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 1jal_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGFKCGIVGL PNVGKSTLFN ALTKAGXXXX XXPFCTIEPN TGVVPMPDPR DATA SEQUENCE LDALAEIVKP ERILPTTMEF VDIAGLVAGA SKGEGLGNKF LANIRETDAI DATA SEQUENCE GHVVRCFENX XXXXXXXXID PLDDIDTINT ELALADLDSC ERAIQRLQKR DATA SEQUENCE AKGGDKEAKF ELSVMEKILP VLENAGMIRS VGLDKEELQA IKSYNFLTLK DATA SEQUENCE PTMYIANVNE DGFENNPYLD RVREIAAKEG AVVVPVCAAI ESEIAELDDE DATA SEQUENCE EKVEFLQDLG IEEPGLNRVI RAGYALLNLQ TYFTAGVKEV RAWTVSVGAT DATA SEQUENCE APKAAAVIHT DFEKGFIRAE VIAYEDFIQF NGENGAKEAG KWRLEGKDYI DATA SEQUENCE VQDGDVMHFR FNV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.272 176.300 -0.046 0.000 1.140 1 M CA 0.000 55.229 55.300 -0.119 0.000 0.988 1 M CB 0.000 32.512 32.600 -0.147 0.000 1.302 2 G N -1.352 107.431 108.800 -0.028 0.000 2.310 2 G HA2 0.262 4.221 3.960 -0.001 0.000 0.185 2 G HA3 0.262 4.221 3.960 -0.001 0.000 0.185 2 G C 0.300 175.308 174.900 0.181 0.000 1.460 2 G CA 0.497 45.629 45.100 0.055 0.000 0.660 2 G HN 0.230 nan 8.290 nan 0.000 1.081 3 F N 0.485 120.393 119.950 -0.069 0.000 2.103 3 F HA -0.088 4.438 4.527 -0.001 0.000 0.316 3 F C 0.011 175.756 175.800 -0.091 0.000 0.596 3 F CA 0.217 58.172 58.000 -0.076 0.000 1.984 3 F CB -1.157 37.817 39.000 -0.044 0.000 2.577 3 F HN 0.067 nan 8.300 nan 0.000 0.266 4 K N 0.684 121.145 120.400 0.101 0.000 2.274 4 K HA 0.606 4.925 4.320 -0.001 0.000 0.262 4 K C -0.685 175.895 176.600 -0.034 0.000 0.961 4 K CA -0.467 55.837 56.287 0.028 0.000 0.833 4 K CB 2.162 34.683 32.500 0.035 0.000 1.102 4 K HN 0.144 nan 8.250 nan 0.000 0.436 5 C N 2.892 122.136 119.300 -0.092 0.000 2.303 5 C HA 0.623 5.082 4.460 -0.001 0.000 0.326 5 C C 0.590 175.656 174.990 0.127 0.000 1.285 5 C CA -0.295 58.706 59.018 -0.029 0.000 1.675 5 C CB -0.332 27.335 27.740 -0.122 0.000 2.289 5 C HN 0.947 nan 8.230 nan 0.000 0.512 6 G N 6.845 115.708 108.800 0.105 0.000 2.338 6 G HA2 0.533 4.492 3.960 -0.001 0.000 0.298 6 G HA3 0.533 4.492 3.960 -0.001 0.000 0.298 6 G C -0.410 174.586 174.900 0.159 0.000 1.140 6 G CA -0.380 44.788 45.100 0.115 0.000 0.860 6 G HN 0.725 nan 8.290 nan 0.000 0.470 7 I N 3.105 123.799 120.570 0.208 0.000 2.325 7 I HA 0.237 4.406 4.170 -0.001 0.000 0.291 7 I C 0.701 176.871 176.117 0.087 0.000 1.019 7 I CA -0.472 60.943 61.300 0.190 0.000 1.302 7 I CB 0.570 38.737 38.000 0.278 0.000 1.401 7 I HN 0.284 nan 8.210 nan 0.000 0.485 8 V N 3.258 123.211 119.914 0.064 0.000 3.019 8 V HA 1.135 5.255 4.120 -0.001 0.000 0.317 8 V C -0.046 176.075 176.094 0.045 0.000 1.094 8 V CA -0.571 61.754 62.300 0.042 0.000 1.000 8 V CB 1.893 33.701 31.823 -0.024 0.000 1.060 8 V HN 0.957 nan 8.190 nan 0.000 0.443 9 G N 0.903 109.739 108.800 0.059 0.000 2.404 9 G HA2 0.418 4.377 3.960 -0.001 0.000 0.298 9 G HA3 0.418 4.377 3.960 -0.001 0.000 0.298 9 G C -1.356 173.563 174.900 0.032 0.000 1.577 9 G CA -1.024 44.114 45.100 0.065 0.000 0.847 9 G HN 0.910 nan 8.290 nan 0.000 0.598 10 L N 1.118 122.357 121.223 0.026 0.000 2.482 10 L HA 0.134 4.474 4.340 -0.001 0.000 0.273 10 L C -0.893 175.970 176.870 -0.012 0.000 1.228 10 L CA -1.071 53.762 54.840 -0.012 0.000 0.827 10 L CB 1.118 43.172 42.059 -0.007 0.000 1.099 10 L HN 0.390 nan 8.230 nan 0.000 0.494 11 P HA -0.114 nan 4.420 nan 0.000 0.220 11 P C 0.269 177.567 177.300 -0.003 0.000 1.148 11 P CA 1.242 64.331 63.100 -0.019 0.000 0.803 11 P CB 0.167 31.850 31.700 -0.029 0.000 0.782 12 N N -0.542 118.154 118.700 -0.006 0.000 2.818 12 N HA 0.205 4.944 4.740 -0.001 0.000 0.301 12 N C -0.354 175.164 175.510 0.013 0.000 1.821 12 N CA -0.032 53.023 53.050 0.010 0.000 0.930 12 N CB 0.672 39.164 38.487 0.008 0.000 1.263 12 N HN -0.190 nan 8.380 nan 0.000 0.487 13 V N 0.242 120.172 119.914 0.026 0.000 3.392 13 V HA 0.322 4.441 4.120 -0.001 0.000 0.294 13 V C 1.053 177.194 176.094 0.078 0.000 1.561 13 V CA 0.790 63.093 62.300 0.006 0.000 1.056 13 V CB 0.511 32.324 31.823 -0.017 0.000 0.882 13 V HN 0.643 nan 8.190 nan 0.000 0.440 14 G N 1.401 110.259 108.800 0.097 0.000 2.176 14 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.232 14 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.232 14 G C 0.963 175.916 174.900 0.087 0.000 0.986 14 G CA 0.815 45.980 45.100 0.107 0.000 0.643 14 G HN 0.595 nan 8.290 nan 0.000 0.522 15 K N 1.375 121.823 120.400 0.080 0.000 2.113 15 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 15 K C 2.665 179.329 176.600 0.107 0.000 1.047 15 K CA 2.673 59.015 56.287 0.091 0.000 0.928 15 K CB -0.339 32.206 32.500 0.076 0.000 0.716 15 K HN 0.734 nan 8.250 nan 0.000 0.446 16 S N -0.363 115.387 115.700 0.083 0.000 2.371 16 S HA -0.092 4.377 4.470 -0.001 0.000 0.224 16 S C 1.930 176.586 174.600 0.093 0.000 1.029 16 S CA 1.352 59.603 58.200 0.085 0.000 0.978 16 S CB -0.672 62.560 63.200 0.054 0.000 0.833 16 S HN 0.405 nan 8.310 nan 0.000 0.466 17 T N 2.361 116.956 114.554 0.069 0.000 2.867 17 T HA 0.131 4.480 4.350 -0.001 0.000 0.268 17 T C 1.664 176.387 174.700 0.038 0.000 1.057 17 T CA 1.063 63.191 62.100 0.047 0.000 1.136 17 T CB -0.380 68.510 68.868 0.036 0.000 0.874 17 T HN 0.254 nan 8.240 nan 0.000 0.466 18 L N -0.529 120.726 121.223 0.053 0.000 2.127 18 L HA 0.262 4.602 4.340 -0.001 0.000 0.203 18 L C 1.976 178.840 176.870 -0.010 0.000 1.080 18 L CA 0.955 55.803 54.840 0.014 0.000 0.768 18 L CB -0.187 41.892 42.059 0.034 0.000 0.924 18 L HN 0.156 nan 8.230 nan 0.000 0.444 19 F N 0.208 120.126 119.950 -0.054 0.000 2.661 19 F HA -0.080 4.447 4.527 -0.001 0.000 0.298 19 F C 2.052 177.828 175.800 -0.040 0.000 1.137 19 F CA 1.136 59.100 58.000 -0.060 0.000 1.454 19 F CB -0.157 38.825 39.000 -0.029 0.000 1.103 19 F HN 0.323 nan 8.300 nan 0.000 0.577 20 N N 0.320 119.081 118.700 0.101 0.000 2.305 20 N HA -0.032 4.708 4.740 -0.001 0.000 0.179 20 N C 2.007 177.492 175.510 -0.041 0.000 1.019 20 N CA 1.250 54.330 53.050 0.050 0.000 0.869 20 N CB -0.525 38.001 38.487 0.065 0.000 1.000 20 N HN 0.052 nan 8.380 nan 0.000 0.431 21 A N 1.277 124.063 122.820 -0.057 0.000 1.909 21 A HA -0.216 4.103 4.320 -0.001 0.000 0.221 21 A C 2.255 179.750 177.584 -0.147 0.000 1.223 21 A CA 1.893 53.873 52.037 -0.095 0.000 0.658 21 A CB -1.397 17.548 19.000 -0.091 0.000 0.831 21 A HN 0.429 nan 8.150 nan 0.000 0.462 22 L N -1.341 119.735 121.223 -0.246 0.000 2.265 22 L HA -0.128 4.211 4.340 -0.001 0.000 0.215 22 L C 2.543 179.245 176.870 -0.280 0.000 1.117 22 L CA 1.619 56.249 54.840 -0.351 0.000 0.782 22 L CB -0.319 41.336 42.059 -0.673 0.000 0.914 22 L HN 0.441 nan 8.230 nan 0.000 0.441 23 T N -2.156 112.270 114.554 -0.214 0.000 3.021 23 T HA -0.018 4.331 4.350 -0.001 0.000 0.245 23 T C 1.764 176.432 174.700 -0.054 0.000 1.028 23 T CA -0.081 61.954 62.100 -0.109 0.000 1.139 23 T CB 0.198 69.061 68.868 -0.008 0.000 0.884 23 T HN -0.017 nan 8.240 nan 0.000 0.457 24 K N 2.530 122.902 120.400 -0.047 0.000 2.007 24 K HA -0.128 4.192 4.320 -0.001 0.000 0.231 24 K C 1.629 178.201 176.600 -0.046 0.000 1.044 24 K CA 1.877 58.140 56.287 -0.041 0.000 0.996 24 K CB -1.131 31.339 32.500 -0.050 0.000 0.738 24 K HN 0.396 nan 8.250 nan 0.000 0.447 25 A N 1.255 124.038 122.820 -0.062 0.000 2.916 25 A HA 0.402 4.722 4.320 -0.001 0.000 0.254 25 A C 0.644 178.198 177.584 -0.051 0.000 1.544 25 A CA 0.510 52.514 52.037 -0.055 0.000 1.224 25 A CB -0.790 18.172 19.000 -0.063 0.000 1.012 25 A HN 0.323 nan 8.150 nan 0.000 0.636 34 F N 0.064 120.002 119.950 -0.019 0.000 2.640 34 F HA 0.552 5.079 4.527 -0.001 0.000 0.354 34 F C 0.541 176.328 175.800 -0.023 0.000 1.213 34 F CA -0.281 57.709 58.000 -0.016 0.000 1.314 34 F CB -1.205 37.791 39.000 -0.007 0.000 1.679 34 F HN 1.082 nan 8.300 nan 0.000 0.622 35 C N 1.671 120.952 119.300 -0.031 0.000 2.397 35 C HA 0.894 5.354 4.460 -0.001 0.000 0.325 35 C C 0.701 175.669 174.990 -0.036 0.000 1.201 35 C CA 0.150 59.144 59.018 -0.039 0.000 1.377 35 C CB 0.541 28.245 27.740 -0.059 0.000 2.038 35 C HN 1.232 nan 8.230 nan 0.000 0.457 36 T N 2.191 116.726 114.554 -0.031 0.000 2.929 36 T HA 0.758 5.108 4.350 -0.001 0.000 0.331 36 T C 0.048 174.728 174.700 -0.033 0.000 1.120 36 T CA 0.440 62.523 62.100 -0.028 0.000 0.973 36 T CB -0.309 68.548 68.868 -0.019 0.000 1.036 36 T HN 2.226 nan 8.240 nan 0.000 0.502 37 I N 1.644 122.189 120.570 -0.040 0.000 2.312 37 I HA 0.878 5.047 4.170 -0.001 0.000 0.291 37 I C 0.532 176.629 176.117 -0.034 0.000 1.031 37 I CA -0.387 60.885 61.300 -0.046 0.000 1.293 37 I CB -0.153 37.810 38.000 -0.062 0.000 1.403 37 I HN 0.882 nan 8.210 nan 0.000 0.484 38 E N 4.303 124.486 120.200 -0.029 0.000 3.729 38 E HA 0.640 4.989 4.350 -0.001 0.000 0.195 38 E C -1.307 175.283 176.600 -0.016 0.000 1.005 38 E CA 0.222 56.611 56.400 -0.019 0.000 1.356 38 E CB 0.234 29.925 29.700 -0.014 0.000 1.138 38 E HN 1.486 nan 8.360 nan 0.000 0.450 39 P HA 0.686 nan 4.420 nan 0.000 0.256 39 P C -0.191 177.105 177.300 -0.007 0.000 1.750 39 P CA 0.791 63.882 63.100 -0.015 0.000 1.171 39 P CB -0.289 31.397 31.700 -0.024 0.000 1.975 40 N N 0.167 118.871 118.700 0.006 0.000 2.699 40 N HA 0.337 5.076 4.740 -0.001 0.000 0.317 40 N C 0.948 176.492 175.510 0.056 0.000 1.661 40 N CA 0.663 53.724 53.050 0.017 0.000 0.979 40 N CB 0.046 38.534 38.487 0.001 0.000 1.329 40 N HN 0.360 nan 8.380 nan 0.000 0.497 41 T N -2.948 111.651 114.554 0.076 0.000 3.745 41 T HA 0.390 4.739 4.350 -0.001 0.000 0.253 41 T C 1.296 176.142 174.700 0.243 0.000 1.088 41 T CA 0.727 62.908 62.100 0.135 0.000 0.969 41 T CB -0.948 67.978 68.868 0.097 0.000 1.075 41 T HN 1.290 nan 8.240 nan 0.000 0.608 42 G N -0.563 108.348 108.800 0.185 0.000 2.456 42 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.208 42 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.208 42 G C -0.262 174.713 174.900 0.124 0.000 1.004 42 G CA -0.381 44.836 45.100 0.196 0.000 0.791 42 G HN 0.542 nan 8.290 nan 0.000 0.537 43 V N 2.126 122.075 119.914 0.059 0.000 2.432 43 V HA 0.614 4.733 4.120 -0.001 0.000 0.271 43 V C 0.819 176.915 176.094 0.003 0.000 1.046 43 V CA 0.030 62.337 62.300 0.012 0.000 0.945 43 V CB 1.199 32.997 31.823 -0.042 0.000 0.992 43 V HN 0.944 nan 8.190 nan 0.000 0.471 44 V N 4.535 124.463 119.914 0.024 0.000 3.046 44 V HA 0.788 4.908 4.120 -0.001 0.000 0.316 44 V C -2.709 173.376 176.094 -0.015 0.000 1.104 44 V CA -2.757 59.546 62.300 0.005 0.000 1.006 44 V CB 2.249 34.085 31.823 0.022 0.000 1.058 44 V HN 0.640 nan 8.190 nan 0.000 0.440 45 P HA 0.226 nan 4.420 nan 0.000 0.276 45 P C -0.367 176.899 177.300 -0.056 0.000 1.235 45 P CA -0.250 62.817 63.100 -0.054 0.000 0.772 45 P CB 0.606 32.274 31.700 -0.054 0.000 0.871 46 M N 5.354 124.895 119.600 -0.098 0.000 2.269 46 M HA 0.119 4.598 4.480 -0.001 0.000 0.350 46 M C -2.000 174.239 176.300 -0.102 0.000 1.429 46 M CA -1.444 53.764 55.300 -0.154 0.000 1.063 46 M CB -0.165 32.233 32.600 -0.336 0.000 1.841 46 M HN 0.184 nan 8.290 nan 0.000 0.455 47 P HA 0.266 nan 4.420 nan 0.000 0.292 47 P C -1.143 176.132 177.300 -0.041 0.000 1.326 47 P CA -0.139 62.934 63.100 -0.044 0.000 0.787 47 P CB 0.724 32.407 31.700 -0.028 0.000 0.903 48 D N 5.125 125.511 120.400 -0.024 0.000 2.386 48 D HA 0.172 4.811 4.640 -0.001 0.000 0.247 48 D C -1.786 174.517 176.300 0.004 0.000 1.336 48 D CA -2.074 51.925 54.000 -0.001 0.000 0.976 48 D CB 1.760 42.578 40.800 0.031 0.000 1.257 48 D HN 0.081 nan 8.370 nan 0.000 0.570 49 P HA -0.080 nan 4.420 nan 0.000 0.226 49 P C 1.061 178.357 177.300 -0.007 0.000 1.153 49 P CA 0.380 63.480 63.100 -0.001 0.000 0.777 49 P CB 0.582 32.288 31.700 0.009 0.000 0.794 50 R N -0.219 120.259 120.500 -0.037 0.000 2.139 50 R HA -0.106 4.233 4.340 -0.001 0.000 0.243 50 R C 2.554 178.722 176.300 -0.221 0.000 1.145 50 R CA 1.096 57.125 56.100 -0.119 0.000 0.976 50 R CB -1.236 28.837 30.300 -0.379 0.000 0.866 50 R HN 0.236 nan 8.270 nan 0.000 0.449 51 L N 0.545 121.666 121.223 -0.170 0.000 1.970 51 L HA -0.246 4.094 4.340 -0.001 0.000 0.212 51 L C 1.787 178.596 176.870 -0.102 0.000 1.071 51 L CA 1.441 56.182 54.840 -0.165 0.000 0.751 51 L CB -0.468 41.567 42.059 -0.039 0.000 0.889 51 L HN 0.223 nan 8.230 nan 0.000 0.432 52 D N -0.052 120.320 120.400 -0.048 0.000 2.144 52 D HA -0.159 4.480 4.640 -0.001 0.000 0.199 52 D C 2.182 178.476 176.300 -0.010 0.000 0.984 52 D CA 1.441 55.427 54.000 -0.023 0.000 0.834 52 D CB -0.131 40.663 40.800 -0.010 0.000 0.955 52 D HN 0.355 nan 8.370 nan 0.000 0.465 53 A N 1.114 123.934 122.820 0.001 0.000 1.865 53 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 53 A C 2.435 180.036 177.584 0.029 0.000 1.191 53 A CA 1.114 53.168 52.037 0.029 0.000 0.623 53 A CB -0.926 18.126 19.000 0.087 0.000 0.826 53 A HN 0.188 nan 8.150 nan 0.000 0.444 54 L N -0.715 120.501 121.223 -0.012 0.000 2.012 54 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 54 L C 3.115 180.005 176.870 0.033 0.000 1.073 54 L CA 1.182 56.015 54.840 -0.011 0.000 0.748 54 L CB -0.616 41.302 42.059 -0.235 0.000 0.891 54 L HN 0.438 nan 8.230 nan 0.000 0.431 55 A N -0.537 122.278 122.820 -0.008 0.000 1.917 55 A HA -0.244 4.076 4.320 -0.001 0.000 0.219 55 A C 2.263 179.864 177.584 0.029 0.000 1.182 55 A CA 1.760 53.804 52.037 0.012 0.000 0.633 55 A CB -0.438 18.560 19.000 -0.003 0.000 0.819 55 A HN 0.364 nan 8.150 nan 0.000 0.448 56 E N -0.247 119.968 120.200 0.025 0.000 2.110 56 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 56 E C 1.938 178.554 176.600 0.027 0.000 0.988 56 E CA 1.061 57.473 56.400 0.020 0.000 0.804 56 E CB -0.290 29.418 29.700 0.013 0.000 0.745 56 E HN 0.753 nan 8.360 nan 0.000 0.458 57 I N -0.206 120.395 120.570 0.052 0.000 2.286 57 I HA -0.187 3.983 4.170 -0.001 0.000 0.245 57 I C 2.235 178.386 176.117 0.057 0.000 1.104 57 I CA 0.587 61.914 61.300 0.045 0.000 1.397 57 I CB 0.086 38.132 38.000 0.076 0.000 1.072 57 I HN -0.081 nan 8.210 nan 0.000 0.417 58 V N -0.787 119.188 119.914 0.102 0.000 2.825 58 V HA 0.022 4.141 4.120 -0.001 0.000 0.246 58 V C 0.630 176.761 176.094 0.061 0.000 1.068 58 V CA 0.335 62.702 62.300 0.112 0.000 1.088 58 V CB -0.251 31.674 31.823 0.170 0.000 0.733 58 V HN 0.350 nan 8.190 nan 0.000 0.468 59 K N -0.421 120.006 120.400 0.046 0.000 3.239 59 K HA -0.124 4.196 4.320 -0.001 0.000 0.270 59 K C -2.383 174.236 176.600 0.031 0.000 1.049 59 K CA 0.358 56.662 56.287 0.029 0.000 0.769 59 K CB -2.212 30.301 32.500 0.020 0.000 1.305 59 K HN 0.467 nan 8.250 nan 0.000 0.469 60 P HA 0.194 nan 4.420 nan 0.000 0.276 60 P C 0.640 177.956 177.300 0.026 0.000 1.244 60 P CA -0.265 62.856 63.100 0.036 0.000 0.801 60 P CB 0.803 32.526 31.700 0.039 0.000 1.006 61 E N 0.166 120.382 120.200 0.027 0.000 2.204 61 E HA -0.068 4.281 4.350 -0.001 0.000 0.194 61 E C 0.712 177.323 176.600 0.017 0.000 0.989 61 E CA 0.976 57.389 56.400 0.021 0.000 0.824 61 E CB 0.190 29.905 29.700 0.024 0.000 0.756 61 E HN 0.341 nan 8.360 nan 0.000 0.477 62 R N -0.379 120.133 120.500 0.019 0.000 2.774 62 R HA 0.571 4.910 4.340 -0.001 0.000 0.272 62 R C -1.286 175.018 176.300 0.007 0.000 1.000 62 R CA -0.684 55.423 56.100 0.010 0.000 0.906 62 R CB 1.815 32.121 30.300 0.010 0.000 1.227 62 R HN -0.107 nan 8.270 nan 0.000 0.468 63 I N 2.617 123.183 120.570 -0.007 0.000 2.534 63 I HA 0.351 4.520 4.170 -0.001 0.000 0.288 63 I C -1.133 174.964 176.117 -0.034 0.000 1.077 63 I CA -0.513 60.779 61.300 -0.014 0.000 1.051 63 I CB 2.053 40.044 38.000 -0.015 0.000 1.234 63 I HN 0.288 nan 8.210 nan 0.000 0.425 64 L N 8.424 129.615 121.223 -0.054 0.000 2.442 64 L HA 0.464 4.804 4.340 -0.001 0.000 0.261 64 L C -2.363 174.432 176.870 -0.124 0.000 1.000 64 L CA -1.504 53.274 54.840 -0.103 0.000 0.882 64 L CB 1.459 43.426 42.059 -0.154 0.000 1.207 64 L HN 0.275 nan 8.230 nan 0.000 0.443 65 P HA 0.141 nan 4.420 nan 0.000 0.275 65 P C -0.161 177.050 177.300 -0.148 0.000 1.266 65 P CA -0.191 62.855 63.100 -0.091 0.000 0.793 65 P CB 1.278 32.935 31.700 -0.071 0.000 1.074 66 T N -1.037 113.430 114.554 -0.145 0.000 2.880 66 T HA 0.524 4.874 4.350 -0.001 0.000 0.279 66 T C -0.209 174.440 174.700 -0.085 0.000 0.990 66 T CA -0.187 61.840 62.100 -0.122 0.000 0.938 66 T CB 0.193 69.024 68.868 -0.063 0.000 1.206 66 T HN 0.656 nan 8.240 nan 0.000 0.573 67 T N -0.045 114.497 114.554 -0.021 0.000 2.916 67 T HA 0.731 5.081 4.350 -0.001 0.000 0.292 67 T C -0.915 173.907 174.700 0.203 0.000 1.064 67 T CA -0.993 61.084 62.100 -0.039 0.000 1.011 67 T CB 1.614 70.368 68.868 -0.191 0.000 1.152 67 T HN 0.516 nan 8.240 nan 0.000 0.510 68 M N 1.607 121.299 119.600 0.153 0.000 2.263 68 M HA 0.525 5.004 4.480 -0.001 0.000 0.295 68 M C -1.136 175.201 176.300 0.062 0.000 1.028 68 M CA -0.708 54.764 55.300 0.287 0.000 0.921 68 M CB 1.862 34.557 32.600 0.158 0.000 1.601 68 M HN 0.888 nan 8.290 nan 0.000 0.440 69 E N 3.534 123.760 120.200 0.044 0.000 2.151 69 E HA 0.518 4.867 4.350 -0.001 0.000 0.275 69 E C -1.726 174.792 176.600 -0.135 0.000 0.936 69 E CA -0.332 56.059 56.400 -0.015 0.000 0.777 69 E CB 0.927 30.624 29.700 -0.005 0.000 1.108 69 E HN 0.641 nan 8.360 nan 0.000 0.401 70 F N 2.557 122.577 119.950 0.117 0.000 2.507 70 F HA 0.512 5.038 4.527 -0.001 0.000 0.327 70 F C -0.425 175.558 175.800 0.304 0.000 1.068 70 F CA -0.716 57.389 58.000 0.175 0.000 0.965 70 F CB 1.969 41.021 39.000 0.087 0.000 1.192 70 F HN 0.151 nan 8.300 nan 0.000 0.476 71 V N 1.348 121.590 119.914 0.547 0.000 2.612 71 V HA 0.200 4.319 4.120 -0.001 0.000 0.301 71 V C -1.266 174.903 176.094 0.124 0.000 1.059 71 V CA -0.954 61.541 62.300 0.324 0.000 0.886 71 V CB 1.798 33.700 31.823 0.132 0.000 1.007 71 V HN 0.626 nan 8.190 nan 0.000 0.426 72 D N 4.830 124.997 120.400 -0.388 0.000 2.374 72 D HA 0.217 4.857 4.640 -0.001 0.000 0.240 72 D C 0.024 176.131 176.300 -0.321 0.000 1.229 72 D CA -0.314 53.227 54.000 -0.765 0.000 0.895 72 D CB 0.547 40.249 40.800 -1.831 0.000 1.046 72 D HN 0.218 nan 8.370 nan 0.000 0.498 73 I N 3.729 124.205 120.570 -0.155 0.000 2.576 73 I HA 0.118 4.287 4.170 -0.001 0.000 0.288 73 I C 1.008 177.107 176.117 -0.030 0.000 1.126 73 I CA -0.633 60.610 61.300 -0.096 0.000 1.362 73 I CB -0.887 37.042 38.000 -0.119 0.000 1.419 73 I HN 0.408 nan 8.210 nan 0.000 0.533 74 A N 5.037 127.834 122.820 -0.038 0.000 2.483 74 A HA 0.599 4.918 4.320 -0.001 0.000 0.238 74 A C 0.849 178.497 177.584 0.107 0.000 1.070 74 A CA 0.668 52.711 52.037 0.010 0.000 0.770 74 A CB -0.016 18.975 19.000 -0.015 0.000 1.008 74 A HN 1.247 nan 8.150 nan 0.000 0.497 75 G N -0.610 108.251 108.800 0.102 0.000 2.479 75 G HA2 0.389 4.348 3.960 -0.001 0.000 0.686 75 G HA3 0.389 4.348 3.960 -0.001 0.000 0.686 75 G C -0.897 174.047 174.900 0.072 0.000 1.295 75 G CA -0.262 44.905 45.100 0.112 0.000 0.922 75 G HN 2.115 nan 8.290 nan 0.000 0.582 76 L N 0.055 121.268 121.223 -0.017 0.000 2.360 76 L HA 0.826 5.166 4.340 -0.001 0.000 0.271 76 L C 1.006 177.667 176.870 -0.348 0.000 1.057 76 L CA -0.063 54.693 54.840 -0.140 0.000 0.803 76 L CB 1.940 43.946 42.059 -0.088 0.000 1.207 76 L HN 0.726 nan 8.230 nan 0.000 0.445 77 V N 3.092 122.736 119.914 -0.449 0.000 2.795 77 V HA 0.072 4.191 4.120 -0.001 0.000 0.243 77 V C 2.217 178.086 176.094 -0.376 0.000 1.069 77 V CA 1.298 63.169 62.300 -0.715 0.000 1.089 77 V CB -0.333 31.127 31.823 -0.605 0.000 0.756 77 V HN 0.996 nan 8.190 nan 0.000 0.471 78 A N 0.620 123.307 122.820 -0.222 0.000 1.940 78 A HA -0.019 4.300 4.320 -0.001 0.000 0.219 78 A C 1.790 179.316 177.584 -0.096 0.000 1.176 78 A CA 1.956 53.914 52.037 -0.133 0.000 0.631 78 A CB -0.606 18.339 19.000 -0.091 0.000 0.814 78 A HN 0.650 nan 8.150 nan 0.000 0.446 79 G N -2.117 106.631 108.800 -0.087 0.000 4.956 79 G HA2 0.479 4.438 3.960 -0.001 0.000 0.290 79 G HA3 0.479 4.438 3.960 -0.001 0.000 0.290 79 G C 0.716 175.595 174.900 -0.034 0.000 1.352 79 G CA 0.717 45.788 45.100 -0.048 0.000 0.983 79 G HN 0.575 nan 8.290 nan 0.000 0.581 80 A N 0.392 123.181 122.820 -0.052 0.000 1.978 80 A HA -0.039 4.281 4.320 -0.001 0.000 0.220 80 A C 2.554 180.178 177.584 0.066 0.000 1.170 80 A CA 2.410 54.460 52.037 0.022 0.000 0.636 80 A CB -0.291 18.775 19.000 0.110 0.000 0.810 80 A HN 0.597 nan 8.150 nan 0.000 0.448 81 S N -0.397 115.335 115.700 0.053 0.000 2.335 81 S HA -0.184 4.285 4.470 -0.001 0.000 0.216 81 S C 2.208 176.833 174.600 0.041 0.000 1.032 81 S CA 1.703 59.939 58.200 0.060 0.000 1.000 81 S CB -0.376 62.856 63.200 0.054 0.000 0.928 81 S HN 0.637 nan 8.310 nan 0.000 0.434 82 K N 0.488 120.903 120.400 0.025 0.000 2.044 82 K HA -0.125 4.195 4.320 -0.001 0.000 0.210 82 K C 2.033 178.645 176.600 0.019 0.000 1.049 82 K CA 1.792 58.090 56.287 0.018 0.000 0.927 82 K CB -1.126 31.379 32.500 0.009 0.000 0.713 82 K HN 0.455 nan 8.250 nan 0.000 0.443 83 G N 1.152 109.963 108.800 0.017 0.000 2.537 83 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.220 83 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.220 83 G C 1.277 176.192 174.900 0.026 0.000 1.111 83 G CA 1.019 46.129 45.100 0.016 0.000 0.748 83 G HN 0.685 nan 8.290 nan 0.000 0.564 84 E N 0.173 120.394 120.200 0.035 0.000 2.112 84 E HA 0.036 4.385 4.350 -0.001 0.000 0.190 84 E C 2.581 179.197 176.600 0.027 0.000 0.979 84 E CA 0.678 57.101 56.400 0.039 0.000 0.814 84 E CB -0.517 29.212 29.700 0.047 0.000 0.762 84 E HN 0.257 nan 8.360 nan 0.000 0.460 85 G N 0.852 109.666 108.800 0.023 0.000 2.527 85 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.219 85 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.219 85 G C 1.332 176.240 174.900 0.013 0.000 1.117 85 G CA 0.455 45.565 45.100 0.017 0.000 0.759 85 G HN 0.257 nan 8.290 nan 0.000 0.556 86 L N -0.712 120.519 121.223 0.014 0.000 2.640 86 L HA 0.317 4.656 4.340 -0.001 0.000 0.230 86 L C 1.890 178.767 176.870 0.011 0.000 1.123 86 L CA 0.474 55.320 54.840 0.010 0.000 0.900 86 L CB 0.431 42.495 42.059 0.008 0.000 1.146 86 L HN 0.339 nan 8.230 nan 0.000 0.484 87 G N 0.134 108.943 108.800 0.015 0.000 2.179 87 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.220 87 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.220 87 G C 0.209 175.122 174.900 0.022 0.000 0.990 87 G CA -0.128 44.982 45.100 0.016 0.000 0.646 87 G HN 0.333 nan 8.290 nan 0.000 0.517 88 N N 0.977 119.693 118.700 0.028 0.000 2.411 88 N HA 0.173 4.913 4.740 -0.001 0.000 0.261 88 N C 1.256 176.805 175.510 0.066 0.000 1.248 88 N CA 0.458 53.535 53.050 0.045 0.000 0.885 88 N CB 0.520 39.035 38.487 0.048 0.000 1.062 88 N HN 0.364 nan 8.380 nan 0.000 0.471 89 K N 3.584 124.029 120.400 0.076 0.000 2.358 89 K HA 0.006 4.326 4.320 -0.001 0.000 0.200 89 K C 1.143 177.799 176.600 0.092 0.000 1.030 89 K CA -0.369 55.956 56.287 0.063 0.000 1.097 89 K CB -0.025 32.493 32.500 0.030 0.000 0.862 89 K HN 0.464 nan 8.250 nan 0.000 0.534 90 F N 2.927 122.867 119.950 -0.017 0.000 2.037 90 F HA -0.347 4.180 4.527 -0.001 0.000 0.296 90 F C 1.841 177.633 175.800 -0.013 0.000 1.132 90 F CA 1.873 59.861 58.000 -0.020 0.000 1.211 90 F CB -0.508 38.481 39.000 -0.019 0.000 0.951 90 F HN -0.102 nan 8.300 nan 0.000 0.503 91 L N -0.528 120.726 121.223 0.052 0.000 2.046 91 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 91 L C 2.736 179.555 176.870 -0.085 0.000 1.077 91 L CA 1.285 56.091 54.840 -0.058 0.000 0.747 91 L CB -1.304 40.799 42.059 0.074 0.000 0.896 91 L HN 0.317 nan 8.230 nan 0.000 0.432 92 A N 0.044 122.842 122.820 -0.037 0.000 1.969 92 A HA -0.168 4.151 4.320 -0.001 0.000 0.218 92 A C 2.054 179.598 177.584 -0.067 0.000 1.169 92 A CA 1.504 53.518 52.037 -0.039 0.000 0.635 92 A CB -0.458 18.533 19.000 -0.015 0.000 0.810 92 A HN 0.422 nan 8.150 nan 0.000 0.445 93 N N 0.631 119.276 118.700 -0.092 0.000 2.039 93 N HA -0.129 4.611 4.740 -0.001 0.000 0.193 93 N C 1.686 177.110 175.510 -0.144 0.000 1.044 93 N CA 1.743 54.728 53.050 -0.108 0.000 0.847 93 N CB -0.596 37.826 38.487 -0.109 0.000 1.030 93 N HN 0.564 nan 8.380 nan 0.000 0.422 94 I N 1.312 121.734 120.570 -0.247 0.000 2.181 94 I HA -0.319 3.850 4.170 -0.001 0.000 0.247 94 I C 2.231 178.276 176.117 -0.121 0.000 1.081 94 I CA 1.240 62.404 61.300 -0.228 0.000 1.340 94 I CB -0.362 37.420 38.000 -0.363 0.000 1.036 94 I HN 0.119 nan 8.210 nan 0.000 0.417 95 R N 1.025 121.469 120.500 -0.095 0.000 2.139 95 R HA -0.199 4.140 4.340 -0.001 0.000 0.243 95 R C 1.680 177.952 176.300 -0.047 0.000 1.145 95 R CA 1.652 57.719 56.100 -0.055 0.000 0.976 95 R CB -0.367 29.907 30.300 -0.043 0.000 0.866 95 R HN 0.577 nan 8.270 nan 0.000 0.449 96 E N 0.073 120.244 120.200 -0.049 0.000 2.502 96 E HA -0.024 4.326 4.350 -0.001 0.000 0.194 96 E C 0.574 177.160 176.600 -0.024 0.000 1.062 96 E CA 0.519 56.899 56.400 -0.033 0.000 0.867 96 E CB 0.331 30.014 29.700 -0.028 0.000 0.888 96 E HN 0.278 nan 8.360 nan 0.000 0.510 97 T N -2.570 111.965 114.554 -0.031 0.000 2.938 97 T HA 0.244 4.593 4.350 -0.001 0.000 0.285 97 T C 0.142 174.830 174.700 -0.021 0.000 1.028 97 T CA -0.869 61.219 62.100 -0.019 0.000 1.005 97 T CB 1.790 70.648 68.868 -0.016 0.000 1.157 97 T HN -0.233 nan 8.240 nan 0.000 0.550 98 D N -0.164 120.223 120.400 -0.021 0.000 2.454 98 D HA 0.462 5.102 4.640 -0.001 0.000 0.214 98 D C 0.626 176.906 176.300 -0.034 0.000 1.088 98 D CA 0.237 54.220 54.000 -0.029 0.000 0.855 98 D CB 1.155 41.932 40.800 -0.038 0.000 1.025 98 D HN 0.823 nan 8.370 nan 0.000 0.502 99 A N 0.163 122.966 122.820 -0.029 0.000 2.536 99 A HA 0.690 5.010 4.320 -0.001 0.000 0.293 99 A C -1.809 175.774 177.584 -0.001 0.000 1.119 99 A CA -0.569 51.455 52.037 -0.022 0.000 0.654 99 A CB 1.025 20.003 19.000 -0.036 0.000 1.291 99 A HN -0.007 nan 8.150 nan 0.000 0.439 100 I N 0.759 121.334 120.570 0.008 0.000 2.468 100 I HA 0.509 4.678 4.170 -0.001 0.000 0.285 100 I C 0.362 176.516 176.117 0.063 0.000 1.039 100 I CA -0.450 60.865 61.300 0.026 0.000 1.074 100 I CB 2.153 40.154 38.000 0.002 0.000 1.228 100 I HN 0.798 nan 8.210 nan 0.000 0.436 101 G N 3.927 112.804 108.800 0.129 0.000 2.347 101 G HA2 0.307 4.266 3.960 -0.001 0.000 0.314 101 G HA3 0.307 4.266 3.960 -0.001 0.000 0.314 101 G C -1.053 173.959 174.900 0.187 0.000 1.126 101 G CA -0.228 44.973 45.100 0.168 0.000 0.929 101 G HN 0.746 nan 8.290 nan 0.000 0.441 102 H N 2.992 122.106 119.070 0.074 0.000 2.661 102 H HA 0.415 4.970 4.556 -0.001 0.000 0.290 102 H C -0.302 175.124 175.328 0.164 0.000 1.082 102 H CA -0.816 55.304 56.048 0.119 0.000 1.234 102 H CB 0.929 30.758 29.762 0.111 0.000 1.387 102 H HN 0.258 nan 8.280 nan 0.000 0.476 103 V N 6.286 126.428 119.914 0.381 0.000 2.572 103 V HA 0.059 4.179 4.120 -0.001 0.000 0.291 103 V C -0.017 176.226 176.094 0.248 0.000 1.039 103 V CA -0.252 62.200 62.300 0.252 0.000 1.055 103 V CB 1.052 32.969 31.823 0.158 0.000 0.969 103 V HN 0.487 nan 8.190 nan 0.000 0.482 104 V N 5.849 125.833 119.914 0.118 0.000 2.483 104 V HA 0.396 4.515 4.120 -0.001 0.000 0.297 104 V C 0.327 176.360 176.094 -0.102 0.000 1.027 104 V CA -0.865 61.440 62.300 0.007 0.000 0.855 104 V CB 1.708 33.488 31.823 -0.071 0.000 0.995 104 V HN 0.851 nan 8.190 nan 0.000 0.424 105 R N 2.942 123.317 120.500 -0.207 0.000 2.399 105 R HA 0.131 4.471 4.340 -0.001 0.000 0.324 105 R C 0.034 175.970 176.300 -0.607 0.000 1.030 105 R CA 0.075 55.871 56.100 -0.505 0.000 0.984 105 R CB 0.168 30.099 30.300 -0.614 0.000 0.961 105 R HN 0.814 nan 8.270 nan 0.000 0.433 106 C N 6.614 125.562 119.300 -0.587 0.000 2.647 106 C HA 0.323 4.783 4.460 -0.001 0.000 0.296 106 C C -0.798 173.999 174.990 -0.323 0.000 1.403 106 C CA -0.636 58.190 59.018 -0.320 0.000 1.781 106 C CB -1.368 26.324 27.740 -0.081 0.000 2.464 106 C HN 0.739 nan 8.230 nan 0.000 0.559 107 F N -0.987 118.655 119.950 -0.512 0.000 2.691 107 F HA 0.738 5.265 4.527 -0.001 0.000 0.334 107 F C 0.066 175.389 175.800 -0.795 0.000 1.107 107 F CA -1.438 56.220 58.000 -0.569 0.000 0.991 107 F CB 0.247 39.094 39.000 -0.254 0.000 1.400 107 F HN -0.179 nan 8.300 nan 0.000 0.503 108 E N 0.262 120.357 120.200 -0.175 0.000 2.620 108 E HA 0.294 4.643 4.350 -0.001 0.000 0.255 108 E C -0.290 176.324 176.600 0.023 0.000 1.346 108 E CA -0.002 56.345 56.400 -0.089 0.000 1.013 108 E CB 0.341 30.117 29.700 0.126 0.000 1.131 108 E HN 0.784 nan 8.360 nan 0.000 0.608 120 D N 7.497 127.905 120.400 0.014 0.000 3.061 120 D HA -0.036 4.604 4.640 -0.001 0.000 0.226 120 D C -1.132 175.169 176.300 0.002 0.000 1.168 120 D CA -0.546 53.450 54.000 -0.008 0.000 0.822 120 D CB 1.149 41.932 40.800 -0.028 0.000 1.152 120 D HN 0.305 nan 8.370 nan 0.000 0.555 121 P HA -0.221 nan 4.420 nan 0.000 0.218 121 P C 1.637 178.894 177.300 -0.071 0.000 1.152 121 P CA 0.565 63.646 63.100 -0.031 0.000 0.857 121 P CB 0.141 31.811 31.700 -0.049 0.000 0.787 122 L N 0.033 121.212 121.223 -0.072 0.000 2.043 122 L HA -0.215 4.125 4.340 -0.001 0.000 0.212 122 L C 1.592 178.444 176.870 -0.030 0.000 1.075 122 L CA 2.056 56.856 54.840 -0.066 0.000 0.752 122 L CB -1.352 40.674 42.059 -0.055 0.000 0.891 122 L HN -0.083 nan 8.230 nan 0.000 0.432 123 D N -0.520 119.868 120.400 -0.020 0.000 2.149 123 D HA -0.192 4.447 4.640 -0.001 0.000 0.198 123 D C 1.791 178.093 176.300 0.003 0.000 0.990 123 D CA 1.521 55.516 54.000 -0.007 0.000 0.839 123 D CB -0.236 40.560 40.800 -0.007 0.000 0.948 123 D HN 0.423 nan 8.370 nan 0.000 0.460 124 D N -0.044 120.355 120.400 -0.003 0.000 2.103 124 D HA -0.013 4.627 4.640 -0.001 0.000 0.199 124 D C 2.241 178.585 176.300 0.073 0.000 0.978 124 D CA 0.326 54.336 54.000 0.017 0.000 0.829 124 D CB -0.196 40.601 40.800 -0.006 0.000 0.981 124 D HN 0.201 nan 8.370 nan 0.000 0.464 125 I N 0.794 121.391 120.570 0.044 0.000 2.226 125 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 125 I C 1.613 177.830 176.117 0.168 0.000 1.100 125 I CA 1.005 62.367 61.300 0.103 0.000 1.374 125 I CB -0.070 37.879 38.000 -0.084 0.000 1.057 125 I HN -0.094 nan 8.210 nan 0.000 0.413 126 D N 0.350 120.797 120.400 0.079 0.000 2.182 126 D HA -0.149 4.491 4.640 -0.001 0.000 0.201 126 D C 2.182 178.521 176.300 0.065 0.000 0.986 126 D CA 1.299 55.340 54.000 0.067 0.000 0.847 126 D CB -0.232 40.586 40.800 0.030 0.000 0.942 126 D HN 0.254 nan 8.370 nan 0.000 0.467 127 T N 0.530 115.117 114.554 0.056 0.000 2.684 127 T HA -0.102 4.248 4.350 -0.001 0.000 0.267 127 T C 2.155 176.871 174.700 0.027 0.000 1.036 127 T CA 0.681 62.796 62.100 0.025 0.000 1.148 127 T CB -0.129 68.741 68.868 0.003 0.000 0.863 127 T HN 0.189 nan 8.240 nan 0.000 0.436 128 I N 1.010 121.623 120.570 0.071 0.000 2.353 128 I HA -0.096 4.074 4.170 -0.001 0.000 0.248 128 I C 2.186 178.381 176.117 0.131 0.000 1.119 128 I CA 1.116 62.466 61.300 0.083 0.000 1.417 128 I CB -0.349 37.699 38.000 0.080 0.000 1.078 128 I HN 0.320 nan 8.210 nan 0.000 0.421 129 N N -0.281 118.507 118.700 0.146 0.000 2.396 129 N HA -0.112 4.627 4.740 -0.001 0.000 0.180 129 N C 1.603 177.164 175.510 0.085 0.000 1.028 129 N CA 1.012 54.140 53.050 0.130 0.000 0.893 129 N CB 0.103 38.674 38.487 0.140 0.000 0.967 129 N HN 0.245 nan 8.380 nan 0.000 0.440 130 T N 1.119 115.713 114.554 0.067 0.000 2.708 130 T HA -0.094 4.255 4.350 -0.001 0.000 0.266 130 T C 1.565 176.294 174.700 0.048 0.000 1.037 130 T CA 1.037 63.163 62.100 0.043 0.000 1.146 130 T CB -0.040 68.844 68.868 0.027 0.000 0.865 130 T HN 0.215 nan 8.240 nan 0.000 0.435 131 E N 1.136 121.373 120.200 0.062 0.000 2.072 131 E HA 0.033 4.382 4.350 -0.001 0.000 0.190 131 E C 2.391 179.059 176.600 0.113 0.000 0.982 131 E CA 0.585 57.032 56.400 0.079 0.000 0.803 131 E CB -0.458 29.285 29.700 0.072 0.000 0.755 131 E HN 0.474 nan 8.360 nan 0.000 0.453 132 L N 0.560 121.863 121.223 0.132 0.000 2.042 132 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 132 L C 2.569 179.482 176.870 0.072 0.000 1.076 132 L CA 1.377 56.283 54.840 0.110 0.000 0.749 132 L CB -0.727 41.393 42.059 0.101 0.000 0.893 132 L HN 0.056 nan 8.230 nan 0.000 0.432 133 A N -0.244 122.606 122.820 0.050 0.000 1.930 133 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 133 A C 2.203 179.795 177.584 0.012 0.000 1.175 133 A CA 1.163 53.207 52.037 0.013 0.000 0.627 133 A CB -0.435 18.567 19.000 0.003 0.000 0.815 133 A HN 0.238 nan 8.150 nan 0.000 0.443 134 L N -0.389 120.852 121.223 0.031 0.000 2.027 134 L HA -0.084 4.256 4.340 -0.001 0.000 0.206 134 L C 2.962 179.858 176.870 0.045 0.000 1.074 134 L CA 1.970 56.828 54.840 0.029 0.000 0.745 134 L CB -1.493 40.585 42.059 0.031 0.000 0.898 134 L HN 0.414 nan 8.230 nan 0.000 0.433 135 A N -0.802 122.058 122.820 0.067 0.000 1.902 135 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 135 A C 2.025 179.678 177.584 0.115 0.000 1.181 135 A CA 1.897 53.986 52.037 0.087 0.000 0.623 135 A CB -0.569 18.491 19.000 0.099 0.000 0.818 135 A HN 0.400 nan 8.150 nan 0.000 0.443 136 D N -0.589 119.875 120.400 0.107 0.000 2.117 136 D HA -0.105 4.534 4.640 -0.001 0.000 0.198 136 D C 1.843 178.176 176.300 0.054 0.000 0.982 136 D CA 1.076 55.159 54.000 0.138 0.000 0.828 136 D CB -0.432 40.345 40.800 -0.039 0.000 0.967 136 D HN 0.296 nan 8.370 nan 0.000 0.464 137 L N 1.278 122.495 121.223 -0.008 0.000 2.021 137 L HA -0.240 4.100 4.340 -0.001 0.000 0.215 137 L C 1.705 178.588 176.870 0.022 0.000 1.074 137 L CA 2.019 56.848 54.840 -0.019 0.000 0.760 137 L CB -0.845 41.202 42.059 -0.019 0.000 0.889 137 L HN -0.057 nan 8.230 nan 0.000 0.433 138 D N -1.586 118.843 120.400 0.048 0.000 2.117 138 D HA -0.175 4.464 4.640 -0.001 0.000 0.197 138 D C 2.146 178.496 176.300 0.084 0.000 0.987 138 D CA 1.483 55.517 54.000 0.056 0.000 0.829 138 D CB -0.007 40.827 40.800 0.057 0.000 0.961 138 D HN 0.406 nan 8.370 nan 0.000 0.460 139 S N -1.018 114.766 115.700 0.140 0.000 2.359 139 S HA -0.213 4.256 4.470 -0.001 0.000 0.224 139 S C 2.213 176.916 174.600 0.172 0.000 1.035 139 S CA 1.151 59.468 58.200 0.195 0.000 1.018 139 S CB -0.682 62.715 63.200 0.328 0.000 0.876 139 S HN 0.598 nan 8.310 nan 0.000 0.448 140 C N 1.944 121.341 119.300 0.162 0.000 2.446 140 C HA -0.036 4.424 4.460 -0.001 0.000 0.277 140 C C 2.444 177.436 174.990 0.003 0.000 1.275 140 C CA 0.883 59.932 59.018 0.051 0.000 1.727 140 C CB -1.356 26.337 27.740 -0.079 0.000 2.010 140 C HN 0.602 nan 8.230 nan 0.000 0.486 141 E N -0.108 120.100 120.200 0.013 0.000 2.072 141 E HA -0.174 4.175 4.350 -0.001 0.000 0.191 141 E C 2.438 179.049 176.600 0.019 0.000 0.985 141 E CA 1.103 57.507 56.400 0.006 0.000 0.801 141 E CB -0.161 29.544 29.700 0.009 0.000 0.750 141 E HN 0.610 nan 8.360 nan 0.000 0.452 142 R N 0.561 121.084 120.500 0.039 0.000 2.073 142 R HA -0.089 4.251 4.340 -0.001 0.000 0.234 142 R C 2.396 178.729 176.300 0.055 0.000 1.134 142 R CA 1.191 57.319 56.100 0.047 0.000 0.952 142 R CB -0.331 30.006 30.300 0.061 0.000 0.850 142 R HN 0.105 nan 8.270 nan 0.000 0.433 143 A N 1.140 124.000 122.820 0.066 0.000 1.908 143 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 143 A C 2.154 179.755 177.584 0.029 0.000 1.181 143 A CA 1.412 53.491 52.037 0.070 0.000 0.627 143 A CB -0.590 18.396 19.000 -0.022 0.000 0.818 143 A HN 0.228 nan 8.150 nan 0.000 0.445 144 I N -0.515 120.056 120.570 0.001 0.000 2.226 144 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 144 I C 2.654 178.775 176.117 0.007 0.000 1.100 144 I CA 1.204 62.499 61.300 -0.008 0.000 1.374 144 I CB -0.277 37.711 38.000 -0.021 0.000 1.057 144 I HN 0.350 nan 8.210 nan 0.000 0.413 145 Q N 0.690 120.499 119.800 0.014 0.000 2.124 145 Q HA -0.178 4.162 4.340 -0.001 0.000 0.202 145 Q C 2.275 178.288 176.000 0.022 0.000 0.977 145 Q CA 1.503 57.316 55.803 0.016 0.000 0.850 145 Q CB -0.285 28.463 28.738 0.017 0.000 0.901 145 Q HN 0.599 nan 8.270 nan 0.000 0.429 146 R N -0.150 120.369 120.500 0.033 0.000 2.093 146 R HA 0.076 4.416 4.340 -0.001 0.000 0.224 146 R C 2.439 178.761 176.300 0.037 0.000 1.101 146 R CA 0.611 56.734 56.100 0.037 0.000 0.979 146 R CB -0.253 30.077 30.300 0.050 0.000 0.877 146 R HN 0.169 nan 8.270 nan 0.000 0.441 147 L N 0.809 122.056 121.223 0.041 0.000 2.179 147 L HA -0.075 4.264 4.340 -0.001 0.000 0.208 147 L C 2.596 179.482 176.870 0.027 0.000 1.096 147 L CA 0.993 55.858 54.840 0.041 0.000 0.779 147 L CB -0.343 41.740 42.059 0.040 0.000 0.922 147 L HN 0.208 nan 8.230 nan 0.000 0.443 148 Q N 0.616 120.427 119.800 0.018 0.000 2.077 148 Q HA -0.287 4.053 4.340 -0.001 0.000 0.206 148 Q C 2.224 178.234 176.000 0.016 0.000 0.989 148 Q CA 2.329 58.140 55.803 0.013 0.000 0.853 148 Q CB -0.056 28.687 28.738 0.008 0.000 0.907 148 Q HN 0.423 nan 8.270 nan 0.000 0.418 149 K N -0.497 119.913 120.400 0.017 0.000 2.217 149 K HA -0.121 4.198 4.320 -0.001 0.000 0.202 149 K C 1.829 178.440 176.600 0.018 0.000 1.051 149 K CA 0.805 57.101 56.287 0.016 0.000 0.952 149 K CB 0.091 32.600 32.500 0.015 0.000 0.736 149 K HN -0.062 nan 8.250 nan 0.000 0.453 150 R N 1.038 121.552 120.500 0.023 0.000 2.062 150 R HA 0.087 4.426 4.340 -0.001 0.000 0.229 150 R C 2.316 178.631 176.300 0.025 0.000 1.128 150 R CA 1.645 57.761 56.100 0.025 0.000 0.960 150 R CB -1.119 29.201 30.300 0.033 0.000 0.855 150 R HN 0.421 nan 8.270 nan 0.000 0.432 151 A N 0.618 123.454 122.820 0.027 0.000 1.968 151 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 151 A C 2.000 179.597 177.584 0.021 0.000 1.169 151 A CA 1.507 53.561 52.037 0.027 0.000 0.638 151 A CB -0.368 18.648 19.000 0.028 0.000 0.812 151 A HN 0.312 nan 8.150 nan 0.000 0.446 152 K N -0.258 120.153 120.400 0.017 0.000 2.360 152 K HA -0.057 4.263 4.320 -0.001 0.000 0.201 152 K C 1.394 178.002 176.600 0.013 0.000 1.046 152 K CA 1.298 57.593 56.287 0.014 0.000 0.945 152 K CB -0.351 32.155 32.500 0.011 0.000 0.750 152 K HN 0.343 nan 8.250 nan 0.000 0.464 153 G N -0.923 107.886 108.800 0.015 0.000 3.233 153 G HA2 0.249 4.208 3.960 -0.001 0.000 0.234 153 G HA3 0.249 4.208 3.960 -0.001 0.000 0.234 153 G C 0.686 175.595 174.900 0.015 0.000 1.137 153 G CA 0.090 45.198 45.100 0.014 0.000 0.763 153 G HN 0.461 nan 8.290 nan 0.000 0.549 154 G N 0.205 109.015 108.800 0.018 0.000 2.163 154 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.213 154 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.213 154 G C -0.027 174.887 174.900 0.023 0.000 0.991 154 G CA 0.099 45.210 45.100 0.019 0.000 0.653 154 G HN 0.514 nan 8.290 nan 0.000 0.518 155 D N 1.175 121.591 120.400 0.027 0.000 2.344 155 D HA 0.294 4.933 4.640 -0.001 0.000 0.253 155 D C 1.656 177.984 176.300 0.045 0.000 1.255 155 D CA 0.186 54.205 54.000 0.032 0.000 0.894 155 D CB 0.742 41.562 40.800 0.032 0.000 1.067 155 D HN 0.559 nan 8.370 nan 0.000 0.492 156 K N 3.445 123.872 120.400 0.044 0.000 2.057 156 K HA -0.149 4.171 4.320 -0.001 0.000 0.206 156 K C 1.597 178.255 176.600 0.096 0.000 1.050 156 K CA 0.910 57.232 56.287 0.058 0.000 0.935 156 K CB -0.004 32.517 32.500 0.035 0.000 0.715 156 K HN 0.379 nan 8.250 nan 0.000 0.439 157 E N 0.643 120.895 120.200 0.087 0.000 2.058 157 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 157 E C 1.973 178.668 176.600 0.158 0.000 0.997 157 E CA 1.342 57.821 56.400 0.130 0.000 0.801 157 E CB -0.211 29.542 29.700 0.089 0.000 0.746 157 E HN 0.518 nan 8.360 nan 0.000 0.450 158 A N 0.745 123.628 122.820 0.104 0.000 2.015 158 A HA -0.156 4.164 4.320 -0.001 0.000 0.219 158 A C 1.936 179.567 177.584 0.078 0.000 1.163 158 A CA 1.228 53.317 52.037 0.087 0.000 0.646 158 A CB -0.219 18.818 19.000 0.061 0.000 0.806 158 A HN 0.113 nan 8.150 nan 0.000 0.448 159 K N -1.964 118.492 120.400 0.093 0.000 2.228 159 K HA 0.020 4.339 4.320 -0.001 0.000 0.202 159 K C 1.553 178.209 176.600 0.093 0.000 1.051 159 K CA 0.947 57.281 56.287 0.078 0.000 0.960 159 K CB -0.150 32.402 32.500 0.086 0.000 0.743 159 K HN 0.534 nan 8.250 nan 0.000 0.458 160 F N 2.466 122.428 119.950 0.020 0.000 2.147 160 F HA -0.054 4.473 4.527 -0.001 0.000 0.291 160 F C 1.859 177.675 175.800 0.028 0.000 1.093 160 F CA 1.243 59.255 58.000 0.021 0.000 1.263 160 F CB 0.007 39.020 39.000 0.020 0.000 1.036 160 F HN -0.044 nan 8.300 nan 0.000 0.481 161 E N 0.427 120.568 120.200 -0.099 0.000 2.049 161 E HA -0.293 4.057 4.350 -0.001 0.000 0.198 161 E C 2.157 178.665 176.600 -0.153 0.000 1.007 161 E CA 1.721 58.048 56.400 -0.122 0.000 0.809 161 E CB -0.878 28.856 29.700 0.057 0.000 0.749 161 E HN 0.404 nan 8.360 nan 0.000 0.450 162 L N 1.837 123.009 121.223 -0.084 0.000 2.043 162 L HA -0.204 4.135 4.340 -0.001 0.000 0.212 162 L C 2.471 179.272 176.870 -0.116 0.000 1.075 162 L CA 2.408 57.203 54.840 -0.074 0.000 0.752 162 L CB -0.675 41.365 42.059 -0.031 0.000 0.891 162 L HN 0.129 nan 8.230 nan 0.000 0.432 163 S N -2.305 113.301 115.700 -0.156 0.000 2.474 163 S HA -0.081 4.389 4.470 -0.001 0.000 0.235 163 S C 1.740 176.216 174.600 -0.206 0.000 0.997 163 S CA 1.042 59.148 58.200 -0.158 0.000 0.949 163 S CB -0.773 62.341 63.200 -0.145 0.000 0.766 163 S HN 0.270 nan 8.310 nan 0.000 0.517 164 V N 1.740 121.489 119.914 -0.275 0.000 2.379 164 V HA -0.027 4.093 4.120 -0.001 0.000 0.243 164 V C 2.669 178.663 176.094 -0.167 0.000 1.035 164 V CA 1.334 63.490 62.300 -0.241 0.000 1.035 164 V CB -0.665 30.986 31.823 -0.286 0.000 0.673 164 V HN 0.377 nan 8.190 nan 0.000 0.457 165 M N 0.296 119.802 119.600 -0.156 0.000 2.103 165 M HA -0.274 4.205 4.480 -0.001 0.000 0.255 165 M C 2.088 178.312 176.300 -0.125 0.000 1.074 165 M CA 1.876 57.090 55.300 -0.142 0.000 1.090 165 M CB -1.397 31.127 32.600 -0.126 0.000 1.325 165 M HN 0.465 nan 8.290 nan 0.000 0.403 166 E N -0.710 119.425 120.200 -0.108 0.000 2.268 166 E HA -0.157 4.193 4.350 -0.001 0.000 0.195 166 E C 2.072 178.621 176.600 -0.085 0.000 0.995 166 E CA 0.698 57.047 56.400 -0.085 0.000 0.836 166 E CB -0.051 29.608 29.700 -0.067 0.000 0.763 166 E HN 0.512 nan 8.360 nan 0.000 0.491 167 K N 0.972 121.312 120.400 -0.099 0.000 2.098 167 K HA -0.024 4.295 4.320 -0.001 0.000 0.203 167 K C 2.263 178.801 176.600 -0.102 0.000 1.051 167 K CA 0.679 56.912 56.287 -0.090 0.000 0.957 167 K CB 0.073 32.518 32.500 -0.091 0.000 0.738 167 K HN 0.157 nan 8.250 nan 0.000 0.447 168 I N -0.746 119.743 120.570 -0.135 0.000 2.928 168 I HA -0.080 4.089 4.170 -0.001 0.000 0.266 168 I C 1.920 177.939 176.117 -0.163 0.000 1.234 168 I CA 0.430 61.629 61.300 -0.168 0.000 1.483 168 I CB -0.169 37.683 38.000 -0.247 0.000 1.097 168 I HN 0.011 nan 8.210 nan 0.000 0.455 169 L N 3.411 124.553 121.223 -0.136 0.000 1.970 169 L HA -0.036 4.303 4.340 -0.001 0.000 0.212 169 L C -0.421 176.396 176.870 -0.089 0.000 1.071 169 L CA 2.431 57.203 54.840 -0.112 0.000 0.751 169 L CB -1.713 40.295 42.059 -0.084 0.000 0.889 169 L HN 0.166 nan 8.230 nan 0.000 0.432 170 P HA -0.080 nan 4.420 nan 0.000 0.223 170 P C 1.957 179.222 177.300 -0.058 0.000 1.151 170 P CA 1.114 64.180 63.100 -0.056 0.000 0.787 170 P CB 0.024 31.696 31.700 -0.047 0.000 0.788 171 V N 0.408 120.278 119.914 -0.073 0.000 2.358 171 V HA -0.199 3.920 4.120 -0.001 0.000 0.246 171 V C 2.727 178.776 176.094 -0.075 0.000 1.047 171 V CA 1.562 63.820 62.300 -0.071 0.000 1.035 171 V CB -1.104 30.670 31.823 -0.082 0.000 0.658 171 V HN 0.025 nan 8.190 nan 0.000 0.452 172 L N -0.534 120.630 121.223 -0.099 0.000 2.156 172 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 172 L C 2.442 179.277 176.870 -0.058 0.000 1.095 172 L CA 1.280 56.064 54.840 -0.093 0.000 0.770 172 L CB -0.632 41.347 42.059 -0.133 0.000 0.914 172 L HN 0.335 nan 8.230 nan 0.000 0.439 173 E N 0.376 120.544 120.200 -0.053 0.000 2.273 173 E HA -0.180 4.170 4.350 -0.001 0.000 0.198 173 E C 0.797 177.381 176.600 -0.027 0.000 1.002 173 E CA 0.859 57.237 56.400 -0.035 0.000 0.828 173 E CB -0.022 29.659 29.700 -0.033 0.000 0.747 173 E HN 0.496 nan 8.360 nan 0.000 0.491 174 N N -0.775 117.907 118.700 -0.029 0.000 2.275 174 N HA 0.210 4.949 4.740 -0.001 0.000 0.236 174 N C -0.149 175.352 175.510 -0.016 0.000 1.154 174 N CA 0.638 53.675 53.050 -0.021 0.000 0.866 174 N CB 1.610 40.084 38.487 -0.022 0.000 1.093 174 N HN 0.049 nan 8.380 nan 0.000 0.515 175 A N -0.357 122.453 122.820 -0.017 0.000 2.887 175 A HA -0.124 4.196 4.320 -0.001 0.000 0.257 175 A C 0.892 178.472 177.584 -0.006 0.000 1.372 175 A CA 0.885 52.918 52.037 -0.006 0.000 0.879 175 A CB -1.991 17.012 19.000 0.004 0.000 1.082 175 A HN 0.417 nan 8.150 nan 0.000 0.703 176 G N -1.217 107.570 108.800 -0.022 0.000 2.504 176 G HA2 0.586 4.546 3.960 -0.001 0.000 0.288 176 G HA3 0.586 4.546 3.960 -0.001 0.000 0.288 176 G C 0.104 174.985 174.900 -0.030 0.000 1.182 176 G CA -0.435 44.652 45.100 -0.022 0.000 0.894 176 G HN 0.392 nan 8.290 nan 0.000 0.521 177 M N 1.110 120.697 119.600 -0.020 0.000 2.209 177 M HA 0.292 4.771 4.480 -0.001 0.000 0.355 177 M C 1.302 177.570 176.300 -0.054 0.000 1.171 177 M CA -0.495 54.791 55.300 -0.025 0.000 1.069 177 M CB 1.369 33.974 32.600 0.008 0.000 1.622 177 M HN 0.439 nan 8.290 nan 0.000 0.459 178 I N 2.231 122.748 120.570 -0.089 0.000 2.286 178 I HA -0.320 3.850 4.170 -0.001 0.000 0.248 178 I C 2.408 178.494 176.117 -0.053 0.000 1.115 178 I CA 1.309 62.540 61.300 -0.115 0.000 1.392 178 I CB -0.376 37.505 38.000 -0.198 0.000 1.065 178 I HN 0.742 nan 8.210 nan 0.000 0.418 179 R N 0.462 120.948 120.500 -0.023 0.000 2.249 179 R HA -0.118 4.221 4.340 -0.001 0.000 0.230 179 R C 1.575 177.870 176.300 -0.008 0.000 1.121 179 R CA 1.660 57.756 56.100 -0.006 0.000 0.997 179 R CB -0.444 29.857 30.300 0.003 0.000 0.867 179 R HN 0.125 nan 8.270 nan 0.000 0.465 180 S N 0.200 115.891 115.700 -0.014 0.000 2.556 180 S HA 0.180 4.649 4.470 -0.001 0.000 0.216 180 S C -0.089 174.501 174.600 -0.017 0.000 0.970 180 S CA -0.330 57.864 58.200 -0.009 0.000 0.912 180 S CB 0.739 63.936 63.200 -0.005 0.000 0.790 180 S HN 0.090 nan 8.310 nan 0.000 0.504 181 V N 2.099 121.997 119.914 -0.027 0.000 2.432 181 V HA 0.445 4.564 4.120 -0.001 0.000 0.275 181 V C 0.913 176.995 176.094 -0.020 0.000 1.043 181 V CA -0.799 61.482 62.300 -0.031 0.000 0.925 181 V CB 0.961 32.753 31.823 -0.052 0.000 0.985 181 V HN 0.305 nan 8.190 nan 0.000 0.466 182 G N 6.211 115.002 108.800 -0.014 0.000 2.778 182 G HA2 0.373 4.333 3.960 -0.001 0.000 0.287 182 G HA3 0.373 4.333 3.960 -0.001 0.000 0.287 182 G C -0.226 174.672 174.900 -0.004 0.000 0.747 182 G CA -0.216 44.880 45.100 -0.006 0.000 1.961 182 G HN 0.581 nan 8.290 nan 0.000 0.539 183 L N 1.928 123.150 121.223 -0.001 0.000 2.325 183 L HA 0.363 4.703 4.340 -0.001 0.000 0.279 183 L C 0.371 177.254 176.870 0.023 0.000 1.054 183 L CA -1.176 53.668 54.840 0.007 0.000 0.804 183 L CB 1.491 43.553 42.059 0.005 0.000 1.200 183 L HN 0.547 nan 8.230 nan 0.000 0.436 184 D N 0.972 121.396 120.400 0.039 0.000 2.451 184 D HA 0.150 4.789 4.640 -0.001 0.000 0.259 184 D C 0.557 176.894 176.300 0.063 0.000 1.201 184 D CA -0.570 53.459 54.000 0.048 0.000 1.028 184 D CB 0.828 41.663 40.800 0.058 0.000 1.095 184 D HN 0.261 nan 8.370 nan 0.000 0.539 185 K N -0.338 120.095 120.400 0.054 0.000 2.097 185 K HA -0.098 4.222 4.320 -0.001 0.000 0.206 185 K C 1.797 178.447 176.600 0.083 0.000 1.049 185 K CA 1.315 57.633 56.287 0.052 0.000 0.933 185 K CB -0.348 32.169 32.500 0.028 0.000 0.717 185 K HN 0.537 nan 8.250 nan 0.000 0.442 186 E N 1.131 121.400 120.200 0.115 0.000 2.072 186 E HA -0.186 4.164 4.350 -0.001 0.000 0.191 186 E C 1.817 178.611 176.600 0.324 0.000 0.985 186 E CA 1.058 57.567 56.400 0.181 0.000 0.801 186 E CB 0.093 29.893 29.700 0.166 0.000 0.750 186 E HN 0.400 nan 8.360 nan 0.000 0.452 187 E N 0.559 120.922 120.200 0.272 0.000 2.023 187 E HA -0.220 4.129 4.350 -0.001 0.000 0.196 187 E C 2.328 178.989 176.600 0.103 0.000 1.003 187 E CA 1.209 57.690 56.400 0.134 0.000 0.809 187 E CB -0.154 29.576 29.700 0.050 0.000 0.755 187 E HN 0.243 nan 8.360 nan 0.000 0.449 188 L N 0.708 121.988 121.223 0.095 0.000 1.997 188 L HA -0.312 4.027 4.340 -0.001 0.000 0.216 188 L C 2.817 179.752 176.870 0.109 0.000 1.074 188 L CA 1.555 56.450 54.840 0.093 0.000 0.763 188 L CB -0.608 41.491 42.059 0.066 0.000 0.890 188 L HN 0.199 nan 8.230 nan 0.000 0.434 189 Q N 0.293 120.161 119.800 0.112 0.000 2.096 189 Q HA -0.207 4.132 4.340 -0.001 0.000 0.204 189 Q C 2.102 178.179 176.000 0.128 0.000 0.982 189 Q CA 2.295 58.159 55.803 0.101 0.000 0.850 189 Q CB -0.359 28.433 28.738 0.091 0.000 0.901 189 Q HN 0.462 nan 8.270 nan 0.000 0.422 190 A N 0.302 123.236 122.820 0.189 0.000 2.067 190 A HA -0.019 4.301 4.320 -0.001 0.000 0.219 190 A C 1.826 179.539 177.584 0.214 0.000 1.158 190 A CA 1.285 53.448 52.037 0.210 0.000 0.661 190 A CB -0.766 18.395 19.000 0.269 0.000 0.801 190 A HN 0.651 nan 8.150 nan 0.000 0.452 191 I N -4.537 116.160 120.570 0.212 0.000 3.976 191 I HA 0.297 4.467 4.170 -0.001 0.000 0.337 191 I C 1.461 177.741 176.117 0.272 0.000 1.359 191 I CA 0.243 61.749 61.300 0.342 0.000 1.098 191 I CB 0.059 38.241 38.000 0.303 0.000 1.027 191 I HN 0.088 nan 8.210 nan 0.000 0.394 192 K N 2.188 122.667 120.400 0.131 0.000 2.103 192 K HA -0.182 4.138 4.320 -0.001 0.000 0.207 192 K C 2.173 178.747 176.600 -0.043 0.000 1.048 192 K CA 2.134 58.449 56.287 0.046 0.000 0.930 192 K CB 0.003 32.514 32.500 0.018 0.000 0.716 192 K HN 0.621 nan 8.250 nan 0.000 0.444 193 S N -0.866 114.755 115.700 -0.131 0.000 2.489 193 S HA -0.086 4.383 4.470 -0.001 0.000 0.228 193 S C 1.546 175.862 174.600 -0.472 0.000 0.995 193 S CA 0.279 58.299 58.200 -0.300 0.000 0.934 193 S CB -0.392 62.586 63.200 -0.370 0.000 0.771 193 S HN 0.349 nan 8.310 nan 0.000 0.522 194 Y N 1.930 122.028 120.300 -0.337 0.000 2.509 194 Y HA 0.183 4.733 4.550 -0.001 0.000 0.293 194 Y C 1.363 176.942 175.900 -0.536 0.000 1.133 194 Y CA 0.141 57.878 58.100 -0.606 0.000 1.283 194 Y CB -0.655 37.039 38.460 -1.277 0.000 1.001 194 Y HN 0.304 nan 8.280 nan 0.000 0.555 195 N N 0.084 118.654 118.700 -0.218 0.000 2.714 195 N HA -0.244 4.496 4.740 -0.001 0.000 0.252 195 N C -1.008 174.482 175.510 -0.033 0.000 1.014 195 N CA 0.108 53.100 53.050 -0.097 0.000 0.735 195 N CB -1.763 36.670 38.487 -0.091 0.000 0.924 195 N HN 0.072 nan 8.380 nan 0.000 0.540 196 F N 0.321 120.317 119.950 0.075 0.000 2.629 196 F HA -0.050 4.477 4.527 -0.001 0.000 0.377 196 F C 2.004 177.814 175.800 0.017 0.000 1.101 196 F CA 0.092 58.120 58.000 0.047 0.000 1.301 196 F CB 0.273 39.294 39.000 0.035 0.000 1.062 196 F HN 0.172 nan 8.300 nan 0.000 0.583 197 L N 1.541 122.901 121.223 0.229 0.000 2.131 197 L HA -0.140 4.200 4.340 -0.001 0.000 0.206 197 L C 2.315 179.235 176.870 0.083 0.000 1.087 197 L CA 1.484 56.387 54.840 0.105 0.000 0.767 197 L CB -0.651 41.453 42.059 0.075 0.000 0.917 197 L HN 0.808 nan 8.230 nan 0.000 0.441 198 T N -2.489 112.114 114.554 0.083 0.000 3.085 198 T HA -0.079 4.271 4.350 -0.001 0.000 0.263 198 T C 1.600 176.317 174.700 0.029 0.000 1.127 198 T CA 0.303 62.425 62.100 0.035 0.000 1.103 198 T CB -0.098 68.764 68.868 -0.011 0.000 0.921 198 T HN 0.106 nan 8.240 nan 0.000 0.510 199 L N 0.418 121.681 121.223 0.067 0.000 2.492 199 L HA 0.399 4.739 4.340 -0.001 0.000 0.223 199 L C 0.581 177.477 176.870 0.044 0.000 1.132 199 L CA 0.490 55.367 54.840 0.062 0.000 0.850 199 L CB -0.509 41.623 42.059 0.123 0.000 0.966 199 L HN 0.071 nan 8.230 nan 0.000 0.454 200 K N 2.193 122.617 120.400 0.041 0.000 2.412 200 K HA 0.143 4.463 4.320 -0.001 0.000 0.281 200 K C -2.193 174.406 176.600 -0.000 0.000 1.027 200 K CA -1.716 54.580 56.287 0.015 0.000 0.989 200 K CB -0.015 32.489 32.500 0.006 0.000 0.935 200 K HN 0.041 nan 8.250 nan 0.000 0.475 201 P HA -0.013 nan 4.420 nan 0.000 0.266 201 P C -0.771 176.507 177.300 -0.038 0.000 1.195 201 P CA 0.019 63.102 63.100 -0.028 0.000 0.768 201 P CB 0.729 32.407 31.700 -0.037 0.000 0.838 202 T N 2.654 117.168 114.554 -0.066 0.000 2.909 202 T HA 0.697 5.046 4.350 -0.001 0.000 0.299 202 T C -0.108 174.481 174.700 -0.184 0.000 1.073 202 T CA -0.601 61.434 62.100 -0.109 0.000 0.999 202 T CB 1.173 69.955 68.868 -0.143 0.000 1.098 202 T HN 0.464 nan 8.240 nan 0.000 0.477 203 M N 0.704 120.194 119.600 -0.183 0.000 2.518 203 M HA 0.685 5.165 4.480 -0.001 0.000 0.300 203 M C -1.796 174.341 176.300 -0.270 0.000 1.175 203 M CA -1.084 54.090 55.300 -0.211 0.000 0.890 203 M CB 1.578 34.163 32.600 -0.026 0.000 1.710 203 M HN 0.413 nan 8.290 nan 0.000 0.453 204 Y N 2.509 122.846 120.300 0.061 0.000 2.393 204 Y HA 0.451 5.000 4.550 -0.001 0.000 0.338 204 Y C -0.048 175.888 175.900 0.061 0.000 1.029 204 Y CA -0.508 57.615 58.100 0.038 0.000 1.239 204 Y CB 0.364 38.807 38.460 -0.029 0.000 1.170 204 Y HN 0.549 nan 8.280 nan 0.000 0.515 205 I N 4.133 124.832 120.570 0.216 0.000 2.256 205 I HA 0.262 4.431 4.170 -0.001 0.000 0.294 205 I C 0.181 176.375 176.117 0.127 0.000 1.127 205 I CA -0.427 60.966 61.300 0.154 0.000 1.247 205 I CB 0.178 38.257 38.000 0.131 0.000 1.460 205 I HN 0.695 nan 8.210 nan 0.000 0.511 206 A N 5.437 128.319 122.820 0.103 0.000 2.437 206 A HA 0.207 4.526 4.320 -0.001 0.000 0.303 206 A C 0.129 177.729 177.584 0.027 0.000 1.324 206 A CA -0.343 51.723 52.037 0.050 0.000 0.983 206 A CB -0.199 18.820 19.000 0.032 0.000 1.142 206 A HN 0.693 nan 8.150 nan 0.000 0.541 207 N N 2.422 121.143 118.700 0.034 0.000 2.430 207 N HA 0.404 5.143 4.740 -0.001 0.000 0.265 207 N C -0.190 175.415 175.510 0.159 0.000 1.100 207 N CA 0.067 53.165 53.050 0.081 0.000 0.961 207 N CB 1.026 39.590 38.487 0.130 0.000 1.075 207 N HN 0.599 nan 8.380 nan 0.000 0.478 208 V N 1.115 121.065 119.914 0.060 0.000 3.182 208 V HA 0.671 4.790 4.120 -0.001 0.000 0.311 208 V C 0.134 176.144 176.094 -0.141 0.000 1.221 208 V CA -1.173 61.143 62.300 0.027 0.000 1.060 208 V CB 1.040 32.664 31.823 -0.332 0.000 1.164 208 V HN 0.643 nan 8.190 nan 0.000 0.466 209 N N 0.905 119.475 118.700 -0.216 0.000 2.493 209 N HA 0.230 4.969 4.740 -0.001 0.000 0.275 209 N C 0.867 176.304 175.510 -0.121 0.000 1.186 209 N CA -0.121 52.772 53.050 -0.261 0.000 0.978 209 N CB 0.661 39.019 38.487 -0.215 0.000 1.184 209 N HN 0.880 nan 8.380 nan 0.000 0.487 210 E N 0.179 120.358 120.200 -0.035 0.000 2.501 210 E HA -0.195 4.154 4.350 -0.001 0.000 0.203 210 E C -0.510 176.189 176.600 0.166 0.000 1.072 210 E CA 1.198 57.665 56.400 0.111 0.000 0.885 210 E CB -0.197 29.551 29.700 0.079 0.000 0.813 210 E HN 0.518 nan 8.360 nan 0.000 0.556 211 D N -0.614 119.838 120.400 0.087 0.000 2.673 211 D HA 0.189 4.828 4.640 -0.001 0.000 0.278 211 D C 0.941 177.294 176.300 0.088 0.000 1.393 211 D CA 0.237 54.305 54.000 0.114 0.000 0.805 211 D CB 0.814 41.648 40.800 0.056 0.000 1.110 211 D HN 0.243 nan 8.370 nan 0.000 0.476 212 G N -0.533 108.261 108.800 -0.010 0.000 2.796 212 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.210 212 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.210 212 G C 0.849 175.694 174.900 -0.091 0.000 1.146 212 G CA -0.150 44.883 45.100 -0.112 0.000 0.779 212 G HN 0.155 nan 8.290 nan 0.000 0.535 213 F N 1.250 121.235 119.950 0.059 0.000 2.641 213 F HA 0.163 4.690 4.527 -0.001 0.000 0.298 213 F C 2.213 178.045 175.800 0.052 0.000 1.146 213 F CA 0.701 58.735 58.000 0.057 0.000 1.464 213 F CB 0.172 39.200 39.000 0.047 0.000 1.101 213 F HN 0.166 nan 8.300 nan 0.000 0.585 214 E N 0.253 120.567 120.200 0.189 0.000 2.068 214 E HA 0.061 4.410 4.350 -0.001 0.000 0.201 214 E C 0.706 177.362 176.600 0.093 0.000 0.947 214 E CA 0.557 57.041 56.400 0.141 0.000 0.909 214 E CB -0.125 29.649 29.700 0.124 0.000 1.015 214 E HN 0.182 nan 8.360 nan 0.000 0.484 215 N N 1.338 120.084 118.700 0.076 0.000 2.699 215 N HA 0.095 4.834 4.740 -0.001 0.000 0.317 215 N C -0.877 174.662 175.510 0.048 0.000 1.661 215 N CA -0.142 52.940 53.050 0.053 0.000 0.979 215 N CB 0.294 38.807 38.487 0.042 0.000 1.329 215 N HN -0.016 nan 8.380 nan 0.000 0.497 216 N N 1.954 120.689 118.700 0.058 0.000 2.457 216 N HA 0.273 5.013 4.740 -0.001 0.000 0.250 216 N C -1.914 173.624 175.510 0.045 0.000 0.982 216 N CA -1.801 51.299 53.050 0.082 0.000 0.941 216 N CB 2.127 40.674 38.487 0.100 0.000 1.120 216 N HN -0.015 nan 8.380 nan 0.000 0.505 217 P HA -0.024 nan 4.420 nan 0.000 0.219 217 P C 0.684 177.871 177.300 -0.188 0.000 1.150 217 P CA 1.039 64.050 63.100 -0.148 0.000 0.814 217 P CB 0.151 31.684 31.700 -0.277 0.000 0.787 218 Y N -0.338 119.943 120.300 -0.032 0.000 2.049 218 Y HA -0.165 4.385 4.550 -0.000 0.000 0.277 218 Y C 2.352 178.212 175.900 -0.066 0.000 1.143 218 Y CA 1.011 59.076 58.100 -0.058 0.000 1.115 218 Y CB -1.609 36.812 38.460 -0.065 0.000 0.975 218 Y HN -0.161 nan 8.280 nan 0.000 0.487 219 L N 0.502 121.805 121.223 0.133 0.000 2.081 219 L HA -0.242 4.097 4.340 -0.001 0.000 0.212 219 L C 1.686 178.567 176.870 0.018 0.000 1.080 219 L CA 1.956 56.827 54.840 0.052 0.000 0.754 219 L CB -0.818 41.270 42.059 0.048 0.000 0.893 219 L HN 0.216 nan 8.230 nan 0.000 0.433 220 D N -0.857 119.549 120.400 0.009 0.000 2.117 220 D HA -0.206 4.433 4.640 -0.001 0.000 0.198 220 D C 2.196 178.475 176.300 -0.035 0.000 0.982 220 D CA 1.191 55.185 54.000 -0.011 0.000 0.828 220 D CB -0.135 40.654 40.800 -0.019 0.000 0.967 220 D HN 0.260 nan 8.370 nan 0.000 0.464 221 R N 1.429 121.897 120.500 -0.053 0.000 2.075 221 R HA -0.067 4.272 4.340 -0.001 0.000 0.232 221 R C 2.116 178.360 176.300 -0.093 0.000 1.126 221 R CA 0.858 56.914 56.100 -0.073 0.000 0.963 221 R CB -0.819 29.428 30.300 -0.088 0.000 0.858 221 R HN -0.012 nan 8.270 nan 0.000 0.435 222 V N 0.839 120.692 119.914 -0.102 0.000 2.332 222 V HA -0.243 3.876 4.120 -0.001 0.000 0.248 222 V C 2.480 178.483 176.094 -0.151 0.000 1.055 222 V CA 2.306 64.493 62.300 -0.190 0.000 1.038 222 V CB -0.533 31.174 31.823 -0.192 0.000 0.651 222 V HN 0.324 nan 8.190 nan 0.000 0.450 223 R N -0.444 120.020 120.500 -0.060 0.000 2.081 223 R HA -0.177 4.162 4.340 -0.001 0.000 0.235 223 R C 2.432 178.720 176.300 -0.020 0.000 1.131 223 R CA 1.710 57.802 56.100 -0.014 0.000 0.960 223 R CB -0.281 30.026 30.300 0.011 0.000 0.856 223 R HN 0.593 nan 8.270 nan 0.000 0.436 224 E N 0.117 120.294 120.200 -0.037 0.000 2.049 224 E HA -0.249 4.101 4.350 -0.001 0.000 0.198 224 E C 1.885 178.461 176.600 -0.040 0.000 1.007 224 E CA 1.682 58.062 56.400 -0.034 0.000 0.809 224 E CB -0.093 29.581 29.700 -0.044 0.000 0.749 224 E HN 0.296 nan 8.360 nan 0.000 0.450 225 I N 0.536 121.056 120.570 -0.084 0.000 2.252 225 I HA -0.244 3.926 4.170 -0.001 0.000 0.245 225 I C 2.423 178.523 176.117 -0.028 0.000 1.102 225 I CA 1.046 62.290 61.300 -0.093 0.000 1.385 225 I CB -0.204 37.674 38.000 -0.204 0.000 1.064 225 I HN 0.098 nan 8.210 nan 0.000 0.414 226 A N 0.588 123.400 122.820 -0.013 0.000 1.902 226 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 226 A C 2.549 180.196 177.584 0.104 0.000 1.181 226 A CA 1.734 53.867 52.037 0.162 0.000 0.623 226 A CB -1.021 18.112 19.000 0.222 0.000 0.818 226 A HN 0.406 nan 8.150 nan 0.000 0.443 227 A N -0.394 122.459 122.820 0.055 0.000 1.997 227 A HA -0.248 4.072 4.320 -0.001 0.000 0.221 227 A C 2.076 179.683 177.584 0.038 0.000 1.172 227 A CA 2.294 54.356 52.037 0.042 0.000 0.645 227 A CB -0.421 18.594 19.000 0.024 0.000 0.813 227 A HN 0.522 nan 8.150 nan 0.000 0.454 228 K N -0.422 119.999 120.400 0.035 0.000 2.155 228 K HA -0.096 4.224 4.320 -0.001 0.000 0.203 228 K C 1.025 177.645 176.600 0.034 0.000 1.052 228 K CA 1.479 57.782 56.287 0.027 0.000 0.948 228 K CB 0.041 32.553 32.500 0.019 0.000 0.728 228 K HN 0.801 nan 8.250 nan 0.000 0.448 229 E N -1.571 118.661 120.200 0.053 0.000 2.651 229 E HA 0.249 4.599 4.350 -0.001 0.000 0.208 229 E C 0.414 177.042 176.600 0.047 0.000 0.997 229 E CA 0.114 56.544 56.400 0.051 0.000 1.020 229 E CB 0.882 30.624 29.700 0.069 0.000 1.052 229 E HN 0.140 nan 8.360 nan 0.000 0.465 230 G N 0.616 109.444 108.800 0.046 0.000 2.168 230 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.257 230 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.257 230 G C 0.379 175.305 174.900 0.044 0.000 0.997 230 G CA 0.090 45.213 45.100 0.038 0.000 0.708 230 G HN 0.688 nan 8.290 nan 0.000 0.520 231 A N -0.532 122.332 122.820 0.074 0.000 2.327 231 A HA 0.750 5.069 4.320 -0.001 0.000 0.283 231 A C 0.622 178.256 177.584 0.083 0.000 1.127 231 A CA -0.089 51.985 52.037 0.062 0.000 0.810 231 A CB 1.288 20.353 19.000 0.109 0.000 1.066 231 A HN 1.082 nan 8.150 nan 0.000 0.492 232 V N 2.637 122.578 119.914 0.044 0.000 2.614 232 V HA 0.237 4.357 4.120 -0.001 0.000 0.291 232 V C 0.079 176.247 176.094 0.122 0.000 1.049 232 V CA 0.046 62.389 62.300 0.072 0.000 1.038 232 V CB 1.188 33.043 31.823 0.052 0.000 0.980 232 V HN 0.580 nan 8.190 nan 0.000 0.481 233 V N 5.825 125.825 119.914 0.143 0.000 2.448 233 V HA 0.448 4.568 4.120 -0.001 0.000 0.295 233 V C -0.310 175.865 176.094 0.134 0.000 1.025 233 V CA -0.504 61.898 62.300 0.171 0.000 0.859 233 V CB 1.979 33.895 31.823 0.157 0.000 0.988 233 V HN 0.585 nan 8.190 nan 0.000 0.431 234 V N 7.203 127.200 119.914 0.137 0.000 2.349 234 V HA 0.379 4.498 4.120 -0.001 0.000 0.284 234 V C -2.516 173.658 176.094 0.133 0.000 1.014 234 V CA -1.903 60.474 62.300 0.129 0.000 0.826 234 V CB 1.761 33.656 31.823 0.121 0.000 1.009 234 V HN 0.730 nan 8.190 nan 0.000 0.431 235 P HA 0.355 nan 4.420 nan 0.000 0.276 235 P C -0.682 176.744 177.300 0.210 0.000 1.235 235 P CA -0.025 63.160 63.100 0.141 0.000 0.772 235 P CB 1.154 32.968 31.700 0.190 0.000 0.871 236 V N 1.031 121.017 119.914 0.120 0.000 3.001 236 V HA 0.532 4.652 4.120 -0.001 0.000 0.314 236 V C -0.370 175.748 176.094 0.040 0.000 1.099 236 V CA -1.055 61.341 62.300 0.160 0.000 0.989 236 V CB 1.913 33.798 31.823 0.104 0.000 1.040 236 V HN 0.684 nan 8.190 nan 0.000 0.434 237 C N 2.886 122.259 119.300 0.123 0.000 2.239 237 C HA 0.783 5.243 4.460 -0.001 0.000 0.325 237 C C 1.569 176.593 174.990 0.058 0.000 1.231 237 C CA 0.301 59.342 59.018 0.038 0.000 1.652 237 C CB -0.090 27.697 27.740 0.077 0.000 2.284 237 C HN 1.226 nan 8.230 nan 0.000 0.499 238 A N 4.803 127.646 122.820 0.038 0.000 2.014 238 A HA 0.221 4.540 4.320 -0.001 0.000 0.218 238 A C 2.217 179.808 177.584 0.012 0.000 1.163 238 A CA 1.697 53.753 52.037 0.032 0.000 0.652 238 A CB -0.558 18.473 19.000 0.051 0.000 0.808 238 A HN 1.336 nan 8.150 nan 0.000 0.449 239 A N 0.393 123.208 122.820 -0.009 0.000 1.829 239 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 239 A C 2.058 179.653 177.584 0.018 0.000 1.207 239 A CA 1.626 53.653 52.037 -0.016 0.000 0.622 239 A CB -0.870 18.093 19.000 -0.062 0.000 0.846 239 A HN 0.441 nan 8.150 nan 0.000 0.447 240 I N -0.484 120.116 120.570 0.051 0.000 2.315 240 I HA -0.251 3.919 4.170 -0.001 0.000 0.251 240 I C 2.272 178.412 176.117 0.039 0.000 1.125 240 I CA 1.390 62.751 61.300 0.101 0.000 1.392 240 I CB -0.083 38.020 38.000 0.172 0.000 1.065 240 I HN 0.325 nan 8.210 nan 0.000 0.424 241 E N -0.518 119.695 120.200 0.022 0.000 2.170 241 E HA -0.111 4.238 4.350 -0.001 0.000 0.191 241 E C 2.261 178.823 176.600 -0.064 0.000 0.981 241 E CA 0.761 57.148 56.400 -0.021 0.000 0.830 241 E CB -0.235 29.464 29.700 -0.001 0.000 0.775 241 E HN 0.229 nan 8.360 nan 0.000 0.470 242 S N 0.217 115.892 115.700 -0.043 0.000 2.406 242 S HA -0.097 4.373 4.470 -0.001 0.000 0.228 242 S C 1.584 176.136 174.600 -0.079 0.000 1.020 242 S CA 0.661 58.831 58.200 -0.050 0.000 0.965 242 S CB 0.072 63.259 63.200 -0.021 0.000 0.798 242 S HN 0.214 nan 8.310 nan 0.000 0.488 243 E N 1.043 121.190 120.200 -0.087 0.000 2.028 243 E HA -0.213 4.136 4.350 -0.001 0.000 0.217 243 E C 1.811 178.231 176.600 -0.300 0.000 1.039 243 E CA 1.978 58.288 56.400 -0.149 0.000 0.882 243 E CB -0.489 29.150 29.700 -0.101 0.000 0.794 243 E HN 0.509 nan 8.360 nan 0.000 0.488 244 I N 0.663 120.933 120.570 -0.499 0.000 2.550 244 I HA -0.355 3.814 4.170 -0.001 0.000 0.265 244 I C 2.163 178.123 176.117 -0.262 0.000 1.156 244 I CA 1.057 62.054 61.300 -0.505 0.000 1.431 244 I CB -0.485 37.283 38.000 -0.386 0.000 1.110 244 I HN 0.182 nan 8.210 nan 0.000 0.455 245 A N 0.026 122.737 122.820 -0.183 0.000 2.095 245 A HA 0.016 4.335 4.320 -0.001 0.000 0.212 245 A C 1.643 179.176 177.584 -0.085 0.000 1.162 245 A CA 0.355 52.322 52.037 -0.117 0.000 0.753 245 A CB -0.033 18.910 19.000 -0.094 0.000 0.840 245 A HN 0.372 nan 8.150 nan 0.000 0.468 246 E N -0.264 119.887 120.200 -0.081 0.000 2.499 246 E HA 0.402 4.752 4.350 -0.001 0.000 0.207 246 E C -0.524 176.050 176.600 -0.044 0.000 1.034 246 E CA -0.164 56.206 56.400 -0.049 0.000 1.098 246 E CB 0.306 29.987 29.700 -0.032 0.000 1.148 246 E HN 0.499 nan 8.360 nan 0.000 0.447 247 L N -0.059 121.126 121.223 -0.063 0.000 2.376 247 L HA 0.360 4.700 4.340 -0.001 0.000 0.267 247 L C 0.532 177.382 176.870 -0.032 0.000 1.035 247 L CA -1.071 53.745 54.840 -0.041 0.000 0.800 247 L CB 0.838 42.866 42.059 -0.053 0.000 1.290 247 L HN 0.052 nan 8.230 nan 0.000 0.462 248 D N -0.290 120.100 120.400 -0.016 0.000 2.371 248 D HA -0.057 4.582 4.640 -0.001 0.000 0.242 248 D C 0.801 177.090 176.300 -0.017 0.000 1.218 248 D CA 0.011 54.004 54.000 -0.013 0.000 0.945 248 D CB 0.769 41.567 40.800 -0.003 0.000 1.137 248 D HN 0.473 nan 8.370 nan 0.000 0.464 249 D N 0.348 120.739 120.400 -0.015 0.000 2.192 249 D HA -0.238 4.401 4.640 -0.001 0.000 0.189 249 D C 0.962 177.252 176.300 -0.016 0.000 1.007 249 D CA 1.518 55.508 54.000 -0.017 0.000 0.859 249 D CB 0.314 41.106 40.800 -0.012 0.000 0.936 249 D HN 0.560 nan 8.370 nan 0.000 0.447 250 E N -0.387 119.808 120.200 -0.008 0.000 2.572 250 E HA -0.001 4.349 4.350 -0.001 0.000 0.220 250 E C 0.116 176.721 176.600 0.008 0.000 0.945 250 E CA -0.126 56.274 56.400 -0.001 0.000 1.070 250 E CB 0.593 30.293 29.700 0.000 0.000 1.090 250 E HN 0.001 nan 8.360 nan 0.000 0.506 251 E N 1.214 121.419 120.200 0.008 0.000 2.888 251 E HA -0.065 4.284 4.350 -0.001 0.000 0.271 251 E C 0.549 177.170 176.600 0.036 0.000 1.527 251 E CA 0.402 56.815 56.400 0.021 0.000 1.700 251 E CB -0.046 29.664 29.700 0.018 0.000 1.410 251 E HN 0.196 nan 8.360 nan 0.000 0.445 252 K N -3.206 117.217 120.400 0.040 0.000 2.611 252 K HA 0.055 4.375 4.320 -0.001 0.000 0.209 252 K C 1.231 177.889 176.600 0.097 0.000 1.658 252 K CA 0.055 56.375 56.287 0.056 0.000 1.080 252 K CB 0.097 32.583 32.500 -0.024 0.000 1.430 252 K HN -0.012 nan 8.250 nan 0.000 0.596 253 V N 2.519 122.469 119.914 0.061 0.000 2.250 253 V HA -0.323 3.797 4.120 -0.001 0.000 0.253 253 V C 2.391 178.535 176.094 0.085 0.000 1.065 253 V CA 2.577 64.912 62.300 0.058 0.000 1.039 253 V CB -0.668 31.175 31.823 0.034 0.000 0.647 253 V HN 0.503 nan 8.190 nan 0.000 0.446 254 E N -0.819 119.431 120.200 0.082 0.000 2.265 254 E HA -0.226 4.124 4.350 -0.001 0.000 0.196 254 E C 1.978 178.628 176.600 0.084 0.000 0.996 254 E CA 0.910 57.347 56.400 0.062 0.000 0.832 254 E CB -0.116 29.605 29.700 0.036 0.000 0.756 254 E HN 0.608 nan 8.360 nan 0.000 0.491 255 F N 1.072 121.018 119.950 -0.007 0.000 2.216 255 F HA -0.158 4.369 4.527 -0.001 0.000 0.300 255 F C 1.823 177.618 175.800 -0.009 0.000 1.085 255 F CA 1.005 59.001 58.000 -0.007 0.000 1.326 255 F CB -0.140 38.857 39.000 -0.005 0.000 1.027 255 F HN 0.016 nan 8.300 nan 0.000 0.497 256 L N -0.266 121.122 121.223 0.275 0.000 1.938 256 L HA -0.281 4.058 4.340 -0.001 0.000 0.212 256 L C 2.524 179.448 176.870 0.090 0.000 1.085 256 L CA 1.590 56.543 54.840 0.187 0.000 0.760 256 L CB -0.892 41.228 42.059 0.102 0.000 0.888 256 L HN 0.095 nan 8.230 nan 0.000 0.433 257 Q N -0.113 119.715 119.800 0.046 0.000 2.336 257 Q HA -0.338 4.001 4.340 -0.001 0.000 0.218 257 Q C 1.292 177.289 176.000 -0.005 0.000 1.011 257 Q CA 2.322 58.133 55.803 0.013 0.000 0.949 257 Q CB -1.216 27.525 28.738 0.005 0.000 0.965 257 Q HN 0.475 nan 8.270 nan 0.000 0.419 258 D N -0.605 119.785 120.400 -0.018 0.000 2.362 258 D HA -0.058 4.582 4.640 -0.001 0.000 0.215 258 D C 0.599 176.877 176.300 -0.037 0.000 0.978 258 D CA 0.948 54.917 54.000 -0.051 0.000 0.921 258 D CB 0.121 40.851 40.800 -0.117 0.000 0.895 258 D HN 0.250 nan 8.370 nan 0.000 0.494 259 L N -2.308 118.901 121.223 -0.023 0.000 2.459 259 L HA 0.381 4.721 4.340 -0.001 0.000 0.238 259 L C 1.439 178.285 176.870 -0.040 0.000 1.152 259 L CA -0.309 54.511 54.840 -0.034 0.000 1.091 259 L CB 0.784 42.816 42.059 -0.045 0.000 1.596 259 L HN -0.140 nan 8.230 nan 0.000 0.422 260 G N -0.193 108.568 108.800 -0.065 0.000 2.985 260 G HA2 0.079 4.039 3.960 -0.001 0.000 0.209 260 G HA3 0.079 4.039 3.960 -0.001 0.000 0.209 260 G C 0.498 175.350 174.900 -0.080 0.000 1.165 260 G CA -0.029 45.032 45.100 -0.065 0.000 0.776 260 G HN 0.293 nan 8.290 nan 0.000 0.541 261 I N 1.415 121.924 120.570 -0.102 0.000 2.680 261 I HA -0.003 4.166 4.170 -0.001 0.000 0.286 261 I C 1.361 177.460 176.117 -0.030 0.000 1.144 261 I CA 0.095 61.346 61.300 -0.080 0.000 1.370 261 I CB 0.690 38.637 38.000 -0.088 0.000 1.420 261 I HN 0.191 nan 8.210 nan 0.000 0.540 262 E N 5.671 125.858 120.200 -0.023 0.000 2.371 262 E HA -0.048 4.302 4.350 -0.001 0.000 0.194 262 E C -0.128 176.473 176.600 0.001 0.000 1.012 262 E CA 0.506 56.902 56.400 -0.006 0.000 0.860 262 E CB 0.384 30.081 29.700 -0.005 0.000 0.811 262 E HN 0.729 nan 8.360 nan 0.000 0.502 263 E N -0.081 120.117 120.200 -0.003 0.000 2.416 263 E HA 0.360 4.709 4.350 -0.001 0.000 0.273 263 E C -2.757 173.840 176.600 -0.004 0.000 0.935 263 E CA -2.726 53.673 56.400 -0.002 0.000 0.784 263 E CB 0.711 30.409 29.700 -0.003 0.000 1.301 263 E HN -0.266 nan 8.360 nan 0.000 0.454 264 P HA -0.122 nan 4.420 nan 0.000 0.252 264 P C 0.884 178.183 177.300 -0.001 0.000 1.136 264 P CA 0.854 63.943 63.100 -0.018 0.000 0.778 264 P CB 0.055 31.734 31.700 -0.036 0.000 0.722 265 G N 2.783 111.594 108.800 0.018 0.000 2.601 265 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.214 265 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.214 265 G C 1.173 176.098 174.900 0.043 0.000 1.132 265 G CA 0.113 45.241 45.100 0.046 0.000 0.761 265 G HN 0.456 nan 8.290 nan 0.000 0.550 266 L N 0.103 121.331 121.223 0.008 0.000 2.209 266 L HA 0.175 4.514 4.340 -0.001 0.000 0.207 266 L C 2.250 179.114 176.870 -0.011 0.000 1.094 266 L CA 0.971 55.798 54.840 -0.021 0.000 0.790 266 L CB -0.204 41.821 42.059 -0.057 0.000 0.932 266 L HN 0.019 nan 8.230 nan 0.000 0.447 267 N N -0.157 118.543 118.700 -0.001 0.000 2.223 267 N HA -0.165 4.574 4.740 -0.001 0.000 0.185 267 N C 1.845 177.375 175.510 0.034 0.000 1.016 267 N CA 0.807 53.862 53.050 0.009 0.000 0.863 267 N CB -0.300 38.187 38.487 0.000 0.000 0.983 267 N HN 0.263 nan 8.380 nan 0.000 0.429 268 R N 0.367 120.892 120.500 0.041 0.000 2.148 268 R HA 0.020 4.359 4.340 -0.001 0.000 0.227 268 R C 1.452 177.804 176.300 0.087 0.000 1.103 268 R CA 0.586 56.724 56.100 0.062 0.000 0.983 268 R CB 0.028 30.367 30.300 0.066 0.000 0.874 268 R HN 0.095 nan 8.270 nan 0.000 0.451 269 V N 0.666 120.627 119.914 0.077 0.000 2.500 269 V HA -0.122 3.997 4.120 -0.001 0.000 0.243 269 V C 2.244 178.459 176.094 0.203 0.000 1.039 269 V CA 0.928 63.286 62.300 0.097 0.000 1.053 269 V CB -0.110 31.711 31.823 -0.002 0.000 0.695 269 V HN 0.205 nan 8.190 nan 0.000 0.463 270 I N 0.154 120.832 120.570 0.180 0.000 2.151 270 I HA -0.306 3.863 4.170 -0.001 0.000 0.243 270 I C 2.691 178.960 176.117 0.253 0.000 1.080 270 I CA 1.860 63.360 61.300 0.333 0.000 1.339 270 I CB -0.596 37.521 38.000 0.195 0.000 1.039 270 I HN 0.269 nan 8.210 nan 0.000 0.409 271 R N 0.847 121.436 120.500 0.147 0.000 2.115 271 R HA -0.025 4.314 4.340 -0.001 0.000 0.226 271 R C 2.435 178.836 176.300 0.169 0.000 1.100 271 R CA 1.232 57.409 56.100 0.128 0.000 0.980 271 R CB -0.362 29.981 30.300 0.071 0.000 0.875 271 R HN 0.367 nan 8.270 nan 0.000 0.445 272 A N 0.787 123.702 122.820 0.158 0.000 1.969 272 A HA -0.022 4.297 4.320 -0.001 0.000 0.218 272 A C 2.270 179.940 177.584 0.144 0.000 1.169 272 A CA 1.518 53.638 52.037 0.137 0.000 0.635 272 A CB -0.638 18.436 19.000 0.123 0.000 0.810 272 A HN 0.437 nan 8.150 nan 0.000 0.445 273 G N -2.309 106.618 108.800 0.212 0.000 2.494 273 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.216 273 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.216 273 G C 1.428 176.353 174.900 0.041 0.000 1.140 273 G CA 0.947 46.138 45.100 0.151 0.000 0.801 273 G HN 0.512 nan 8.290 nan 0.000 0.536 274 Y N 2.026 122.295 120.300 -0.051 0.000 2.163 274 Y HA 0.060 4.609 4.550 -0.001 0.000 0.288 274 Y C 2.897 178.728 175.900 -0.114 0.000 1.136 274 Y CA 1.269 59.301 58.100 -0.113 0.000 1.147 274 Y CB -0.383 38.041 38.460 -0.060 0.000 0.987 274 Y HN 0.224 nan 8.280 nan 0.000 0.509 275 A N 0.172 123.013 122.820 0.035 0.000 1.917 275 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 275 A C 2.218 179.747 177.584 -0.092 0.000 1.182 275 A CA 1.963 53.970 52.037 -0.050 0.000 0.633 275 A CB -1.354 17.662 19.000 0.027 0.000 0.819 275 A HN 0.577 nan 8.150 nan 0.000 0.448 276 L N -0.475 120.717 121.223 -0.052 0.000 2.083 276 L HA -0.038 4.301 4.340 -0.001 0.000 0.209 276 L C 1.868 178.673 176.870 -0.107 0.000 1.083 276 L CA 1.576 56.382 54.840 -0.057 0.000 0.752 276 L CB -0.317 41.730 42.059 -0.021 0.000 0.899 276 L HN 0.377 nan 8.230 nan 0.000 0.433 277 L N -0.154 120.970 121.223 -0.166 0.000 2.650 277 L HA 0.027 4.366 4.340 -0.001 0.000 0.235 277 L C 0.622 177.333 176.870 -0.264 0.000 1.149 277 L CA 0.299 55.008 54.840 -0.218 0.000 0.887 277 L CB -0.692 41.182 42.059 -0.307 0.000 1.021 277 L HN 0.451 nan 8.230 nan 0.000 0.441 278 N N -0.018 118.537 118.700 -0.241 0.000 2.776 278 N HA -0.166 4.573 4.740 -0.001 0.000 0.249 278 N C -0.648 174.659 175.510 -0.337 0.000 1.111 278 N CA 0.572 53.482 53.050 -0.234 0.000 0.711 278 N CB -1.197 37.189 38.487 -0.169 0.000 1.065 278 N HN 0.224 nan 8.380 nan 0.000 0.556 279 L N -0.322 120.571 121.223 -0.550 0.000 2.360 279 L HA 0.563 4.902 4.340 -0.001 0.000 0.271 279 L C 0.596 177.093 176.870 -0.621 0.000 1.057 279 L CA -0.486 53.883 54.840 -0.784 0.000 0.803 279 L CB 1.692 42.867 42.059 -1.473 0.000 1.207 279 L HN 0.151 nan 8.230 nan 0.000 0.445 280 Q N -0.114 119.478 119.800 -0.347 0.000 2.484 280 Q HA 0.522 4.862 4.340 -0.001 0.000 0.285 280 Q C -1.473 174.569 176.000 0.070 0.000 1.097 280 Q CA -0.645 55.127 55.803 -0.052 0.000 0.802 280 Q CB 2.841 31.560 28.738 -0.031 0.000 1.444 280 Q HN 0.605 nan 8.270 nan 0.000 0.429 281 T N 2.057 116.652 114.554 0.068 0.000 2.823 281 T HA 0.521 4.871 4.350 -0.001 0.000 0.279 281 T C -1.336 173.226 174.700 -0.230 0.000 0.998 281 T CA -0.365 61.649 62.100 -0.143 0.000 0.994 281 T CB 0.362 69.027 68.868 -0.338 0.000 0.960 281 T HN 0.447 nan 8.240 nan 0.000 0.448 282 Y N 1.035 121.184 120.300 -0.252 0.000 2.630 282 Y HA 0.896 5.446 4.550 -0.001 0.000 0.337 282 Y C -1.752 173.982 175.900 -0.278 0.000 1.051 282 Y CA -2.208 55.758 58.100 -0.223 0.000 1.121 282 Y CB 0.947 39.433 38.460 0.043 0.000 1.299 282 Y HN 0.448 nan 8.280 nan 0.000 0.498 283 F N 0.189 120.412 119.950 0.454 0.000 2.563 283 F HA 0.669 5.195 4.527 -0.001 0.000 0.316 283 F C -0.144 175.887 175.800 0.384 0.000 1.076 283 F CA -0.765 57.416 58.000 0.302 0.000 0.921 283 F CB 2.543 41.606 39.000 0.105 0.000 1.209 283 F HN 0.720 nan 8.300 nan 0.000 0.462 284 T N -0.324 114.594 114.554 0.606 0.000 2.912 284 T HA 0.931 5.280 4.350 -0.001 0.000 0.288 284 T C -0.908 173.944 174.700 0.253 0.000 1.030 284 T CA -0.904 61.441 62.100 0.408 0.000 1.020 284 T CB 1.903 71.091 68.868 0.534 0.000 1.056 284 T HN 0.968 nan 8.240 nan 0.000 0.480 285 A N 0.768 123.675 122.820 0.146 0.000 2.465 285 A HA 0.923 5.242 4.320 -0.001 0.000 0.292 285 A C -0.125 177.533 177.584 0.124 0.000 1.041 285 A CA -0.321 51.764 52.037 0.081 0.000 0.718 285 A CB 1.321 20.259 19.000 -0.103 0.000 1.266 285 A HN 1.584 nan 8.150 nan 0.000 0.403 286 G N -0.567 108.301 108.800 0.114 0.000 2.600 286 G HA2 0.619 4.578 3.960 -0.001 0.000 0.293 286 G HA3 0.619 4.578 3.960 -0.001 0.000 0.293 286 G C 0.699 175.645 174.900 0.077 0.000 1.408 286 G CA 0.414 45.569 45.100 0.092 0.000 0.782 286 G HN 1.815 nan 8.290 nan 0.000 0.482 287 V N -1.333 118.615 119.914 0.056 0.000 2.594 287 V HA 0.002 4.121 4.120 -0.001 0.000 0.253 287 V C 2.229 178.351 176.094 0.046 0.000 1.069 287 V CA 2.632 64.959 62.300 0.045 0.000 1.082 287 V CB -0.482 31.358 31.823 0.029 0.000 0.680 287 V HN 0.536 nan 8.190 nan 0.000 0.469 288 K N 1.144 121.577 120.400 0.055 0.000 2.186 288 K HA 0.126 4.446 4.320 -0.001 0.000 0.202 288 K C 0.846 177.482 176.600 0.060 0.000 1.052 288 K CA 1.050 57.370 56.287 0.056 0.000 0.965 288 K CB 0.196 32.736 32.500 0.066 0.000 0.746 288 K HN 0.939 nan 8.250 nan 0.000 0.457 289 E N -1.435 118.809 120.200 0.073 0.000 2.388 289 E HA 0.208 4.558 4.350 -0.001 0.000 0.280 289 E C -1.604 175.044 176.600 0.080 0.000 1.019 289 E CA -0.935 55.507 56.400 0.070 0.000 0.806 289 E CB 1.512 31.257 29.700 0.075 0.000 1.246 289 E HN -0.190 nan 8.360 nan 0.000 0.443 290 V N 2.269 122.216 119.914 0.055 0.000 2.444 290 V HA 0.587 4.707 4.120 -0.001 0.000 0.294 290 V C -0.284 175.841 176.094 0.051 0.000 1.022 290 V CA -0.588 61.745 62.300 0.055 0.000 0.850 290 V CB 1.566 33.389 31.823 0.000 0.000 0.992 290 V HN 0.573 nan 8.190 nan 0.000 0.426 291 R N 2.952 123.516 120.500 0.106 0.000 2.575 291 R HA 0.762 5.101 4.340 -0.001 0.000 0.293 291 R C -0.657 175.662 176.300 0.032 0.000 0.983 291 R CA -0.482 55.590 56.100 -0.047 0.000 0.887 291 R CB 2.156 32.305 30.300 -0.251 0.000 1.184 291 R HN 0.777 nan 8.270 nan 0.000 0.445 292 A N 3.528 126.291 122.820 -0.096 0.000 2.301 292 A HA 0.501 4.820 4.320 -0.001 0.000 0.298 292 A C -1.447 175.846 177.584 -0.485 0.000 1.185 292 A CA -0.266 51.645 52.037 -0.209 0.000 0.830 292 A CB 0.333 19.279 19.000 -0.091 0.000 1.112 292 A HN 0.674 nan 8.150 nan 0.000 0.508 293 W N 0.789 121.809 121.300 -0.466 0.000 2.739 293 W HA 0.488 5.148 4.660 -0.001 0.000 0.331 293 W C -0.149 176.111 176.519 -0.432 0.000 1.049 293 W CA -0.228 56.799 57.345 -0.529 0.000 1.234 293 W CB 2.345 31.135 29.460 -1.116 0.000 1.404 293 W HN 0.564 nan 8.180 nan 0.000 0.477 294 T N 3.780 118.397 114.554 0.104 0.000 2.767 294 T HA 0.547 4.896 4.350 -0.001 0.000 0.288 294 T C -0.252 174.517 174.700 0.114 0.000 0.963 294 T CA -0.449 61.740 62.100 0.149 0.000 1.019 294 T CB 0.477 69.527 68.868 0.303 0.000 0.923 294 T HN 0.331 nan 8.240 nan 0.000 0.468 295 V N 0.806 120.756 119.914 0.060 0.000 3.160 295 V HA 0.840 4.959 4.120 -0.001 0.000 0.310 295 V C 0.069 176.112 176.094 -0.085 0.000 1.181 295 V CA -1.379 60.942 62.300 0.035 0.000 1.047 295 V CB 1.756 33.654 31.823 0.125 0.000 1.068 295 V HN 0.843 nan 8.190 nan 0.000 0.441 296 S N 0.520 116.161 115.700 -0.100 0.000 2.585 296 S HA 0.492 4.961 4.470 -0.001 0.000 0.273 296 S C 0.185 174.717 174.600 -0.113 0.000 1.339 296 S CA -0.567 57.545 58.200 -0.147 0.000 1.028 296 S CB 1.000 64.125 63.200 -0.125 0.000 0.906 296 S HN 1.176 nan 8.310 nan 0.000 0.528 297 V N 2.601 122.437 119.914 -0.130 0.000 2.644 297 V HA 0.388 4.507 4.120 -0.001 0.000 0.305 297 V C 1.646 177.688 176.094 -0.086 0.000 1.053 297 V CA 1.379 63.620 62.300 -0.097 0.000 1.186 297 V CB -0.462 31.304 31.823 -0.096 0.000 0.895 297 V HN 1.469 nan 8.190 nan 0.000 0.490 298 G N 3.362 112.110 108.800 -0.085 0.000 2.176 298 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.253 298 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.253 298 G C 0.404 175.242 174.900 -0.103 0.000 0.979 298 G CA 0.131 45.174 45.100 -0.095 0.000 0.641 298 G HN 1.620 nan 8.290 nan 0.000 0.530 299 A N 0.925 123.688 122.820 -0.094 0.000 2.511 299 A HA 0.613 4.932 4.320 -0.001 0.000 0.242 299 A C 1.188 178.690 177.584 -0.136 0.000 1.069 299 A CA 1.258 53.236 52.037 -0.099 0.000 0.763 299 A CB 0.058 19.018 19.000 -0.066 0.000 1.001 299 A HN 1.824 nan 8.150 nan 0.000 0.498 300 T N -0.197 114.265 114.554 -0.154 0.000 2.766 300 T HA 0.456 4.806 4.350 -0.001 0.000 0.295 300 T C 1.432 176.011 174.700 -0.202 0.000 1.024 300 T CA -0.049 61.942 62.100 -0.182 0.000 1.018 300 T CB 0.952 69.707 68.868 -0.189 0.000 1.002 300 T HN 1.235 nan 8.240 nan 0.000 0.532 301 A N 1.443 124.159 122.820 -0.173 0.000 1.908 301 A HA 0.054 4.373 4.320 -0.001 0.000 0.218 301 A C -0.131 177.140 177.584 -0.522 0.000 1.181 301 A CA 1.311 53.261 52.037 -0.144 0.000 0.627 301 A CB -1.998 17.093 19.000 0.153 0.000 0.818 301 A HN 0.745 nan 8.150 nan 0.000 0.445 302 P HA -0.145 nan 4.420 nan 0.000 0.217 302 P C 1.452 178.493 177.300 -0.431 0.000 1.150 302 P CA 1.168 63.778 63.100 -0.816 0.000 0.832 302 P CB 0.035 31.264 31.700 -0.785 0.000 0.787 303 K N -0.394 119.816 120.400 -0.317 0.000 2.031 303 K HA 0.018 4.338 4.320 -0.001 0.000 0.205 303 K C 2.111 178.599 176.600 -0.187 0.000 1.049 303 K CA 1.484 57.655 56.287 -0.194 0.000 0.939 303 K CB -1.149 31.269 32.500 -0.137 0.000 0.717 303 K HN 0.008 nan 8.250 nan 0.000 0.438 304 A N 1.441 124.134 122.820 -0.212 0.000 1.917 304 A HA -0.174 4.146 4.320 -0.001 0.000 0.219 304 A C 2.346 179.729 177.584 -0.336 0.000 1.182 304 A CA 2.367 54.328 52.037 -0.127 0.000 0.633 304 A CB -0.570 18.315 19.000 -0.192 0.000 0.819 304 A HN 0.335 nan 8.150 nan 0.000 0.448 305 A N -0.685 121.632 122.820 -0.838 0.000 2.016 305 A HA 0.347 4.666 4.320 -0.001 0.000 0.217 305 A C 2.364 179.632 177.584 -0.527 0.000 1.162 305 A CA 1.493 52.643 52.037 -1.477 0.000 0.662 305 A CB -0.733 16.896 19.000 -2.285 0.000 0.812 305 A HN 1.038 nan 8.150 nan 0.000 0.450 306 A N -0.402 122.276 122.820 -0.237 0.000 2.067 306 A HA 0.089 4.408 4.320 -0.001 0.000 0.219 306 A C 2.027 179.619 177.584 0.012 0.000 1.158 306 A CA 1.362 53.396 52.037 -0.006 0.000 0.661 306 A CB -0.683 18.307 19.000 -0.018 0.000 0.801 306 A HN 0.327 nan 8.150 nan 0.000 0.452 307 V N 0.258 120.165 119.914 -0.010 0.000 2.469 307 V HA -0.282 3.837 4.120 -0.001 0.000 0.251 307 V C 2.286 178.418 176.094 0.064 0.000 1.064 307 V CA 2.070 64.413 62.300 0.072 0.000 1.066 307 V CB -0.620 31.294 31.823 0.153 0.000 0.667 307 V HN 0.615 nan 8.190 nan 0.000 0.461 308 I N -2.156 118.371 120.570 -0.072 0.000 2.339 308 I HA 0.026 4.195 4.170 -0.001 0.000 0.245 308 I C 1.125 177.373 176.117 0.219 0.000 1.096 308 I CA 0.875 62.133 61.300 -0.070 0.000 1.408 308 I CB 0.041 37.911 38.000 -0.218 0.000 1.092 308 I HN 0.343 nan 8.210 nan 0.000 0.423 309 H N 0.382 119.568 119.070 0.192 0.000 2.894 309 H HA 0.143 4.698 4.556 -0.001 0.000 0.367 309 H C 0.416 175.798 175.328 0.089 0.000 1.144 309 H CA 0.068 56.196 56.048 0.134 0.000 1.180 309 H CB 2.097 31.902 29.762 0.073 0.000 1.758 309 H HN 0.027 nan 8.280 nan 0.000 0.541 310 T N -0.083 114.327 114.554 -0.239 0.000 3.035 310 T HA -0.089 4.261 4.350 -0.001 0.000 0.268 310 T C 0.686 175.412 174.700 0.043 0.000 1.109 310 T CA 0.995 63.051 62.100 -0.074 0.000 1.119 310 T CB 0.088 68.874 68.868 -0.137 0.000 0.900 310 T HN 0.389 nan 8.240 nan 0.000 0.503 311 D N 0.281 120.800 120.400 0.199 0.000 2.363 311 D HA 0.137 4.777 4.640 -0.001 0.000 0.220 311 D C 1.077 177.342 176.300 -0.058 0.000 0.994 311 D CA 0.064 54.077 54.000 0.021 0.000 0.890 311 D CB -0.429 40.308 40.800 -0.105 0.000 0.906 311 D HN 0.363 nan 8.370 nan 0.000 0.530 312 F N 1.336 121.320 119.950 0.057 0.000 2.293 312 F HA -0.058 4.469 4.527 -0.001 0.000 0.300 312 F C 2.267 178.088 175.800 0.034 0.000 1.086 312 F CA 0.627 58.657 58.000 0.050 0.000 1.375 312 F CB -0.154 38.849 39.000 0.005 0.000 1.045 312 F HN -0.030 nan 8.300 nan 0.000 0.516 313 E N 0.528 120.819 120.200 0.151 0.000 2.048 313 E HA -0.265 4.084 4.350 -0.001 0.000 0.202 313 E C 2.026 178.661 176.600 0.057 0.000 1.021 313 E CA 2.112 58.542 56.400 0.051 0.000 0.825 313 E CB 0.063 29.770 29.700 0.012 0.000 0.756 313 E HN 0.271 nan 8.360 nan 0.000 0.454 314 K N -1.240 119.193 120.400 0.053 0.000 2.211 314 K HA 0.061 4.380 4.320 -0.001 0.000 0.201 314 K C 2.080 178.732 176.600 0.086 0.000 1.052 314 K CA 0.908 57.226 56.287 0.052 0.000 0.973 314 K CB 0.147 32.657 32.500 0.016 0.000 0.766 314 K HN 0.178 nan 8.250 nan 0.000 0.466 315 G N 1.437 110.282 108.800 0.075 0.000 2.813 315 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.209 315 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.209 315 G C 0.271 175.306 174.900 0.226 0.000 1.150 315 G CA -0.455 44.678 45.100 0.055 0.000 0.785 315 G HN 0.151 nan 8.290 nan 0.000 0.535 316 F N 1.148 121.219 119.950 0.201 0.000 2.607 316 F HA 0.256 4.783 4.527 -0.001 0.000 0.374 316 F C 1.163 177.070 175.800 0.179 0.000 1.104 316 F CA 0.188 58.376 58.000 0.313 0.000 1.296 316 F CB 0.636 39.749 39.000 0.189 0.000 1.085 316 F HN -0.050 nan 8.300 nan 0.000 0.584 317 I N 3.282 123.691 120.570 -0.268 0.000 3.570 317 I HA 0.181 4.351 4.170 -0.001 0.000 0.270 317 I C -0.273 175.550 176.117 -0.490 0.000 1.162 317 I CA -0.309 60.863 61.300 -0.214 0.000 1.413 317 I CB 0.185 38.115 38.000 -0.116 0.000 1.437 317 I HN 0.520 nan 8.210 nan 0.000 0.457 318 R N 0.819 120.757 120.500 -0.936 0.000 2.734 318 R HA 0.796 5.135 4.340 -0.001 0.000 0.271 318 R C -1.335 174.562 176.300 -0.672 0.000 1.021 318 R CA -0.725 55.005 56.100 -0.617 0.000 0.893 318 R CB 1.377 31.503 30.300 -0.291 0.000 1.244 318 R HN -0.042 nan 8.270 nan 0.000 0.464 319 A N 0.926 123.660 122.820 -0.143 0.000 2.318 319 A HA 0.516 4.835 4.320 -0.001 0.000 0.324 319 A C -0.934 176.476 177.584 -0.290 0.000 1.170 319 A CA -0.782 51.208 52.037 -0.079 0.000 0.810 319 A CB 0.786 19.923 19.000 0.228 0.000 1.198 319 A HN 0.733 nan 8.150 nan 0.000 0.484 320 E N 1.210 121.203 120.200 -0.346 0.000 2.130 320 E HA 0.484 4.833 4.350 -0.001 0.000 0.284 320 E C -1.019 175.388 176.600 -0.322 0.000 1.018 320 E CA -0.322 55.798 56.400 -0.465 0.000 0.817 320 E CB 1.704 31.246 29.700 -0.262 0.000 1.078 320 E HN 0.354 nan 8.360 nan 0.000 0.396 321 V N 4.923 124.613 119.914 -0.373 0.000 2.656 321 V HA 0.472 4.592 4.120 -0.001 0.000 0.307 321 V C -0.361 175.708 176.094 -0.042 0.000 1.051 321 V CA -0.735 61.451 62.300 -0.191 0.000 0.893 321 V CB 1.580 33.220 31.823 -0.305 0.000 0.999 321 V HN 0.578 nan 8.190 nan 0.000 0.426 322 I N 3.101 123.751 120.570 0.134 0.000 2.498 322 I HA 0.679 4.849 4.170 -0.001 0.000 0.290 322 I C 0.537 176.799 176.117 0.240 0.000 1.032 322 I CA -0.754 60.687 61.300 0.235 0.000 1.073 322 I CB 1.999 40.243 38.000 0.407 0.000 1.251 322 I HN 0.711 nan 8.210 nan 0.000 0.426 323 A N 4.514 127.466 122.820 0.220 0.000 2.498 323 A HA 0.009 4.328 4.320 -0.001 0.000 0.239 323 A C 0.741 178.486 177.584 0.267 0.000 1.068 323 A CA 0.190 52.370 52.037 0.240 0.000 0.766 323 A CB -0.049 19.070 19.000 0.199 0.000 1.003 323 A HN 0.825 nan 8.150 nan 0.000 0.497 324 Y N 1.684 122.103 120.300 0.198 0.000 2.102 324 Y HA -0.290 4.259 4.550 -0.001 0.000 0.280 324 Y C 1.867 177.867 175.900 0.166 0.000 1.178 324 Y CA 2.850 61.064 58.100 0.189 0.000 1.146 324 Y CB -0.216 38.357 38.460 0.188 0.000 0.968 324 Y HN 0.839 nan 8.280 nan 0.000 0.504 325 E N 0.083 120.312 120.200 0.049 0.000 2.204 325 E HA -0.166 4.183 4.350 -0.001 0.000 0.195 325 E C 1.742 178.268 176.600 -0.122 0.000 0.990 325 E CA 1.430 57.788 56.400 -0.070 0.000 0.821 325 E CB -0.238 29.490 29.700 0.047 0.000 0.750 325 E HN 0.561 nan 8.360 nan 0.000 0.477 326 D N -0.442 119.959 120.400 0.001 0.000 2.194 326 D HA -0.095 4.544 4.640 -0.001 0.000 0.204 326 D C 1.563 177.879 176.300 0.026 0.000 0.964 326 D CA 0.495 54.514 54.000 0.032 0.000 0.846 326 D CB -0.234 40.721 40.800 0.258 0.000 0.962 326 D HN 0.155 nan 8.370 nan 0.000 0.490 327 F N 1.509 121.409 119.950 -0.084 0.000 2.186 327 F HA -0.164 4.362 4.527 -0.001 0.000 0.299 327 F C 1.978 177.681 175.800 -0.161 0.000 1.090 327 F CA 0.889 58.853 58.000 -0.059 0.000 1.307 327 F CB 0.077 39.056 39.000 -0.035 0.000 1.019 327 F HN -0.184 nan 8.300 nan 0.000 0.489 328 I N 0.354 120.858 120.570 -0.109 0.000 2.133 328 I HA -0.282 3.888 4.170 -0.001 0.000 0.238 328 I C 2.457 178.422 176.117 -0.254 0.000 1.074 328 I CA 1.374 62.556 61.300 -0.196 0.000 1.342 328 I CB -1.660 36.139 38.000 -0.335 0.000 1.053 328 I HN 0.275 nan 8.210 nan 0.000 0.404 329 Q N 0.201 119.771 119.800 -0.384 0.000 2.030 329 Q HA -0.211 4.129 4.340 -0.001 0.000 0.204 329 Q C 1.715 177.360 176.000 -0.592 0.000 0.986 329 Q CA 1.872 57.318 55.803 -0.596 0.000 0.843 329 Q CB -0.057 28.092 28.738 -0.981 0.000 0.904 329 Q HN 0.404 nan 8.270 nan 0.000 0.420 330 F N 0.303 120.181 119.950 -0.120 0.000 2.692 330 F HA 0.208 4.734 4.527 -0.001 0.000 0.303 330 F C 0.052 175.725 175.800 -0.213 0.000 1.114 330 F CA -0.044 57.871 58.000 -0.140 0.000 1.361 330 F CB -0.309 38.623 39.000 -0.114 0.000 1.063 330 F HN 0.094 nan 8.300 nan 0.000 0.550 331 N N 0.818 119.420 118.700 -0.163 0.000 2.756 331 N HA -0.027 4.712 4.740 -0.001 0.000 0.248 331 N C 0.311 175.602 175.510 -0.365 0.000 1.062 331 N CA 0.874 53.796 53.050 -0.214 0.000 0.696 331 N CB -1.054 37.368 38.487 -0.109 0.000 0.946 331 N HN 0.720 nan 8.380 nan 0.000 0.548 332 G N -0.463 107.863 108.800 -0.790 0.000 2.422 332 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.607 332 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.607 332 G C 0.191 174.612 174.900 -0.798 0.000 1.270 332 G CA 0.076 44.483 45.100 -1.155 0.000 0.992 332 G HN 0.265 nan 8.290 nan 0.000 0.499 333 E N -0.382 119.568 120.200 -0.416 0.000 2.208 333 E HA -0.073 4.276 4.350 -0.001 0.000 0.193 333 E C 1.903 178.380 176.600 -0.205 0.000 0.988 333 E CA 1.330 57.644 56.400 -0.142 0.000 0.828 333 E CB -0.113 29.601 29.700 0.023 0.000 0.763 333 E HN 0.347 nan 8.360 nan 0.000 0.478 334 N N 0.257 118.833 118.700 -0.206 0.000 2.290 334 N HA -0.024 4.716 4.740 -0.001 0.000 0.179 334 N C 1.728 177.134 175.510 -0.173 0.000 1.016 334 N CA 1.015 53.943 53.050 -0.203 0.000 0.871 334 N CB -0.560 37.828 38.487 -0.164 0.000 0.987 334 N HN 0.276 nan 8.380 nan 0.000 0.431 335 G N 0.840 109.551 108.800 -0.148 0.000 2.529 335 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.219 335 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.219 335 G C 1.572 176.405 174.900 -0.112 0.000 1.177 335 G CA 1.531 46.575 45.100 -0.093 0.000 0.773 335 G HN 0.450 nan 8.290 nan 0.000 0.573 336 A N 0.214 122.996 122.820 -0.063 0.000 1.897 336 A HA 0.131 4.451 4.320 -0.001 0.000 0.215 336 A C 2.278 179.830 177.584 -0.053 0.000 1.181 336 A CA 1.884 53.931 52.037 0.017 0.000 0.620 336 A CB -0.331 18.760 19.000 0.151 0.000 0.821 336 A HN 0.367 nan 8.150 nan 0.000 0.443 337 K N -0.253 120.093 120.400 -0.089 0.000 2.001 337 K HA -0.222 4.098 4.320 -0.001 0.000 0.214 337 K C 2.062 178.578 176.600 -0.140 0.000 1.050 337 K CA 1.870 58.073 56.287 -0.140 0.000 0.934 337 K CB -0.246 32.018 32.500 -0.393 0.000 0.718 337 K HN 0.585 nan 8.250 nan 0.000 0.443 338 E N -0.271 119.820 120.200 -0.181 0.000 2.086 338 E HA -0.236 4.113 4.350 -0.001 0.000 0.200 338 E C 1.584 178.050 176.600 -0.224 0.000 1.012 338 E CA 1.459 57.750 56.400 -0.182 0.000 0.812 338 E CB -0.096 29.496 29.700 -0.180 0.000 0.743 338 E HN 0.376 nan 8.360 nan 0.000 0.453 339 A N -0.367 122.240 122.820 -0.356 0.000 2.251 339 A HA 0.249 4.568 4.320 -0.001 0.000 0.209 339 A C 1.473 178.890 177.584 -0.279 0.000 1.187 339 A CA 0.852 52.583 52.037 -0.510 0.000 0.823 339 A CB -0.153 18.092 19.000 -1.258 0.000 0.846 339 A HN 0.372 nan 8.150 nan 0.000 0.486 340 G N -0.362 108.354 108.800 -0.139 0.000 2.198 340 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.260 340 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.260 340 G C 0.393 175.321 174.900 0.046 0.000 1.025 340 G CA 0.636 45.725 45.100 -0.017 0.000 0.769 340 G HN 0.313 nan 8.290 nan 0.000 0.507 341 K N -1.091 119.354 120.400 0.074 0.000 2.570 341 K HA 0.271 4.591 4.320 -0.001 0.000 0.210 341 K C -0.193 176.541 176.600 0.223 0.000 1.048 341 K CA -1.140 55.235 56.287 0.148 0.000 1.167 341 K CB -0.093 32.534 32.500 0.211 0.000 0.892 341 K HN 0.560 nan 8.250 nan 0.000 0.480 342 W N 2.096 123.399 121.300 0.006 0.000 2.363 342 W HA 0.310 4.969 4.660 -0.001 0.000 0.314 342 W C -0.748 175.759 176.519 -0.020 0.000 0.994 342 W CA -0.703 56.646 57.345 0.005 0.000 1.449 342 W CB 0.605 30.067 29.460 0.002 0.000 1.248 342 W HN -0.132 nan 8.180 nan 0.000 0.409 343 R N 4.950 125.216 120.500 -0.390 0.000 2.474 343 R HA 0.598 4.937 4.340 -0.001 0.000 0.295 343 R C -0.606 175.314 176.300 -0.632 0.000 0.980 343 R CA -1.000 54.866 56.100 -0.391 0.000 0.934 343 R CB 1.532 31.673 30.300 -0.265 0.000 1.101 343 R HN 0.411 nan 8.270 nan 0.000 0.469 344 L N 2.398 123.325 121.223 -0.493 0.000 2.292 344 L HA 0.360 4.699 4.340 -0.001 0.000 0.284 344 L C 0.261 176.954 176.870 -0.293 0.000 1.065 344 L CA -0.333 54.250 54.840 -0.429 0.000 0.806 344 L CB 0.750 42.616 42.059 -0.322 0.000 1.175 344 L HN 0.428 nan 8.230 nan 0.000 0.431 345 E N 1.395 121.435 120.200 -0.266 0.000 2.369 345 E HA 0.661 5.010 4.350 -0.001 0.000 0.270 345 E C -0.277 176.339 176.600 0.026 0.000 0.909 345 E CA -0.495 55.784 56.400 -0.202 0.000 0.775 345 E CB 2.505 31.882 29.700 -0.538 0.000 1.270 345 E HN 0.669 nan 8.360 nan 0.000 0.445 346 G N 0.300 109.178 108.800 0.130 0.000 3.217 346 G HA2 0.260 4.219 3.960 -0.001 0.000 0.213 346 G HA3 0.260 4.219 3.960 -0.001 0.000 0.213 346 G C 0.385 175.408 174.900 0.205 0.000 1.294 346 G CA -0.356 44.887 45.100 0.238 0.000 0.987 346 G HN 0.318 nan 8.290 nan 0.000 0.584 347 K N -0.317 120.153 120.400 0.117 0.000 2.280 347 K HA -0.007 4.312 4.320 -0.001 0.000 0.202 347 K C 0.689 177.220 176.600 -0.114 0.000 1.047 347 K CA 1.423 57.653 56.287 -0.095 0.000 0.942 347 K CB 0.226 32.709 32.500 -0.029 0.000 0.739 347 K HN 0.319 nan 8.250 nan 0.000 0.457 348 D N -0.994 119.397 120.400 -0.015 0.000 2.431 348 D HA -0.046 4.593 4.640 -0.001 0.000 0.213 348 D C -0.446 175.860 176.300 0.010 0.000 1.130 348 D CA -0.219 53.767 54.000 -0.024 0.000 0.834 348 D CB 0.068 40.863 40.800 -0.007 0.000 0.985 348 D HN 0.116 nan 8.370 nan 0.000 0.504 349 Y N 2.310 122.578 120.300 -0.053 0.000 2.526 349 Y HA 0.115 4.664 4.550 -0.001 0.000 0.330 349 Y C 0.023 175.893 175.900 -0.050 0.000 1.156 349 Y CA -0.322 57.758 58.100 -0.032 0.000 1.419 349 Y CB 0.468 38.925 38.460 -0.004 0.000 1.250 349 Y HN -0.172 nan 8.280 nan 0.000 0.540 350 I N 8.152 128.278 120.570 -0.741 0.000 2.297 350 I HA 0.093 4.262 4.170 -0.001 0.000 0.291 350 I C -0.214 175.364 176.117 -0.899 0.000 1.033 350 I CA -0.662 60.280 61.300 -0.597 0.000 1.253 350 I CB 0.476 38.267 38.000 -0.347 0.000 1.396 350 I HN 0.400 nan 8.210 nan 0.000 0.476 351 V N 7.397 127.004 119.914 -0.512 0.000 2.644 351 V HA -0.088 4.031 4.120 -0.001 0.000 0.305 351 V C 0.632 176.641 176.094 -0.141 0.000 1.053 351 V CA 0.128 62.283 62.300 -0.241 0.000 1.186 351 V CB -0.105 31.683 31.823 -0.059 0.000 0.895 351 V HN 0.633 nan 8.190 nan 0.000 0.490 352 Q N 2.277 122.071 119.800 -0.010 0.000 2.282 352 Q HA 0.268 4.607 4.340 -0.001 0.000 0.260 352 Q C -0.271 175.792 176.000 0.105 0.000 0.964 352 Q CA -0.922 54.908 55.803 0.045 0.000 0.880 352 Q CB 1.407 30.205 28.738 0.100 0.000 1.286 352 Q HN 0.812 nan 8.270 nan 0.000 0.445 353 D N 0.822 121.269 120.400 0.077 0.000 2.819 353 D HA 0.002 4.641 4.640 -0.001 0.000 0.236 353 D C 1.018 177.391 176.300 0.122 0.000 1.181 353 D CA 2.093 56.140 54.000 0.078 0.000 0.855 353 D CB 0.024 40.858 40.800 0.056 0.000 1.146 353 D HN 0.777 nan 8.370 nan 0.000 0.540 354 G N 3.348 112.216 108.800 0.114 0.000 2.162 354 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.260 354 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.260 354 G C 0.113 175.270 174.900 0.429 0.000 0.976 354 G CA 0.123 45.381 45.100 0.263 0.000 0.655 354 G HN 0.649 nan 8.290 nan 0.000 0.533 355 D N -0.136 120.456 120.400 0.320 0.000 2.506 355 D HA 0.290 4.929 4.640 -0.001 0.000 0.234 355 D C 0.798 177.310 176.300 0.352 0.000 1.143 355 D CA 0.335 54.523 54.000 0.313 0.000 0.871 355 D CB 1.232 42.179 40.800 0.244 0.000 1.190 355 D HN 0.166 nan 8.370 nan 0.000 0.459 356 V N 4.573 124.655 119.914 0.279 0.000 2.339 356 V HA 0.208 4.327 4.120 -0.001 0.000 0.261 356 V C 0.493 176.653 176.094 0.109 0.000 1.058 356 V CA -0.174 62.237 62.300 0.185 0.000 0.897 356 V CB 0.059 31.850 31.823 -0.053 0.000 1.052 356 V HN 0.373 nan 8.190 nan 0.000 0.480 357 M N 3.894 123.516 119.600 0.037 0.000 2.528 357 M HA 0.546 5.025 4.480 -0.001 0.000 0.321 357 M C -0.919 175.200 176.300 -0.303 0.000 1.153 357 M CA -0.699 54.449 55.300 -0.253 0.000 0.951 357 M CB 2.227 34.469 32.600 -0.598 0.000 1.705 357 M HN 0.699 nan 8.290 nan 0.000 0.451 358 H N 1.610 120.397 119.070 -0.471 0.000 2.689 358 H HA 0.563 5.118 4.556 -0.001 0.000 0.346 358 H C -1.989 173.037 175.328 -0.503 0.000 1.037 358 H CA -0.637 55.179 56.048 -0.386 0.000 1.234 358 H CB 0.924 30.654 29.762 -0.054 0.000 1.572 358 H HN 0.382 nan 8.280 nan 0.000 0.524 359 F N 4.029 123.648 119.950 -0.552 0.000 2.421 359 F HA 0.531 5.058 4.527 -0.001 0.000 0.337 359 F C 0.328 175.830 175.800 -0.496 0.000 1.105 359 F CA -0.854 56.797 58.000 -0.581 0.000 1.049 359 F CB 1.064 39.523 39.000 -0.902 0.000 1.139 359 F HN 0.307 nan 8.300 nan 0.000 0.479 360 R N 3.210 123.583 120.500 -0.211 0.000 2.393 360 R HA 0.338 4.678 4.340 -0.001 0.000 0.310 360 R C -0.419 175.919 176.300 0.063 0.000 0.968 360 R CA -0.506 55.486 56.100 -0.179 0.000 0.867 360 R CB 0.882 31.038 30.300 -0.239 0.000 1.124 360 R HN 0.787 nan 8.270 nan 0.000 0.450 361 F N -0.824 119.162 119.950 0.059 0.000 2.668 361 F HA 0.476 5.003 4.527 -0.001 0.000 0.301 361 F C -0.291 175.468 175.800 -0.067 0.000 1.106 361 F CA -1.078 56.885 58.000 -0.061 0.000 1.289 361 F CB 0.363 39.201 39.000 -0.269 0.000 1.006 361 F HN 0.353 nan 8.300 nan 0.000 0.535 362 N N 0.180 118.750 118.700 -0.217 0.000 2.371 362 N HA 0.475 5.215 4.740 -0.001 0.000 0.280 362 N C -0.433 175.016 175.510 -0.103 0.000 1.084 362 N CA -0.421 52.556 53.050 -0.121 0.000 0.892 362 N CB 2.195 40.601 38.487 -0.136 0.000 1.653 362 N HN 0.031 nan 8.380 nan 0.000 0.480 363 V N 0.000 119.885 119.914 -0.048 0.000 2.409 363 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 363 V CA 0.000 62.281 62.300 -0.032 0.000 1.235 363 V CB 0.000 31.813 31.823 -0.016 0.000 1.184 363 V HN 0.000 nan 8.190 nan 0.000 0.556