 0.666 59 V HN 0.464 nan 8.190 nan 0.000 0.456 60 A N -0.920 121.945 122.820 0.076 0.000 1.930 60 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 60 A C 2.152 179.785 177.584 0.081 0.000 1.175 60 A CA 1.898 53.989 52.037 0.091 0.000 0.627 60 A CB -0.736 18.329 19.000 0.108 0.000 0.815 60 A HN 0.626 nan 8.150 nan 0.000 0.443 61 Y N 0.548 120.841 120.300 -0.011 0.000 2.224 61 Y HA -0.141 4.409 4.550 -0.000 0.000 0.289 61 Y C 1.925 177.820 175.900 -0.009 0.000 1.146 61 Y CA 1.695 59.790 58.100 -0.008 0.000 1.182 61 Y CB -0.231 38.219 38.460 -0.016 0.000 0.983 61 Y HN 0.219 nan 8.280 nan 0.000 0.524 62 L N -0.054 121.186 121.223 0.027 0.000 2.083 62 L HA -0.262 4.078 4.340 -0.000 0.000 0.209 62 L C 2.223 179.035 176.870 -0.095 0.000 1.083 62 L CA 1.294 56.107 54.840 -0.045 0.000 0.752 62 L CB -0.658 41.406 42.059 0.008 0.000 0.899 62 L HN 0.279 nan 8.230 nan 0.000 0.433 63 N N 0.413 119.079 118.700 -0.057 0.000 2.084 63 N HA -0.224 4.516 4.740 -0.000 0.000 0.190 63 N C 1.882 177.338 175.510 -0.090 0.000 1.030 63 N CA 1.695 54.717 53.050 -0.047 0.000 0.849 63 N CB -0.285 38.197 38.487 -0.009 0.000 1.012 63 N HN 0.556 nan 8.380 nan 0.000 0.423 64 Q N 0.145 119.867 119.800 -0.131 0.000 2.291 64 Q HA -0.055 4.285 4.340 -0.000 0.000 0.205 64 Q C 1.995 177.862 176.000 -0.221 0.000 0.970 64 Q CA 0.782 56.494 55.803 -0.151 0.000 0.876 64 Q CB -0.332 28.325 28.738 -0.134 0.000 0.935 64 Q HN 0.201 nan 8.270 nan 0.000 0.455 65 L N 1.426 122.440 121.223 -0.347 0.000 2.017 65 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 65 L C 2.238 179.017 176.870 -0.151 0.000 1.073 65 L CA 2.441 57.083 54.840 -0.330 0.000 0.745 65 L CB -0.929 40.898 42.059 -0.387 0.000 0.894 65 L HN 0.301 nan 8.230 nan 0.000 0.432 66 G N -1.432 107.300 108.800 -0.114 0.000 2.408 66 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.215 66 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.215 66 G C 1.603 176.474 174.900 -0.049 0.000 1.156 66 G CA 0.596 45.659 45.100 -0.062 0.000 0.793 66 G HN 0.618 nan 8.290 nan 0.000 0.535 67 A N 1.283 124.069 122.820 -0.057 0.000 1.940 67 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 67 A C 2.053 179.614 177.584 -0.037 0.000 1.176 67 A CA 1.540 53.552 52.037 -0.041 0.000 0.631 67 A CB -0.358 18.616 19.000 -0.043 0.000 0.814 67 A HN 0.369 nan 8.150 nan 0.000 0.446 68 N N -0.169 118.502 118.700 -0.049 0.000 2.383 68 N HA -0.016 4.724 4.740 -0.000 0.000 0.192 68 N C -0.468 175.032 175.510 -0.017 0.000 1.141 68 N CA 0.359 53.388 53.050 -0.034 0.000 0.851 68 N CB 0.159 38.620 38.487 -0.043 0.000 0.976 68 N HN 0.337 nan 8.380 nan 0.000 0.465 69 Q N 0.083 119.872 119.800 -0.018 0.000 2.453 69 Q HA -0.197 4.143 4.340 -0.000 0.000 0.294 69 Q C -0.263 175.742 176.000 0.008 0.000 1.295 69 Q CA 0.754 56.557 55.803 0.000 0.000 0.853 69 Q CB -2.024 26.726 28.738 0.020 0.000 1.193 69 Q HN 0.578 nan 8.270 nan 0.000 0.461 70 E N -1.402 118.794 120.200 -0.007 0.000 2.501 70 E HA 0.253 4.603 4.350 -0.000 0.000 0.200 70 E C 1.444 178.059 176.600 0.025 0.000 1.016 70 E CA 0.454 56.862 56.400 0.013 0.000 0.921 70 E CB 0.339 30.045 29.700 0.011 0.000 1.034 70 E HN 0.448 nan 8.360 nan 0.000 0.468 71 A N 0.615 123.439 122.820 0.007 0.000 1.933 71 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 71 A C 2.215 179.817 177.584 0.029 0.000 1.175 71 A CA 1.581 53.624 52.037 0.010 0.000 0.628 71 A CB -0.690 18.302 19.000 -0.013 0.000 0.814 71 A HN 0.348 nan 8.150 nan 0.000 0.444 72 G N -1.212 107.605 108.800 0.028 0.000 2.679 72 G HA2 0.109 4.069 3.960 -0.000 0.000 0.212 72 G HA3 0.109 4.069 3.960 -0.000 0.000 0.212 72 G C 1.264 176.206 174.900 0.071 0.000 1.137 72 G CA 1.009 46.132 45.100 0.037 0.000 0.787 72 G HN 0.446 nan 8.290 nan 0.000 0.534 73 L N -0.487 120.795 121.223 0.100 0.000 2.316 73 L HA 0.442 4.782 4.340 -0.000 0.000 0.207 73 L C 2.270 179.296 176.870 0.261 0.000 1.070 73 L CA 0.612 55.564 54.840 0.186 0.000 0.820 73 L CB -0.163 41.994 42.059 0.164 0.000 0.992 73 L HN 0.105 nan 8.230 nan 0.000 0.466 74 L N -1.300 120.045 121.223 0.203 0.000 2.072 74 L HA -0.150 4.190 4.340 -0.000 0.000 0.205 74 L C 2.535 179.527 176.870 0.203 0.000 1.079 74 L CA 1.593 56.572 54.840 0.232 0.000 0.752 74 L CB -0.278 41.905 42.059 0.206 0.000 0.906 74 L HN 0.473 nan 8.230 nan 0.000 0.436 75 S N 0.408 116.198 115.700 0.151 0.000 2.389 75 S HA -0.153 4.317 4.470 -0.000 0.000 0.229 75 S C -0.223 174.520 174.600 0.238 0.000 1.048 75 S CA 2.274 60.578 58.200 0.175 0.000 1.117 75 S CB -1.224 62.017 63.200 0.068 0.000 1.020 75 S HN 0.358 nan 8.310 nan 0.000 0.430 76 P HA 0.015 nan 4.420 nan 0.000 0.218 76 P C 1.597 178.786 177.300 -0.186 0.000 1.149 76 P CA 1.628 64.729 63.100 0.003 0.000 0.817 76 P CB -0.738 30.931 31.700 -0.051 0.000 0.785 77 G N 0.275 108.913 108.800 -0.270 0.000 2.471 77 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.219 77 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.219 77 G C 1.456 176.385 174.900 0.050 0.000 1.125 77 G CA 0.154 45.030 45.100 -0.374 0.000 0.775 77 G HN 0.256 nan 8.290 nan 0.000 0.548 78 L N 0.358 121.671 121.223 0.151 0.000 2.685 78 L HA 0.290 4.630 4.340 -0.000 0.000 0.233 78 L C 1.922 178.768 176.870 -0.039 0.000 1.173 78 L CA 0.305 55.229 54.840 0.140 0.000 0.961 78 L CB 0.084 42.319 42.059 0.294 0.000 1.217 78 L HN 0.329 nan 8.230 nan 0.000 0.478 79 G N -0.294 108.534 108.800 0.046 0.000 2.184 79 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.264 79 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.264 79 G C 0.654 175.537 174.900 -0.029 0.000 0.975 79 G CA 0.499 45.569 45.100 -0.052 0.000 0.642 79 G HN 0.308 nan 8.290 nan 0.000 0.536 80 F N 1.340 121.340 119.950 0.083 0.000 2.102 80 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 80 F C 2.535 178.428 175.800 0.155 0.000 1.105 80 F CA 1.968 60.049 58.000 0.135 0.000 1.239 80 F CB -0.383 38.677 39.000 0.100 0.000 0.991 80 F HN 0.173 nan 8.300 nan 0.000 0.474 81 D N -1.347 119.237 120.400 0.307 0.000 2.116 81 D HA -0.247 4.393 4.640 -0.000 0.000 0.193 81 D C 1.997 178.414 176.300 0.195 0.000 0.998 81 D CA 1.899 56.027 54.000 0.213 0.000 0.836 81 D CB -0.627 40.273 40.800 0.167 0.000 0.951 81 D HN 0.314 nan 8.370 nan 0.000 0.449 82 H N -1.046 118.091 119.070 0.112 0.000 2.357 82 H HA -0.158 4.398 4.556 -0.000 0.000 0.301 82 H C 1.888 177.274 175.328 0.096 0.000 1.082 82 H CA 1.336 57.436 56.048 0.087 0.000 1.342 82 H CB -0.457 29.351 29.762 0.076 0.000 1.389 82 H HN 0.182 nan 8.280 nan 0.000 0.511 83 Y N 0.738 120.966 120.300 -0.121 0.000 2.207 83 Y HA -0.187 4.363 4.550 0.000 0.000 0.287 83 Y C 2.069 177.895 175.900 -0.123 0.000 1.156 83 Y CA 1.702 59.696 58.100 -0.178 0.000 1.182 83 Y CB -0.520 37.858 38.460 -0.137 0.000 0.979 83 Y HN 0.271 nan 8.280 nan 0.000 0.521 84 L N -0.485 120.672 121.223 -0.109 0.000 2.141 84 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 84 L C 1.960 178.737 176.870 -0.156 0.000 1.094 84 L CA 1.311 56.052 54.840 -0.165 0.000 0.763 84 L CB -0.525 41.534 42.059 0.000 0.000 0.908 84 L HN 0.102 nan 8.230 nan 0.000 0.437 85 D N -0.100 120.228 120.400 -0.121 0.000 2.144 85 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 85 D C 2.358 178.558 176.300 -0.168 0.000 0.978 85 D CA 1.179 55.120 54.000 -0.098 0.000 0.833 85 D CB -0.015 40.764 40.800 -0.036 0.000 0.961 85 D HN 0.247 nan 8.370 nan 0.000 0.470 86 M N -0.101 119.324 119.600 -0.292 0.000 2.117 86 M HA -0.107 4.373 4.480 -0.000 0.000 0.262 86 M C 2.213 178.388 176.300 -0.207 0.000 1.065 86 M CA 1.252 56.400 55.300 -0.254 0.000 1.114 86 M CB -0.156 32.274 32.600 -0.283 0.000 1.361 86 M HN -0.089 nan 8.290 nan 0.000 0.408 87 R N -0.035 120.292 120.500 -0.289 0.000 2.096 87 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 87 R C 2.178 178.393 176.300 -0.141 0.000 1.127 87 R CA 1.407 57.360 56.100 -0.244 0.000 0.968 87 R CB -0.269 29.830 30.300 -0.334 0.000 0.861 87 R HN 0.401 nan 8.270 nan 0.000 0.440 88 M N 0.333 119.862 119.600 -0.119 0.000 2.132 88 M HA -0.169 4.311 4.480 -0.000 0.000 0.263 88 M C 1.380 177.651 176.300 -0.048 0.000 1.065 88 M CA 1.433 56.694 55.300 -0.066 0.000 1.122 88 M CB -0.190 32.385 32.600 -0.041 0.000 1.365 88 M HN 0.064 nan 8.290 nan 0.000 0.411 89 D N 0.676 121.044 120.400 -0.053 0.000 2.097 89 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 89 D C 1.991 178.271 176.300 -0.032 0.000 0.989 89 D CA 1.731 55.712 54.000 -0.031 0.000 0.827 89 D CB -0.282 40.500 40.800 -0.029 0.000 0.966 89 D HN 0.334 nan 8.370 nan 0.000 0.456 90 A N 1.055 123.845 122.820 -0.049 0.000 1.908 90 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 90 A C 2.136 179.699 177.584 -0.034 0.000 1.181 90 A CA 2.051 54.064 52.037 -0.041 0.000 0.627 90 A CB -0.677 18.290 19.000 -0.055 0.000 0.818 90 A HN 0.327 nan 8.150 nan 0.000 0.445 91 E N -0.482 119.694 120.200 -0.040 0.000 2.106 91 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 91 E C 1.278 177.866 176.600 -0.021 0.000 0.984 91 E CA 1.327 57.709 56.400 -0.031 0.000 0.806 91 E CB -0.149 29.530 29.700 -0.035 0.000 0.750 91 E HN 0.518 nan 8.360 nan 0.000 0.458 92 D N 0.253 120.642 120.400 -0.018 0.000 2.144 92 D HA -0.112 4.528 4.640 -0.000 0.000 0.199 92 D C 1.786 178.082 176.300 -0.008 0.000 0.984 92 D CA 1.334 55.328 54.000 -0.009 0.000 0.834 92 D CB -0.296 40.502 40.800 -0.003 0.000 0.955 92 D HN 0.318 nan 8.370 nan 0.000 0.465 93 A N 0.952 123.766 122.820 -0.010 0.000 1.877 93 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 93 A C 2.292 179.872 177.584 -0.008 0.000 1.186 93 A CA 2.187 54.219 52.037 -0.007 0.000 0.620 93 A CB -0.872 18.124 19.000 -0.008 0.000 0.822 93 A HN 0.226 nan 8.150 nan 0.000 0.443 94 A N -0.686 122.127 122.820 -0.011 0.000 2.076 94 A HA 0.023 4.343 4.320 -0.000 0.000 0.220 94 A C 1.876 179.454 177.584 -0.009 0.000 1.160 94 A CA 1.394 53.425 52.037 -0.010 0.000 0.653 94 A CB -0.487 18.506 19.000 -0.013 0.000 0.801 94 A HN 0.482 nan 8.150 nan 0.000 0.455 95 L N -1.539 119.679 121.223 -0.009 0.000 2.607 95 L HA 0.237 4.577 4.340 -0.000 0.000 0.228 95 L C 1.596 178.463 176.870 -0.006 0.000 1.123 95 L CA 0.423 55.259 54.840 -0.008 0.000 0.890 95 L CB -0.103 41.951 42.059 -0.009 0.000 1.103 95 L HN 0.535 nan 8.230 nan 0.000 0.468 96 G N 1.173 109.970 108.800 -0.005 0.000 2.153 96 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.252 96 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.252 96 G C 0.246 175.145 174.900 -0.002 0.000 0.994 96 G CA -0.112 44.986 45.100 -0.003 0.000 0.698 96 G HN 0.329 nan 8.290 nan 0.000 0.521 97 I N 0.973 121.542 120.570 -0.001 0.000 2.337 97 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 97 I C 0.536 176.657 176.117 0.006 0.000 1.046 97 I CA -0.526 60.776 61.300 0.003 0.000 1.324 97 I CB 1.184 39.186 38.000 0.004 0.000 1.409 97 I HN 0.141 nan 8.210 nan 0.000 0.494 98 E N 7.419 127.624 120.200 0.008 0.000 2.052 98 E HA 0.103 4.453 4.350 -0.000 0.000 0.283 98 E C -0.605 176.004 176.600 0.015 0.000 1.071 98 E CA -0.299 56.106 56.400 0.009 0.000 0.851 98 E CB 0.247 29.950 29.700 0.004 0.000 1.066 98 E HN 0.333 nan 8.360 nan 0.000 0.396 99 N N 4.618 123.329 118.700 0.019 0.000 2.402 99 N HA 0.064 4.804 4.740 -0.000 0.000 0.259 99 N C 0.402 175.926 175.510 0.024 0.000 1.167 99 N CA 0.378 53.444 53.050 0.027 0.000 0.949 99 N CB 1.467 39.973 38.487 0.032 0.000 1.212 99 N HN 0.617 nan 8.380 nan 0.000 0.493 100 A N 2.653 125.484 122.820 0.018 0.000 1.851 100 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 100 A C 1.012 178.600 177.584 0.007 0.000 1.195 100 A CA 1.235 53.273 52.037 0.002 0.000 0.622 100 A CB -0.346 18.646 19.000 -0.014 0.000 0.831 100 A HN 0.486 nan 8.150 nan 0.000 0.444 101 T N 2.867 117.431 114.554 0.015 0.000 2.738 101 T HA 0.449 4.799 4.350 -0.000 0.000 0.298 101 T C -2.564 172.175 174.700 0.065 0.000 0.962 101 T CA -1.028 61.090 62.100 0.030 0.000 0.972 101 T CB 1.194 70.062 68.868 -0.001 0.000 0.928 101 T HN 0.307 nan 8.240 nan 0.000 0.474 102 P HA 0.106 nan 4.420 nan 0.000 0.268 102 P C -0.048 177.309 177.300 0.095 0.000 1.205 102 P CA -0.476 62.672 63.100 0.080 0.000 0.771 102 P CB 0.901 32.650 31.700 0.081 0.000 0.858 103 R N 0.964 121.517 120.500 0.088 0.000 2.583 103 R HA 0.765 5.105 4.340 -0.000 0.000 0.268 103 R C 0.052 176.416 176.300 0.107 0.000 1.101 103 R CA -0.601 55.561 56.100 0.104 0.000 1.180 103 R CB 0.472 30.827 30.300 0.092 0.000 1.128 103 R HN 0.454 nan 8.270 nan 0.000 0.568 104 T N -0.163 114.464 114.554 0.122 0.000 2.693 104 T HA 0.315 4.665 4.350 -0.000 0.000 0.304 104 T C -0.783 174.002 174.700 0.142 0.000 1.471 104 T CA -0.897 61.277 62.100 0.124 0.000 0.993 104 T CB 0.744 69.661 68.868 0.081 0.000 1.554 104 T HN 0.681 nan 8.240 nan 0.000 0.496 105 I N 1.033 121.687 120.570 0.141 0.000 2.752 105 I HA 0.333 4.503 4.170 -0.000 0.000 0.287 105 I C 1.366 177.605 176.117 0.203 0.000 1.188 105 I CA 0.008 61.403 61.300 0.159 0.000 1.427 105 I CB 0.701 38.785 38.000 0.138 0.000 1.365 105 I HN 0.928 nan 8.210 nan 0.000 0.585 106 E N 4.882 125.217 120.200 0.225 0.000 2.072 106 E HA 0.175 4.525 4.350 -0.000 0.000 0.190 106 E C 0.962 177.699 176.600 0.228 0.000 0.982 106 E CA 0.834 57.392 56.400 0.263 0.000 0.803 106 E CB -0.053 29.808 29.700 0.269 0.000 0.755 106 E HN 1.135 nan 8.360 nan 0.000 0.453 107 G N 0.731 109.636 108.800 0.175 0.000 2.730 107 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 107 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 107 G C -2.069 172.855 174.900 0.041 0.000 1.343 107 G CA -0.186 44.989 45.100 0.124 0.000 0.826 107 G HN 0.199 nan 8.290 nan 0.000 0.582 108 P HA 0.163 nan 4.420 nan 0.000 0.255 108 P C 1.180 178.300 177.300 -0.300 0.000 1.248 108 P CA 0.362 63.399 63.100 -0.106 0.000 0.807 108 P CB 0.092 31.738 31.700 -0.090 0.000 1.150 109 L N -0.983 119.993 121.223 -0.412 0.000 2.791 109 L HA 0.262 4.602 4.340 -0.000 0.000 0.239 109 L C 0.680 177.290 176.870 -0.433 0.000 1.203 109 L CA -0.811 53.593 54.840 -0.727 0.000 1.002 109 L CB -0.633 40.752 42.059 -1.123 0.000 1.295 109 L HN -0.068 nan 8.230 nan 0.000 0.504 110 Y N 0.966 120.945 120.300 -0.536 0.000 2.336 110 Y HA 0.406 4.956 4.550 0.000 0.000 0.331 110 Y C -0.316 175.278 175.900 -0.509 0.000 1.211 110 Y CA -0.372 57.134 58.100 -0.989 0.000 1.346 110 Y CB 0.959 38.827 38.460 -0.986 0.000 1.271 110 Y HN -0.228 nan 8.280 nan 0.000 0.538 111 V N 5.796 124.842 119.914 -1.447 0.000 2.577 111 V HA 0.672 4.792 4.120 -0.000 0.000 0.303 111 V C -0.364 175.058 176.094 -1.121 0.000 1.042 111 V CA -0.851 60.854 62.300 -0.991 0.000 0.872 111 V CB 1.214 32.519 31.823 -0.863 0.000 0.998 111 V HN 1.033 nan 8.190 nan 0.000 0.423 112 A N 2.970 125.426 122.820 -0.607 0.000 2.316 112 A HA 0.760 5.080 4.320 -0.000 0.000 0.284 112 A C 1.162 178.747 177.584 0.002 0.000 1.115 112 A CA 0.428 52.326 52.037 -0.232 0.000 0.812 112 A CB 0.683 19.688 19.000 0.007 0.000 1.064 112 A HN 2.214 nan 8.150 nan 0.000 0.489 113 G N -0.537 108.239 108.800 -0.039 0.000 2.154 113 G HA2 0.249 4.209 3.960 -0.000 0.000 0.186 113 G HA3 0.249 4.209 3.960 -0.000 0.000 0.186 113 G C 0.493 174.925 174.900 -0.781 0.000 1.000 113 G CA 0.155 45.133 45.100 -0.204 0.000 0.664 113 G HN 2.025 nan 8.290 nan 0.000 0.513 114 A N 0.459 122.948 122.820 -0.550 0.000 2.466 114 A HA 0.640 4.960 4.320 -0.000 0.000 0.238 114 A C -1.181 176.140 177.584 -0.439 0.000 1.074 114 A CA -0.342 51.311 52.037 -0.640 0.000 0.774 114 A CB -0.088 18.888 19.000 -0.041 0.000 1.015 114 A HN 0.203 nan 8.150 nan 0.000 0.498 115 P HA 0.138 nan 4.420 nan 0.000 0.267 115 P C -0.362 176.878 177.300 -0.099 0.000 1.200 115 P CA 0.221 63.204 63.100 -0.195 0.000 0.772 115 P CB 0.496 32.126 31.700 -0.118 0.000 0.855 116 E N 1.159 121.318 120.200 -0.068 0.000 2.238 116 E HA 0.565 4.915 4.350 -0.000 0.000 0.267 116 E C -1.096 175.501 176.600 -0.004 0.000 0.887 116 E CA -0.635 55.751 56.400 -0.025 0.000 0.769 116 E CB 1.164 30.850 29.700 -0.022 0.000 1.187 116 E HN 0.515 nan 8.360 nan 0.000 0.416 117 S N 1.097 116.807 115.700 0.017 0.000 2.596 117 S HA 0.492 4.962 4.470 -0.000 0.000 0.270 117 S C -1.051 173.581 174.600 0.054 0.000 1.155 117 S CA -0.892 57.329 58.200 0.034 0.000 0.827 117 S CB 1.328 64.552 63.200 0.040 0.000 1.130 117 S HN 0.234 nan 8.310 nan 0.000 0.467 118 V N 1.978 121.931 119.914 0.065 0.000 2.539 118 V HA 0.640 4.760 4.120 -0.000 0.000 0.292 118 V C 1.799 177.957 176.094 0.107 0.000 1.045 118 V CA 0.657 63.001 62.300 0.074 0.000 0.945 118 V CB 0.324 32.181 31.823 0.058 0.000 0.993 118 V HN 1.747 nan 8.190 nan 0.000 0.464 119 G N 3.449 112.318 108.800 0.116 0.000 3.111 119 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.230 119 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.230 119 G C 0.050 175.078 174.900 0.214 0.000 1.225 119 G CA 1.720 46.907 45.100 0.146 0.000 0.907 119 G HN 0.985 nan 8.290 nan 0.000 0.542 120 Y N 0.791 121.130 120.300 0.066 0.000 2.605 120 Y HA 0.678 5.228 4.550 0.000 0.000 0.343 120 Y C -0.279 175.662 175.900 0.069 0.000 1.036 120 Y CA -0.178 57.961 58.100 0.066 0.000 1.065 120 Y CB 1.971 40.449 38.460 0.030 0.000 1.288 120 Y HN 1.156 nan 8.280 nan 0.000 0.481 121 A N 4.081 126.314 122.820 -0.979 0.000 2.573 121 A HA 0.556 4.876 4.320 -0.000 0.000 0.299 121 A C -1.927 175.191 177.584 -0.776 0.000 1.060 121 A CA -0.843 50.820 52.037 -0.624 0.000 0.736 121 A CB 1.268 20.143 19.000 -0.208 0.000 1.280 121 A HN 0.828 nan 8.150 nan 0.000 0.401 122 R N 2.919 123.188 120.500 -0.384 0.000 2.255 122 R HA 0.615 4.955 4.340 -0.000 0.000 0.326 122 R C 0.419 176.675 176.300 -0.073 0.000 0.986 122 R CA -0.628 55.369 56.100 -0.172 0.000 0.847 122 R CB 0.654 30.960 30.300 0.009 0.000 1.111 122 R HN 0.841 nan 8.270 nan 0.000 0.452 123 M N 1.821 121.401 119.600 -0.033 0.000 2.435 123 M HA 0.013 4.493 4.480 -0.000 0.000 0.265 123 M C 0.302 176.612 176.300 0.016 0.000 1.104 123 M CA 0.589 55.890 55.300 0.002 0.000 1.140 123 M CB 0.025 32.640 32.600 0.026 0.000 1.372 123 M HN 0.612 nan 8.290 nan 0.000 0.456 124 D N 0.199 120.618 120.400 0.032 0.000 2.385 124 D HA 0.104 4.744 4.640 -0.000 0.000 0.254 124 D C -0.443 175.878 176.300 0.034 0.000 1.053 124 D CA -0.274 53.748 54.000 0.035 0.000 0.992 124 D CB 1.060 41.892 40.800 0.053 0.000 1.145 124 D HN 0.101 nan 8.370 nan 0.000 0.523 125 D N -2.153 118.266 120.400 0.032 0.000 2.469 125 D HA 0.164 4.804 4.640 -0.000 0.000 0.215 125 D C 1.432 177.750 176.300 0.030 0.000 1.154 125 D CA 0.225 54.243 54.000 0.030 0.000 0.832 125 D CB 0.059 40.874 40.800 0.026 0.000 1.008 125 D HN 0.777 nan 8.370 nan 0.000 0.506 126 G N 1.099 109.919 108.800 0.034 0.000 2.179 126 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.260 126 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.260 126 G C 1.129 176.048 174.900 0.031 0.000 0.977 126 G CA 0.785 45.906 45.100 0.034 0.000 0.641 126 G HN 0.706 nan 8.290 nan 0.000 0.533 127 S N -0.580 115.136 115.700 0.028 0.000 2.595 127 S HA 0.152 4.622 4.470 -0.000 0.000 0.235 127 S C 0.534 175.153 174.600 0.031 0.000 0.974 127 S CA 1.001 59.217 58.200 0.026 0.000 0.942 127 S CB 0.304 63.516 63.200 0.020 0.000 0.766 127 S HN 0.475 nan 8.310 nan 0.000 0.536 128 D N 2.015 122.436 120.400 0.036 0.000 2.349 128 D HA 0.386 5.026 4.640 -0.000 0.000 0.232 128 D C -1.815 174.507 176.300 0.038 0.000 1.071 128 D CA -2.248 51.774 54.000 0.038 0.000 0.832 128 D CB 1.948 42.773 40.800 0.041 0.000 1.086 128 D HN -0.015 nan 8.370 nan 0.000 0.504 129 P HA -0.066 nan 4.420 nan 0.000 0.211 129 P C 0.796 178.118 177.300 0.038 0.000 1.179 129 P CA 0.768 63.888 63.100 0.032 0.000 0.910 129 P CB 0.320 32.035 31.700 0.026 0.000 0.785 130 N N -0.234 118.485 118.700 0.031 0.000 2.609 130 N HA -0.021 4.719 4.740 -0.000 0.000 0.190 130 N C 1.026 176.570 175.510 0.057 0.000 1.157 130 N CA 0.614 53.683 53.050 0.033 0.000 0.918 130 N CB -0.634 37.861 38.487 0.012 0.000 0.978 130 N HN 0.144 nan 8.380 nan 0.000 0.448 131 G N 0.451 109.290 108.800 0.064 0.000 2.272 131 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.247 131 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.247 131 G C -0.591 174.393 174.900 0.140 0.000 1.272 131 G CA 0.203 45.355 45.100 0.086 0.000 0.921 131 G HN 0.319 nan 8.290 nan 0.000 0.495 132 H N 1.470 120.561 119.070 0.035 0.000 2.504 132 H HA 0.414 4.970 4.556 -0.000 0.000 0.322 132 H C 0.543 175.916 175.328 0.075 0.000 1.055 132 H CA -0.477 55.601 56.048 0.049 0.000 1.231 132 H CB 0.709 30.489 29.762 0.030 0.000 1.417 132 H HN 0.367 nan 8.280 nan 0.000 0.472 133 T N 6.749 121.159 114.554 -0.240 0.000 2.871 133 T HA 0.063 4.413 4.350 -0.000 0.000 0.296 133 T C -0.140 174.479 174.700 -0.134 0.000 0.998 133 T CA 0.046 62.065 62.100 -0.134 0.000 1.162 133 T CB -0.111 68.737 68.868 -0.034 0.000 0.947 133 T HN 0.364 nan 8.240 nan 0.000 0.536 134 L N 5.374 126.597 121.223 -0.001 0.000 2.376 134 L HA 0.481 4.821 4.340 -0.000 0.000 0.275 134 L C -1.187 175.759 176.870 0.127 0.000 0.987 134 L CA -0.781 54.100 54.840 0.070 0.000 0.828 134 L CB 1.407 43.478 42.059 0.020 0.000 1.249 134 L HN 0.487 nan 8.230 nan 0.000 0.409 135 I N 6.707 127.412 120.570 0.225 0.000 2.307 135 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 135 I C -0.113 176.164 176.117 0.267 0.000 1.054 135 I CA -0.324 61.111 61.300 0.226 0.000 1.218 135 I CB 1.462 39.597 38.000 0.225 0.000 1.398 135 I HN 0.512 nan 8.210 nan 0.000 0.475 136 L N 8.780 130.135 121.223 0.220 0.000 2.296 136 L HA 0.515 4.854 4.340 -0.000 0.000 0.286 136 L C -0.795 176.212 176.870 0.230 0.000 1.023 136 L CA -0.297 54.666 54.840 0.205 0.000 0.812 136 L CB 0.876 43.068 42.059 0.222 0.000 1.223 136 L HN 0.747 nan 8.230 nan 0.000 0.421 137 H N 2.514 121.601 119.070 0.028 0.000 2.990 137 H HA 0.955 5.511 4.556 -0.000 0.000 0.343 137 H C -0.704 174.325 175.328 -0.498 0.000 1.270 137 H CA -0.302 55.538 56.048 -0.347 0.000 1.118 137 H CB 1.893 31.552 29.762 -0.172 0.000 1.861 137 H HN 0.710 nan 8.280 nan 0.000 0.544 138 G N -0.636 107.653 108.800 -0.851 0.000 2.340 138 G HA2 0.469 4.429 3.960 -0.000 0.000 0.299 138 G HA3 0.469 4.429 3.960 -0.000 0.000 0.299 138 G C -1.584 173.162 174.900 -0.257 0.000 1.291 138 G CA -0.560 44.299 45.100 -0.401 0.000 0.841 138 G HN 0.734 nan 8.290 nan 0.000 0.500 139 T N 0.881 115.388 114.554 -0.078 0.000 2.863 139 T HA 0.593 4.943 4.350 -0.000 0.000 0.285 139 T C -0.483 174.023 174.700 -0.323 0.000 1.009 139 T CA -0.405 61.549 62.100 -0.244 0.000 0.989 139 T CB 1.392 69.989 68.868 -0.451 0.000 1.004 139 T HN 0.395 nan 8.240 nan 0.000 0.455 140 I N 3.439 123.806 120.570 -0.337 0.000 2.321 140 I HA 0.431 4.601 4.170 -0.000 0.000 0.291 140 I C -0.708 175.134 176.117 -0.459 0.000 0.998 140 I CA -0.842 60.314 61.300 -0.240 0.000 1.227 140 I CB 0.587 38.547 38.000 -0.065 0.000 1.368 140 I HN 0.569 nan 8.210 nan 0.000 0.466 141 F N 4.005 123.933 119.950 -0.038 0.000 2.443 141 F HA 0.299 4.826 4.527 -0.000 0.000 0.335 141 F C 0.768 176.523 175.800 -0.076 0.000 1.104 141 F CA -0.966 57.010 58.000 -0.040 0.000 1.013 141 F CB 0.993 39.977 39.000 -0.027 0.000 1.136 141 F HN 0.488 nan 8.300 nan 0.000 0.470 142 D N 1.267 121.722 120.400 0.091 0.000 2.380 142 D HA 0.274 4.914 4.640 -0.000 0.000 0.254 142 D C 1.138 177.577 176.300 0.231 0.000 1.288 142 D CA -0.285 53.726 54.000 0.019 0.000 1.008 142 D CB 0.330 41.200 40.800 0.117 0.000 1.099 142 D HN 0.541 nan 8.370 nan 0.000 0.537 143 A N -0.611 122.486 122.820 0.462 0.000 2.186 143 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 143 A C 1.006 178.674 177.584 0.139 0.000 1.159 143 A CA 1.154 53.339 52.037 0.247 0.000 0.680 143 A CB -0.493 18.600 19.000 0.154 0.000 0.787 143 A HN 0.527 nan 8.150 nan 0.000 0.467 144 D N -1.296 119.191 120.400 0.145 0.000 2.463 144 D HA 0.309 4.949 4.640 -0.000 0.000 0.224 144 D C 1.292 177.640 176.300 0.080 0.000 1.174 144 D CA 0.749 54.802 54.000 0.089 0.000 0.829 144 D CB 0.103 40.951 40.800 0.081 0.000 0.993 144 D HN 0.484 nan 8.370 nan 0.000 0.497 145 G N 1.532 110.388 108.800 0.093 0.000 2.189 145 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.267 145 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.267 145 G C 0.372 175.403 174.900 0.219 0.000 0.975 145 G CA 0.363 45.491 45.100 0.047 0.000 0.644 145 G HN 0.331 nan 8.290 nan 0.000 0.537 146 K N 0.954 121.499 120.400 0.243 0.000 2.143 146 K HA 0.477 4.797 4.320 -0.000 0.000 0.272 146 K C -2.567 174.180 176.600 0.244 0.000 1.001 146 K CA -2.121 54.312 56.287 0.243 0.000 0.915 146 K CB 1.178 33.757 32.500 0.132 0.000 1.047 146 K HN -0.023 nan 8.250 nan 0.000 0.458 147 P HA -0.085 nan 4.420 nan 0.000 0.264 147 P C -1.128 176.125 177.300 -0.079 0.000 1.183 147 P CA -0.110 62.908 63.100 -0.138 0.000 0.763 147 P CB 0.371 32.000 31.700 -0.118 0.000 0.807 148 L N 7.079 128.221 121.223 -0.135 0.000 2.301 148 L HA 0.516 4.856 4.340 -0.000 0.000 0.278 148 L C -2.610 174.224 176.870 -0.061 0.000 1.022 148 L CA -2.683 52.108 54.840 -0.081 0.000 0.854 148 L CB 1.070 43.055 42.059 -0.123 0.000 1.226 148 L HN 0.213 nan 8.230 nan 0.000 0.429 149 P HA 0.280 nan 4.420 nan 0.000 0.274 149 P C -0.429 176.872 177.300 0.002 0.000 1.237 149 P CA -0.047 63.048 63.100 -0.008 0.000 0.793 149 P CB 0.354 32.054 31.700 0.001 0.000 0.977 150 N N -2.135 116.574 118.700 0.016 0.000 2.741 150 N HA -0.201 4.539 4.740 -0.000 0.000 0.250 150 N C -0.383 175.139 175.510 0.019 0.000 1.115 150 N CA -0.013 53.050 53.050 0.022 0.000 0.724 150 N CB -1.080 37.420 38.487 0.021 0.000 1.090 150 N HN 0.504 nan 8.380 nan 0.000 0.558 151 A N 1.050 123.878 122.820 0.014 0.000 2.316 151 A HA 0.404 4.724 4.320 -0.000 0.000 0.284 151 A C 0.415 178.021 177.584 0.036 0.000 1.115 151 A CA -0.265 51.778 52.037 0.009 0.000 0.812 151 A CB 0.853 19.842 19.000 -0.018 0.000 1.064 151 A HN 0.257 nan 8.150 nan 0.000 0.489 152 K N 2.537 122.963 120.400 0.043 0.000 2.292 152 K HA 0.488 4.808 4.320 -0.000 0.000 0.270 152 K C -1.391 175.261 176.600 0.087 0.000 1.062 152 K CA -0.302 56.023 56.287 0.063 0.000 0.916 152 K CB 0.609 33.145 32.500 0.061 0.000 1.166 152 K HN 0.427 nan 8.250 nan 0.000 0.458 153 V N 4.666 124.625 119.914 0.075 0.000 2.383 153 V HA 0.216 4.336 4.120 -0.000 0.000 0.275 153 V C -0.247 175.910 176.094 0.105 0.000 1.036 153 V CA -0.548 61.792 62.300 0.066 0.000 0.889 153 V CB 1.212 32.971 31.823 -0.107 0.000 0.985 153 V HN 0.766 nan 8.190 nan 0.000 0.459 154 E N 5.417 125.749 120.200 0.220 0.000 2.171 154 E HA 0.673 5.023 4.350 -0.000 0.000 0.271 154 E C -1.115 175.644 176.600 0.264 0.000 0.916 154 E CA -0.520 56.064 56.400 0.307 0.000 0.774 154 E CB 2.525 32.533 29.700 0.513 0.000 1.128 154 E HN 0.540 nan 8.360 nan 0.000 0.403 155 I N 2.637 123.332 120.570 0.207 0.000 2.647 155 I HA 0.560 4.730 4.170 -0.000 0.000 0.295 155 I C -1.215 175.108 176.117 0.344 0.000 1.078 155 I CA -0.959 60.370 61.300 0.047 0.000 1.048 155 I CB 1.309 39.188 38.000 -0.202 0.000 1.239 155 I HN 0.611 nan 8.210 nan 0.000 0.421 156 W N 5.146 126.478 121.300 0.053 0.000 3.372 156 W HA 0.751 5.410 4.660 -0.000 0.000 0.315 156 W C -1.615 175.046 176.519 0.237 0.000 1.223 156 W CA -0.612 56.784 57.345 0.084 0.000 1.202 156 W CB 0.482 30.024 29.460 0.136 0.000 1.367 156 W HN 0.688 nan 8.180 nan 0.000 0.531 157 H N 0.843 120.017 119.070 0.174 0.000 2.932 157 H HA 0.834 5.390 4.556 -0.000 0.000 0.307 157 H C -1.245 173.735 175.328 -0.579 0.000 1.391 157 H CA -0.957 54.982 56.048 -0.182 0.000 1.130 157 H CB 0.611 30.243 29.762 -0.216 0.000 1.836 157 H HN 0.834 nan 8.280 nan 0.000 0.522 158 A N 0.844 123.230 122.820 -0.725 0.000 2.257 158 A HA 0.471 4.791 4.320 -0.000 0.000 0.289 158 A C 0.113 177.633 177.584 -0.107 0.000 1.095 158 A CA -0.195 51.457 52.037 -0.642 0.000 0.836 158 A CB 0.004 18.601 19.000 -0.672 0.000 1.111 158 A HN 0.943 nan 8.150 nan 0.000 0.497 159 N N -1.096 117.556 118.700 -0.080 0.000 2.452 159 N HA 0.199 4.939 4.740 -0.000 0.000 0.296 159 N C 0.847 176.332 175.510 -0.041 0.000 1.304 159 N CA 0.368 53.415 53.050 -0.006 0.000 0.956 159 N CB -0.828 37.667 38.487 0.015 0.000 1.106 159 N HN 0.547 nan 8.380 nan 0.000 0.555 160 T N -3.941 110.593 114.554 -0.032 0.000 3.072 160 T HA 0.045 4.395 4.350 -0.000 0.000 0.266 160 T C 0.849 175.478 174.700 -0.120 0.000 1.127 160 T CA 0.789 62.858 62.100 -0.052 0.000 1.107 160 T CB -0.311 68.545 68.868 -0.021 0.000 0.910 160 T HN 0.463 nan 8.240 nan 0.000 0.513 161 K N 0.739 121.021 120.400 -0.198 0.000 2.374 161 K HA 0.360 4.680 4.320 -0.000 0.000 0.196 161 K C 1.309 177.502 176.600 -0.678 0.000 1.023 161 K CA 0.202 56.228 56.287 -0.434 0.000 1.103 161 K CB 0.188 32.394 32.500 -0.490 0.000 0.848 161 K HN 0.444 nan 8.250 nan 0.000 0.528 162 G N 1.820 110.423 108.800 -0.329 0.000 2.221 162 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.265 162 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.265 162 G C -0.391 174.432 174.900 -0.127 0.000 1.041 162 G CA -0.076 44.936 45.100 -0.147 0.000 0.807 162 G HN 0.137 nan 8.290 nan 0.000 0.502 163 F N -0.640 119.283 119.950 -0.046 0.000 2.508 163 F HA 0.720 5.247 4.527 0.000 0.000 0.325 163 F C 0.279 176.051 175.800 -0.046 0.000 1.090 163 F CA -2.278 55.716 58.000 -0.011 0.000 0.945 163 F CB 1.174 40.185 39.000 0.019 0.000 1.156 163 F HN 0.053 nan 8.300 nan 0.000 0.463 164 Y N 0.125 120.533 120.300 0.180 0.000 2.387 164 Y HA 0.388 4.938 4.550 -0.000 0.000 0.330 164 Y C 0.640 176.641 175.900 0.169 0.000 1.133 164 Y CA -1.065 57.131 58.100 0.160 0.000 1.152 164 Y CB 1.311 39.879 38.460 0.180 0.000 1.215 164 Y HN 0.571 nan 8.280 nan 0.000 0.466 165 S N 0.863 116.723 115.700 0.266 0.000 2.562 165 S HA 0.131 4.601 4.470 -0.000 0.000 0.281 165 S C -0.280 174.414 174.600 0.158 0.000 1.333 165 S CA 0.171 58.432 58.200 0.103 0.000 1.052 165 S CB 0.062 63.291 63.200 0.049 0.000 0.884 165 S HN 0.958 nan 8.310 nan 0.000 0.506 166 H N -0.355 118.568 119.070 -0.244 0.000 4.089 166 H HA -0.174 4.382 4.556 -0.000 0.000 0.142 166 H C -0.227 174.620 175.328 -0.803 0.000 0.778 166 H CA 1.913 57.630 56.048 -0.550 0.000 1.258 166 H CB -1.820 27.506 29.762 -0.726 0.000 0.810 166 H HN 0.641 nan 8.280 nan 0.000 0.487 167 F N 0.071 120.012 119.950 -0.015 0.000 2.811 167 F HA 0.233 4.760 4.527 -0.000 0.000 0.342 167 F C 0.335 176.064 175.800 -0.119 0.000 1.203 167 F CA -0.647 57.318 58.000 -0.058 0.000 1.173 167 F CB 0.948 39.922 39.000 -0.043 0.000 1.094 167 F HN 0.001 nan 8.300 nan 0.000 0.510 168 D N 3.312 123.674 120.400 -0.063 0.000 2.347 168 D HA 0.169 4.809 4.640 -0.000 0.000 0.235 168 D C -1.366 174.735 176.300 -0.331 0.000 1.149 168 D CA -1.916 51.945 54.000 -0.233 0.000 0.850 168 D CB 1.873 42.608 40.800 -0.108 0.000 1.061 168 D HN 0.033 nan 8.370 nan 0.000 0.487 169 P HA -0.162 nan 4.420 nan 0.000 0.216 169 P C 1.197 178.343 177.300 -0.256 0.000 1.150 169 P CA 1.248 64.132 63.100 -0.360 0.000 0.837 169 P CB -0.051 31.392 31.700 -0.429 0.000 0.786 170 T N -4.138 110.252 114.554 -0.274 0.000 3.072 170 T HA 0.117 4.467 4.350 -0.000 0.000 0.266 170 T C 1.598 176.240 174.700 -0.096 0.000 1.127 170 T CA 0.779 62.810 62.100 -0.115 0.000 1.107 170 T CB -1.587 67.270 68.868 -0.017 0.000 0.910 170 T HN 0.281 nan 8.240 nan 0.000 0.513 171 G N 1.659 110.379 108.800 -0.133 0.000 2.321 171 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.287 171 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.287 171 G C 0.304 175.151 174.900 -0.088 0.000 1.018 171 G CA 0.574 45.602 45.100 -0.120 0.000 0.855 171 G HN 0.680 nan 8.290 nan 0.000 0.507 172 E N -0.759 119.407 120.200 -0.056 0.000 2.465 172 E HA 0.101 4.451 4.350 -0.000 0.000 0.195 172 E C 0.879 177.458 176.600 -0.035 0.000 1.028 172 E CA -0.063 56.317 56.400 -0.034 0.000 0.899 172 E CB 0.353 30.051 29.700 -0.003 0.000 1.032 172 E HN 0.691 nan 8.360 nan 0.000 0.468 173 Q N 1.666 121.429 119.800 -0.061 0.000 2.256 173 Q HA 0.181 4.521 4.340 -0.000 0.000 0.257 173 Q C -0.264 175.666 176.000 -0.117 0.000 0.936 173 Q CA -0.550 55.214 55.803 -0.065 0.000 0.903 173 Q CB 1.708 30.416 28.738 -0.051 0.000 1.263 173 Q HN 0.177 nan 8.270 nan 0.000 0.440 174 Q N 0.579 120.329 119.800 -0.084 0.000 2.354 174 Q HA 0.555 4.895 4.340 -0.000 0.000 0.244 174 Q C -0.509 175.405 176.000 -0.143 0.000 0.969 174 Q CA -0.637 55.110 55.803 -0.094 0.000 0.885 174 Q CB 0.767 29.488 28.738 -0.029 0.000 1.241 174 Q HN 0.620 nan 8.270 nan 0.000 0.461 175 A N 1.804 124.514 122.820 -0.183 0.000 2.587 175 A HA 0.101 4.421 4.320 -0.000 0.000 0.233 175 A C -0.194 177.439 177.584 0.083 0.000 1.049 175 A CA 0.192 52.068 52.037 -0.270 0.000 0.754 175 A CB -0.875 18.086 19.000 -0.065 0.000 0.977 175 A HN 0.877 nan 8.150 nan 0.000 0.509 176 F N -0.983 119.136 119.950 0.281 0.000 3.048 176 F HA -0.237 4.290 4.527 0.000 0.000 0.287 176 F C 0.797 176.635 175.800 0.064 0.000 0.796 176 F CA 1.197 59.300 58.000 0.171 0.000 1.111 176 F CB -2.149 36.895 39.000 0.073 0.000 1.320 176 F HN 0.829 nan 8.300 nan 0.000 0.430 177 N N 0.825 119.593 118.700 0.114 0.000 2.454 177 N HA 0.223 4.963 4.740 -0.000 0.000 0.260 177 N C 0.917 176.441 175.510 0.024 0.000 1.218 177 N CA 0.535 53.618 53.050 0.056 0.000 0.904 177 N CB 0.180 38.674 38.487 0.011 0.000 1.065 177 N HN 0.370 nan 8.380 nan 0.000 0.462 178 M N 0.642 120.227 119.600 -0.025 0.000 2.576 178 M HA -0.271 4.209 4.480 -0.000 0.000 0.200 178 M C -0.916 175.313 176.300 -0.119 0.000 0.487 178 M CA 1.011 56.202 55.300 -0.181 0.000 0.553 178 M CB -1.202 31.154 32.600 -0.407 0.000 2.042 178 M HN 0.611 nan 8.290 nan 0.000 0.758 179 R N 0.294 120.830 120.500 0.059 0.000 2.514 179 R HA 0.686 5.026 4.340 -0.000 0.000 0.296 179 R C -0.503 175.885 176.300 0.146 0.000 1.012 179 R CA -0.942 55.257 56.100 0.165 0.000 0.897 179 R CB 1.880 32.317 30.300 0.229 0.000 1.184 179 R HN 0.097 nan 8.270 nan 0.000 0.440 180 R N 0.855 121.432 120.500 0.128 0.000 2.710 180 R HA 0.449 4.789 4.340 -0.000 0.000 0.270 180 R C -1.162 175.193 176.300 0.091 0.000 1.021 180 R CA -0.893 55.251 56.100 0.074 0.000 0.889 180 R CB 2.480 32.799 30.300 0.032 0.000 1.243 180 R HN 0.501 nan 8.270 nan 0.000 0.464 181 S N 1.324 117.060 115.700 0.059 0.000 2.473 181 S HA 0.648 5.118 4.470 -0.000 0.000 0.307 181 S C -0.492 174.140 174.600 0.054 0.000 1.094 181 S CA -0.586 57.660 58.200 0.077 0.000 1.070 181 S CB 1.047 64.287 63.200 0.067 0.000 1.019 181 S HN 0.297 nan 8.310 nan 0.000 0.480 182 I N 3.641 124.250 120.570 0.064 0.000 2.436 182 I HA 0.401 4.571 4.170 -0.000 0.000 0.289 182 I C -0.636 175.532 176.117 0.085 0.000 1.010 182 I CA -0.429 60.917 61.300 0.076 0.000 1.098 182 I CB 1.378 39.446 38.000 0.115 0.000 1.266 182 I HN 0.437 nan 8.210 nan 0.000 0.434 183 I N 4.791 125.408 120.570 0.079 0.000 2.342 183 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 183 I C 0.870 177.040 176.117 0.088 0.000 1.010 183 I CA -0.382 60.961 61.300 0.070 0.000 1.308 183 I CB 1.188 39.219 38.000 0.052 0.000 1.400 183 I HN 0.671 nan 8.210 nan 0.000 0.488 184 T N 2.464 117.070 114.554 0.086 0.000 2.932 184 T HA 0.154 4.504 4.350 -0.000 0.000 0.312 184 T C 0.175 174.910 174.700 0.058 0.000 1.071 184 T CA -0.844 61.310 62.100 0.091 0.000 1.128 184 T CB 0.654 69.562 68.868 0.068 0.000 0.984 184 T HN 0.594 nan 8.240 nan 0.000 0.549 185 D N 1.503 121.935 120.400 0.055 0.000 2.398 185 D HA 0.121 4.761 4.640 -0.000 0.000 0.264 185 D C 1.055 177.364 176.300 0.015 0.000 1.263 185 D CA -0.681 53.340 54.000 0.035 0.000 1.037 185 D CB 0.218 41.039 40.800 0.036 0.000 1.101 185 D HN 0.545 nan 8.370 nan 0.000 0.551 186 E N -0.917 119.290 120.200 0.011 0.000 2.219 186 E HA -0.155 4.195 4.350 -0.000 0.000 0.198 186 E C 0.641 177.239 176.600 -0.004 0.000 0.998 186 E CA 1.159 57.562 56.400 0.005 0.000 0.818 186 E CB -0.379 29.324 29.700 0.005 0.000 0.741 186 E HN 0.342 nan 8.360 nan 0.000 0.477 187 N N -0.256 118.438 118.700 -0.010 0.000 2.251 187 N HA 0.130 4.870 4.740 -0.000 0.000 0.217 187 N C 0.429 175.905 175.510 -0.058 0.000 1.124 187 N CA 0.705 53.740 53.050 -0.025 0.000 0.843 187 N CB 1.066 39.541 38.487 -0.020 0.000 1.024 187 N HN 0.241 nan 8.380 nan 0.000 0.501 188 G N 1.229 109.999 108.800 -0.049 0.000 2.249 188 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.273 188 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.273 188 G C -0.123 174.734 174.900 -0.073 0.000 1.036 188 G CA 0.322 45.374 45.100 -0.080 0.000 0.824 188 G HN 0.406 nan 8.290 nan 0.000 0.504 189 Q N -1.227 118.563 119.800 -0.017 0.000 2.248 189 Q HA 0.713 5.053 4.340 -0.000 0.000 0.263 189 Q C -0.324 175.743 176.000 0.112 0.000 1.007 189 Q CA -1.090 54.713 55.803 -0.000 0.000 0.877 189 Q CB 1.723 30.439 28.738 -0.036 0.000 1.315 189 Q HN 0.714 nan 8.270 nan 0.000 0.454 190 Y N -1.539 118.812 120.300 0.085 0.000 2.524 190 Y HA 0.768 5.318 4.550 0.000 0.000 0.347 190 Y C -1.296 174.705 175.900 0.169 0.000 1.005 190 Y CA -1.178 56.991 58.100 0.115 0.000 1.025 190 Y CB 1.739 40.274 38.460 0.125 0.000 1.275 190 Y HN 0.598 nan 8.280 nan 0.000 0.460 191 R N 3.177 123.805 120.500 0.212 0.000 2.535 191 R HA 0.722 5.062 4.340 -0.000 0.000 0.274 191 R C -2.176 174.214 176.300 0.150 0.000 1.090 191 R CA -0.825 55.383 56.100 0.180 0.000 0.930 191 R CB 2.273 32.687 30.300 0.190 0.000 1.223 191 R HN 1.040 nan 8.270 nan 0.000 0.441 192 V N 0.621 120.613 119.914 0.129 0.000 3.007 192 V HA 0.702 4.822 4.120 -0.000 0.000 0.311 192 V C -1.056 175.043 176.094 0.008 0.000 1.120 192 V CA -1.145 61.114 62.300 -0.068 0.000 0.980 192 V CB 1.917 33.761 31.823 0.034 0.000 1.033 192 V HN 0.880 nan 8.190 nan 0.000 0.429 193 R N 1.728 122.181 120.500 -0.079 0.000 2.445 193 R HA 0.802 5.142 4.340 -0.000 0.000 0.308 193 R C -0.414 175.910 176.300 0.040 0.000 0.961 193 R CA 0.392 56.518 56.100 0.044 0.000 0.862 193 R CB 1.827 32.192 30.300 0.109 0.000 1.144 193 R HN 1.180 nan 8.270 nan 0.000 0.447 194 T N 3.287 117.885 114.554 0.073 0.000 2.626 194 T HA 0.485 4.835 4.350 -0.000 0.000 0.285 194 T C -1.358 173.391 174.700 0.081 0.000 1.194 194 T CA -0.523 61.641 62.100 0.106 0.000 1.112 194 T CB 0.575 69.571 68.868 0.214 0.000 1.714 194 T HN 0.605 nan 8.240 nan 0.000 0.457 195 I N -0.186 120.444 120.570 0.100 0.000 2.934 195 I HA 0.631 4.801 4.170 -0.000 0.000 0.306 195 I C -0.978 175.121 176.117 -0.030 0.000 1.110 195 I CA -1.441 59.889 61.300 0.049 0.000 1.019 195 I CB 1.826 39.873 38.000 0.080 0.000 1.227 195 I HN 0.534 nan 8.210 nan 0.000 0.434 196 L N 5.300 126.518 121.223 -0.008 0.000 2.562 196 L HA 0.259 4.599 4.340 -0.000 0.000 0.271 196 L C -1.846 174.972 176.870 -0.087 0.000 1.167 196 L CA -1.290 53.517 54.840 -0.054 0.000 0.917 196 L CB 0.168 42.257 42.059 0.050 0.000 1.187 196 L HN 0.468 nan 8.230 nan 0.000 0.482 197 P HA 0.178 nan 4.420 nan 0.000 0.272 197 P C -1.015 176.235 177.300 -0.084 0.000 1.240 197 P CA -0.491 62.524 63.100 -0.142 0.000 0.791 197 P CB 1.298 32.844 31.700 -0.256 0.000 0.978 198 A N 1.454 124.243 122.820 -0.052 0.000 2.337 198 A HA 0.682 5.002 4.320 -0.000 0.000 0.331 198 A C 0.582 178.176 177.584 0.018 0.000 1.137 198 A CA -0.422 51.596 52.037 -0.030 0.000 0.807 198 A CB 0.685 19.656 19.000 -0.049 0.000 1.250 198 A HN 0.596 nan 8.150 nan 0.000 0.468 199 G N -0.673 108.127 108.800 0.000 0.000 2.651 199 G HA2 0.505 4.465 3.960 -0.000 0.000 0.260 199 G HA3 0.505 4.465 3.960 -0.000 0.000 0.260 199 G C -0.501 174.414 174.900 0.024 0.000 1.216 199 G CA 0.305 45.381 45.100 -0.039 0.000 0.913 199 G HN 1.392 nan 8.290 nan 0.000 0.535 200 Y N -2.975 117.324 120.300 -0.002 0.000 2.638 200 Y HA 0.752 5.302 4.550 -0.000 0.000 0.335 200 Y C 0.147 176.007 175.900 -0.066 0.000 1.155 200 Y CA -1.074 57.015 58.100 -0.018 0.000 1.046 200 Y CB 0.856 39.367 38.460 0.086 0.000 1.303 200 Y HN 0.862 nan 8.280 nan 0.000 0.460 201 G N -0.406 108.470 108.800 0.127 0.000 3.108 201 G HA2 0.524 4.484 3.960 -0.000 0.000 0.268 201 G HA3 0.524 4.484 3.960 -0.000 0.000 0.268 201 G C -1.264 173.649 174.900 0.022 0.000 1.361 201 G CA -1.067 43.998 45.100 -0.058 0.000 1.047 201 G HN 0.946 nan 8.290 nan 0.000 0.540 202 C N 0.413 119.629 119.300 -0.141 0.000 2.595 202 C HA 0.390 4.850 4.460 -0.000 0.000 0.384 202 C C -1.897 173.097 174.990 0.008 0.000 1.289 202 C CA -0.547 58.419 59.018 -0.088 0.000 2.372 202 C CB 0.624 28.268 27.740 -0.160 0.000 2.593 202 C HN 0.404 nan 8.230 nan 0.000 0.639 203 P HA 0.070 nan 4.420 nan 0.000 0.262 203 P C -1.557 175.763 177.300 0.033 0.000 1.199 203 P CA -0.482 62.647 63.100 0.048 0.000 0.763 203 P CB 0.214 31.936 31.700 0.036 0.000 0.790 204 P HA -0.226 nan 4.420 nan 0.000 0.216 204 P C 0.758 178.077 177.300 0.032 0.000 1.150 204 P CA 1.726 64.845 63.100 0.031 0.000 0.843 204 P CB 0.266 31.989 31.700 0.038 0.000 0.787 205 E N -0.248 119.971 120.200 0.031 0.000 2.442 205 E HA 0.112 4.462 4.350 -0.000 0.000 0.195 205 E C 1.464 178.082 176.600 0.030 0.000 1.030 205 E CA 0.123 56.540 56.400 0.029 0.000 0.869 205 E CB -0.451 29.263 29.700 0.023 0.000 0.857 205 E HN 0.232 nan 8.360 nan 0.000 0.505 206 G N 2.834 111.651 108.800 0.029 0.000 2.636 206 G HA2 0.073 4.033 3.960 -0.000 0.000 0.246 206 G HA3 0.073 4.033 3.960 -0.000 0.000 0.246 206 G C -1.363 173.567 174.900 0.050 0.000 1.216 206 G CA -0.816 44.300 45.100 0.026 0.000 0.854 206 G HN -0.068 nan 8.290 nan 0.000 0.572 207 P HA -0.115 nan 4.420 nan 0.000 0.218 207 P C 1.678 179.126 177.300 0.245 0.000 1.148 207 P CA 1.423 64.569 63.100 0.077 0.000 0.822 207 P CB 0.106 31.651 31.700 -0.259 0.000 0.784 208 T N 0.183 114.833 114.554 0.159 0.000 2.674 208 T HA -0.183 4.167 4.350 -0.000 0.000 0.265 208 T C 2.044 176.837 174.700 0.155 0.000 1.039 208 T CA 1.783 64.004 62.100 0.201 0.000 1.150 208 T CB -0.736 68.227 68.868 0.159 0.000 0.864 208 T HN 0.128 nan 8.240 nan 0.000 0.427 209 Q N 1.602 121.455 119.800 0.088 0.000 2.061 209 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 209 Q C 2.337 178.383 176.000 0.077 0.000 0.984 209 Q CA 2.067 57.900 55.803 0.050 0.000 0.846 209 Q CB -0.461 28.293 28.738 0.026 0.000 0.902 209 Q HN 0.794 nan 8.270 nan 0.000 0.421 210 Q N -0.612 119.254 119.800 0.109 0.000 2.124 210 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 210 Q C 2.114 178.163 176.000 0.083 0.000 0.977 210 Q CA 1.488 57.353 55.803 0.103 0.000 0.850 210 Q CB -0.567 28.249 28.738 0.130 0.000 0.901 210 Q HN 0.511 nan 8.270 nan 0.000 0.429 211 L N 0.430 121.718 121.223 0.109 0.000 2.056 211 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 211 L C 2.339 179.222 176.870 0.022 0.000 1.078 211 L CA 0.923 55.755 54.840 -0.013 0.000 0.749 211 L CB -0.123 41.906 42.059 -0.050 0.000 0.901 211 L HN 0.336 nan 8.230 nan 0.000 0.433 212 L N -0.118 121.147 121.223 0.069 0.000 2.079 212 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 212 L C 2.145 179.041 176.870 0.044 0.000 1.081 212 L CA 1.906 56.784 54.840 0.064 0.000 0.752 212 L CB -0.786 41.315 42.059 0.070 0.000 0.896 212 L HN 0.439 nan 8.230 nan 0.000 0.433 213 N N -0.753 117.972 118.700 0.041 0.000 2.104 213 N HA -0.208 4.532 4.740 -0.000 0.000 0.190 213 N C 1.674 177.199 175.510 0.025 0.000 1.024 213 N CA 0.816 53.888 53.050 0.036 0.000 0.853 213 N CB -0.012 38.497 38.487 0.037 0.000 1.008 213 N HN 0.347 nan 8.380 nan 0.000 0.424 214 Q N 0.436 120.243 119.800 0.011 0.000 2.437 214 Q HA 0.009 4.349 4.340 -0.000 0.000 0.210 214 Q C 1.428 177.427 176.000 -0.001 0.000 0.972 214 Q CA 0.715 56.516 55.803 -0.003 0.000 0.903 214 Q CB 0.079 28.799 28.738 -0.031 0.000 0.967 214 Q HN 0.531 nan 8.270 nan 0.000 0.486 215 L N -1.191 120.038 121.223 0.010 0.000 2.693 215 L HA 0.257 4.597 4.340 -0.000 0.000 0.235 215 L C 0.897 177.784 176.870 0.028 0.000 1.127 215 L CA 0.219 55.068 54.840 0.015 0.000 0.914 215 L CB 0.087 42.159 42.059 0.023 0.000 1.193 215 L HN 0.219 nan 8.230 nan 0.000 0.502 216 G N 1.479 110.299 108.800 0.032 0.000 2.198 216 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 216 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 216 G C 0.247 175.183 174.900 0.060 0.000 1.025 216 G CA 0.231 45.357 45.100 0.044 0.000 0.769 216 G HN 0.399 nan 8.290 nan 0.000 0.507 217 R N -0.198 120.335 120.500 0.055 0.000 2.828 217 R HA 0.623 4.963 4.340 -0.000 0.000 0.264 217 R C 0.677 177.008 176.300 0.051 0.000 1.022 217 R CA -0.711 55.414 56.100 0.043 0.000 1.021 217 R CB 1.055 31.360 30.300 0.010 0.000 1.163 217 R HN 0.603 nan 8.270 nan 0.000 0.494 218 H N -1.526 117.581 119.070 0.061 0.000 2.570 218 H HA 0.441 4.997 4.556 -0.000 0.000 0.342 218 H C -0.150 175.151 175.328 -0.046 0.000 1.245 218 H CA -0.848 55.205 56.048 0.008 0.000 1.318 218 H CB 1.667 31.445 29.762 0.027 0.000 1.694 218 H HN 0.763 nan 8.280 nan 0.000 0.592 219 G N 1.258 110.006 108.800 -0.087 0.000 4.637 219 G HA2 0.087 4.047 3.960 -0.000 0.000 0.294 219 G HA3 0.087 4.047 3.960 -0.000 0.000 0.294 219 G C -0.594 173.971 174.900 -0.559 0.000 1.215 219 G CA -0.518 44.263 45.100 -0.533 0.000 0.943 219 G HN 0.538 nan 8.290 nan 0.000 0.572 220 N N 0.851 119.491 118.700 -0.101 0.000 2.472 220 N HA 0.554 5.294 4.740 -0.000 0.000 0.289 220 N C -0.273 175.050 175.510 -0.311 0.000 1.156 220 N CA -0.295 52.508 53.050 -0.412 0.000 0.940 220 N CB 1.781 39.671 38.487 -0.995 0.000 1.200 220 N HN 0.174 nan 8.380 nan 0.000 0.511 221 R N 0.660 120.916 120.500 -0.407 0.000 2.750 221 R HA 0.504 4.844 4.340 -0.000 0.000 0.281 221 R C -2.456 173.700 176.300 -0.241 0.000 0.972 221 R CA -1.543 54.389 56.100 -0.280 0.000 0.912 221 R CB 2.381 32.441 30.300 -0.400 0.000 1.187 221 R HN 0.409 nan 8.270 nan 0.000 0.464 222 P HA 0.097 nan 4.420 nan 0.000 0.276 222 P C -0.710 176.621 177.300 0.051 0.000 1.252 222 P CA -0.339 62.768 63.100 0.012 0.000 0.802 222 P CB 0.750 32.451 31.700 0.002 0.000 1.035 223 A N 2.531 125.366 122.820 0.025 0.000 2.546 223 A HA 0.307 4.627 4.320 -0.000 0.000 0.243 223 A C 0.621 178.218 177.584 0.021 0.000 1.063 223 A CA 0.425 52.460 52.037 -0.003 0.000 0.757 223 A CB -0.712 18.259 19.000 -0.047 0.000 0.991 223 A HN 0.860 nan 8.150 nan 0.000 0.503 224 H N -0.415 118.587 119.070 -0.112 0.000 2.960 224 H HA 0.714 5.270 4.556 -0.000 0.000 0.323 224 H C -1.798 173.411 175.328 -0.197 0.000 1.326 224 H CA -1.251 54.687 56.048 -0.184 0.000 1.124 224 H CB 1.054 30.668 29.762 -0.246 0.000 1.853 224 H HN 0.462 nan 8.280 nan 0.000 0.536 225 I N 1.829 122.267 120.570 -0.220 0.000 2.533 225 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 225 I C -0.360 175.580 176.117 -0.294 0.000 1.056 225 I CA -0.674 60.481 61.300 -0.243 0.000 1.057 225 I CB 2.126 40.034 38.000 -0.153 0.000 1.240 225 I HN 0.428 nan 8.210 nan 0.000 0.423 226 H N 5.210 124.003 119.070 -0.461 0.000 2.511 226 H HA 0.417 4.973 4.556 -0.000 0.000 0.346 226 H C -1.394 173.481 175.328 -0.756 0.000 1.128 226 H CA 0.066 55.606 56.048 -0.846 0.000 1.342 226 H CB 1.571 29.994 29.762 -2.232 0.000 1.470 226 H HN 0.377 nan 8.280 nan 0.000 0.546 227 Y N 1.257 121.346 120.300 -0.353 0.000 2.477 227 Y HA 0.274 4.824 4.550 0.000 0.000 0.347 227 Y C -0.735 175.298 175.900 0.222 0.000 0.981 227 Y CA -0.749 57.338 58.100 -0.022 0.000 1.033 227 Y CB 1.540 40.046 38.460 0.077 0.000 1.245 227 Y HN 0.413 nan 8.280 nan 0.000 0.455 228 F N 2.552 122.743 119.950 0.402 0.000 2.536 228 F HA 0.653 5.180 4.527 -0.000 0.000 0.322 228 F C -0.968 174.956 175.800 0.207 0.000 1.144 228 F CA -1.678 56.492 58.000 0.284 0.000 0.924 228 F CB 1.700 40.836 39.000 0.227 0.000 1.181 228 F HN 0.094 nan 8.300 nan 0.000 0.438 229 V N 3.466 123.575 119.914 0.325 0.000 2.525 229 V HA 0.663 4.783 4.120 -0.000 0.000 0.299 229 V C -0.633 175.518 176.094 0.094 0.000 1.034 229 V CA -0.703 61.707 62.300 0.184 0.000 0.863 229 V CB 1.880 33.792 31.823 0.148 0.000 0.999 229 V HN 0.748 nan 8.190 nan 0.000 0.423 230 S N 3.066 118.801 115.700 0.059 0.000 2.569 230 S HA 1.014 5.484 4.470 -0.000 0.000 0.280 230 S C -0.626 173.990 174.600 0.027 0.000 1.111 230 S CA -0.329 57.887 58.200 0.028 0.000 0.887 230 S CB 2.572 65.765 63.200 -0.011 0.000 1.095 230 S HN 1.739 nan 8.310 nan 0.000 0.476 231 A N 1.017 123.863 122.820 0.043 0.000 2.605 231 A HA 0.627 4.947 4.320 -0.000 0.000 0.294 231 A C -1.562 176.097 177.584 0.124 0.000 1.062 231 A CA -0.905 51.161 52.037 0.049 0.000 0.682 231 A CB 0.705 19.683 19.000 -0.035 0.000 1.278 231 A HN 0.789 nan 8.150 nan 0.000 0.410 232 D N 0.643 121.111 120.400 0.112 0.000 2.488 232 D HA 0.365 5.005 4.640 -0.000 0.000 0.238 232 D C 1.423 177.833 176.300 0.183 0.000 1.138 232 D CA 2.199 56.264 54.000 0.110 0.000 0.873 232 D CB 0.780 41.625 40.800 0.075 0.000 1.183 232 D HN 1.638 nan 8.370 nan 0.000 0.458 233 G N 1.708 110.552 108.800 0.073 0.000 2.184 233 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.264 233 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.264 233 G C 0.121 174.883 174.900 -0.230 0.000 0.975 233 G CA 0.604 45.673 45.100 -0.052 0.000 0.642 233 G HN 0.674 nan 8.290 nan 0.000 0.536 234 H N -0.614 118.463 119.070 0.010 0.000 2.731 234 H HA 0.733 5.289 4.556 -0.000 0.000 0.368 234 H C 0.572 175.903 175.328 0.005 0.000 1.168 234 H CA -0.852 55.204 56.048 0.013 0.000 1.181 234 H CB 0.870 30.645 29.762 0.023 0.000 1.743 234 H HN 0.268 nan 8.280 nan 0.000 0.547 235 R N 0.985 121.558 120.500 0.122 0.000 2.490 235 R HA 0.194 4.534 4.340 -0.000 0.000 0.278 235 R C -0.129 176.207 176.300 0.062 0.000 1.069 235 R CA -0.702 55.435 56.100 0.061 0.000 1.080 235 R CB 0.972 31.296 30.300 0.040 0.000 1.030 235 R HN 0.454 nan 8.270 nan 0.000 0.491 236 K N 2.496 122.903 120.400 0.012 0.000 2.379 236 K HA 0.048 4.368 4.320 -0.000 0.000 0.284 236 K C -0.682 175.933 176.600 0.025 0.000 1.044 236 K CA -0.321 55.956 56.287 -0.018 0.000 0.974 236 K CB 0.450 32.874 32.500 -0.126 0.000 0.962 236 K HN 0.244 nan 8.250 nan 0.000 0.474 237 L N 4.224 125.494 121.223 0.078 0.000 2.289 237 L HA 0.339 4.679 4.340 -0.000 0.000 0.285 237 L C -0.946 176.072 176.870 0.248 0.000 1.049 237 L CA 0.425 55.346 54.840 0.136 0.000 0.804 237 L CB 1.690 43.827 42.059 0.129 0.000 1.195 237 L HN 0.589 nan 8.230 nan 0.000 0.428 238 T N 4.175 118.889 114.554 0.267 0.000 2.786 238 T HA 0.662 5.012 4.350 -0.000 0.000 0.283 238 T C -0.291 174.571 174.700 0.271 0.000 0.992 238 T CA -0.320 62.022 62.100 0.403 0.000 0.954 238 T CB 1.261 70.382 68.868 0.420 0.000 0.934 238 T HN 0.838 nan 8.240 nan 0.000 0.440 239 T N 1.882 116.591 114.554 0.258 0.000 2.649 239 T HA 0.662 5.012 4.350 -0.000 0.000 0.305 239 T C -2.221 172.551 174.700 0.120 0.000 1.409 239 T CA -0.632 61.568 62.100 0.165 0.000 1.021 239 T CB 1.657 70.615 68.868 0.151 0.000 1.726 239 T HN 0.816 nan 8.240 nan 0.000 0.475 240 Q N 0.866 120.679 119.800 0.022 0.000 2.594 240 Q HA 0.598 4.938 4.340 -0.000 0.000 0.278 240 Q C -1.704 174.176 176.000 -0.199 0.000 0.961 240 Q CA -1.029 54.741 55.803 -0.055 0.000 0.844 240 Q CB 1.184 29.803 28.738 -0.197 0.000 1.475 240 Q HN 0.877 nan 8.270 nan 0.000 0.389 241 I N -0.217 120.201 120.570 -0.253 0.000 2.493 241 I HA 0.591 4.761 4.170 -0.000 0.000 0.298 241 I C -0.920 175.060 176.117 -0.228 0.000 0.998 241 I CA -0.966 60.081 61.300 -0.423 0.000 1.137 241 I CB 1.921 39.492 38.000 -0.715 0.000 1.310 241 I HN 0.515 nan 8.210 nan 0.000 0.445 242 N N 4.284 122.856 118.700 -0.214 0.000 2.456 242 N HA 0.321 5.061 4.740 -0.000 0.000 0.288 242 N C -0.710 174.723 175.510 -0.128 0.000 1.059 242 N CA -0.473 52.488 53.050 -0.148 0.000 0.946 242 N CB 2.696 41.071 38.487 -0.186 0.000 1.150 242 N HN 0.439 nan 8.380 nan 0.000 0.479 243 V N 2.052 121.910 119.914 -0.092 0.000 2.427 243 V HA 0.152 4.272 4.120 -0.000 0.000 0.268 243 V C 0.908 176.967 176.094 -0.059 0.000 1.046 243 V CA -0.841 61.415 62.300 -0.074 0.000 0.970 243 V CB 0.272 32.056 31.823 -0.064 0.000 1.001 243 V HN 0.711 nan 8.190 nan 0.000 0.476 244 A N 4.432 127.224 122.820 -0.047 0.000 2.565 244 A HA 0.473 4.793 4.320 -0.000 0.000 0.237 244 A C 1.590 179.164 177.584 -0.017 0.000 1.053 244 A CA 0.717 52.739 52.037 -0.024 0.000 0.755 244 A CB -0.354 18.641 19.000 -0.008 0.000 0.980 244 A HN 2.131 nan 8.150 nan 0.000 0.506 245 G N 1.059 109.857 108.800 -0.002 0.000 2.195 245 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.246 245 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.246 245 G C 0.172 175.062 174.900 -0.017 0.000 0.984 245 G CA 0.373 45.468 45.100 -0.007 0.000 0.633 245 G HN 1.091 nan 8.290 nan 0.000 0.525 246 D N 1.200 121.589 120.400 -0.018 0.000 2.424 246 D HA 0.258 4.898 4.640 -0.000 0.000 0.244 246 D C -0.416 175.869 176.300 -0.025 0.000 1.134 246 D CA -1.007 52.986 54.000 -0.011 0.000 0.881 246 D CB 1.287 42.089 40.800 0.002 0.000 1.191 246 D HN 0.103 nan 8.370 nan 0.000 0.445 247 P HA -0.133 nan 4.420 nan 0.000 0.216 247 P C 0.251 177.361 177.300 -0.316 0.000 1.150 247 P CA 1.252 64.219 63.100 -0.220 0.000 0.837 247 P CB 0.012 31.513 31.700 -0.331 0.000 0.786 248 Y N -1.930 118.330 120.300 -0.067 0.000 2.493 248 Y HA 0.096 4.646 4.550 -0.000 0.000 0.275 248 Y C 2.037 177.890 175.900 -0.077 0.000 1.183 248 Y CA 0.314 58.376 58.100 -0.063 0.000 1.258 248 Y CB -1.103 37.309 38.460 -0.080 0.000 1.108 248 Y HN -0.121 nan 8.280 nan 0.000 0.521 249 T N -0.707 113.845 114.554 -0.004 0.000 2.653 249 T HA -0.284 4.066 4.350 -0.000 0.000 0.268 249 T C 0.619 175.103 174.700 -0.360 0.000 1.035 249 T CA 1.895 63.881 62.100 -0.189 0.000 1.154 249 T CB -0.413 68.327 68.868 -0.213 0.000 0.862 249 T HN 0.388 nan 8.240 nan 0.000 0.441 250 Y N 0.419 120.721 120.300 0.002 0.000 2.756 250 Y HA 0.393 4.943 4.550 -0.000 0.000 0.300 250 Y C 0.498 176.418 175.900 0.033 0.000 1.113 250 Y CA -0.709 57.395 58.100 0.007 0.000 1.291 250 Y CB 0.460 38.918 38.460 -0.003 0.000 1.175 250 Y HN 0.087 nan 8.280 nan 0.000 0.534 251 D N -0.145 120.338 120.400 0.139 0.000 3.118 251 D HA 0.022 4.662 4.640 -0.000 0.000 0.352 251 D C -1.083 175.377 176.300 0.267 0.000 1.498 251 D CA -0.188 53.935 54.000 0.205 0.000 0.759 251 D CB -0.013 40.918 40.800 0.219 0.000 1.251 251 D HN 0.106 nan 8.370 nan 0.000 0.504 252 D N -0.212 120.217 120.400 0.049 0.000 2.351 252 D HA -0.003 4.637 4.640 -0.000 0.000 0.251 252 D C 1.180 177.315 176.300 -0.276 0.000 1.137 252 D CA -0.440 53.536 54.000 -0.040 0.000 0.879 252 D CB 0.411 41.121 40.800 -0.149 0.000 1.181 252 D HN 0.174 nan 8.370 nan 0.000 0.448 253 F N 3.018 122.732 119.950 -0.392 0.000 2.699 253 F HA 0.187 4.714 4.527 0.000 0.000 0.298 253 F C 1.177 176.620 175.800 -0.594 0.000 1.154 253 F CA 0.634 58.280 58.000 -0.590 0.000 1.457 253 F CB -0.231 38.522 39.000 -0.412 0.000 1.106 253 F HN 0.287 nan 8.300 nan 0.000 0.585 254 A N -1.137 121.124 122.820 -0.931 0.000 2.430 254 A HA 0.244 4.564 4.320 -0.000 0.000 0.243 254 A C 0.101 177.499 177.584 -0.310 0.000 1.254 254 A CA -0.302 51.289 52.037 -0.743 0.000 0.914 254 A CB -1.266 17.441 19.000 -0.488 0.000 0.998 254 A HN 0.453 nan 8.150 nan 0.000 0.515 255 Y N -2.243 117.901 120.300 -0.259 0.000 3.054 255 Y HA -0.343 4.207 4.550 -0.000 0.000 0.210 255 Y C 1.501 177.201 175.900 -0.333 0.000 1.212 255 Y CA 0.371 58.301 58.100 -0.283 0.000 1.118 255 Y CB -2.154 36.103 38.460 -0.338 0.000 1.292 255 Y HN 0.414 nan 8.280 nan 0.000 0.533 256 A N -1.681 121.047 122.820 -0.153 0.000 2.220 256 A HA 0.139 4.459 4.320 -0.000 0.000 0.211 256 A C 1.206 178.720 177.584 -0.118 0.000 1.176 256 A CA 0.479 52.453 52.037 -0.105 0.000 0.834 256 A CB 0.060 18.991 19.000 -0.115 0.000 0.868 256 A HN 0.350 nan 8.150 nan 0.000 0.488 257 T N 0.809 115.265 114.554 -0.163 0.000 2.940 257 T HA 0.373 4.723 4.350 -0.000 0.000 0.309 257 T C 0.074 174.718 174.700 -0.093 0.000 1.056 257 T CA 0.550 62.538 62.100 -0.185 0.000 1.137 257 T CB 0.461 69.144 68.868 -0.308 0.000 0.976 257 T HN 0.498 nan 8.240 nan 0.000 0.547 258 R N 0.810 121.271 120.500 -0.065 0.000 2.707 258 R HA 0.295 4.635 4.340 -0.000 0.000 0.272 258 R C -1.020 175.308 176.300 0.048 0.000 1.011 258 R CA -0.716 55.400 56.100 0.026 0.000 0.893 258 R CB 1.530 31.859 30.300 0.048 0.000 1.233 258 R HN 0.715 nan 8.270 nan 0.000 0.464 259 E N 1.217 121.475 120.200 0.096 0.000 2.324 259 E HA 0.283 4.633 4.350 -0.000 0.000 0.271 259 E C 0.191 176.843 176.600 0.088 0.000 1.028 259 E CA 1.261 57.725 56.400 0.107 0.000 0.890 259 E CB 0.542 30.305 29.700 0.105 0.000 1.004 259 E HN 0.798 nan 8.360 nan 0.000 0.431 260 G N 3.786 112.641 108.800 0.091 0.000 2.195 260 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.224 260 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.224 260 G C 0.623 175.615 174.900 0.154 0.000 0.990 260 G CA 0.221 45.390 45.100 0.115 0.000 0.639 260 G HN 0.544 nan 8.290 nan 0.000 0.514 261 L N 0.789 122.048 121.223 0.061 0.000 2.664 261 L HA 0.322 4.662 4.340 -0.000 0.000 0.233 261 L C 0.756 177.533 176.870 -0.154 0.000 1.113 261 L CA -0.026 54.781 54.840 -0.055 0.000 0.896 261 L CB 0.834 42.847 42.059 -0.077 0.000 1.163 261 L HN 0.088 nan 8.230 nan 0.000 0.497 262 V N 1.542 121.413 119.914 -0.071 0.000 2.432 262 V HA 0.220 4.340 4.120 -0.000 0.000 0.271 262 V C 0.186 176.250 176.094 -0.049 0.000 1.046 262 V CA -0.243 62.005 62.300 -0.085 0.000 0.945 262 V CB 1.607 33.406 31.823 -0.041 0.000 0.992 262 V HN -0.129 nan 8.190 nan 0.000 0.471 263 V N 3.928 123.791 119.914 -0.084 0.000 2.628 263 V HA 0.426 4.546 4.120 -0.000 0.000 0.306 263 V C -0.293 175.786 176.094 -0.024 0.000 1.045 263 V CA -0.873 61.403 62.300 -0.040 0.000 0.905 263 V CB 2.225 34.002 31.823 -0.077 0.000 0.997 263 V HN 0.782 nan 8.190 nan 0.000 0.436 264 D N 3.123 123.524 120.400 0.002 0.000 2.277 264 D HA 0.442 5.082 4.640 -0.000 0.000 0.249 264 D C 0.056 176.353 176.300 -0.006 0.000 1.134 264 D CA 0.095 54.093 54.000 -0.004 0.000 0.863 264 D CB 2.010 42.810 40.800 0.001 0.000 1.143 264 D HN 0.708 nan 8.370 nan 0.000 0.458 265 A N 3.230 126.041 122.820 -0.016 0.000 2.343 265 A HA 0.323 4.643 4.320 -0.000 0.000 0.305 265 A C 0.183 177.739 177.584 -0.047 0.000 1.308 265 A CA -0.583 51.447 52.037 -0.011 0.000 0.949 265 A CB 0.279 19.279 19.000 0.001 0.000 1.148 265 A HN 0.380 nan 8.150 nan 0.000 0.545 266 V N 4.093 123.961 119.914 -0.077 0.000 2.488 266 V HA 0.124 4.244 4.120 -0.000 0.000 0.277 266 V C 0.198 176.077 176.094 -0.359 0.000 1.046 266 V CA -0.300 61.874 62.300 -0.211 0.000 0.986 266 V CB 0.979 32.654 31.823 -0.247 0.000 0.989 266 V HN 0.815 nan 8.190 nan 0.000 0.475 267 E N 4.442 124.437 120.200 -0.342 0.000 2.130 267 E HA 0.303 4.653 4.350 -0.000 0.000 0.284 267 E C -0.520 175.777 176.600 -0.504 0.000 1.018 267 E CA -0.342 55.867 56.400 -0.318 0.000 0.817 267 E CB 0.667 30.278 29.700 -0.150 0.000 1.078 267 E HN 0.558 nan 8.360 nan 0.000 0.396 268 H N 1.586 120.393 119.070 -0.438 0.000 2.488 268 H HA 0.192 4.748 4.556 -0.000 0.000 0.322 268 H C 0.529 175.669 175.328 -0.313 0.000 1.078 268 H CA -0.146 55.617 56.048 -0.475 0.000 1.260 268 H CB 1.777 30.978 29.762 -0.935 0.000 1.425 268 H HN 0.412 nan 8.280 nan 0.000 0.471 269 T N 1.371 115.914 114.554 -0.018 0.000 2.986 269 T HA -0.031 4.319 4.350 -0.000 0.000 0.264 269 T C 0.165 174.902 174.700 0.061 0.000 0.964 269 T CA -0.260 61.854 62.100 0.024 0.000 0.895 269 T CB 0.130 69.002 68.868 0.007 0.000 1.163 269 T HN 0.579 nan 8.240 nan 0.000 0.517 270 D N 1.880 122.324 120.400 0.073 0.000 2.425 270 D HA 0.162 4.802 4.640 -0.000 0.000 0.247 270 D C -1.579 174.775 176.300 0.090 0.000 1.147 270 D CA -1.649 52.395 54.000 0.073 0.000 0.879 270 D CB 1.639 42.482 40.800 0.071 0.000 1.179 270 D HN 0.062 nan 8.370 nan 0.000 0.456 271 P HA -0.148 nan 4.420 nan 0.000 0.218 271 P C 0.784 178.122 177.300 0.063 0.000 1.148 271 P CA 0.885 64.026 63.100 0.068 0.000 0.822 271 P CB 0.218 31.947 31.700 0.047 0.000 0.784 272 E N -0.592 119.640 120.200 0.053 0.000 2.106 272 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 272 E C 2.019 178.646 176.600 0.045 0.000 0.984 272 E CA 1.339 57.762 56.400 0.038 0.000 0.806 272 E CB -0.782 28.935 29.700 0.029 0.000 0.750 272 E HN 0.210 nan 8.360 nan 0.000 0.458 273 A N 1.069 123.936 122.820 0.078 0.000 1.930 273 A HA -0.025 4.295 4.320 -0.000 0.000 0.215 273 A C 2.278 179.983 177.584 0.201 0.000 1.176 273 A CA 0.512 52.609 52.037 0.101 0.000 0.632 273 A CB -0.476 18.567 19.000 0.070 0.000 0.819 273 A HN 0.135 nan 8.150 nan 0.000 0.445 274 I N -0.398 120.327 120.570 0.260 0.000 2.361 274 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 274 I C 2.496 178.627 176.117 0.023 0.000 1.133 274 I CA 1.774 63.212 61.300 0.229 0.000 1.413 274 I CB -0.179 37.951 38.000 0.217 0.000 1.073 274 I HN 0.393 nan 8.210 nan 0.000 0.424 275 K N 1.436 121.847 120.400 0.020 0.000 2.067 275 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 275 K C 2.268 178.834 176.600 -0.056 0.000 1.048 275 K CA 1.098 57.373 56.287 -0.021 0.000 0.954 275 K CB -0.071 32.425 32.500 -0.006 0.000 0.737 275 K HN 0.199 nan 8.250 nan 0.000 0.444 276 A N 1.539 124.331 122.820 -0.047 0.000 2.024 276 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 276 A C 1.366 178.877 177.584 -0.122 0.000 1.164 276 A CA 1.548 53.542 52.037 -0.071 0.000 0.643 276 A CB -0.366 18.603 19.000 -0.052 0.000 0.806 276 A HN 0.404 nan 8.150 nan 0.000 0.451 277 N N 0.233 118.828 118.700 -0.174 0.000 2.235 277 N HA 0.041 4.781 4.740 -0.000 0.000 0.209 277 N C -0.787 174.552 175.510 -0.284 0.000 1.122 277 N CA 0.314 53.191 53.050 -0.288 0.000 0.845 277 N CB 0.165 38.327 38.487 -0.543 0.000 1.004 277 N HN 0.336 nan 8.380 nan 0.000 0.499 278 D N 0.700 120.984 120.400 -0.194 0.000 2.689 278 D HA -0.139 4.501 4.640 -0.000 0.000 0.237 278 D C -0.487 175.720 176.300 -0.155 0.000 1.148 278 D CA 0.590 54.499 54.000 -0.152 0.000 0.656 278 D CB -0.984 39.727 40.800 -0.149 0.000 1.050 278 D HN 0.027 nan 8.370 nan 0.000 0.426 279 V N 0.210 120.016 119.914 -0.180 0.000 2.881 279 V HA 0.209 4.329 4.120 -0.000 0.000 0.316 279 V C 1.123 177.192 176.094 -0.041 0.000 1.070 279 V CA -0.545 61.667 62.300 -0.146 0.000 0.976 279 V CB 2.086 33.739 31.823 -0.284 0.000 1.038 279 V HN -0.119 nan 8.190 nan 0.000 0.446 280 E N 1.499 121.697 120.200 -0.002 0.000 2.476 280 E HA 0.426 4.776 4.350 -0.000 0.000 0.191 280 E C 0.598 177.234 176.600 0.060 0.000 1.064 280 E CA 0.759 57.174 56.400 0.026 0.000 0.866 280 E CB 0.291 30.006 29.700 0.026 0.000 0.952 280 E HN 0.907 nan 8.360 nan 0.000 0.492 281 G N 0.178 109.037 108.800 0.099 0.000 2.367 281 G HA2 0.091 4.051 3.960 -0.000 0.000 0.272 281 G HA3 0.091 4.051 3.960 -0.000 0.000 0.272 281 G C -2.843 172.206 174.900 0.248 0.000 1.271 281 G CA -0.988 44.197 45.100 0.143 0.000 0.893 281 G HN -0.130 nan 8.290 nan 0.000 0.485 282 P HA 0.402 nan 4.420 nan 0.000 0.264 282 P C -1.049 176.418 177.300 0.278 0.000 1.193 282 P CA 0.565 63.799 63.100 0.223 0.000 0.763 282 P CB 0.196 31.997 31.700 0.167 0.000 0.810 283 F N 0.503 120.491 119.950 0.063 0.000 2.664 283 F HA 0.824 5.351 4.527 -0.000 0.000 0.317 283 F C -1.449 174.352 175.800 0.002 0.000 1.108 283 F CA -1.791 56.143 58.000 -0.110 0.000 0.957 283 F CB 0.846 39.814 39.000 -0.053 0.000 1.365 283 F HN 0.416 nan 8.300 nan 0.000 0.475 284 A N 0.707 123.509 122.820 -0.030 0.000 2.320 284 A HA 0.698 5.018 4.320 -0.000 0.000 0.334 284 A C -1.118 176.602 177.584 0.227 0.000 1.147 284 A CA -0.575 51.471 52.037 0.015 0.000 0.820 284 A CB 1.365 20.417 19.000 0.087 0.000 1.218 284 A HN 0.925 nan 8.150 nan 0.000 0.482 285 E N 1.475 121.785 120.200 0.182 0.000 2.272 285 E HA 0.663 5.013 4.350 -0.000 0.000 0.269 285 E C -1.621 175.076 176.600 0.162 0.000 0.877 285 E CA -0.470 56.118 56.400 0.313 0.000 0.755 285 E CB 1.354 31.377 29.700 0.538 0.000 1.192 285 E HN 0.677 nan 8.360 nan 0.000 0.422 286 M N 3.301 122.976 119.600 0.125 0.000 2.327 286 M HA 0.377 4.857 4.480 -0.000 0.000 0.298 286 M C -1.325 174.940 176.300 -0.059 0.000 1.065 286 M CA -1.019 54.310 55.300 0.049 0.000 0.916 286 M CB 2.318 34.950 32.600 0.052 0.000 1.630 286 M HN 0.217 nan 8.290 nan 0.000 0.442 287 V N 3.295 123.169 119.914 -0.068 0.000 2.417 287 V HA 0.584 4.704 4.120 -0.000 0.000 0.291 287 V C -1.359 174.804 176.094 0.114 0.000 1.024 287 V CA -0.527 61.664 62.300 -0.182 0.000 0.861 287 V CB 1.776 33.507 31.823 -0.154 0.000 0.985 287 V HN 0.703 nan 8.190 nan 0.000 0.436 288 F N 3.741 123.668 119.950 -0.039 0.000 2.730 288 F HA 0.542 5.069 4.527 0.000 0.000 0.335 288 F C -0.644 175.224 175.800 0.115 0.000 1.212 288 F CA -0.830 57.194 58.000 0.041 0.000 1.016 288 F CB 1.407 40.430 39.000 0.039 0.000 1.290 288 F HN 0.497 nan 8.300 nan 0.000 0.495 289 D N 5.875 126.066 120.400 -0.349 0.000 2.193 289 D HA 0.598 5.238 4.640 -0.000 0.000 0.249 289 D C -0.914 175.078 176.300 -0.513 0.000 1.034 289 D CA -0.080 53.807 54.000 -0.188 0.000 0.902 289 D CB 2.355 43.252 40.800 0.162 0.000 1.182 289 D HN 0.328 nan 8.370 nan 0.000 0.436 290 L N 0.994 122.090 121.223 -0.211 0.000 2.386 290 L HA 0.393 4.733 4.340 -0.000 0.000 0.271 290 L C 0.023 176.920 176.870 0.046 0.000 0.993 290 L CA -0.679 54.034 54.840 -0.211 0.000 0.819 290 L CB 1.822 43.763 42.059 -0.197 0.000 1.294 290 L HN 0.130 nan 8.230 nan 0.000 0.414 291 K N 3.169 123.593 120.400 0.040 0.000 2.307 291 K HA 0.693 5.013 4.320 -0.000 0.000 0.263 291 K C -1.105 175.538 176.600 0.072 0.000 0.973 291 K CA -0.496 55.854 56.287 0.105 0.000 0.846 291 K CB 0.928 33.458 32.500 0.050 0.000 1.100 291 K HN 0.557 nan 8.250 nan 0.000 0.438 292 L N 2.608 123.879 121.223 0.080 0.000 2.421 292 L HA 0.406 4.746 4.340 -0.000 0.000 0.263 292 L C 0.555 177.545 176.870 0.200 0.000 1.122 292 L CA -0.802 54.102 54.840 0.106 0.000 0.804 292 L CB 1.443 43.512 42.059 0.017 0.000 1.150 292 L HN 0.750 nan 8.230 nan 0.000 0.457 293 T N -1.462 113.211 114.554 0.197 0.000 2.888 293 T HA 0.463 4.813 4.350 -0.000 0.000 0.284 293 T C -0.253 174.522 174.700 0.124 0.000 1.017 293 T CA -0.954 61.233 62.100 0.145 0.000 1.022 293 T CB 2.043 70.956 68.868 0.073 0.000 1.013 293 T HN 0.547 nan 8.240 nan 0.000 0.465 294 R N 1.436 121.927 120.500 -0.015 0.000 2.615 294 R HA 0.470 4.810 4.340 -0.000 0.000 0.270 294 R C 0.098 176.338 176.300 -0.101 0.000 1.081 294 R CA -0.728 55.251 56.100 -0.201 0.000 1.154 294 R CB 0.313 30.482 30.300 -0.219 0.000 1.063 294 R HN 0.676 nan 8.270 nan 0.000 0.519 295 L N 1.994 123.146 121.223 -0.119 0.000 2.482 295 L HA 0.068 4.408 4.340 -0.000 0.000 0.273 295 L C -0.178 176.662 176.870 -0.051 0.000 1.228 295 L CA -0.270 54.534 54.840 -0.060 0.000 0.827 295 L CB 0.626 42.651 42.059 -0.056 0.000 1.099 295 L HN 0.372 nan 8.230 nan 0.000 0.494 296 V N 1.703 121.598 119.914 -0.032 0.000 2.288 296 V HA 0.121 4.241 4.120 -0.000 0.000 0.266 296 V C -0.228 175.851 176.094 -0.024 0.000 1.048 296 V CA -0.302 61.982 62.300 -0.026 0.000 0.842 296 V CB 0.434 32.246 31.823 -0.018 0.000 1.064 296 V HN 0.848 nan 8.190 nan 0.000 0.472 297 D N 4.386 124.771 120.400 -0.027 0.000 2.746 297 D HA -0.194 4.446 4.640 -0.000 0.000 0.236 297 D C 1.306 177.593 176.300 -0.022 0.000 1.129 297 D CA 1.439 55.425 54.000 -0.022 0.000 0.691 297 D CB -1.069 39.721 40.800 -0.017 0.000 1.077 297 D HN 1.263 nan 8.370 nan 0.000 0.432 298 G N -2.180 106.604 108.800 -0.027 0.000 2.179 298 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 298 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 298 G C 0.310 175.197 174.900 -0.021 0.000 0.977 298 G CA 0.371 45.456 45.100 -0.024 0.000 0.641 298 G HN 0.633 nan 8.290 nan 0.000 0.533 299 V N 0.546 120.447 119.914 -0.021 0.000 2.628 299 V HA 0.618 4.738 4.120 -0.000 0.000 0.306 299 V C -0.488 175.595 176.094 -0.017 0.000 1.045 299 V CA -0.884 61.406 62.300 -0.017 0.000 0.905 299 V CB 2.039 33.853 31.823 -0.015 0.000 0.997 299 V HN 0.232 nan 8.190 nan 0.000 0.436 300 D N 2.643 123.033 120.400 -0.015 0.000 2.467 300 D HA 0.137 4.777 4.640 -0.000 0.000 0.220 300 D C 1.009 177.301 176.300 -0.014 0.000 1.103 300 D CA -0.316 53.677 54.000 -0.013 0.000 0.886 300 D CB 0.524 41.315 40.800 -0.015 0.000 1.025 300 D HN 0.782 nan 8.370 nan 0.000 0.514 301 N N 1.983 120.676 118.700 -0.012 0.000 2.521 301 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 301 N C 0.719 176.223 175.510 -0.011 0.000 1.146 301 N CA 0.307 53.350 53.050 -0.012 0.000 0.893 301 N CB 0.189 38.669 38.487 -0.012 0.000 0.975 301 N HN 0.232 nan 8.380 nan 0.000 0.451 302 Q N -0.868 118.927 119.800 -0.009 0.000 2.113 302 Q HA 0.263 4.603 4.340 -0.000 0.000 0.225 302 Q C -0.048 175.948 176.000 -0.007 0.000 0.786 302 Q CA -0.426 55.374 55.803 -0.006 0.000 0.989 302 Q CB 0.032 28.771 28.738 0.001 0.000 1.174 302 Q HN 0.138 nan 8.270 nan 0.000 0.470 303 V N 1.621 121.523 119.914 -0.020 0.000 2.655 303 V HA 0.278 4.398 4.120 -0.000 0.000 0.300 303 V C -0.358 175.718 176.094 -0.030 0.000 1.044 303 V CA -0.271 62.005 62.300 -0.040 0.000 1.095 303 V CB 1.065 32.851 31.823 -0.060 0.000 0.952 303 V HN 0.217 nan 8.190 nan 0.000 0.485 304 V N 6.453 126.350 119.914 -0.029 0.000 2.398 304 V HA 0.375 4.495 4.120 -0.000 0.000 0.286 304 V C -0.105 175.981 176.094 -0.013 0.000 1.026 304 V CA -0.614 61.683 62.300 -0.005 0.000 0.868 304 V CB 1.661 33.502 31.823 0.030 0.000 0.982 304 V HN 0.944 nan 8.190 nan 0.000 0.443 305 D N 5.832 126.229 120.400 -0.004 0.000 2.412 305 D HA 0.428 5.068 4.640 -0.000 0.000 0.224 305 D C -0.102 176.208 176.300 0.017 0.000 1.093 305 D CA -0.396 53.604 54.000 -0.001 0.000 0.850 305 D CB 0.625 41.423 40.800 -0.003 0.000 1.046 305 D HN 0.723 nan 8.370 nan 0.000 0.507 306 R N 1.810 122.328 120.500 0.031 0.000 2.774 306 R HA 0.687 5.027 4.340 -0.000 0.000 0.272 306 R C -2.878 173.452 176.300 0.049 0.000 1.000 306 R CA -1.903 54.221 56.100 0.040 0.000 0.906 306 R CB 0.374 30.706 30.300 0.054 0.000 1.227 306 R HN 0.015 nan 8.270 nan 0.000 0.468 307 P HA 0.082 nan 4.420 nan 0.000 0.262 307 P C -1.100 176.238 177.300 0.063 0.000 1.199 307 P CA 0.017 63.142 63.100 0.043 0.000 0.763 307 P CB 0.469 32.188 31.700 0.031 0.000 0.790 308 R N 2.551 123.095 120.500 0.073 0.000 2.575 308 R HA 0.386 4.726 4.340 -0.000 0.000 0.293 308 R C -0.804 175.519 176.300 0.038 0.000 0.983 308 R CA -1.347 54.812 56.100 0.098 0.000 0.887 308 R CB 1.589 32.019 30.300 0.217 0.000 1.184 308 R HN 0.317 nan 8.270 nan 0.000 0.445 309 L N 2.531 123.754 121.223 0.000 0.000 2.559 309 L HA 0.199 4.539 4.340 -0.000 0.000 0.274 309 L C -0.572 176.219 176.870 -0.131 0.000 1.205 309 L CA 0.763 55.562 54.840 -0.069 0.000 0.907 309 L CB 0.543 42.541 42.059 -0.102 0.000 1.153 309 L HN 0.803 nan 8.230 nan 0.000 0.490 310 A N 5.629 128.396 122.820 -0.088 0.000 2.335 310 A HA 0.764 5.084 4.320 -0.000 0.000 0.304 310 A C -0.873 176.694 177.584 -0.028 0.000 1.118 310 A CA -0.525 51.477 52.037 -0.058 0.000 0.757 310 A CB 1.203 20.197 19.000 -0.010 0.000 1.188 310 A HN 0.579 nan 8.150 nan 0.000 0.460 311 V N 0.000 119.938 119.914 0.040 0.000 2.409 311 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 311 V CA 0.000 62.374 62.300 0.124 0.000 1.235 311 V CB 0.000 31.866 31.823 0.073 0.000 1.184 311 V HN 0.000 nan 8.190 nan 0.000 0.556