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 1h8h_1_B DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAXX XXXXXXLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.277 176.300 -0.038 0.000 2.045 24 D CA 0.000 53.986 54.000 -0.022 0.000 0.868 24 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 25 L N 1.237 122.430 121.223 -0.050 0.000 2.633 25 L HA 0.020 4.360 4.340 0.000 0.000 0.235 25 L C 1.694 178.517 176.870 -0.079 0.000 1.163 25 L CA 0.616 55.404 54.840 -0.086 0.000 0.859 25 L CB -0.119 41.868 42.059 -0.121 0.000 0.973 25 L HN 0.338 nan 8.230 nan 0.000 0.451 26 E N 0.353 120.521 120.200 -0.054 0.000 2.170 26 E HA -0.071 4.279 4.350 0.000 0.000 0.191 26 E C 1.264 177.837 176.600 -0.045 0.000 0.981 26 E CA 0.781 57.153 56.400 -0.046 0.000 0.830 26 E CB 0.266 29.946 29.700 -0.033 0.000 0.775 26 E HN 0.534 nan 8.360 nan 0.000 0.470 27 E N 0.031 120.205 120.200 -0.043 0.000 2.601 27 E HA 0.181 4.531 4.350 0.000 0.000 0.219 27 E C 0.244 176.814 176.600 -0.051 0.000 0.964 27 E CA 0.126 56.501 56.400 -0.042 0.000 1.050 27 E CB 1.377 31.058 29.700 -0.032 0.000 1.068 27 E HN -0.066 nan 8.360 nan 0.000 0.496 28 T N -0.170 114.350 114.554 -0.056 0.000 2.887 28 T HA 0.731 5.081 4.350 0.000 0.000 0.292 28 T C -0.383 174.275 174.700 -0.071 0.000 1.087 28 T CA -0.437 61.627 62.100 -0.060 0.000 1.009 28 T CB 2.302 71.145 68.868 -0.042 0.000 1.203 28 T HN 0.161 nan 8.240 nan 0.000 0.518 29 G N 0.528 109.289 108.800 -0.065 0.000 2.649 29 G HA2 0.669 4.629 3.960 0.000 0.000 0.290 29 G HA3 0.669 4.629 3.960 0.000 0.000 0.290 29 G C -1.927 172.970 174.900 -0.005 0.000 1.426 29 G CA -0.782 44.285 45.100 -0.054 0.000 0.794 29 G HN 0.607 nan 8.290 nan 0.000 0.483 30 R N -0.467 120.066 120.500 0.054 0.000 2.670 30 R HA 0.557 4.897 4.340 0.000 0.000 0.289 30 R C -0.789 175.577 176.300 0.110 0.000 0.965 30 R CA -0.813 55.339 56.100 0.088 0.000 0.899 30 R CB 2.705 33.072 30.300 0.112 0.000 1.173 30 R HN 0.300 nan 8.270 nan 0.000 0.456 31 V N 5.082 125.060 119.914 0.106 0.000 2.446 31 V HA -0.001 4.119 4.120 0.000 0.000 0.276 31 V C 1.511 177.652 176.094 0.079 0.000 1.030 31 V CA 0.347 62.716 62.300 0.115 0.000 1.033 31 V CB 0.650 32.559 31.823 0.143 0.000 0.993 31 V HN 0.729 nan 8.190 nan 0.000 0.477 32 L N 3.958 125.225 121.223 0.073 0.000 2.068 32 L HA 0.073 4.413 4.340 0.000 0.000 0.204 32 L C 0.963 177.846 176.870 0.022 0.000 1.076 32 L CA 1.116 55.975 54.840 0.033 0.000 0.753 32 L CB -0.024 42.051 42.059 0.026 0.000 0.910 32 L HN 0.837 nan 8.230 nan 0.000 0.439 33 S N -1.294 114.424 115.700 0.030 0.000 2.537 33 S HA 0.598 5.068 4.470 0.000 0.000 0.271 33 S C -1.058 173.552 174.600 0.017 0.000 1.148 33 S CA -0.826 57.383 58.200 0.016 0.000 0.868 33 S CB 2.477 65.680 63.200 0.005 0.000 1.115 33 S HN 0.028 nan 8.310 nan 0.000 0.461 34 I N 0.981 121.552 120.570 0.002 0.000 2.533 34 I HA 0.898 5.068 4.170 0.000 0.000 0.290 34 I C -0.073 176.029 176.117 -0.024 0.000 1.056 34 I CA 0.629 61.920 61.300 -0.013 0.000 1.057 34 I CB 1.346 39.330 38.000 -0.028 0.000 1.240 34 I HN 1.458 nan 8.210 nan 0.000 0.423 35 G N 4.327 113.108 108.800 -0.031 0.000 2.356 35 G HA2 0.181 4.141 3.960 0.000 0.000 0.300 35 G HA3 0.181 4.141 3.960 0.000 0.000 0.300 35 G C -0.812 174.067 174.900 -0.036 0.000 1.331 35 G CA -0.244 44.836 45.100 -0.033 0.000 0.905 35 G HN 0.698 nan 8.290 nan 0.000 0.587 36 D N -0.976 119.401 120.400 -0.037 0.000 2.955 36 D HA -0.249 4.391 4.640 0.000 0.000 0.226 36 D C 1.780 178.048 176.300 -0.053 0.000 1.178 36 D CA 2.797 56.771 54.000 -0.043 0.000 0.808 36 D CB -1.104 39.673 40.800 -0.038 0.000 1.099 36 D HN 2.338 nan 8.370 nan 0.000 0.421 37 G N -0.554 108.213 108.800 -0.055 0.000 2.270 37 G HA2 -0.343 3.617 3.960 0.000 0.000 0.268 37 G HA3 -0.343 3.617 3.960 0.000 0.000 0.268 37 G C 0.399 175.256 174.900 -0.072 0.000 0.982 37 G CA 0.726 45.787 45.100 -0.066 0.000 0.628 37 G HN 0.503 nan 8.290 nan 0.000 0.544 38 I N 1.409 121.945 120.570 -0.057 0.000 2.377 38 I HA 0.620 4.790 4.170 0.000 0.000 0.293 38 I C 0.731 176.839 176.117 -0.016 0.000 0.987 38 I CA -0.657 60.618 61.300 -0.042 0.000 1.185 38 I CB 1.382 39.360 38.000 -0.038 0.000 1.341 38 I HN 0.279 nan 8.210 nan 0.000 0.455 39 A N 8.034 130.864 122.820 0.017 0.000 2.289 39 A HA 0.519 4.839 4.320 0.000 0.000 0.298 39 A C 0.081 177.710 177.584 0.076 0.000 1.208 39 A CA -0.651 51.425 52.037 0.065 0.000 0.845 39 A CB 0.358 19.457 19.000 0.165 0.000 1.125 39 A HN 0.589 nan 8.150 nan 0.000 0.517 40 R N 2.399 122.936 120.500 0.062 0.000 2.198 40 R HA 0.392 4.732 4.340 0.000 0.000 0.339 40 R C -1.076 175.273 176.300 0.082 0.000 1.020 40 R CA -0.246 55.889 56.100 0.059 0.000 0.864 40 R CB 0.963 31.287 30.300 0.039 0.000 1.105 40 R HN 0.446 nan 8.270 nan 0.000 0.463 41 V N 3.349 123.312 119.914 0.082 0.000 2.459 41 V HA 0.131 4.251 4.120 0.000 0.000 0.295 41 V C -0.088 176.065 176.094 0.099 0.000 1.029 41 V CA -0.947 61.404 62.300 0.085 0.000 0.874 41 V CB 1.443 33.288 31.823 0.038 0.000 0.985 41 V HN 0.640 nan 8.190 nan 0.000 0.438 42 H N 3.297 122.372 119.070 0.008 0.000 2.652 42 H HA 0.660 5.216 4.556 0.000 0.000 0.298 42 H C 0.408 175.733 175.328 -0.005 0.000 1.076 42 H CA 1.096 57.145 56.048 0.002 0.000 1.360 42 H CB 0.549 30.314 29.762 0.005 0.000 1.421 42 H HN 1.050 nan 8.280 nan 0.000 0.464 43 G N 3.174 111.754 108.800 -0.366 0.000 2.358 43 G HA2 -0.155 3.805 3.960 0.000 0.000 0.198 43 G HA3 -0.155 3.805 3.960 0.000 0.000 0.198 43 G C -0.203 174.607 174.900 -0.149 0.000 1.220 43 G CA -0.458 44.459 45.100 -0.306 0.000 1.187 43 G HN 1.011 nan 8.290 nan 0.000 0.544 44 L N -0.127 121.028 121.223 -0.114 0.000 3.781 44 L HA -0.261 4.079 4.340 0.000 0.000 0.426 44 L C 2.228 179.058 176.870 -0.066 0.000 1.197 44 L CA 1.120 55.911 54.840 -0.080 0.000 0.907 44 L CB -1.059 40.957 42.059 -0.072 0.000 1.812 44 L HN 0.670 nan 8.230 nan 0.000 0.956 45 R N 0.104 120.560 120.500 -0.074 0.000 2.154 45 R HA -0.173 4.167 4.340 0.000 0.000 0.248 45 R C 1.460 177.737 176.300 -0.038 0.000 1.155 45 R CA 1.819 57.886 56.100 -0.055 0.000 0.979 45 R CB -0.270 29.997 30.300 -0.056 0.000 0.869 45 R HN 0.561 nan 8.270 nan 0.000 0.452 46 N N 0.640 119.319 118.700 -0.036 0.000 2.322 46 N HA 0.017 4.757 4.740 0.000 0.000 0.194 46 N C 0.125 175.622 175.510 -0.023 0.000 1.126 46 N CA 0.169 53.203 53.050 -0.026 0.000 0.845 46 N CB 0.389 38.862 38.487 -0.023 0.000 0.976 46 N HN 0.026 nan 8.380 nan 0.000 0.475 47 V N -0.363 119.535 119.914 -0.027 0.000 3.287 47 V HA 0.055 4.175 4.120 0.000 0.000 0.306 47 V C 0.396 176.485 176.094 -0.010 0.000 1.103 47 V CA -0.405 61.883 62.300 -0.021 0.000 1.159 47 V CB 0.381 32.190 31.823 -0.023 0.000 1.036 47 V HN 0.073 nan 8.190 nan 0.000 0.487 48 Q N 1.138 120.936 119.800 -0.003 0.000 2.301 48 Q HA 0.719 5.059 4.340 0.000 0.000 0.267 48 Q C -0.238 175.770 176.000 0.012 0.000 1.035 48 Q CA -0.722 55.084 55.803 0.005 0.000 0.856 48 Q CB 1.941 30.683 28.738 0.007 0.000 1.337 48 Q HN 1.108 nan 8.270 nan 0.000 0.450 49 A N 1.790 124.620 122.820 0.016 0.000 2.491 49 A HA 0.124 4.444 4.320 0.000 0.000 0.261 49 A C 0.071 177.675 177.584 0.032 0.000 1.101 49 A CA 0.300 52.352 52.037 0.025 0.000 0.772 49 A CB -0.355 18.660 19.000 0.025 0.000 1.043 49 A HN 0.950 nan 8.150 nan 0.000 0.501 50 E N -0.280 119.946 120.200 0.044 0.000 3.687 50 E HA -0.172 4.178 4.350 0.000 0.000 0.319 50 E C 0.105 176.742 176.600 0.061 0.000 0.821 50 E CA 1.080 57.516 56.400 0.060 0.000 1.195 50 E CB -1.434 28.295 29.700 0.049 0.000 1.605 50 E HN 0.942 nan 8.360 nan 0.000 0.419 51 E N 0.875 121.103 120.200 0.047 0.000 2.301 51 E HA 0.341 4.691 4.350 0.000 0.000 0.275 51 E C -0.141 176.496 176.600 0.061 0.000 1.030 51 E CA -0.533 55.892 56.400 0.042 0.000 0.852 51 E CB 0.782 30.493 29.700 0.019 0.000 1.060 51 E HN 0.041 nan 8.360 nan 0.000 0.401 52 M N 4.801 124.442 119.600 0.068 0.000 2.217 52 M HA 0.171 4.651 4.480 0.000 0.000 0.354 52 M C -1.000 175.324 176.300 0.040 0.000 1.225 52 M CA -0.206 55.152 55.300 0.096 0.000 1.137 52 M CB 1.009 33.667 32.600 0.097 0.000 1.576 52 M HN 0.355 nan 8.290 nan 0.000 0.461 53 V N 1.380 121.306 119.914 0.020 0.000 3.074 53 V HA 0.732 4.852 4.120 0.000 0.000 0.314 53 V C -0.950 175.079 176.094 -0.109 0.000 1.117 53 V CA -0.853 61.394 62.300 -0.088 0.000 1.014 53 V CB 2.159 33.864 31.823 -0.197 0.000 1.057 53 V HN 0.828 nan 8.190 nan 0.000 0.438 54 E N 1.184 121.279 120.200 -0.175 0.000 2.210 54 E HA 0.544 4.894 4.350 0.000 0.000 0.266 54 E C -1.751 174.738 176.600 -0.184 0.000 0.883 54 E CA -0.382 55.966 56.400 -0.087 0.000 0.761 54 E CB 2.312 32.002 29.700 -0.015 0.000 1.156 54 E HN 0.631 nan 8.360 nan 0.000 0.412 55 F N 0.816 120.787 119.950 0.034 0.000 2.379 55 F HA 0.104 4.631 4.527 0.000 0.000 0.332 55 F C 1.868 177.683 175.800 0.024 0.000 1.096 55 F CA -0.211 57.805 58.000 0.027 0.000 1.105 55 F CB 1.329 40.345 39.000 0.026 0.000 1.189 55 F HN 0.455 nan 8.300 nan 0.000 0.515 56 S N 0.653 116.467 115.700 0.191 0.000 2.406 56 S HA -0.296 4.174 4.470 0.000 0.000 0.242 56 S C 1.776 176.446 174.600 0.116 0.000 1.079 56 S CA 2.177 60.448 58.200 0.120 0.000 1.133 56 S CB -0.722 62.541 63.200 0.106 0.000 1.005 56 S HN 0.736 nan 8.310 nan 0.000 0.443 57 S N 0.514 116.299 115.700 0.142 0.000 2.851 57 S HA 0.410 4.880 4.470 0.000 0.000 0.227 57 S C 1.415 176.075 174.600 0.099 0.000 0.958 57 S CA 0.584 58.841 58.200 0.095 0.000 0.990 57 S CB -0.433 62.802 63.200 0.057 0.000 0.790 57 S HN 0.941 nan 8.310 nan 0.000 0.509 58 G N 0.203 109.076 108.800 0.122 0.000 2.257 58 G HA2 -0.278 3.682 3.960 0.000 0.000 0.267 58 G HA3 -0.278 3.682 3.960 0.000 0.000 0.267 58 G C -0.020 174.965 174.900 0.141 0.000 0.984 58 G CA 0.316 45.481 45.100 0.108 0.000 0.626 58 G HN 0.572 nan 8.290 nan 0.000 0.540 59 L N 1.456 122.785 121.223 0.178 0.000 2.416 59 L HA 0.487 4.827 4.340 0.000 0.000 0.272 59 L C 0.837 177.935 176.870 0.380 0.000 1.161 59 L CA 0.124 55.080 54.840 0.193 0.000 0.845 59 L CB 0.574 42.661 42.059 0.047 0.000 1.119 59 L HN 0.261 nan 8.230 nan 0.000 0.464 60 K N 2.449 123.043 120.400 0.324 0.000 2.087 60 K HA 0.747 5.067 4.320 0.000 0.000 0.255 60 K C -0.056 176.841 176.600 0.495 0.000 0.988 60 K CA -0.514 56.003 56.287 0.384 0.000 0.915 60 K CB 1.404 34.079 32.500 0.291 0.000 1.043 60 K HN 0.811 nan 8.250 nan 0.000 0.457 61 G N 0.471 109.540 108.800 0.448 0.000 2.766 61 G HA2 0.617 4.577 3.960 0.000 0.000 0.288 61 G HA3 0.617 4.577 3.960 0.000 0.000 0.288 61 G C -1.688 173.348 174.900 0.226 0.000 1.408 61 G CA -0.678 44.622 45.100 0.333 0.000 0.852 61 G HN 0.451 nan 8.290 nan 0.000 0.487 62 M N 1.252 120.887 119.600 0.059 0.000 2.204 62 M HA 0.371 4.851 4.480 0.000 0.000 0.293 62 M C -0.657 175.674 176.300 0.051 0.000 0.994 62 M CA -0.570 54.798 55.300 0.113 0.000 0.925 62 M CB 1.895 34.593 32.600 0.163 0.000 1.577 62 M HN 0.408 nan 8.290 nan 0.000 0.439 63 S N 4.970 120.700 115.700 0.051 0.000 2.429 63 S HA 0.094 4.564 4.470 0.000 0.000 0.292 63 S C 0.549 175.170 174.600 0.036 0.000 1.183 63 S CA -0.475 57.742 58.200 0.029 0.000 1.088 63 S CB 0.419 63.627 63.200 0.014 0.000 1.018 63 S HN 0.715 nan 8.310 nan 0.000 0.511 64 L N 4.342 125.582 121.223 0.028 0.000 2.185 64 L HA 0.341 4.681 4.340 0.000 0.000 0.198 64 L C 0.041 176.928 176.870 0.028 0.000 1.079 64 L CA 1.225 56.085 54.840 0.033 0.000 0.780 64 L CB -0.103 41.969 42.059 0.022 0.000 0.955 64 L HN 0.492 nan 8.230 nan 0.000 0.462 65 N N 0.754 119.466 118.700 0.019 0.000 2.437 65 N HA 0.420 5.160 4.740 0.000 0.000 0.259 65 N C -1.327 174.193 175.510 0.015 0.000 0.983 65 N CA -0.250 52.810 53.050 0.017 0.000 0.937 65 N CB 1.175 39.669 38.487 0.012 0.000 1.122 65 N HN 0.132 nan 8.380 nan 0.000 0.499 66 L N 2.478 123.710 121.223 0.015 0.000 2.270 66 L HA 0.308 4.648 4.340 0.000 0.000 0.286 66 L C 0.190 177.066 176.870 0.011 0.000 1.059 66 L CA -0.162 54.684 54.840 0.010 0.000 0.839 66 L CB 0.190 42.254 42.059 0.008 0.000 1.221 66 L HN 0.491 nan 8.230 nan 0.000 0.431 67 E N 3.683 123.891 120.200 0.012 0.000 2.222 67 E HA 0.291 4.641 4.350 0.000 0.000 0.267 67 E C -1.652 174.956 176.600 0.014 0.000 0.963 67 E CA -1.812 54.597 56.400 0.014 0.000 0.837 67 E CB 1.605 31.315 29.700 0.017 0.000 1.183 67 E HN 0.258 nan 8.360 nan 0.000 0.403 68 P HA -0.177 nan 4.420 nan 0.000 0.219 68 P C 0.262 177.577 177.300 0.024 0.000 1.146 68 P CA 1.367 64.476 63.100 0.015 0.000 0.808 68 P CB 0.194 31.902 31.700 0.015 0.000 0.779 69 D N -2.563 117.858 120.400 0.036 0.000 2.520 69 D HA 0.061 4.701 4.640 0.000 0.000 0.223 69 D C 0.088 176.446 176.300 0.097 0.000 1.186 69 D CA -0.126 53.915 54.000 0.067 0.000 0.821 69 D CB -0.336 40.499 40.800 0.060 0.000 1.072 69 D HN 0.317 nan 8.370 nan 0.000 0.518 70 N N -1.362 117.375 118.700 0.061 0.000 3.227 70 N HA 0.413 5.153 4.740 0.000 0.000 0.241 70 N C -2.009 173.520 175.510 0.032 0.000 1.480 70 N CA -0.920 52.169 53.050 0.065 0.000 0.886 70 N CB 1.672 40.200 38.487 0.068 0.000 1.406 70 N HN -0.197 nan 8.380 nan 0.000 0.514 71 V N -0.447 119.484 119.914 0.029 0.000 2.588 71 V HA 0.828 4.948 4.120 0.000 0.000 0.304 71 V C 0.253 176.363 176.094 0.027 0.000 1.042 71 V CA -0.579 61.731 62.300 0.017 0.000 0.877 71 V CB 1.428 33.252 31.823 0.001 0.000 0.996 71 V HN 0.917 nan 8.190 nan 0.000 0.425 72 G N 2.985 111.798 108.800 0.022 0.000 2.335 72 G HA2 0.582 4.542 3.960 0.000 0.000 0.316 72 G HA3 0.582 4.542 3.960 0.000 0.000 0.316 72 G C -0.936 173.979 174.900 0.025 0.000 1.129 72 G CA -0.375 44.739 45.100 0.024 0.000 0.899 72 G HN 0.528 nan 8.290 nan 0.000 0.448 73 V N 3.103 123.046 119.914 0.049 0.000 2.435 73 V HA 0.258 4.378 4.120 0.000 0.000 0.290 73 V C 0.209 176.307 176.094 0.007 0.000 1.030 73 V CA -0.711 61.626 62.300 0.061 0.000 0.881 73 V CB 1.822 33.750 31.823 0.174 0.000 0.983 73 V HN 0.512 nan 8.190 nan 0.000 0.445 74 V N 6.080 125.944 119.914 -0.084 0.000 2.455 74 V HA 0.185 4.305 4.120 0.000 0.000 0.273 74 V C 0.163 176.052 176.094 -0.343 0.000 1.045 74 V CA -0.155 62.012 62.300 -0.222 0.000 0.976 74 V CB 1.583 33.237 31.823 -0.281 0.000 0.993 74 V HN 0.614 nan 8.190 nan 0.000 0.475 75 V N 6.868 126.628 119.914 -0.255 0.000 2.385 75 V HA 0.257 4.377 4.120 0.000 0.000 0.269 75 V C 0.229 176.215 176.094 -0.181 0.000 1.043 75 V CA -0.260 61.917 62.300 -0.205 0.000 0.906 75 V CB 0.810 32.499 31.823 -0.223 0.000 0.995 75 V HN 0.733 nan 8.190 nan 0.000 0.467 76 F N 4.591 124.596 119.950 0.093 0.000 2.859 76 F HA 0.546 5.073 4.527 0.000 0.000 0.315 76 F C 1.217 177.050 175.800 0.055 0.000 1.207 76 F CA 0.242 58.297 58.000 0.091 0.000 1.370 76 F CB -0.210 38.854 39.000 0.106 0.000 1.314 76 F HN 0.666 nan 8.300 nan 0.000 0.555 77 G N -0.395 108.485 108.800 0.134 0.000 2.348 77 G HA2 -0.000 3.960 3.960 0.000 0.000 0.296 77 G HA3 -0.000 3.960 3.960 0.000 0.000 0.296 77 G C -1.253 173.649 174.900 0.003 0.000 1.258 77 G CA -1.049 44.096 45.100 0.075 0.000 0.868 77 G HN -0.110 nan 8.290 nan 0.000 0.488 78 N N 2.115 120.809 118.700 -0.011 0.000 2.498 78 N HA 0.064 4.804 4.740 0.000 0.000 0.277 78 N C 1.172 176.632 175.510 -0.083 0.000 1.208 78 N CA 0.404 53.434 53.050 -0.034 0.000 1.029 78 N CB 0.526 39.002 38.487 -0.018 0.000 1.403 78 N HN 0.605 nan 8.380 nan 0.000 0.500 79 D N 2.757 123.090 120.400 -0.111 0.000 2.354 79 D HA -0.255 4.385 4.640 0.000 0.000 0.216 79 D C 1.195 177.419 176.300 -0.126 0.000 0.970 79 D CA 0.949 54.848 54.000 -0.168 0.000 0.905 79 D CB 0.105 40.811 40.800 -0.156 0.000 0.903 79 D HN 0.614 nan 8.370 nan 0.000 0.508 80 K N 0.932 121.285 120.400 -0.080 0.000 2.209 80 K HA -0.099 4.221 4.320 0.000 0.000 0.204 80 K C 2.058 178.622 176.600 -0.059 0.000 1.048 80 K CA 0.807 57.060 56.287 -0.057 0.000 0.940 80 K CB -0.526 31.953 32.500 -0.036 0.000 0.729 80 K HN 0.170 nan 8.250 nan 0.000 0.451 81 L N 1.427 122.607 121.223 -0.072 0.000 2.693 81 L HA 0.205 4.545 4.340 0.000 0.000 0.242 81 L C 0.335 177.155 176.870 -0.084 0.000 1.157 81 L CA 0.065 54.867 54.840 -0.063 0.000 0.929 81 L CB -0.389 41.636 42.059 -0.057 0.000 1.103 81 L HN 0.227 nan 8.230 nan 0.000 0.430 82 I N -0.566 119.939 120.570 -0.109 0.000 2.646 82 I HA 0.371 4.541 4.170 0.000 0.000 0.299 82 I C -0.355 175.739 176.117 -0.038 0.000 1.036 82 I CA -0.698 60.539 61.300 -0.106 0.000 1.074 82 I CB 2.154 40.002 38.000 -0.253 0.000 1.258 82 I HN -0.015 nan 8.210 nan 0.000 0.430 83 K N 2.881 123.287 120.400 0.010 0.000 2.509 83 K HA 0.341 4.661 4.320 0.000 0.000 0.266 83 K C -1.101 175.522 176.600 0.039 0.000 0.987 83 K CA -0.976 55.322 56.287 0.017 0.000 0.868 83 K CB 2.254 34.763 32.500 0.015 0.000 1.421 83 K HN 0.497 nan 8.250 nan 0.000 0.444 84 E N 0.332 120.548 120.200 0.027 0.000 2.480 84 E HA -0.001 4.349 4.350 0.000 0.000 0.258 84 E C 0.513 177.135 176.600 0.037 0.000 0.984 84 E CA 1.465 57.883 56.400 0.031 0.000 0.930 84 E CB 0.026 29.736 29.700 0.015 0.000 0.936 84 E HN 0.775 nan 8.360 nan 0.000 0.466 85 G N 4.092 112.922 108.800 0.050 0.000 2.232 85 G HA2 -0.218 3.742 3.960 0.000 0.000 0.226 85 G HA3 -0.218 3.742 3.960 0.000 0.000 0.226 85 G C -0.166 174.771 174.900 0.062 0.000 0.996 85 G CA -0.012 45.117 45.100 0.049 0.000 0.626 85 G HN 0.642 nan 8.290 nan 0.000 0.509 86 D N 0.752 121.201 120.400 0.082 0.000 2.449 86 D HA 0.408 5.048 4.640 0.000 0.000 0.236 86 D C 0.735 177.092 176.300 0.096 0.000 1.149 86 D CA 0.164 54.227 54.000 0.104 0.000 0.878 86 D CB 0.673 41.568 40.800 0.159 0.000 1.198 86 D HN 0.215 nan 8.370 nan 0.000 0.446 87 I N 1.328 121.941 120.570 0.072 0.000 2.428 87 I HA 0.131 4.301 4.170 0.000 0.000 0.289 87 I C -0.037 176.070 176.117 -0.018 0.000 1.019 87 I CA -0.277 61.039 61.300 0.028 0.000 1.351 87 I CB 1.283 39.293 38.000 0.017 0.000 1.412 87 I HN -0.006 nan 8.210 nan 0.000 0.513 88 V N 6.794 126.654 119.914 -0.089 0.000 2.483 88 V HA 0.432 4.552 4.120 0.000 0.000 0.297 88 V C -0.123 175.862 176.094 -0.181 0.000 1.027 88 V CA -0.925 61.225 62.300 -0.249 0.000 0.855 88 V CB 1.508 33.133 31.823 -0.330 0.000 0.995 88 V HN 0.593 nan 8.190 nan 0.000 0.424 89 K N 3.916 124.210 120.400 -0.176 0.000 2.207 89 K HA 0.655 4.975 4.320 0.000 0.000 0.255 89 K C -0.238 176.298 176.600 -0.107 0.000 0.941 89 K CA -0.855 55.367 56.287 -0.108 0.000 0.825 89 K CB 2.276 34.737 32.500 -0.065 0.000 1.119 89 K HN 0.585 nan 8.250 nan 0.000 0.430 90 R N 0.092 120.547 120.500 -0.075 0.000 2.615 90 R HA 0.071 4.411 4.340 0.000 0.000 0.270 90 R C 1.154 177.432 176.300 -0.036 0.000 1.081 90 R CA -0.013 56.053 56.100 -0.056 0.000 1.154 90 R CB 0.439 30.714 30.300 -0.042 0.000 1.063 90 R HN 0.757 nan 8.270 nan 0.000 0.519 91 T N -2.659 111.882 114.554 -0.022 0.000 2.985 91 T HA 0.167 4.517 4.350 0.000 0.000 0.254 91 T C 1.329 176.026 174.700 -0.005 0.000 1.021 91 T CA 0.310 62.404 62.100 -0.009 0.000 0.957 91 T CB 0.471 69.341 68.868 0.004 0.000 1.047 91 T HN 0.820 nan 8.240 nan 0.000 0.511 92 G N 1.452 110.248 108.800 -0.007 0.000 2.175 92 G HA2 -0.051 3.909 3.960 0.000 0.000 0.265 92 G HA3 -0.051 3.909 3.960 0.000 0.000 0.265 92 G C 0.233 175.133 174.900 0.001 0.000 0.979 92 G CA 0.089 45.186 45.100 -0.005 0.000 0.663 92 G HN 1.370 nan 8.290 nan 0.000 0.533 93 A N 0.385 123.208 122.820 0.005 0.000 2.318 93 A HA 0.748 5.068 4.320 0.000 0.000 0.324 93 A C 0.352 177.946 177.584 0.016 0.000 1.170 93 A CA -0.743 51.299 52.037 0.008 0.000 0.810 93 A CB 0.839 19.842 19.000 0.006 0.000 1.198 93 A HN 0.475 nan 8.150 nan 0.000 0.484 94 I N 2.382 122.961 120.570 0.014 0.000 2.710 94 I HA -0.023 4.147 4.170 0.000 0.000 0.286 94 I C 0.802 176.931 176.117 0.020 0.000 1.181 94 I CA 0.073 61.385 61.300 0.020 0.000 1.430 94 I CB 0.388 38.396 38.000 0.013 0.000 1.367 94 I HN 0.405 nan 8.210 nan 0.000 0.577 95 V N 7.432 127.368 119.914 0.036 0.000 2.717 95 V HA -0.112 4.008 4.120 0.000 0.000 0.302 95 V C 0.275 176.362 176.094 -0.013 0.000 1.097 95 V CA 0.488 62.803 62.300 0.025 0.000 1.262 95 V CB -0.762 31.095 31.823 0.057 0.000 0.846 95 V HN 0.924 nan 8.190 nan 0.000 0.485 96 D N 3.863 124.248 120.400 -0.026 0.000 2.652 96 D HA 0.763 5.403 4.640 0.000 0.000 0.285 96 D C -0.640 175.631 176.300 -0.049 0.000 1.173 96 D CA -0.568 53.413 54.000 -0.032 0.000 0.981 96 D CB 2.134 42.923 40.800 -0.018 0.000 1.440 96 D HN 0.543 nan 8.370 nan 0.000 0.485 97 V N -5.433 114.455 119.914 -0.043 0.000 3.049 97 V HA 0.687 4.807 4.120 0.000 0.000 0.309 97 V C -2.978 173.087 176.094 -0.048 0.000 1.148 97 V CA -2.332 59.938 62.300 -0.050 0.000 0.990 97 V CB 1.580 33.370 31.823 -0.054 0.000 1.039 97 V HN 0.440 nan 8.190 nan 0.000 0.430 98 P HA 0.269 nan 4.420 nan 0.000 0.267 98 P C -0.713 176.531 177.300 -0.094 0.000 1.195 98 P CA 0.304 63.364 63.100 -0.068 0.000 0.773 98 P CB 0.529 32.192 31.700 -0.061 0.000 0.837 99 V N 1.209 121.034 119.914 -0.149 0.000 3.000 99 V HA 0.813 4.933 4.120 0.000 0.000 0.300 99 V C 0.105 175.904 176.094 -0.492 0.000 1.251 99 V CA 0.250 62.402 62.300 -0.246 0.000 0.972 99 V CB 2.097 33.822 31.823 -0.163 0.000 1.065 99 V HN 0.991 nan 8.190 nan 0.000 0.431 100 G N 2.574 110.864 108.800 -0.851 0.000 2.339 100 G HA2 0.096 4.056 3.960 0.000 0.000 0.381 100 G HA3 0.096 4.056 3.960 0.000 0.000 0.381 100 G C -0.079 174.382 174.900 -0.731 0.000 1.400 100 G CA -0.117 44.214 45.100 -1.283 0.000 1.002 100 G HN 0.658 nan 8.290 nan 0.000 0.633 101 E N 0.215 120.094 120.200 -0.535 0.000 2.331 101 E HA -0.146 4.204 4.350 0.000 0.000 0.199 101 E C 1.742 178.321 176.600 -0.035 0.000 1.008 101 E CA 1.249 57.588 56.400 -0.102 0.000 0.843 101 E CB 0.064 29.779 29.700 0.025 0.000 0.761 101 E HN 0.624 nan 8.360 nan 0.000 0.507 102 E N 0.665 120.804 120.200 -0.101 0.000 2.505 102 E HA -0.101 4.249 4.350 0.000 0.000 0.197 102 E C 1.291 177.871 176.600 -0.033 0.000 1.111 102 E CA 0.383 56.754 56.400 -0.048 0.000 0.887 102 E CB -0.025 29.640 29.700 -0.057 0.000 0.913 102 E HN 0.273 nan 8.360 nan 0.000 0.517 103 L N 0.215 121.423 121.223 -0.025 0.000 2.513 103 L HA 0.177 4.517 4.340 0.000 0.000 0.222 103 L C 1.058 177.956 176.870 0.048 0.000 1.096 103 L CA 0.144 54.986 54.840 0.003 0.000 0.857 103 L CB -0.135 41.921 42.059 -0.006 0.000 1.026 103 L HN 0.045 nan 8.230 nan 0.000 0.469 104 L N 0.352 121.629 121.223 0.091 0.000 2.543 104 L HA 0.084 4.424 4.340 0.000 0.000 0.285 104 L C 1.616 178.522 176.870 0.060 0.000 1.236 104 L CA 0.890 55.799 54.840 0.115 0.000 0.871 104 L CB -0.363 41.809 42.059 0.189 0.000 1.121 104 L HN 0.471 nan 8.230 nan 0.000 0.501 105 G N 1.419 110.238 108.800 0.032 0.000 2.196 105 G HA2 -0.260 3.700 3.960 0.000 0.000 0.268 105 G HA3 -0.260 3.700 3.960 0.000 0.000 0.268 105 G C 0.456 175.354 174.900 -0.003 0.000 0.975 105 G CA 0.081 45.177 45.100 -0.006 0.000 0.648 105 G HN 0.482 nan 8.290 nan 0.000 0.538 106 R N -0.680 119.826 120.500 0.010 0.000 2.674 106 R HA 0.709 5.049 4.340 0.000 0.000 0.266 106 R C -0.136 176.169 176.300 0.010 0.000 1.016 106 R CA -0.911 55.193 56.100 0.006 0.000 1.062 106 R CB 1.348 31.652 30.300 0.006 0.000 1.142 106 R HN 0.242 nan 8.270 nan 0.000 0.517 107 V N 2.349 122.268 119.914 0.008 0.000 2.349 107 V HA 0.340 4.460 4.120 0.000 0.000 0.284 107 V C 0.072 176.175 176.094 0.015 0.000 1.014 107 V CA -0.754 61.556 62.300 0.015 0.000 0.826 107 V CB 1.366 33.197 31.823 0.013 0.000 1.009 107 V HN 0.546 nan 8.190 nan 0.000 0.431 108 V N 1.193 121.118 119.914 0.018 0.000 3.103 108 V HA 0.806 4.926 4.120 0.000 0.000 0.318 108 V C -0.085 176.018 176.094 0.015 0.000 1.114 108 V CA -0.850 61.457 62.300 0.011 0.000 1.020 108 V CB 1.978 33.803 31.823 0.002 0.000 1.085 108 V HN 0.755 nan 8.190 nan 0.000 0.446 109 D N 1.168 121.573 120.400 0.010 0.000 2.469 109 D HA 0.493 5.133 4.640 0.000 0.000 0.278 109 D C 1.144 177.441 176.300 -0.005 0.000 1.231 109 D CA 0.048 54.055 54.000 0.012 0.000 1.075 109 D CB 0.781 41.592 40.800 0.019 0.000 1.121 109 D HN 0.724 nan 8.370 nan 0.000 0.571 110 A N -0.922 121.891 122.820 -0.012 0.000 2.014 110 A HA 0.014 4.334 4.320 0.000 0.000 0.218 110 A C 2.281 179.806 177.584 -0.098 0.000 1.163 110 A CA 0.760 52.767 52.037 -0.049 0.000 0.652 110 A CB -0.856 18.114 19.000 -0.049 0.000 0.808 110 A HN 0.499 nan 8.150 nan 0.000 0.449 111 L N -1.511 119.661 121.223 -0.085 0.000 2.554 111 L HA 0.188 4.528 4.340 0.000 0.000 0.226 111 L C 1.748 178.581 176.870 -0.062 0.000 1.137 111 L CA 0.627 55.406 54.840 -0.102 0.000 0.863 111 L CB -0.051 41.969 42.059 -0.066 0.000 0.985 111 L HN 0.557 nan 8.230 nan 0.000 0.451 112 G N -0.499 108.276 108.800 -0.041 0.000 2.175 112 G HA2 -0.247 3.713 3.960 0.000 0.000 0.244 112 G HA3 -0.247 3.713 3.960 0.000 0.000 0.244 112 G C 0.094 174.983 174.900 -0.019 0.000 0.982 112 G CA -0.280 44.802 45.100 -0.030 0.000 0.641 112 G HN 0.365 nan 8.290 nan 0.000 0.527 113 N N 1.201 119.894 118.700 -0.012 0.000 2.492 113 N HA 0.455 5.195 4.740 0.000 0.000 0.262 113 N C 0.628 176.139 175.510 0.000 0.000 1.202 113 N CA 0.766 53.815 53.050 -0.002 0.000 0.926 113 N CB 1.085 39.576 38.487 0.007 0.000 1.078 113 N HN 0.764 nan 8.380 nan 0.000 0.454 114 A N 1.754 124.574 122.820 0.000 0.000 2.440 114 A HA 0.346 4.666 4.320 0.000 0.000 0.251 114 A C 1.168 178.756 177.584 0.006 0.000 1.089 114 A CA -0.378 51.660 52.037 0.002 0.000 0.779 114 A CB -0.341 18.658 19.000 -0.000 0.000 1.022 114 A HN 0.809 nan 8.150 nan 0.000 0.492 115 I N -1.161 119.414 120.570 0.008 0.000 4.102 115 I HA 0.261 4.431 4.170 0.000 0.000 0.325 115 I C 0.134 176.256 176.117 0.008 0.000 1.471 115 I CA -0.163 61.143 61.300 0.011 0.000 1.133 115 I CB 0.606 38.616 38.000 0.016 0.000 1.184 115 I HN 0.408 nan 8.210 nan 0.000 0.451 116 D N 1.080 121.483 120.400 0.005 0.000 2.328 116 D HA 0.190 4.830 4.640 0.000 0.000 0.221 116 D C 1.720 178.020 176.300 -0.001 0.000 1.072 116 D CA 0.467 54.468 54.000 0.001 0.000 0.850 116 D CB 0.176 40.975 40.800 -0.002 0.000 0.922 116 D HN 0.440 nan 8.370 nan 0.000 0.516 117 G N 1.076 109.877 108.800 0.001 0.000 2.220 117 G HA2 -0.384 3.576 3.960 0.000 0.000 0.269 117 G HA3 -0.384 3.576 3.960 0.000 0.000 0.269 117 G C 0.602 175.501 174.900 -0.001 0.000 0.977 117 G CA 0.406 45.507 45.100 0.001 0.000 0.634 117 G HN 0.480 nan 8.290 nan 0.000 0.539 118 K N 1.339 121.738 120.400 -0.002 0.000 3.226 118 K HA 0.456 4.776 4.320 0.000 0.000 0.268 118 K C 1.444 178.043 176.600 -0.002 0.000 1.217 118 K CA 0.167 56.453 56.287 -0.003 0.000 1.242 118 K CB -0.096 32.401 32.500 -0.004 0.000 1.389 118 K HN 1.251 nan 8.250 nan 0.000 0.406 119 G N 2.536 111.336 108.800 -0.001 0.000 2.692 119 G HA2 -0.262 3.698 3.960 0.000 0.000 0.248 119 G HA3 -0.262 3.698 3.960 0.000 0.000 0.248 119 G C -2.462 172.437 174.900 -0.002 0.000 1.340 119 G CA -1.055 44.044 45.100 -0.001 0.000 0.896 119 G HN 0.236 nan 8.290 nan 0.000 0.570 120 P HA 0.488 nan 4.420 nan 0.000 0.272 120 P C 0.123 177.417 177.300 -0.010 0.000 1.240 120 P CA -0.494 62.603 63.100 -0.006 0.000 0.791 120 P CB 0.406 32.103 31.700 -0.006 0.000 0.978 121 I N 0.576 121.137 120.570 -0.015 0.000 2.353 121 I HA 0.227 4.397 4.170 0.000 0.000 0.293 121 I C 1.391 177.491 176.117 -0.027 0.000 0.992 121 I CA -0.232 61.055 61.300 -0.022 0.000 1.268 121 I CB 0.640 38.623 38.000 -0.029 0.000 1.387 121 I HN 0.468 nan 8.210 nan 0.000 0.478 122 G N 3.994 112.776 108.800 -0.029 0.000 3.574 122 G HA2 0.057 4.017 3.960 0.000 0.000 0.262 122 G HA3 0.057 4.017 3.960 0.000 0.000 0.262 122 G C 0.511 175.383 174.900 -0.048 0.000 1.231 122 G CA -0.116 44.966 45.100 -0.031 0.000 1.608 122 G HN 0.560 nan 8.290 nan 0.000 0.628 123 S N -0.443 115.222 115.700 -0.059 0.000 2.533 123 S HA 0.190 4.660 4.470 0.000 0.000 0.282 123 S C 1.303 175.861 174.600 -0.070 0.000 1.304 123 S CA -0.108 58.039 58.200 -0.087 0.000 1.063 123 S CB 0.829 63.969 63.200 -0.100 0.000 0.881 123 S HN 0.485 nan 8.310 nan 0.000 0.493 124 K N 2.300 122.654 120.400 -0.077 0.000 2.353 124 K HA 0.374 4.694 4.320 0.000 0.000 0.195 124 K C 0.035 176.606 176.600 -0.048 0.000 1.031 124 K CA 0.091 56.348 56.287 -0.051 0.000 1.079 124 K CB 0.755 33.231 32.500 -0.039 0.000 0.857 124 K HN 0.580 nan 8.250 nan 0.000 0.535 125 A N 1.047 123.823 122.820 -0.073 0.000 2.475 125 A HA 0.668 4.988 4.320 0.000 0.000 0.301 125 A C -1.101 176.444 177.584 -0.066 0.000 1.059 125 A CA -0.867 51.137 52.037 -0.055 0.000 0.710 125 A CB 1.245 20.227 19.000 -0.031 0.000 1.288 125 A HN 0.087 nan 8.150 nan 0.000 0.408 126 R N 0.250 120.728 120.500 -0.037 0.000 2.803 126 R HA 0.777 5.117 4.340 0.000 0.000 0.276 126 R C -0.560 175.729 176.300 -0.017 0.000 0.978 126 R CA -0.834 55.245 56.100 -0.035 0.000 0.939 126 R CB 2.506 32.789 30.300 -0.028 0.000 1.179 126 R HN 0.747 nan 8.270 nan 0.000 0.472 127 R N 0.937 121.427 120.500 -0.017 0.000 2.673 127 R HA 0.334 4.674 4.340 0.000 0.000 0.281 127 R C -0.766 175.531 176.300 -0.006 0.000 0.991 127 R CA -0.815 55.285 56.100 -0.001 0.000 0.896 127 R CB 1.776 32.085 30.300 0.015 0.000 1.201 127 R HN 0.512 nan 8.270 nan 0.000 0.457 128 R N 1.700 122.198 120.500 -0.002 0.000 2.537 128 R HA 0.005 4.345 4.340 0.000 0.000 0.280 128 R C 1.450 177.744 176.300 -0.010 0.000 1.058 128 R CA 0.155 56.250 56.100 -0.009 0.000 1.057 128 R CB 0.898 31.194 30.300 -0.006 0.000 0.973 128 R HN 0.568 nan 8.270 nan 0.000 0.438 129 V N 0.777 120.676 119.914 -0.026 0.000 2.871 129 V HA 0.071 4.191 4.120 0.000 0.000 0.256 129 V C 1.115 177.179 176.094 -0.049 0.000 1.082 129 V CA 1.700 63.987 62.300 -0.022 0.000 1.105 129 V CB -0.008 31.786 31.823 -0.049 0.000 0.713 129 V HN 0.828 nan 8.190 nan 0.000 0.473 130 G N 0.579 109.331 108.800 -0.081 0.000 3.959 130 G HA2 0.468 4.428 3.960 0.000 0.000 0.298 130 G HA3 0.468 4.428 3.960 0.000 0.000 0.298 130 G C 0.133 174.999 174.900 -0.055 0.000 1.211 130 G CA -0.484 44.546 45.100 -0.116 0.000 1.001 130 G HN 0.443 nan 8.290 nan 0.000 0.561 131 L N 0.513 121.724 121.223 -0.020 0.000 2.461 131 L HA 0.227 4.567 4.340 0.000 0.000 0.272 131 L C 0.885 177.754 176.870 -0.001 0.000 1.197 131 L CA -0.319 54.519 54.840 -0.003 0.000 0.836 131 L CB 0.903 42.967 42.059 0.009 0.000 1.105 131 L HN 0.117 nan 8.230 nan 0.000 0.477 132 K N 2.588 122.992 120.400 0.007 0.000 2.249 132 K HA 0.455 4.775 4.320 0.000 0.000 0.280 132 K C -0.205 176.402 176.600 0.011 0.000 1.033 132 K CA -0.496 55.799 56.287 0.014 0.000 0.946 132 K CB 1.130 33.645 32.500 0.026 0.000 1.005 132 K HN 0.631 nan 8.250 nan 0.000 0.469 133 A N 5.287 128.113 122.820 0.011 0.000 2.425 133 A HA 0.267 4.587 4.320 0.000 0.000 0.242 133 A C -2.058 175.518 177.584 -0.013 0.000 1.077 133 A CA -1.183 50.856 52.037 0.003 0.000 0.781 133 A CB -0.588 18.415 19.000 0.006 0.000 1.020 133 A HN 0.717 nan 8.150 nan 0.000 0.494 134 P HA 0.084 nan 4.420 nan 0.000 0.263 134 P C 0.688 177.946 177.300 -0.069 0.000 1.168 134 P CA 0.821 63.875 63.100 -0.077 0.000 0.759 134 P CB 0.172 31.803 31.700 -0.115 0.000 0.782 135 G N 1.629 110.380 108.800 -0.082 0.000 2.494 135 G HA2 0.191 4.151 3.960 0.000 0.000 0.270 135 G HA3 0.191 4.151 3.960 0.000 0.000 0.270 135 G C 1.150 176.006 174.900 -0.074 0.000 1.423 135 G CA -0.669 44.395 45.100 -0.059 0.000 1.055 135 G HN 0.404 nan 8.290 nan 0.000 0.536 136 I N -0.208 120.331 120.570 -0.052 0.000 2.142 136 I HA -0.138 4.032 4.170 0.000 0.000 0.240 136 I C 2.603 178.679 176.117 -0.068 0.000 1.078 136 I CA 0.646 61.918 61.300 -0.046 0.000 1.343 136 I CB -0.208 37.780 38.000 -0.021 0.000 1.046 136 I HN 0.197 nan 8.210 nan 0.000 0.405 137 I N 1.205 121.730 120.570 -0.076 0.000 2.163 137 I HA -0.167 4.003 4.170 0.000 0.000 0.243 137 I C -0.357 175.662 176.117 -0.162 0.000 1.085 137 I CA 1.616 62.874 61.300 -0.069 0.000 1.347 137 I CB -2.679 35.314 38.000 -0.011 0.000 1.044 137 I HN 0.202 nan 8.210 nan 0.000 0.408 138 P HA -0.049 nan 4.420 nan 0.000 0.244 138 P C 0.264 177.355 177.300 -0.349 0.000 1.211 138 P CA 0.739 63.328 63.100 -0.852 0.000 0.760 138 P CB 0.015 30.913 31.700 -1.337 0.000 0.961 139 R N -0.335 120.065 120.500 -0.167 0.000 2.828 139 R HA 0.778 5.118 4.340 0.000 0.000 0.264 139 R C -0.460 175.826 176.300 -0.023 0.000 1.022 139 R CA -0.976 55.077 56.100 -0.078 0.000 1.021 139 R CB 1.782 32.043 30.300 -0.066 0.000 1.163 139 R HN -0.044 nan 8.270 nan 0.000 0.494 140 I N -0.375 120.193 120.570 -0.004 0.000 2.841 140 I HA 0.202 4.372 4.170 0.000 0.000 0.298 140 I C -0.630 175.492 176.117 0.007 0.000 1.304 140 I CA -0.364 60.942 61.300 0.011 0.000 1.019 140 I CB 2.327 40.343 38.000 0.027 0.000 1.282 140 I HN 0.825 nan 8.210 nan 0.000 0.432 141 S N 5.325 121.029 115.700 0.006 0.000 2.558 141 S HA 0.302 4.772 4.470 0.000 0.000 0.287 141 S C 0.320 174.920 174.600 0.000 0.000 1.321 141 S CA -0.309 57.892 58.200 0.003 0.000 1.048 141 S CB 0.531 63.733 63.200 0.003 0.000 0.844 141 S HN 1.089 nan 8.310 nan 0.000 0.512 142 V N 1.068 120.978 119.914 -0.006 0.000 2.999 142 V HA 0.489 4.609 4.120 0.000 0.000 0.307 142 V C 1.139 177.221 176.094 -0.019 0.000 1.084 142 V CA -0.018 62.272 62.300 -0.017 0.000 1.155 142 V CB 0.354 32.161 31.823 -0.026 0.000 0.975 142 V HN 1.188 nan 8.190 nan 0.000 0.490 143 R N 0.436 120.916 120.500 -0.032 0.000 2.371 143 R HA 0.256 4.596 4.340 0.000 0.000 0.261 143 R C -0.394 175.876 176.300 -0.051 0.000 0.768 143 R CA -0.272 55.810 56.100 -0.030 0.000 0.992 143 R CB -0.094 30.197 30.300 -0.015 0.000 1.687 143 R HN 0.782 nan 8.270 nan 0.000 0.463 144 E N 4.214 124.363 120.200 -0.086 0.000 2.151 144 E HA 0.394 4.744 4.350 0.000 0.000 0.275 144 E C -2.574 173.938 176.600 -0.147 0.000 0.936 144 E CA -2.411 53.910 56.400 -0.132 0.000 0.777 144 E CB 1.759 31.329 29.700 -0.217 0.000 1.108 144 E HN -0.011 nan 8.360 nan 0.000 0.401 145 P HA -0.064 nan 4.420 nan 0.000 0.264 145 P C -0.489 176.703 177.300 -0.181 0.000 1.193 145 P CA 0.010 63.041 63.100 -0.116 0.000 0.763 145 P CB 0.430 32.084 31.700 -0.076 0.000 0.810 146 M N 3.950 123.459 119.600 -0.152 0.000 3.145 146 M HA 0.121 4.601 4.480 0.000 0.000 0.254 146 M C -0.281 175.945 176.300 -0.123 0.000 1.264 146 M CA -0.592 54.598 55.300 -0.183 0.000 1.293 146 M CB -0.578 31.939 32.600 -0.138 0.000 1.170 146 M HN 0.284 nan 8.290 nan 0.000 0.572 147 Q N 1.388 121.116 119.800 -0.120 0.000 2.286 147 Q HA 0.033 4.373 4.340 0.000 0.000 0.290 147 Q C 1.218 177.237 176.000 0.031 0.000 1.049 147 Q CA 0.664 56.469 55.803 0.004 0.000 0.923 147 Q CB 0.374 29.197 28.738 0.142 0.000 1.183 147 Q HN 0.698 nan 8.270 nan 0.000 0.383 148 T N -1.643 112.932 114.554 0.036 0.000 3.037 148 T HA 0.225 4.575 4.350 0.000 0.000 0.252 148 T C 1.241 175.975 174.700 0.056 0.000 1.073 148 T CA 0.505 62.627 62.100 0.037 0.000 1.091 148 T CB 0.293 69.175 68.868 0.023 0.000 0.935 148 T HN 0.797 nan 8.240 nan 0.000 0.488 149 G N 1.570 110.406 108.800 0.060 0.000 2.225 149 G HA2 -0.202 3.758 3.960 0.000 0.000 0.254 149 G HA3 -0.202 3.758 3.960 0.000 0.000 0.254 149 G C 0.020 174.938 174.900 0.029 0.000 0.988 149 G CA 0.053 45.182 45.100 0.048 0.000 0.625 149 G HN 0.645 nan 8.290 nan 0.000 0.527 150 I N 1.577 122.164 120.570 0.027 0.000 2.315 150 I HA 0.257 4.427 4.170 0.000 0.000 0.291 150 I C 1.628 177.758 176.117 0.022 0.000 1.006 150 I CA -0.736 60.575 61.300 0.019 0.000 1.265 150 I CB 1.319 39.329 38.000 0.016 0.000 1.387 150 I HN 0.022 nan 8.210 nan 0.000 0.475 151 K N 4.702 125.115 120.400 0.021 0.000 2.001 151 K HA -0.232 4.088 4.320 0.000 0.000 0.214 151 K C 2.091 178.708 176.600 0.027 0.000 1.050 151 K CA 1.785 58.087 56.287 0.025 0.000 0.934 151 K CB -0.312 32.204 32.500 0.027 0.000 0.718 151 K HN 0.792 nan 8.250 nan 0.000 0.443 152 A N 1.315 124.152 122.820 0.027 0.000 1.917 152 A HA -0.174 4.146 4.320 0.000 0.000 0.219 152 A C 2.469 180.072 177.584 0.032 0.000 1.182 152 A CA 2.012 54.068 52.037 0.032 0.000 0.633 152 A CB -0.822 18.199 19.000 0.035 0.000 0.819 152 A HN 0.123 nan 8.150 nan 0.000 0.448 153 V N 0.266 120.197 119.914 0.028 0.000 2.283 153 V HA -0.170 3.950 4.120 0.000 0.000 0.243 153 V C 1.994 178.102 176.094 0.023 0.000 1.039 153 V CA 2.002 64.317 62.300 0.026 0.000 1.016 153 V CB -0.901 30.935 31.823 0.022 0.000 0.650 153 V HN 0.452 nan 8.190 nan 0.000 0.449 154 D N 0.683 121.097 120.400 0.023 0.000 2.263 154 D HA -0.101 4.539 4.640 0.000 0.000 0.208 154 D C 2.356 178.669 176.300 0.023 0.000 0.971 154 D CA 1.640 55.653 54.000 0.021 0.000 0.867 154 D CB -0.077 40.738 40.800 0.026 0.000 0.929 154 D HN 0.631 nan 8.370 nan 0.000 0.492 155 S N -0.388 115.327 115.700 0.026 0.000 2.398 155 S HA 0.055 4.525 4.470 0.000 0.000 0.220 155 S C 1.989 176.605 174.600 0.027 0.000 1.046 155 S CA 0.090 58.307 58.200 0.028 0.000 0.953 155 S CB -0.364 62.856 63.200 0.032 0.000 0.856 155 S HN 0.178 nan 8.310 nan 0.000 0.506 156 L N 1.044 122.284 121.223 0.028 0.000 2.463 156 L HA 0.375 4.715 4.340 0.000 0.000 0.219 156 L C 0.049 176.936 176.870 0.028 0.000 1.088 156 L CA 0.084 54.942 54.840 0.029 0.000 0.849 156 L CB 0.353 42.433 42.059 0.035 0.000 1.012 156 L HN 0.181 nan 8.230 nan 0.000 0.468 157 V N 0.323 120.253 119.914 0.026 0.000 2.575 157 V HA 0.226 4.346 4.120 0.000 0.000 0.281 157 V C -2.460 173.644 176.094 0.016 0.000 1.087 157 V CA -1.162 61.152 62.300 0.024 0.000 1.193 157 V CB 0.218 32.059 31.823 0.032 0.000 1.426 157 V HN -0.015 nan 8.190 nan 0.000 0.623 158 P HA 0.110 nan 4.420 nan 0.000 0.260 158 P C -0.349 176.948 177.300 -0.004 0.000 1.185 158 P CA 0.440 63.543 63.100 0.004 0.000 0.763 158 P CB 0.759 32.461 31.700 0.004 0.000 0.776 159 I N 2.758 123.321 120.570 -0.012 0.000 2.499 159 I HA 0.539 4.709 4.170 0.000 0.000 0.296 159 I C 1.264 177.356 176.117 -0.041 0.000 0.992 159 I CA -0.746 60.540 61.300 -0.023 0.000 1.297 159 I CB 0.692 38.676 38.000 -0.026 0.000 1.410 159 I HN 0.337 nan 8.210 nan 0.000 0.507 160 G N 3.840 112.613 108.800 -0.045 0.000 2.481 160 G HA2 0.573 4.533 3.960 0.000 0.000 0.315 160 G HA3 0.573 4.533 3.960 0.000 0.000 0.315 160 G C -0.623 174.230 174.900 -0.078 0.000 1.231 160 G CA -0.907 44.155 45.100 -0.064 0.000 0.968 160 G HN 0.464 nan 8.290 nan 0.000 0.482 161 R N 0.109 120.538 120.500 -0.119 0.000 2.404 161 R HA 0.425 4.765 4.340 0.000 0.000 0.315 161 R C 1.290 177.550 176.300 -0.067 0.000 1.032 161 R CA 1.645 57.664 56.100 -0.134 0.000 0.992 161 R CB 0.633 30.767 30.300 -0.277 0.000 0.959 161 R HN 1.126 nan 8.270 nan 0.000 0.428 162 G N 1.929 110.710 108.800 -0.031 0.000 2.253 162 G HA2 -0.278 3.682 3.960 0.000 0.000 0.209 162 G HA3 -0.278 3.682 3.960 0.000 0.000 0.209 162 G C 0.128 175.025 174.900 -0.004 0.000 0.997 162 G CA -0.006 45.093 45.100 -0.001 0.000 0.640 162 G HN 0.592 nan 8.290 nan 0.000 0.496 163 Q N 0.472 120.263 119.800 -0.015 0.000 2.443 163 Q HA 0.633 4.973 4.340 0.000 0.000 0.232 163 Q C -0.196 175.802 176.000 -0.003 0.000 1.026 163 Q CA -0.160 55.638 55.803 -0.009 0.000 0.924 163 Q CB 0.400 29.129 28.738 -0.015 0.000 1.256 163 Q HN 0.293 nan 8.270 nan 0.000 0.519 164 R N 1.987 122.488 120.500 0.002 0.000 2.393 164 R HA 0.346 4.686 4.340 0.000 0.000 0.315 164 R C -1.435 174.867 176.300 0.003 0.000 0.952 164 R CA -0.565 55.539 56.100 0.006 0.000 0.842 164 R CB 1.660 31.964 30.300 0.008 0.000 1.163 164 R HN 0.595 nan 8.270 nan 0.000 0.450 165 E N 2.769 122.969 120.200 0.001 0.000 2.216 165 E HA 0.296 4.646 4.350 0.000 0.000 0.260 165 E C -1.384 175.217 176.600 0.001 0.000 0.880 165 E CA -0.925 55.477 56.400 0.003 0.000 0.765 165 E CB 0.926 30.626 29.700 0.001 0.000 1.174 165 E HN 0.357 nan 8.360 nan 0.000 0.417 166 L N 5.312 126.537 121.223 0.003 0.000 2.426 166 L HA 0.440 4.780 4.340 0.000 0.000 0.271 166 L C -0.900 175.970 176.870 0.000 0.000 1.169 166 L CA 0.228 55.065 54.840 -0.005 0.000 0.836 166 L CB 0.528 42.587 42.059 0.000 0.000 1.112 166 L HN 0.692 nan 8.230 nan 0.000 0.465 167 I N 6.789 127.350 120.570 -0.014 0.000 2.354 167 I HA 0.394 4.564 4.170 0.000 0.000 0.286 167 I C -0.401 175.691 176.117 -0.043 0.000 1.007 167 I CA -0.071 61.216 61.300 -0.020 0.000 1.167 167 I CB 1.215 39.203 38.000 -0.020 0.000 1.320 167 I HN 0.533 nan 8.210 nan 0.000 0.458 168 I N 5.596 126.133 120.570 -0.054 0.000 2.498 168 I HA 0.883 5.053 4.170 0.000 0.000 0.290 168 I C -0.183 175.781 176.117 -0.256 0.000 1.032 168 I CA 0.038 61.289 61.300 -0.082 0.000 1.073 168 I CB 1.668 39.679 38.000 0.019 0.000 1.251 168 I HN 0.664 nan 8.210 nan 0.000 0.426 169 G N 4.817 113.458 108.800 -0.265 0.000 2.451 169 G HA2 0.241 4.201 3.960 0.000 0.000 0.292 169 G HA3 0.241 4.201 3.960 0.000 0.000 0.292 169 G C -1.903 172.850 174.900 -0.245 0.000 1.427 169 G CA -0.674 44.172 45.100 -0.425 0.000 0.792 169 G HN 0.469 nan 8.290 nan 0.000 0.498 170 D N 0.021 120.267 120.400 -0.257 0.000 2.393 170 D HA 0.374 5.014 4.640 0.000 0.000 0.246 170 D C 1.262 177.463 176.300 -0.166 0.000 1.275 170 D CA -0.194 53.709 54.000 -0.161 0.000 0.979 170 D CB 0.473 41.179 40.800 -0.157 0.000 1.101 170 D HN 0.650 nan 8.370 nan 0.000 0.505 171 R N 0.368 120.801 120.500 -0.112 0.000 2.756 171 R HA 0.010 4.350 4.340 0.000 0.000 0.264 171 R C -0.250 175.943 176.300 -0.178 0.000 1.026 171 R CA -0.215 55.824 56.100 -0.103 0.000 1.121 171 R CB 0.067 30.340 30.300 -0.045 0.000 0.999 171 R HN 0.246 nan 8.270 nan 0.000 0.449 172 Q N -0.083 119.606 119.800 -0.185 0.000 2.435 172 Q HA -0.166 4.174 4.340 0.000 0.000 0.312 172 Q C 0.154 175.704 176.000 -0.750 0.000 1.333 172 Q CA 1.653 57.270 55.803 -0.310 0.000 0.883 172 Q CB -1.695 26.933 28.738 -0.183 0.000 1.170 172 Q HN 0.988 nan 8.270 nan 0.000 0.443 173 T N -5.029 109.192 114.554 -0.554 0.000 3.085 173 T HA 0.446 4.796 4.350 0.000 0.000 0.264 173 T C 1.125 175.721 174.700 -0.174 0.000 1.019 173 T CA 0.652 62.373 62.100 -0.633 0.000 0.910 173 T CB 1.008 69.644 68.868 -0.386 0.000 1.059 173 T HN 0.850 nan 8.240 nan 0.000 0.542 174 G N 1.769 110.521 108.800 -0.080 0.000 2.130 174 G HA2 -0.273 3.687 3.960 0.000 0.000 0.216 174 G HA3 -0.273 3.687 3.960 0.000 0.000 0.216 174 G C 0.673 175.590 174.900 0.027 0.000 0.999 174 G CA 0.326 45.488 45.100 0.103 0.000 0.686 174 G HN 0.540 nan 8.290 nan 0.000 0.515 175 K N -0.318 120.066 120.400 -0.027 0.000 1.977 175 K HA -0.084 4.236 4.320 0.000 0.000 0.218 175 K C 2.677 179.288 176.600 0.018 0.000 1.051 175 K CA 2.152 58.426 56.287 -0.022 0.000 0.953 175 K CB -0.559 31.914 32.500 -0.045 0.000 0.727 175 K HN 0.277 nan 8.250 nan 0.000 0.445 176 T N 0.715 115.294 114.554 0.041 0.000 2.649 176 T HA -0.251 4.099 4.350 0.000 0.000 0.268 176 T C 2.064 176.804 174.700 0.066 0.000 1.036 176 T CA 1.832 63.986 62.100 0.090 0.000 1.157 176 T CB -0.482 68.452 68.868 0.110 0.000 0.861 176 T HN 0.227 nan 8.240 nan 0.000 0.445 177 S N 0.247 115.967 115.700 0.032 0.000 2.380 177 S HA -0.133 4.337 4.470 0.000 0.000 0.229 177 S C 1.958 176.555 174.600 -0.005 0.000 1.043 177 S CA 1.022 59.215 58.200 -0.012 0.000 1.038 177 S CB -0.444 62.735 63.200 -0.034 0.000 0.872 177 S HN 0.372 nan 8.310 nan 0.000 0.456 178 I N 1.385 121.963 120.570 0.013 0.000 2.286 178 I HA -0.170 4.000 4.170 0.000 0.000 0.248 178 I C 2.643 178.780 176.117 0.034 0.000 1.115 178 I CA 1.304 62.614 61.300 0.017 0.000 1.392 178 I CB -1.698 36.311 38.000 0.016 0.000 1.065 178 I HN 0.312 nan 8.210 nan 0.000 0.418 179 A N 1.766 124.621 122.820 0.059 0.000 1.835 179 A HA -0.170 4.150 4.320 0.000 0.000 0.215 179 A C 2.157 179.793 177.584 0.085 0.000 1.199 179 A CA 1.306 53.397 52.037 0.091 0.000 0.615 179 A CB -0.708 18.395 19.000 0.172 0.000 0.838 179 A HN 0.254 nan 8.150 nan 0.000 0.444 180 I N 0.622 121.233 120.570 0.069 0.000 2.315 180 I HA -0.223 3.947 4.170 0.000 0.000 0.251 180 I C 1.480 177.642 176.117 0.075 0.000 1.125 180 I CA 1.766 63.097 61.300 0.051 0.000 1.392 180 I CB -1.661 36.369 38.000 0.050 0.000 1.065 180 I HN 0.279 nan 8.210 nan 0.000 0.424 181 D N -0.006 120.426 120.400 0.052 0.000 2.277 181 D HA -0.073 4.567 4.640 0.000 0.000 0.208 181 D C 2.183 178.524 176.300 0.069 0.000 0.962 181 D CA 0.830 54.864 54.000 0.057 0.000 0.865 181 D CB 0.111 40.921 40.800 0.017 0.000 0.939 181 D HN 0.181 nan 8.370 nan 0.000 0.510 182 T N 0.123 114.715 114.554 0.063 0.000 2.812 182 T HA 0.004 4.354 4.350 0.000 0.000 0.264 182 T C 2.031 176.785 174.700 0.089 0.000 1.042 182 T CA 0.478 62.616 62.100 0.064 0.000 1.140 182 T CB 0.000 68.893 68.868 0.041 0.000 0.870 182 T HN 0.112 nan 8.240 nan 0.000 0.445 183 I N 0.720 121.354 120.570 0.107 0.000 2.090 183 I HA -0.140 4.030 4.170 0.000 0.000 0.236 183 I C 2.256 178.517 176.117 0.241 0.000 1.064 183 I CA 1.369 62.769 61.300 0.167 0.000 1.324 183 I CB -0.450 37.630 38.000 0.134 0.000 1.044 183 I HN 0.179 nan 8.210 nan 0.000 0.399 184 I N 1.169 121.841 120.570 0.170 0.000 2.181 184 I HA -0.403 3.767 4.170 0.000 0.000 0.247 184 I C 2.301 178.525 176.117 0.178 0.000 1.081 184 I CA 2.218 63.621 61.300 0.171 0.000 1.340 184 I CB -0.688 37.382 38.000 0.117 0.000 1.036 184 I HN 0.408 nan 8.210 nan 0.000 0.417 185 N N 0.342 119.124 118.700 0.137 0.000 2.364 185 N HA -0.223 4.517 4.740 0.000 0.000 0.183 185 N C 1.828 177.433 175.510 0.157 0.000 1.022 185 N CA 1.024 54.142 53.050 0.114 0.000 0.883 185 N CB 0.084 38.640 38.487 0.114 0.000 0.965 185 N HN 0.249 nan 8.380 nan 0.000 0.438 186 Q N 0.838 120.738 119.800 0.166 0.000 2.124 186 Q HA -0.166 4.174 4.340 0.000 0.000 0.202 186 Q C 1.752 177.736 176.000 -0.027 0.000 0.977 186 Q CA 0.981 56.865 55.803 0.135 0.000 0.850 186 Q CB -0.483 28.141 28.738 -0.190 0.000 0.901 186 Q HN 0.541 nan 8.270 nan 0.000 0.429 187 K N 1.267 121.657 120.400 -0.017 0.000 2.184 187 K HA -0.269 4.051 4.320 0.000 0.000 0.210 187 K C 1.952 178.505 176.600 -0.078 0.000 1.048 187 K CA 2.125 58.444 56.287 0.053 0.000 0.931 187 K CB -0.073 32.549 32.500 0.205 0.000 0.718 187 K HN 0.299 nan 8.250 nan 0.000 0.465 188 R N -0.752 119.624 120.500 -0.208 0.000 2.237 188 R HA -0.097 4.243 4.340 0.000 0.000 0.219 188 R C 1.526 177.599 176.300 -0.377 0.000 1.080 188 R CA 1.481 57.378 56.100 -0.338 0.000 0.995 188 R CB -0.285 29.720 30.300 -0.491 0.000 0.875 188 R HN 0.189 nan 8.270 nan 0.000 0.462 189 F N 0.905 120.766 119.950 -0.149 0.000 2.343 189 F HA 0.226 4.753 4.527 -0.000 0.000 0.286 189 F C 1.738 177.423 175.800 -0.192 0.000 1.057 189 F CA -0.080 57.826 58.000 -0.157 0.000 1.365 189 F CB -0.501 38.394 39.000 -0.175 0.000 1.114 189 F HN -0.099 nan 8.300 nan 0.000 0.545 190 N N 0.308 118.952 118.700 -0.093 0.000 2.519 190 N HA -0.118 4.622 4.740 0.000 0.000 0.186 190 N C 0.264 175.730 175.510 -0.073 0.000 1.062 190 N CA 1.005 53.927 53.050 -0.214 0.000 0.910 190 N CB -0.418 37.758 38.487 -0.520 0.000 0.958 190 N HN 0.267 nan 8.380 nan 0.000 0.445 191 D N -0.942 119.435 120.400 -0.039 0.000 2.424 191 D HA 0.189 4.829 4.640 0.000 0.000 0.220 191 D C 1.105 177.397 176.300 -0.012 0.000 1.150 191 D CA -0.045 53.950 54.000 -0.008 0.000 0.831 191 D CB 0.209 41.007 40.800 -0.004 0.000 0.981 191 D HN 0.123 nan 8.370 nan 0.000 0.500 192 G N -0.808 107.986 108.800 -0.010 0.000 2.773 192 G HA2 0.321 4.281 3.960 0.000 0.000 0.186 192 G HA3 0.321 4.281 3.960 0.000 0.000 0.186 192 G C 0.788 175.696 174.900 0.012 0.000 1.411 192 G CA 0.091 45.191 45.100 -0.001 0.000 1.054 192 G HN 0.068 nan 8.290 nan 0.000 0.579 193 T N -0.904 113.662 114.554 0.019 0.000 3.075 193 T HA 0.112 4.462 4.350 0.000 0.000 0.251 193 T C 0.217 174.937 174.700 0.034 0.000 0.979 193 T CA 0.272 62.387 62.100 0.025 0.000 1.033 193 T CB 0.053 68.933 68.868 0.019 0.000 1.104 193 T HN 0.456 nan 8.240 nan 0.000 0.473 194 D N 2.900 123.320 120.400 0.034 0.000 2.348 194 D HA 0.052 4.692 4.640 0.000 0.000 0.259 194 D C 1.058 177.388 176.300 0.049 0.000 1.296 194 D CA 0.068 54.091 54.000 0.039 0.000 0.931 194 D CB 0.515 41.337 40.800 0.037 0.000 1.067 194 D HN 0.024 nan 8.370 nan 0.000 0.503 195 E N 2.977 123.212 120.200 0.059 0.000 2.526 195 E HA -0.172 4.178 4.350 0.000 0.000 0.205 195 E C 0.908 177.557 176.600 0.082 0.000 1.104 195 E CA 0.609 57.057 56.400 0.081 0.000 0.899 195 E CB 0.142 29.903 29.700 0.102 0.000 0.838 195 E HN 0.612 nan 8.360 nan 0.000 0.564 196 K N 0.136 120.581 120.400 0.076 0.000 2.211 196 K HA 0.056 4.376 4.320 0.000 0.000 0.201 196 K C 1.738 178.419 176.600 0.134 0.000 1.052 196 K CA 0.443 56.798 56.287 0.113 0.000 0.973 196 K CB 0.318 32.870 32.500 0.087 0.000 0.766 196 K HN -0.112 nan 8.250 nan 0.000 0.466 197 K N 0.942 121.377 120.400 0.058 0.000 2.404 197 K HA 0.088 4.408 4.320 0.000 0.000 0.194 197 K C 0.027 176.567 176.600 -0.100 0.000 1.023 197 K CA 0.156 56.431 56.287 -0.021 0.000 1.094 197 K CB 0.447 32.983 32.500 0.060 0.000 0.841 197 K HN 0.074 nan 8.250 nan 0.000 0.523 198 K N 0.773 121.144 120.400 -0.049 0.000 2.118 198 K HA 0.254 4.574 4.320 0.000 0.000 0.240 198 K C -0.468 175.974 176.600 -0.264 0.000 1.035 198 K CA -0.384 55.785 56.287 -0.196 0.000 0.899 198 K CB 0.494 32.838 32.500 -0.260 0.000 1.085 198 K HN -0.170 nan 8.250 nan 0.000 0.498 199 L N 1.858 122.804 121.223 -0.462 0.000 2.680 199 L HA 0.243 4.583 4.340 0.000 0.000 0.260 199 L C -1.827 174.765 176.870 -0.462 0.000 0.975 199 L CA -0.232 54.395 54.840 -0.355 0.000 0.920 199 L CB 0.578 42.439 42.059 -0.330 0.000 1.234 199 L HN 0.442 nan 8.230 nan 0.000 0.429 200 Y N 2.686 122.808 120.300 -0.295 0.000 2.336 200 Y HA 0.492 5.042 4.550 0.000 0.000 0.331 200 Y C 0.684 176.437 175.900 -0.245 0.000 1.211 200 Y CA -0.066 57.824 58.100 -0.350 0.000 1.346 200 Y CB 0.808 38.749 38.460 -0.866 0.000 1.271 200 Y HN 0.501 nan 8.280 nan 0.000 0.538 201 C N 4.078 123.418 119.300 0.066 0.000 2.456 201 C HA 0.729 5.189 4.460 0.000 0.000 0.325 201 C C -0.172 174.851 174.990 0.055 0.000 1.217 201 C CA -1.116 57.941 59.018 0.064 0.000 1.687 201 C CB 0.180 28.017 27.740 0.162 0.000 2.270 201 C HN 0.644 nan 8.230 nan 0.000 0.499 202 I N 2.204 122.785 120.570 0.018 0.000 2.478 202 I HA 0.272 4.442 4.170 0.000 0.000 0.287 202 I C -1.153 174.963 176.117 -0.002 0.000 1.042 202 I CA -0.419 60.890 61.300 0.015 0.000 1.067 202 I CB 1.281 39.267 38.000 -0.023 0.000 1.233 202 I HN 0.628 nan 8.210 nan 0.000 0.431 203 Y N 7.160 127.421 120.300 -0.065 0.000 2.402 203 Y HA 0.596 5.146 4.550 -0.000 0.000 0.332 203 Y C -0.829 175.038 175.900 -0.055 0.000 0.960 203 Y CA -0.741 57.319 58.100 -0.068 0.000 1.228 203 Y CB 1.088 39.527 38.460 -0.034 0.000 1.120 203 Y HN 0.260 nan 8.280 nan 0.000 0.491 204 V N 6.141 125.761 119.914 -0.490 0.000 2.383 204 V HA 0.609 4.729 4.120 0.000 0.000 0.275 204 V C 0.113 175.973 176.094 -0.390 0.000 1.036 204 V CA -0.556 61.575 62.300 -0.282 0.000 0.889 204 V CB 0.809 32.555 31.823 -0.129 0.000 0.985 204 V HN 0.895 nan 8.190 nan 0.000 0.459 205 A N 7.049 129.788 122.820 -0.135 0.000 2.253 205 A HA 0.829 5.149 4.320 0.000 0.000 0.316 205 A C -0.543 177.041 177.584 -0.001 0.000 1.327 205 A CA -0.348 51.672 52.037 -0.028 0.000 0.917 205 A CB -0.010 19.103 19.000 0.188 0.000 1.162 205 A HN 0.792 nan 8.150 nan 0.000 0.535 206 I N 2.361 122.923 120.570 -0.012 0.000 2.420 206 I HA 0.556 4.726 4.170 0.000 0.000 0.282 206 I C 1.121 177.262 176.117 0.040 0.000 1.019 206 I CA 0.262 61.572 61.300 0.017 0.000 1.130 206 I CB 1.584 39.586 38.000 0.003 0.000 1.262 206 I HN 0.932 nan 8.210 nan 0.000 0.454 207 G N 3.619 112.452 108.800 0.056 0.000 2.199 207 G HA2 -0.232 3.728 3.960 0.000 0.000 0.254 207 G HA3 -0.232 3.728 3.960 0.000 0.000 0.254 207 G C 0.325 175.259 174.900 0.057 0.000 0.982 207 G CA -0.217 44.919 45.100 0.060 0.000 0.632 207 G HN 0.581 nan 8.290 nan 0.000 0.529 208 Q N 0.340 120.177 119.800 0.061 0.000 2.500 208 Q HA 0.481 4.821 4.340 0.000 0.000 0.215 208 Q C 0.394 176.430 176.000 0.059 0.000 1.062 208 Q CA 0.107 55.950 55.803 0.066 0.000 0.996 208 Q CB 0.433 29.226 28.738 0.091 0.000 1.239 208 Q HN 0.547 nan 8.270 nan 0.000 0.578 209 K N 0.425 120.857 120.400 0.054 0.000 2.118 209 K HA 0.259 4.579 4.320 0.000 0.000 0.264 209 K C 0.716 177.343 176.600 0.045 0.000 1.000 209 K CA -0.637 55.677 56.287 0.045 0.000 0.929 209 K CB 1.119 33.641 32.500 0.037 0.000 1.021 209 K HN 0.385 nan 8.250 nan 0.000 0.463 210 R N 0.936 121.459 120.500 0.039 0.000 2.097 210 R HA -0.197 4.143 4.340 0.000 0.000 0.236 210 R C 2.077 178.394 176.300 0.029 0.000 1.135 210 R CA 2.367 58.488 56.100 0.035 0.000 0.934 210 R CB -0.475 29.843 30.300 0.029 0.000 0.846 210 R HN 0.763 nan 8.270 nan 0.000 0.431 211 S N 0.066 115.781 115.700 0.024 0.000 2.406 211 S HA -0.279 4.191 4.470 0.000 0.000 0.242 211 S C 1.984 176.595 174.600 0.018 0.000 1.079 211 S CA 2.364 60.575 58.200 0.018 0.000 1.133 211 S CB -0.938 62.274 63.200 0.019 0.000 1.005 211 S HN 0.446 nan 8.310 nan 0.000 0.443 212 T N 1.900 116.471 114.554 0.028 0.000 2.788 212 T HA -0.034 4.316 4.350 0.000 0.000 0.268 212 T C 1.943 176.654 174.700 0.018 0.000 1.044 212 T CA 1.301 63.418 62.100 0.030 0.000 1.139 212 T CB -0.472 68.425 68.868 0.048 0.000 0.867 212 T HN 0.261 nan 8.240 nan 0.000 0.454 213 V N 1.727 121.660 119.914 0.032 0.000 2.307 213 V HA -0.118 4.002 4.120 0.000 0.000 0.245 213 V C 2.938 179.026 176.094 -0.010 0.000 1.045 213 V CA 1.504 63.819 62.300 0.024 0.000 1.024 213 V CB -1.335 30.528 31.823 0.066 0.000 0.651 213 V HN 0.513 nan 8.190 nan 0.000 0.449 214 A N -0.350 122.468 122.820 -0.002 0.000 1.884 214 A HA -0.370 3.950 4.320 0.000 0.000 0.219 214 A C 2.171 179.738 177.584 -0.029 0.000 1.197 214 A CA 2.498 54.528 52.037 -0.013 0.000 0.637 214 A CB -0.648 18.350 19.000 -0.004 0.000 0.827 214 A HN 0.638 nan 8.150 nan 0.000 0.450 215 Q N -1.037 118.748 119.800 -0.025 0.000 2.167 215 Q HA -0.041 4.299 4.340 0.000 0.000 0.202 215 Q C 2.108 178.073 176.000 -0.059 0.000 0.970 215 Q CA 0.953 56.735 55.803 -0.034 0.000 0.855 215 Q CB -0.207 28.523 28.738 -0.014 0.000 0.911 215 Q HN 0.617 nan 8.270 nan 0.000 0.438 216 L N 0.693 121.873 121.223 -0.072 0.000 2.005 216 L HA -0.118 4.222 4.340 0.000 0.000 0.207 216 L C 2.403 179.192 176.870 -0.136 0.000 1.072 216 L CA 1.740 56.504 54.840 -0.127 0.000 0.744 216 L CB -0.839 41.098 42.059 -0.202 0.000 0.895 216 L HN 0.283 nan 8.230 nan 0.000 0.433 217 V N -1.129 118.719 119.914 -0.109 0.000 2.490 217 V HA -0.216 3.904 4.120 0.000 0.000 0.250 217 V C 2.640 178.678 176.094 -0.094 0.000 1.061 217 V CA 1.661 63.901 62.300 -0.098 0.000 1.064 217 V CB -0.637 31.146 31.823 -0.066 0.000 0.670 217 V HN 0.368 nan 8.190 nan 0.000 0.461 218 K N 0.966 121.316 120.400 -0.084 0.000 2.026 218 K HA -0.219 4.101 4.320 0.000 0.000 0.208 218 K C 2.412 178.945 176.600 -0.112 0.000 1.048 218 K CA 2.293 58.530 56.287 -0.084 0.000 0.929 218 K CB -0.495 31.963 32.500 -0.070 0.000 0.713 218 K HN 0.589 nan 8.250 nan 0.000 0.439 219 R N 0.920 121.340 120.500 -0.132 0.000 2.073 219 R HA -0.025 4.315 4.340 0.000 0.000 0.234 219 R C 2.436 178.640 176.300 -0.159 0.000 1.134 219 R CA 1.387 57.376 56.100 -0.185 0.000 0.952 219 R CB -0.695 29.478 30.300 -0.212 0.000 0.850 219 R HN 0.192 nan 8.270 nan 0.000 0.433 220 L N -0.152 120.989 121.223 -0.137 0.000 2.017 220 L HA -0.180 4.160 4.340 0.000 0.000 0.208 220 L C 2.256 179.040 176.870 -0.143 0.000 1.073 220 L CA 1.987 56.745 54.840 -0.137 0.000 0.745 220 L CB -0.789 41.181 42.059 -0.149 0.000 0.894 220 L HN 0.335 nan 8.230 nan 0.000 0.432 221 T N -0.370 114.107 114.554 -0.128 0.000 2.565 221 T HA -0.269 4.081 4.350 0.000 0.000 0.265 221 T C 1.440 176.079 174.700 -0.102 0.000 1.082 221 T CA 1.971 64.004 62.100 -0.110 0.000 1.173 221 T CB -0.451 68.365 68.868 -0.088 0.000 0.864 221 T HN 0.367 nan 8.240 nan 0.000 0.425 222 D N 1.496 121.834 120.400 -0.103 0.000 2.149 222 D HA -0.103 4.537 4.640 0.000 0.000 0.194 222 D C 1.994 178.240 176.300 -0.089 0.000 1.001 222 D CA 1.464 55.406 54.000 -0.097 0.000 0.849 222 D CB -0.504 40.225 40.800 -0.119 0.000 0.939 222 D HN 0.499 nan 8.370 nan 0.000 0.449 223 A N 0.198 122.960 122.820 -0.097 0.000 2.259 223 A HA 0.005 4.325 4.320 0.000 0.000 0.208 223 A C 0.297 177.846 177.584 -0.059 0.000 1.201 223 A CA 0.534 52.532 52.037 -0.065 0.000 0.824 223 A CB -0.224 18.748 19.000 -0.048 0.000 0.838 223 A HN 0.113 nan 8.150 nan 0.000 0.485 224 D N -2.708 117.639 120.400 -0.088 0.000 2.737 224 D HA -0.183 4.457 4.640 0.000 0.000 0.238 224 D C 0.645 176.837 176.300 -0.180 0.000 1.157 224 D CA 1.007 54.949 54.000 -0.096 0.000 0.694 224 D CB -1.108 39.670 40.800 -0.037 0.000 1.021 224 D HN 0.498 nan 8.370 nan 0.000 0.420 225 A N 0.567 123.180 122.820 -0.345 0.000 2.026 225 A HA 0.147 4.467 4.320 0.000 0.000 0.198 225 A C 2.021 179.062 177.584 -0.905 0.000 1.390 225 A CA 0.428 51.982 52.037 -0.805 0.000 0.915 225 A CB -0.015 18.760 19.000 -0.376 0.000 0.974 225 A HN 0.292 nan 8.150 nan 0.000 0.477 226 M N 1.668 121.013 119.600 -0.424 0.000 2.143 226 M HA -0.215 4.265 4.480 0.000 0.000 0.258 226 M C 2.082 178.238 176.300 -0.241 0.000 1.071 226 M CA 2.136 57.275 55.300 -0.269 0.000 1.088 226 M CB -0.986 31.520 32.600 -0.156 0.000 1.360 226 M HN 0.696 nan 8.290 nan 0.000 0.404 227 K N 0.240 120.492 120.400 -0.246 0.000 2.211 227 K HA -0.189 4.131 4.320 0.000 0.000 0.204 227 K C 0.818 177.432 176.600 0.022 0.000 1.047 227 K CA 1.663 57.901 56.287 -0.082 0.000 0.935 227 K CB -0.723 31.765 32.500 -0.020 0.000 0.728 227 K HN 0.519 nan 8.250 nan 0.000 0.452 228 Y N -0.011 120.314 120.300 0.042 0.000 2.751 228 Y HA 0.506 5.056 4.550 -0.000 0.000 0.289 228 Y C -0.611 175.323 175.900 0.057 0.000 1.110 228 Y CA -1.147 56.992 58.100 0.065 0.000 1.251 228 Y CB 0.057 38.491 38.460 -0.044 0.000 1.178 228 Y HN -0.211 nan 8.280 nan 0.000 0.540 229 T N 2.245 116.834 114.554 0.059 0.000 2.912 229 T HA 0.612 4.962 4.350 0.000 0.000 0.299 229 T C -0.558 174.178 174.700 0.058 0.000 1.052 229 T CA -0.518 61.621 62.100 0.065 0.000 0.996 229 T CB 1.803 70.650 68.868 -0.036 0.000 1.070 229 T HN 0.194 nan 8.240 nan 0.000 0.465 230 I N 1.748 122.366 120.570 0.079 0.000 2.607 230 I HA 0.666 4.836 4.170 0.000 0.000 0.305 230 I C -0.632 175.527 176.117 0.071 0.000 0.995 230 I CA -1.197 60.145 61.300 0.069 0.000 1.148 230 I CB 1.895 39.945 38.000 0.083 0.000 1.323 230 I HN 0.200 nan 8.210 nan 0.000 0.461 231 V N 5.666 125.618 119.914 0.064 0.000 2.443 231 V HA 0.288 4.408 4.120 0.000 0.000 0.293 231 V C -0.255 175.883 176.094 0.072 0.000 1.021 231 V CA -0.627 61.732 62.300 0.099 0.000 0.848 231 V CB 1.929 33.811 31.823 0.098 0.000 0.998 231 V HN 0.405 nan 8.190 nan 0.000 0.424 232 V N 4.219 124.169 119.914 0.060 0.000 2.383 232 V HA 0.557 4.677 4.120 0.000 0.000 0.275 232 V C 0.361 176.481 176.094 0.042 0.000 1.036 232 V CA -0.166 62.153 62.300 0.031 0.000 0.889 232 V CB 1.639 33.464 31.823 0.004 0.000 0.985 232 V HN 0.866 nan 8.190 nan 0.000 0.459 233 S N 4.367 120.094 115.700 0.046 0.000 2.552 233 S HA 0.808 5.278 4.470 0.000 0.000 0.314 233 S C -0.357 174.270 174.600 0.046 0.000 1.099 233 S CA -0.069 58.165 58.200 0.057 0.000 1.070 233 S CB 1.471 64.713 63.200 0.070 0.000 0.998 233 S HN 1.199 nan 8.310 nan 0.000 0.474 234 A N 4.196 127.045 122.820 0.048 0.000 2.815 234 A HA 0.608 4.928 4.320 0.000 0.000 0.318 234 A C 0.287 177.907 177.584 0.061 0.000 1.186 234 A CA -0.633 51.437 52.037 0.056 0.000 0.754 234 A CB 0.110 19.148 19.000 0.063 0.000 1.151 234 A HN 0.990 nan 8.150 nan 0.000 0.452 235 T N -1.305 113.284 114.554 0.059 0.000 2.824 235 T HA 0.568 4.918 4.350 0.000 0.000 0.277 235 T C 1.641 176.374 174.700 0.056 0.000 0.975 235 T CA 0.053 62.187 62.100 0.058 0.000 0.966 235 T CB 1.211 70.111 68.868 0.054 0.000 1.054 235 T HN 1.318 nan 8.240 nan 0.000 0.533 236 A N 0.630 123.481 122.820 0.052 0.000 1.985 236 A HA -0.180 4.140 4.320 0.000 0.000 0.223 236 A C 2.519 180.129 177.584 0.044 0.000 1.189 236 A CA 2.656 54.722 52.037 0.048 0.000 0.658 236 A CB -1.470 17.555 19.000 0.042 0.000 0.820 236 A HN 0.930 nan 8.150 nan 0.000 0.464 237 S N -0.820 114.904 115.700 0.041 0.000 2.501 237 S HA 0.029 4.499 4.470 0.000 0.000 0.220 237 S C 0.328 174.953 174.600 0.041 0.000 0.997 237 S CA -0.142 58.080 58.200 0.036 0.000 0.919 237 S CB -0.430 62.789 63.200 0.031 0.000 0.778 237 S HN 0.534 nan 8.310 nan 0.000 0.523 238 D N 2.217 122.648 120.400 0.052 0.000 2.362 238 D HA 0.357 4.997 4.640 0.000 0.000 0.242 238 D C 0.175 176.517 176.300 0.070 0.000 1.132 238 D CA 0.249 54.287 54.000 0.062 0.000 0.907 238 D CB 1.287 42.131 40.800 0.074 0.000 1.195 238 D HN 0.394 nan 8.370 nan 0.000 0.429 239 A N 1.406 124.271 122.820 0.075 0.000 2.511 239 A HA 0.344 4.664 4.320 0.000 0.000 0.242 239 A C 1.428 179.078 177.584 0.110 0.000 1.069 239 A CA 0.357 52.439 52.037 0.074 0.000 0.763 239 A CB 0.365 19.402 19.000 0.061 0.000 1.001 239 A HN 0.639 nan 8.150 nan 0.000 0.498 240 A N 4.341 127.216 122.820 0.093 0.000 1.909 240 A HA -0.173 4.147 4.320 0.000 0.000 0.221 240 A C -0.055 177.658 177.584 0.216 0.000 1.223 240 A CA 2.349 54.462 52.037 0.126 0.000 0.658 240 A CB -1.918 17.128 19.000 0.076 0.000 0.831 240 A HN 0.661 nan 8.150 nan 0.000 0.462 241 P HA -0.123 nan 4.420 nan 0.000 0.220 241 P C 1.312 178.949 177.300 0.561 0.000 1.144 241 P CA 0.909 64.240 63.100 0.384 0.000 0.800 241 P CB -0.172 31.614 31.700 0.143 0.000 0.772 242 L N -0.874 120.573 121.223 0.373 0.000 2.044 242 L HA -0.138 4.202 4.340 0.000 0.000 0.205 242 L C 2.656 179.650 176.870 0.206 0.000 1.075 242 L CA 1.425 56.435 54.840 0.283 0.000 0.747 242 L CB -1.001 41.169 42.059 0.184 0.000 0.903 242 L HN -0.037 nan 8.230 nan 0.000 0.435 243 Q N -1.092 118.829 119.800 0.203 0.000 2.224 243 Q HA -0.230 4.110 4.340 0.000 0.000 0.203 243 Q C 2.005 178.118 176.000 0.188 0.000 0.970 243 Q CA 1.553 57.449 55.803 0.154 0.000 0.865 243 Q CB -0.348 28.475 28.738 0.141 0.000 0.922 243 Q HN 0.511 nan 8.270 nan 0.000 0.445 244 Y N 1.626 122.029 120.300 0.172 0.000 2.133 244 Y HA -0.216 4.334 4.550 0.000 0.000 0.287 244 Y C 1.998 178.047 175.900 0.248 0.000 1.134 244 Y CA 1.176 59.406 58.100 0.216 0.000 1.133 244 Y CB -0.455 38.182 38.460 0.295 0.000 0.987 244 Y HN 0.086 nan 8.280 nan 0.000 0.502 245 L N 1.214 122.372 121.223 -0.107 0.000 2.079 245 L HA -0.080 4.260 4.340 0.000 0.000 0.210 245 L C 2.490 179.303 176.870 -0.095 0.000 1.081 245 L CA 1.946 56.688 54.840 -0.163 0.000 0.752 245 L CB -1.376 40.590 42.059 -0.155 0.000 0.896 245 L HN 0.381 nan 8.230 nan 0.000 0.433 246 A N 0.366 123.145 122.820 -0.068 0.000 1.881 246 A HA -0.231 4.089 4.320 0.000 0.000 0.219 246 A C 0.151 177.678 177.584 -0.095 0.000 1.215 246 A CA 2.474 54.474 52.037 -0.062 0.000 0.648 246 A CB -2.302 16.686 19.000 -0.020 0.000 0.832 246 A HN 0.457 nan 8.150 nan 0.000 0.455 247 P HA -0.180 nan 4.420 nan 0.000 0.215 247 P C 1.023 178.167 177.300 -0.260 0.000 1.157 247 P CA 1.591 64.543 63.100 -0.247 0.000 0.874 247 P CB -0.287 31.009 31.700 -0.675 0.000 0.790 248 Y N -0.170 120.047 120.300 -0.139 0.000 2.145 248 Y HA -0.127 4.423 4.550 0.000 0.000 0.286 248 Y C 2.744 178.600 175.900 -0.073 0.000 1.145 248 Y CA 1.431 59.452 58.100 -0.132 0.000 1.148 248 Y CB -1.540 36.786 38.460 -0.224 0.000 0.981 248 Y HN -0.085 nan 8.280 nan 0.000 0.507 249 S N -0.149 115.575 115.700 0.040 0.000 2.359 249 S HA -0.207 4.263 4.470 0.000 0.000 0.224 249 S C 2.424 177.035 174.600 0.018 0.000 1.035 249 S CA 1.407 59.606 58.200 -0.002 0.000 1.018 249 S CB -1.109 62.059 63.200 -0.052 0.000 0.876 249 S HN 0.664 nan 8.310 nan 0.000 0.448 250 G N -0.008 108.805 108.800 0.023 0.000 2.422 250 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 250 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 250 G C 1.741 176.676 174.900 0.059 0.000 1.146 250 G CA 1.067 46.184 45.100 0.028 0.000 0.769 250 G HN 0.629 nan 8.290 nan 0.000 0.547 251 C N 0.430 119.796 119.300 0.109 0.000 2.435 251 C HA 0.075 4.535 4.460 0.000 0.000 0.279 251 C C 3.113 178.166 174.990 0.105 0.000 1.321 251 C CA 1.475 60.572 59.018 0.132 0.000 1.752 251 C CB -0.962 26.901 27.740 0.204 0.000 1.959 251 C HN 0.313 nan 8.230 nan 0.000 0.500 252 S N 1.084 116.835 115.700 0.085 0.000 2.348 252 S HA -0.179 4.291 4.470 0.000 0.000 0.221 252 S C 1.801 176.453 174.600 0.086 0.000 1.033 252 S CA 2.169 60.412 58.200 0.071 0.000 1.010 252 S CB -0.466 62.759 63.200 0.042 0.000 0.891 252 S HN 0.699 nan 8.310 nan 0.000 0.442 253 M N 0.797 120.441 119.600 0.073 0.000 2.255 253 M HA -0.151 4.329 4.480 0.000 0.000 0.259 253 M C 2.188 178.629 176.300 0.234 0.000 1.071 253 M CA 1.578 56.936 55.300 0.097 0.000 1.074 253 M CB -0.718 31.931 32.600 0.082 0.000 1.384 253 M HN 0.471 nan 8.290 nan 0.000 0.415 254 G N -0.593 108.335 108.800 0.213 0.000 2.603 254 G HA2 -0.068 3.892 3.960 0.000 0.000 0.214 254 G HA3 -0.068 3.892 3.960 0.000 0.000 0.214 254 G C 1.300 176.359 174.900 0.266 0.000 1.140 254 G CA 0.052 45.321 45.100 0.282 0.000 0.800 254 G HN 0.477 nan 8.290 nan 0.000 0.533 255 E N -0.411 119.894 120.200 0.174 0.000 2.152 255 E HA -0.097 4.253 4.350 0.000 0.000 0.192 255 E C 1.846 178.501 176.600 0.091 0.000 0.983 255 E CA 0.363 56.834 56.400 0.119 0.000 0.818 255 E CB -0.197 29.551 29.700 0.081 0.000 0.758 255 E HN 0.555 nan 8.360 nan 0.000 0.467 256 Y N 0.936 121.203 120.300 -0.054 0.000 2.102 256 Y HA -0.333 4.217 4.550 -0.000 0.000 0.280 256 Y C 1.759 177.499 175.900 -0.267 0.000 1.178 256 Y CA 1.827 59.797 58.100 -0.216 0.000 1.146 256 Y CB -0.426 37.802 38.460 -0.387 0.000 0.968 256 Y HN -0.065 nan 8.280 nan 0.000 0.504 257 F N 0.081 120.013 119.950 -0.031 0.000 2.113 257 F HA -0.119 4.408 4.527 0.000 0.000 0.297 257 F C 2.809 178.519 175.800 -0.149 0.000 1.103 257 F CA 1.870 59.779 58.000 -0.152 0.000 1.248 257 F CB -0.791 38.197 39.000 -0.020 0.000 0.999 257 F HN -0.067 nan 8.300 nan 0.000 0.475 258 R N 0.592 121.162 120.500 0.116 0.000 2.083 258 R HA -0.182 4.158 4.340 0.000 0.000 0.237 258 R C 1.409 177.706 176.300 -0.006 0.000 1.137 258 R CA 2.137 58.275 56.100 0.063 0.000 0.951 258 R CB -0.436 29.912 30.300 0.079 0.000 0.851 258 R HN 0.170 nan 8.270 nan 0.000 0.434 259 D N -0.083 120.290 120.400 -0.045 0.000 2.347 259 D HA -0.023 4.617 4.640 0.000 0.000 0.213 259 D C 0.182 176.413 176.300 -0.115 0.000 0.985 259 D CA 0.596 54.567 54.000 -0.049 0.000 0.879 259 D CB 0.017 40.794 40.800 -0.039 0.000 0.919 259 D HN 0.199 nan 8.370 nan 0.000 0.526 260 N N -0.013 118.555 118.700 -0.219 0.000 2.458 260 N HA 0.168 4.908 4.740 0.000 0.000 0.274 260 N C 0.963 176.359 175.510 -0.190 0.000 1.242 260 N CA 0.103 52.993 53.050 -0.266 0.000 0.904 260 N CB 1.171 39.346 38.487 -0.521 0.000 1.206 260 N HN 0.072 nan 8.380 nan 0.000 0.510 261 G N 0.825 109.546 108.800 -0.132 0.000 2.175 261 G HA2 -0.314 3.646 3.960 0.000 0.000 0.265 261 G HA3 -0.314 3.646 3.960 0.000 0.000 0.265 261 G C 0.270 175.047 174.900 -0.205 0.000 0.979 261 G CA 0.645 45.663 45.100 -0.136 0.000 0.663 261 G HN 0.317 nan 8.290 nan 0.000 0.533 262 K N -0.183 120.117 120.400 -0.166 0.000 2.210 262 K HA 0.603 4.923 4.320 0.000 0.000 0.236 262 K C -0.544 175.945 176.600 -0.186 0.000 1.016 262 K CA -0.874 55.350 56.287 -0.104 0.000 0.913 262 K CB 1.037 33.645 32.500 0.181 0.000 1.141 262 K HN 0.285 nan 8.250 nan 0.000 0.462 263 H N -0.423 118.758 119.070 0.185 0.000 2.489 263 H HA 0.506 5.062 4.556 0.000 0.000 0.343 263 H C -0.825 174.543 175.328 0.067 0.000 1.086 263 H CA -0.636 55.465 56.048 0.087 0.000 1.198 263 H CB 1.896 31.654 29.762 -0.007 0.000 1.490 263 H HN 0.712 nan 8.280 nan 0.000 0.504 264 A N 2.900 125.808 122.820 0.147 0.000 2.413 264 A HA 0.584 4.904 4.320 0.000 0.000 0.307 264 A C -1.304 176.277 177.584 -0.005 0.000 1.087 264 A CA -0.701 51.342 52.037 0.008 0.000 0.750 264 A CB 1.809 20.812 19.000 0.004 0.000 1.296 264 A HN 0.468 nan 8.150 nan 0.000 0.423 265 L N 2.049 123.243 121.223 -0.049 0.000 2.343 265 L HA 0.731 5.071 4.340 0.000 0.000 0.278 265 L C -0.979 175.833 176.870 -0.096 0.000 0.996 265 L CA -0.327 54.475 54.840 -0.065 0.000 0.831 265 L CB 1.087 43.108 42.059 -0.062 0.000 1.232 265 L HN 0.708 nan 8.230 nan 0.000 0.413 266 I N 5.266 125.735 120.570 -0.168 0.000 2.460 266 I HA 0.561 4.731 4.170 0.000 0.000 0.298 266 I C -1.092 174.767 176.117 -0.431 0.000 0.989 266 I CA -0.612 60.488 61.300 -0.334 0.000 1.173 266 I CB 1.348 39.066 38.000 -0.471 0.000 1.338 266 I HN 0.624 nan 8.210 nan 0.000 0.456 267 I N 7.303 127.598 120.570 -0.458 0.000 2.418 267 I HA 0.254 4.424 4.170 0.000 0.000 0.287 267 I C -1.447 174.361 176.117 -0.515 0.000 1.008 267 I CA -0.560 60.515 61.300 -0.375 0.000 1.104 267 I CB 1.456 39.367 38.000 -0.148 0.000 1.264 267 I HN 0.455 nan 8.210 nan 0.000 0.438 268 Y N 4.146 124.305 120.300 -0.234 0.000 2.491 268 Y HA 0.318 4.868 4.550 0.000 0.000 0.334 268 Y C -0.039 175.706 175.900 -0.259 0.000 0.969 268 Y CA -0.829 57.108 58.100 -0.271 0.000 1.241 268 Y CB 0.652 38.964 38.460 -0.248 0.000 1.105 268 Y HN 0.382 nan 8.280 nan 0.000 0.503 269 D N 4.003 124.283 120.400 -0.200 0.000 2.464 269 D HA 0.190 4.830 4.640 0.000 0.000 0.243 269 D C -1.278 174.976 176.300 -0.078 0.000 1.104 269 D CA -0.338 53.569 54.000 -0.155 0.000 0.883 269 D CB 0.505 41.147 40.800 -0.264 0.000 1.050 269 D HN 0.684 nan 8.370 nan 0.000 0.524 270 D N 0.968 121.347 120.400 -0.035 0.000 2.477 270 D HA 0.228 4.868 4.640 0.000 0.000 0.234 270 D C 1.234 177.501 176.300 -0.054 0.000 1.048 270 D CA -0.748 53.226 54.000 -0.043 0.000 0.959 270 D CB 1.109 41.893 40.800 -0.027 0.000 1.408 270 D HN 0.099 nan 8.370 nan 0.000 0.496 271 L N 0.127 121.281 121.223 -0.115 0.000 2.376 271 L HA -0.049 4.291 4.340 0.000 0.000 0.219 271 L C 1.839 178.707 176.870 -0.003 0.000 1.133 271 L CA 0.528 55.268 54.840 -0.167 0.000 0.816 271 L CB -0.336 41.375 42.059 -0.580 0.000 0.933 271 L HN 0.384 nan 8.230 nan 0.000 0.449 272 S N 0.301 116.003 115.700 0.003 0.000 2.343 272 S HA -0.184 4.286 4.470 0.000 0.000 0.219 272 S C 1.928 176.597 174.600 0.115 0.000 1.033 272 S CA 1.327 59.567 58.200 0.068 0.000 1.014 272 S CB -0.089 63.142 63.200 0.051 0.000 0.915 272 S HN 0.371 nan 8.310 nan 0.000 0.435 273 K N 1.061 121.512 120.400 0.084 0.000 2.103 273 K HA -0.179 4.141 4.320 0.000 0.000 0.207 273 K C 2.460 179.137 176.600 0.128 0.000 1.048 273 K CA 1.180 57.526 56.287 0.100 0.000 0.930 273 K CB -0.209 32.334 32.500 0.071 0.000 0.716 273 K HN 0.396 nan 8.250 nan 0.000 0.444 274 Q N 0.830 120.702 119.800 0.119 0.000 2.050 274 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 274 Q C 2.085 178.227 176.000 0.236 0.000 0.980 274 Q CA 1.643 57.542 55.803 0.160 0.000 0.840 274 Q CB -0.133 28.663 28.738 0.097 0.000 0.898 274 Q HN 0.329 nan 8.270 nan 0.000 0.424 275 A N 0.716 123.678 122.820 0.237 0.000 1.978 275 A HA -0.161 4.159 4.320 0.000 0.000 0.220 275 A C 2.163 179.989 177.584 0.402 0.000 1.170 275 A CA 1.755 53.944 52.037 0.254 0.000 0.636 275 A CB -0.998 18.058 19.000 0.094 0.000 0.810 275 A HN 0.454 nan 8.150 nan 0.000 0.448 276 V N -1.556 118.548 119.914 0.316 0.000 2.379 276 V HA -0.004 4.116 4.120 0.000 0.000 0.245 276 V C 2.490 178.684 176.094 0.167 0.000 1.044 276 V CA 2.028 64.472 62.300 0.239 0.000 1.036 276 V CB -1.081 30.837 31.823 0.157 0.000 0.664 276 V HN 0.557 nan 8.190 nan 0.000 0.453 277 A N -0.575 122.352 122.820 0.179 0.000 1.908 277 A HA -0.263 4.057 4.320 0.000 0.000 0.218 277 A C 2.221 179.901 177.584 0.159 0.000 1.181 277 A CA 2.298 54.431 52.037 0.160 0.000 0.627 277 A CB -1.207 17.914 19.000 0.201 0.000 0.818 277 A HN 0.865 nan 8.150 nan 0.000 0.445 278 Y N 0.277 120.635 120.300 0.097 0.000 2.274 278 Y HA -0.164 4.386 4.550 0.000 0.000 0.290 278 Y C 2.451 178.354 175.900 0.004 0.000 1.145 278 Y CA 1.874 59.977 58.100 0.005 0.000 1.203 278 Y CB -0.317 38.175 38.460 0.053 0.000 0.984 278 Y HN 0.351 nan 8.280 nan 0.000 0.533 279 R N 0.078 120.597 120.500 0.032 0.000 2.092 279 R HA -0.190 4.150 4.340 0.000 0.000 0.231 279 R C 2.438 178.651 176.300 -0.145 0.000 1.119 279 R CA 1.629 57.682 56.100 -0.079 0.000 0.970 279 R CB -0.315 29.930 30.300 -0.092 0.000 0.864 279 R HN 0.516 nan 8.270 nan 0.000 0.440 280 Q N 0.101 119.848 119.800 -0.088 0.000 2.119 280 Q HA -0.168 4.172 4.340 0.000 0.000 0.201 280 Q C 1.926 177.847 176.000 -0.132 0.000 0.972 280 Q CA 1.631 57.382 55.803 -0.088 0.000 0.847 280 Q CB 0.031 28.747 28.738 -0.038 0.000 0.903 280 Q HN 0.410 nan 8.270 nan 0.000 0.433 281 M N -0.322 119.164 119.600 -0.190 0.000 2.132 281 M HA -0.138 4.342 4.480 0.000 0.000 0.263 281 M C 2.341 178.466 176.300 -0.292 0.000 1.065 281 M CA 1.480 56.631 55.300 -0.248 0.000 1.122 281 M CB -0.030 32.369 32.600 -0.335 0.000 1.365 281 M HN 0.093 nan 8.290 nan 0.000 0.411 282 S N 1.011 116.467 115.700 -0.408 0.000 2.348 282 S HA -0.064 4.406 4.470 0.000 0.000 0.221 282 S C 1.895 176.382 174.600 -0.188 0.000 1.033 282 S CA 1.240 59.235 58.200 -0.341 0.000 1.010 282 S CB -0.548 62.405 63.200 -0.412 0.000 0.891 282 S HN 0.370 nan 8.310 nan 0.000 0.442 283 L N 1.168 122.296 121.223 -0.158 0.000 2.131 283 L HA -0.065 4.275 4.340 0.000 0.000 0.210 283 L C 2.103 178.917 176.870 -0.094 0.000 1.092 283 L CA 0.884 55.659 54.840 -0.108 0.000 0.759 283 L CB -0.640 41.360 42.059 -0.098 0.000 0.903 283 L HN 0.263 nan 8.230 nan 0.000 0.435 284 L N -0.715 120.444 121.223 -0.106 0.000 2.291 284 L HA -0.150 4.190 4.340 0.000 0.000 0.214 284 L C 2.155 178.977 176.870 -0.081 0.000 1.120 284 L CA 0.768 55.558 54.840 -0.084 0.000 0.799 284 L CB -0.216 41.795 42.059 -0.081 0.000 0.925 284 L HN 0.287 nan 8.230 nan 0.000 0.446 285 L N -0.616 120.548 121.223 -0.098 0.000 2.591 285 L HA 0.067 4.407 4.340 0.000 0.000 0.228 285 L C 0.770 177.603 176.870 -0.061 0.000 1.133 285 L CA 0.193 54.985 54.840 -0.081 0.000 0.880 285 L CB -0.036 41.963 42.059 -0.100 0.000 1.033 285 L HN 0.247 nan 8.230 nan 0.000 0.450 286 R N 0.083 120.546 120.500 -0.063 0.000 3.776 286 R HA -0.139 4.201 4.340 0.000 0.000 0.312 286 R C -0.208 176.067 176.300 -0.042 0.000 1.181 286 R CA 0.299 56.371 56.100 -0.047 0.000 0.836 286 R CB -1.632 28.647 30.300 -0.035 0.000 1.324 286 R HN 0.352 nan 8.270 nan 0.000 0.501 287 R N 1.492 121.960 120.500 -0.055 0.000 2.641 287 R HA 0.167 4.507 4.340 0.000 0.000 0.269 287 R C -1.963 174.323 176.300 -0.023 0.000 1.074 287 R CA -1.460 54.619 56.100 -0.035 0.000 1.133 287 R CB 0.092 30.366 30.300 -0.042 0.000 1.029 287 R HN -0.057 nan 8.270 nan 0.000 0.488 288 P HA 0.155 nan 4.420 nan 0.000 0.276 288 P C -2.416 174.893 177.300 0.015 0.000 1.253 288 P CA -1.356 61.745 63.100 0.003 0.000 0.766 288 P CB 0.029 31.735 31.700 0.010 0.000 0.845 289 P HA 0.308 nan 4.420 nan 0.000 0.275 289 P C 0.504 177.823 177.300 0.032 0.000 1.227 289 P CA 0.130 63.239 63.100 0.015 0.000 0.781 289 P CB 0.889 32.580 31.700 -0.015 0.000 0.906 290 G N 1.603 110.443 108.800 0.067 0.000 3.302 290 G HA2 0.330 4.290 3.960 0.000 0.000 0.170 290 G HA3 0.330 4.290 3.960 0.000 0.000 0.170 290 G C -0.609 174.307 174.900 0.028 0.000 1.119 290 G CA -0.819 44.306 45.100 0.043 0.000 0.826 290 G HN 0.338 nan 8.290 nan 0.000 0.646 291 R N 1.026 121.486 120.500 -0.067 0.000 2.566 291 R HA 0.129 4.469 4.340 0.000 0.000 0.273 291 R C 0.096 176.488 176.300 0.154 0.000 0.981 291 R CA 0.893 56.917 56.100 -0.126 0.000 1.091 291 R CB -0.062 29.856 30.300 -0.636 0.000 0.924 291 R HN 0.700 nan 8.270 nan 0.000 0.411 292 E N 1.870 122.142 120.200 0.119 0.000 2.494 292 E HA -0.343 4.007 4.350 0.000 0.000 0.249 292 E C 0.219 176.811 176.600 -0.013 0.000 1.184 292 E CA 0.458 56.940 56.400 0.136 0.000 0.727 292 E CB -1.125 28.776 29.700 0.335 0.000 1.281 292 E HN 0.853 nan 8.360 nan 0.000 0.405 293 A N -2.161 120.657 122.820 -0.003 0.000 2.847 293 A HA -0.289 4.031 4.320 0.000 0.000 0.263 293 A C -0.140 177.387 177.584 -0.095 0.000 1.391 293 A CA 1.667 53.663 52.037 -0.068 0.000 0.866 293 A CB -2.089 16.839 19.000 -0.120 0.000 1.057 293 A HN 0.437 nan 8.150 nan 0.000 0.673 294 Y N -0.018 120.368 120.300 0.143 0.000 2.320 294 Y HA 0.514 5.064 4.550 -0.000 0.000 0.324 294 Y C -1.423 174.580 175.900 0.173 0.000 1.190 294 Y CA -1.673 56.532 58.100 0.177 0.000 1.215 294 Y CB 0.627 39.252 38.460 0.276 0.000 1.221 294 Y HN 0.212 nan 8.280 nan 0.000 0.486 295 P HA 0.053 nan 4.420 nan 0.000 0.274 295 P C 0.637 178.101 177.300 0.274 0.000 1.246 295 P CA 0.019 63.246 63.100 0.211 0.000 0.795 295 P CB 0.813 32.595 31.700 0.136 0.000 1.006 296 G N 1.389 110.315 108.800 0.211 0.000 2.442 296 G HA2 -0.243 3.717 3.960 0.000 0.000 0.219 296 G HA3 -0.243 3.717 3.960 0.000 0.000 0.219 296 G C 0.767 175.807 174.900 0.234 0.000 1.141 296 G CA 0.883 46.107 45.100 0.208 0.000 0.763 296 G HN 0.623 nan 8.290 nan 0.000 0.554 297 D N 1.153 121.706 120.400 0.255 0.000 2.336 297 D HA -0.039 4.601 4.640 0.000 0.000 0.229 297 D C 2.323 178.754 176.300 0.218 0.000 1.061 297 D CA 0.673 54.840 54.000 0.278 0.000 0.875 297 D CB -0.563 40.427 40.800 0.317 0.000 0.904 297 D HN 0.345 nan 8.370 nan 0.000 0.525 298 V N -1.819 118.199 119.914 0.174 0.000 2.568 298 V HA -0.213 3.907 4.120 0.000 0.000 0.253 298 V C 2.243 178.231 176.094 -0.178 0.000 1.072 298 V CA 1.210 63.482 62.300 -0.047 0.000 1.084 298 V CB -1.467 30.230 31.823 -0.211 0.000 0.676 298 V HN 0.138 nan 8.190 nan 0.000 0.469 299 F N 0.695 120.563 119.950 -0.137 0.000 2.128 299 F HA -0.082 4.445 4.527 0.000 0.000 0.295 299 F C 2.332 178.135 175.800 0.006 0.000 1.100 299 F CA 1.645 59.588 58.000 -0.094 0.000 1.260 299 F CB -0.483 38.507 39.000 -0.017 0.000 1.009 299 F HN 0.169 nan 8.300 nan 0.000 0.476 300 Y N 0.769 121.036 120.300 -0.055 0.000 2.274 300 Y HA -0.180 4.370 4.550 -0.000 0.000 0.290 300 Y C 2.103 177.881 175.900 -0.203 0.000 1.145 300 Y CA 1.484 59.509 58.100 -0.125 0.000 1.203 300 Y CB -0.861 37.614 38.460 0.024 0.000 0.984 300 Y HN 0.242 nan 8.280 nan 0.000 0.533 301 L N -0.389 120.671 121.223 -0.273 0.000 2.079 301 L HA -0.255 4.085 4.340 0.000 0.000 0.210 301 L C 2.107 178.816 176.870 -0.268 0.000 1.081 301 L CA 2.284 56.896 54.840 -0.381 0.000 0.752 301 L CB -0.667 41.063 42.059 -0.549 0.000 0.896 301 L HN 0.345 nan 8.230 nan 0.000 0.433 302 H N -2.146 116.733 119.070 -0.319 0.000 2.497 302 H HA 0.016 4.572 4.556 -0.000 0.000 0.282 302 H C 2.328 177.424 175.328 -0.387 0.000 1.003 302 H CA 0.667 56.497 56.048 -0.364 0.000 1.307 302 H CB 0.199 29.751 29.762 -0.351 0.000 1.437 302 H HN 0.515 nan 8.280 nan 0.000 0.544 303 S N 1.563 117.041 115.700 -0.370 0.000 2.357 303 S HA -0.199 4.271 4.470 0.000 0.000 0.221 303 S C 2.136 176.632 174.600 -0.173 0.000 1.031 303 S CA 0.907 58.890 58.200 -0.361 0.000 0.982 303 S CB -0.251 62.603 63.200 -0.576 0.000 0.853 303 S HN 0.500 nan 8.310 nan 0.000 0.458 304 R N 0.974 121.359 120.500 -0.192 0.000 2.105 304 R HA -0.051 4.289 4.340 0.000 0.000 0.239 304 R C 2.274 178.528 176.300 -0.076 0.000 1.135 304 R CA 1.447 57.461 56.100 -0.143 0.000 0.967 304 R CB -0.958 29.122 30.300 -0.367 0.000 0.861 304 R HN 0.424 nan 8.270 nan 0.000 0.442 305 L N 1.598 122.779 121.223 -0.069 0.000 1.955 305 L HA -0.110 4.230 4.340 0.000 0.000 0.213 305 L C 2.306 179.108 176.870 -0.113 0.000 1.072 305 L CA 1.748 56.528 54.840 -0.100 0.000 0.755 305 L CB -0.519 41.323 42.059 -0.360 0.000 0.888 305 L HN 0.247 nan 8.230 nan 0.000 0.432 306 L N -0.566 120.571 121.223 -0.144 0.000 2.465 306 L HA -0.091 4.249 4.340 0.000 0.000 0.224 306 L C 2.380 179.234 176.870 -0.028 0.000 1.145 306 L CA 0.461 55.256 54.840 -0.075 0.000 0.834 306 L CB -0.586 41.411 42.059 -0.104 0.000 0.944 306 L HN 0.360 nan 8.230 nan 0.000 0.451 307 E N 0.429 120.611 120.200 -0.030 0.000 2.274 307 E HA -0.143 4.207 4.350 0.000 0.000 0.194 307 E C 2.112 178.716 176.600 0.006 0.000 0.996 307 E CA 0.622 57.019 56.400 -0.006 0.000 0.840 307 E CB 0.091 29.792 29.700 0.001 0.000 0.772 307 E HN 0.490 nan 8.360 nan 0.000 0.491 308 R N 0.517 121.025 120.500 0.014 0.000 2.237 308 R HA 0.028 4.368 4.340 0.000 0.000 0.219 308 R C 0.900 177.225 176.300 0.042 0.000 1.080 308 R CA 0.466 56.584 56.100 0.030 0.000 0.995 308 R CB 0.031 30.360 30.300 0.048 0.000 0.875 308 R HN -0.070 nan 8.270 nan 0.000 0.462 309 A N 0.871 123.718 122.820 0.045 0.000 2.363 309 A HA 0.678 4.998 4.320 0.000 0.000 0.270 309 A C -0.242 177.357 177.584 0.026 0.000 1.121 309 A CA 0.003 52.067 52.037 0.045 0.000 0.800 309 A CB 0.722 19.751 19.000 0.050 0.000 1.052 309 A HN 0.284 nan 8.150 nan 0.000 0.493 310 A N 1.745 124.580 122.820 0.026 0.000 2.540 310 A HA 0.704 5.024 4.320 0.000 0.000 0.291 310 A C -1.117 176.481 177.584 0.024 0.000 1.083 310 A CA -0.666 51.379 52.037 0.014 0.000 0.650 310 A CB 0.921 19.920 19.000 -0.001 0.000 1.292 310 A HN 0.986 nan 8.150 nan 0.000 0.435 311 K N 1.505 121.914 120.400 0.015 0.000 2.449 311 K HA 0.587 4.907 4.320 0.000 0.000 0.257 311 K C -0.650 175.963 176.600 0.021 0.000 0.989 311 K CA -0.411 55.894 56.287 0.030 0.000 0.916 311 K CB 0.400 32.912 32.500 0.020 0.000 1.136 311 K HN 0.627 nan 8.250 nan 0.000 0.439 312 M N 2.842 122.466 119.600 0.040 0.000 2.242 312 M HA 0.187 4.667 4.480 0.000 0.000 0.344 312 M C 0.404 176.752 176.300 0.079 0.000 1.140 312 M CA -0.406 54.916 55.300 0.037 0.000 1.160 312 M CB -0.038 32.602 32.600 0.066 0.000 1.491 312 M HN 0.700 nan 8.290 nan 0.000 0.459 313 N N 1.058 119.821 118.700 0.105 0.000 2.418 313 N HA 0.156 4.896 4.740 0.000 0.000 0.283 313 N C 0.116 175.713 175.510 0.146 0.000 1.267 313 N CA -0.454 52.668 53.050 0.120 0.000 0.975 313 N CB 0.383 38.941 38.487 0.118 0.000 1.167 313 N HN 0.417 nan 8.380 nan 0.000 0.581 314 D N -0.917 119.544 120.400 0.103 0.000 2.218 314 D HA -0.100 4.540 4.640 0.000 0.000 0.204 314 D C 1.427 177.759 176.300 0.052 0.000 0.976 314 D CA 1.422 55.464 54.000 0.069 0.000 0.853 314 D CB -0.511 40.314 40.800 0.041 0.000 0.939 314 D HN 0.694 nan 8.370 nan 0.000 0.481 315 A N -0.633 122.232 122.820 0.074 0.000 2.209 315 A HA -0.031 4.289 4.320 0.000 0.000 0.212 315 A C 1.041 178.449 177.584 -0.294 0.000 1.158 315 A CA 0.460 52.444 52.037 -0.088 0.000 0.742 315 A CB -0.387 18.564 19.000 -0.082 0.000 0.790 315 A HN 0.130 nan 8.150 nan 0.000 0.472 316 F N -1.691 118.253 119.950 -0.010 0.000 2.735 316 F HA 0.418 4.945 4.527 0.000 0.000 0.308 316 F C 1.559 177.342 175.800 -0.028 0.000 1.112 316 F CA 0.359 58.349 58.000 -0.017 0.000 1.235 316 F CB 0.789 39.783 39.000 -0.011 0.000 1.027 316 F HN 0.274 nan 8.300 nan 0.000 0.528 317 G N -0.388 108.458 108.800 0.076 0.000 2.195 317 G HA2 -0.092 3.868 3.960 0.000 0.000 0.224 317 G HA3 -0.092 3.868 3.960 0.000 0.000 0.224 317 G C 1.308 176.222 174.900 0.023 0.000 0.990 317 G CA -0.063 45.049 45.100 0.020 0.000 0.639 317 G HN 1.052 nan 8.290 nan 0.000 0.514 318 G N -0.452 108.391 108.800 0.072 0.000 2.186 318 G HA2 0.106 4.066 3.960 0.000 0.000 0.266 318 G HA3 0.106 4.066 3.960 0.000 0.000 0.266 318 G C 1.660 176.606 174.900 0.076 0.000 0.982 318 G CA 1.256 46.404 45.100 0.081 0.000 0.670 318 G HN 2.118 nan 8.290 nan 0.000 0.533 319 G N -0.549 108.249 108.800 -0.002 0.000 2.631 319 G HA2 0.655 4.615 3.960 0.000 0.000 0.271 319 G HA3 0.655 4.615 3.960 0.000 0.000 0.271 319 G C 0.381 175.366 174.900 0.141 0.000 1.302 319 G CA 1.173 46.223 45.100 -0.083 0.000 1.002 319 G HN 1.976 nan 8.290 nan 0.000 0.519 320 S N -2.130 113.716 115.700 0.243 0.000 2.567 320 S HA 0.533 5.003 4.470 0.000 0.000 0.270 320 S C -1.701 173.004 174.600 0.176 0.000 1.152 320 S CA -0.807 57.526 58.200 0.221 0.000 0.835 320 S CB 1.761 65.097 63.200 0.226 0.000 1.115 320 S HN 1.320 nan 8.310 nan 0.000 0.459 321 L N 1.564 122.848 121.223 0.101 0.000 2.406 321 L HA 0.755 5.095 4.340 0.000 0.000 0.272 321 L C -0.757 176.132 176.870 0.033 0.000 0.980 321 L CA 0.209 55.094 54.840 0.075 0.000 0.831 321 L CB 1.806 43.912 42.059 0.078 0.000 1.253 321 L HN 0.928 nan 8.230 nan 0.000 0.406 322 T N 4.324 118.880 114.554 0.002 0.000 2.795 322 T HA 0.834 5.184 4.350 0.000 0.000 0.282 322 T C -0.273 174.404 174.700 -0.038 0.000 0.980 322 T CA -0.200 61.887 62.100 -0.022 0.000 1.012 322 T CB 1.351 70.190 68.868 -0.048 0.000 0.936 322 T HN 0.816 nan 8.240 nan 0.000 0.457 323 A N 3.450 126.259 122.820 -0.019 0.000 2.331 323 A HA 0.749 5.069 4.320 0.000 0.000 0.320 323 A C -0.445 177.128 177.584 -0.018 0.000 1.138 323 A CA -0.737 51.287 52.037 -0.021 0.000 0.790 323 A CB 0.569 19.627 19.000 0.096 0.000 1.206 323 A HN 0.869 nan 8.150 nan 0.000 0.470 324 L N 4.618 125.808 121.223 -0.054 0.000 2.502 324 L HA 0.314 4.654 4.340 0.000 0.000 0.247 324 L C -2.318 174.545 176.870 -0.011 0.000 1.180 324 L CA -1.697 53.125 54.840 -0.030 0.000 0.956 324 L CB 1.219 43.256 42.059 -0.036 0.000 1.282 324 L HN 0.506 nan 8.230 nan 0.000 0.470 325 P HA 0.155 nan 4.420 nan 0.000 0.272 325 P C -0.544 176.738 177.300 -0.030 0.000 1.230 325 P CA -0.132 62.994 63.100 0.044 0.000 0.788 325 P CB 2.186 33.861 31.700 -0.041 0.000 0.949 326 V N 3.375 123.257 119.914 -0.054 0.000 2.638 326 V HA 0.407 4.527 4.120 0.000 0.000 0.306 326 V C 0.026 176.077 176.094 -0.072 0.000 1.052 326 V CA -0.576 61.692 62.300 -0.053 0.000 0.885 326 V CB 2.032 33.833 31.823 -0.037 0.000 0.999 326 V HN 0.422 nan 8.190 nan 0.000 0.424 327 I N 3.465 123.998 120.570 -0.062 0.000 2.478 327 I HA 0.405 4.575 4.170 0.000 0.000 0.287 327 I C -0.030 176.063 176.117 -0.039 0.000 1.042 327 I CA -0.336 60.933 61.300 -0.052 0.000 1.067 327 I CB 2.072 40.043 38.000 -0.049 0.000 1.233 327 I HN 0.756 nan 8.210 nan 0.000 0.431 328 E N 5.270 125.457 120.200 -0.023 0.000 2.229 328 E HA 0.335 4.685 4.350 0.000 0.000 0.283 328 E C -0.482 176.116 176.600 -0.003 0.000 1.030 328 E CA -0.300 56.085 56.400 -0.025 0.000 0.836 328 E CB 1.141 30.836 29.700 -0.009 0.000 1.068 328 E HN 0.678 nan 8.360 nan 0.000 0.401 329 T N 1.821 116.367 114.554 -0.014 0.000 2.927 329 T HA 0.304 4.654 4.350 0.000 0.000 0.281 329 T C -0.051 174.664 174.700 0.025 0.000 0.998 329 T CA -1.052 61.064 62.100 0.026 0.000 1.019 329 T CB 1.508 70.407 68.868 0.052 0.000 1.061 329 T HN 0.348 nan 8.240 nan 0.000 0.518 330 Q N 0.712 120.541 119.800 0.048 0.000 2.303 330 Q HA 0.507 4.847 4.340 0.000 0.000 0.257 330 Q C 0.414 176.440 176.000 0.044 0.000 0.941 330 Q CA -0.213 55.616 55.803 0.042 0.000 0.931 330 Q CB 1.237 30.007 28.738 0.053 0.000 1.215 330 Q HN 1.232 nan 8.270 nan 0.000 0.437 331 A N 2.545 125.383 122.820 0.030 0.000 2.466 331 A HA -0.154 4.166 4.320 0.000 0.000 0.295 331 A C 1.169 178.790 177.584 0.060 0.000 1.465 331 A CA 1.035 53.092 52.037 0.034 0.000 0.744 331 A CB -2.141 16.881 19.000 0.036 0.000 1.098 331 A HN 1.435 nan 8.150 nan 0.000 0.402 332 G N -0.265 108.586 108.800 0.086 0.000 2.269 332 G HA2 -0.273 3.687 3.960 0.000 0.000 0.277 332 G HA3 -0.273 3.687 3.960 0.000 0.000 0.277 332 G C 0.108 175.100 174.900 0.154 0.000 1.008 332 G CA 1.165 46.378 45.100 0.188 0.000 0.774 332 G HN 1.762 nan 8.290 nan 0.000 0.511 333 D N 0.346 120.809 120.400 0.105 0.000 2.498 333 D HA 0.291 4.931 4.640 0.000 0.000 0.229 333 D C 1.745 178.105 176.300 0.101 0.000 1.188 333 D CA 0.228 54.279 54.000 0.086 0.000 1.028 333 D CB 0.244 41.087 40.800 0.072 0.000 1.087 333 D HN 0.592 nan 8.370 nan 0.000 0.510 334 V N 1.108 121.088 119.914 0.110 0.000 3.623 334 V HA 0.086 4.206 4.120 0.000 0.000 0.274 334 V C 1.155 177.296 176.094 0.078 0.000 1.244 334 V CA 0.566 62.934 62.300 0.113 0.000 1.182 334 V CB -0.208 31.693 31.823 0.130 0.000 0.925 334 V HN 0.272 nan 8.190 nan 0.000 0.462 335 S N 0.469 116.210 115.700 0.068 0.000 2.524 335 S HA 0.571 5.041 4.470 0.000 0.000 0.215 335 S C 1.318 175.969 174.600 0.086 0.000 0.986 335 S CA 0.321 58.559 58.200 0.063 0.000 0.911 335 S CB 0.182 63.407 63.200 0.042 0.000 0.805 335 S HN 0.935 nan 8.310 nan 0.000 0.501 336 A N 0.835 123.716 122.820 0.101 0.000 2.455 336 A HA 0.241 4.561 4.320 0.000 0.000 0.244 336 A C 0.959 178.658 177.584 0.193 0.000 1.099 336 A CA -0.054 52.065 52.037 0.136 0.000 0.786 336 A CB -0.239 18.841 19.000 0.134 0.000 1.051 336 A HN 0.325 nan 8.150 nan 0.000 0.508 337 Y N 0.774 121.104 120.300 0.051 0.000 2.030 337 Y HA -0.243 4.307 4.550 0.000 0.000 0.274 337 Y C 1.988 177.894 175.900 0.011 0.000 1.153 337 Y CA 2.330 60.450 58.100 0.034 0.000 1.115 337 Y CB -0.377 38.109 38.460 0.044 0.000 0.969 337 Y HN 0.489 nan 8.280 nan 0.000 0.488 338 I N 0.461 121.018 120.570 -0.022 0.000 2.142 338 I HA -0.186 3.984 4.170 0.000 0.000 0.240 338 I C -0.382 175.724 176.117 -0.019 0.000 1.078 338 I CA 1.241 62.450 61.300 -0.153 0.000 1.343 338 I CB -2.883 35.002 38.000 -0.191 0.000 1.046 338 I HN 0.143 nan 8.210 nan 0.000 0.405 339 P HA -0.128 nan 4.420 nan 0.000 0.216 339 P C 1.706 179.044 177.300 0.064 0.000 1.150 339 P CA 2.167 65.296 63.100 0.049 0.000 0.843 339 P CB -0.308 31.435 31.700 0.073 0.000 0.787 340 T N -3.871 110.735 114.554 0.087 0.000 2.942 340 T HA -0.035 4.315 4.350 0.000 0.000 0.265 340 T C 1.719 176.488 174.700 0.115 0.000 1.062 340 T CA 0.781 62.940 62.100 0.098 0.000 1.139 340 T CB -0.945 67.989 68.868 0.111 0.000 0.883 340 T HN -0.022 nan 8.240 nan 0.000 0.468 341 N N 1.661 120.429 118.700 0.114 0.000 2.013 341 N HA -0.077 4.663 4.740 0.000 0.000 0.195 341 N C 2.041 177.663 175.510 0.186 0.000 1.051 341 N CA 1.377 54.548 53.050 0.202 0.000 0.851 341 N CB -0.900 37.644 38.487 0.094 0.000 1.044 341 N HN 0.273 nan 8.380 nan 0.000 0.422 342 V N 1.925 121.886 119.914 0.079 0.000 2.490 342 V HA -0.155 3.965 4.120 0.000 0.000 0.250 342 V C 2.231 178.347 176.094 0.037 0.000 1.061 342 V CA 1.063 63.369 62.300 0.009 0.000 1.064 342 V CB -0.455 31.317 31.823 -0.085 0.000 0.670 342 V HN 0.277 nan 8.190 nan 0.000 0.461 343 I N 1.217 121.824 120.570 0.060 0.000 2.454 343 I HA -0.188 3.982 4.170 0.000 0.000 0.254 343 I C 2.418 178.584 176.117 0.081 0.000 1.156 343 I CA 1.713 63.050 61.300 0.062 0.000 1.433 343 I CB -0.351 37.687 38.000 0.063 0.000 1.082 343 I HN 0.503 nan 8.210 nan 0.000 0.432 344 S N -0.005 115.773 115.700 0.130 0.000 2.527 344 S HA 0.117 4.587 4.470 0.000 0.000 0.222 344 S C 1.651 176.363 174.600 0.187 0.000 0.985 344 S CA 0.174 58.472 58.200 0.164 0.000 0.921 344 S CB -0.217 63.108 63.200 0.208 0.000 0.772 344 S HN 0.411 nan 8.310 nan 0.000 0.529 345 I N 1.920 122.571 120.570 0.134 0.000 2.685 345 I HA 0.039 4.209 4.170 0.000 0.000 0.251 345 I C 1.657 177.793 176.117 0.031 0.000 1.102 345 I CA 0.705 62.042 61.300 0.063 0.000 1.442 345 I CB -0.692 37.280 38.000 -0.046 0.000 1.194 345 I HN 0.339 nan 8.210 nan 0.000 0.448 346 T N -1.261 113.302 114.554 0.015 0.000 2.667 346 T HA 0.028 4.378 4.350 0.000 0.000 0.305 346 T C 0.293 175.005 174.700 0.020 0.000 1.022 346 T CA -0.277 61.828 62.100 0.008 0.000 0.995 346 T CB 0.468 69.335 68.868 -0.001 0.000 1.026 346 T HN 0.092 nan 8.240 nan 0.000 0.527 347 D N 0.539 120.948 120.400 0.015 0.000 2.722 347 D HA 0.433 5.073 4.640 0.000 0.000 0.239 347 D C 0.906 177.217 176.300 0.018 0.000 1.249 347 D CA 0.213 54.222 54.000 0.016 0.000 0.830 347 D CB -0.170 40.636 40.800 0.011 0.000 1.025 347 D HN 0.974 nan 8.370 nan 0.000 0.486 348 G N 0.690 109.503 108.800 0.022 0.000 2.347 348 G HA2 0.175 4.135 3.960 0.000 0.000 0.341 348 G HA3 0.175 4.135 3.960 0.000 0.000 0.341 348 G C -1.820 173.099 174.900 0.031 0.000 1.287 348 G CA -0.970 44.146 45.100 0.026 0.000 0.984 348 G HN 0.084 nan 8.290 nan 0.000 0.526 349 Q N -1.337 118.488 119.800 0.042 0.000 2.472 349 Q HA 0.725 5.065 4.340 0.000 0.000 0.281 349 Q C -0.800 175.241 176.000 0.069 0.000 0.997 349 Q CA -0.595 55.240 55.803 0.054 0.000 0.828 349 Q CB 2.014 30.798 28.738 0.077 0.000 1.443 349 Q HN 0.751 nan 8.270 nan 0.000 0.390 350 I N 1.601 122.210 120.570 0.065 0.000 2.354 350 I HA 0.466 4.636 4.170 0.000 0.000 0.292 350 I C -0.989 175.194 176.117 0.110 0.000 0.989 350 I CA -0.792 60.554 61.300 0.077 0.000 1.188 350 I CB 0.856 38.881 38.000 0.041 0.000 1.342 350 I HN 0.548 nan 8.210 nan 0.000 0.457 351 F N 7.593 127.549 119.950 0.009 0.000 2.415 351 F HA 0.585 5.112 4.527 0.000 0.000 0.348 351 F C -0.994 174.812 175.800 0.010 0.000 1.119 351 F CA -0.538 57.466 58.000 0.006 0.000 1.069 351 F CB 0.866 39.869 39.000 0.004 0.000 1.124 351 F HN 0.214 nan 8.300 nan 0.000 0.472 352 L N 6.275 127.115 121.223 -0.639 0.000 2.287 352 L HA 0.393 4.733 4.340 0.000 0.000 0.287 352 L C -0.388 176.066 176.870 -0.694 0.000 1.022 352 L CA -0.485 54.111 54.840 -0.406 0.000 0.814 352 L CB 1.398 43.303 42.059 -0.258 0.000 1.217 352 L HN 0.581 nan 8.230 nan 0.000 0.420 353 E N 1.539 121.654 120.200 -0.141 0.000 2.266 353 E HA 0.171 4.521 4.350 0.000 0.000 0.277 353 E C 0.306 176.868 176.600 -0.064 0.000 1.018 353 E CA -0.393 56.055 56.400 0.081 0.000 0.840 353 E CB 1.757 31.648 29.700 0.318 0.000 1.082 353 E HN 0.545 nan 8.360 nan 0.000 0.395 354 T N 2.470 116.933 114.554 -0.152 0.000 2.746 354 T HA -0.147 4.203 4.350 0.000 0.000 0.267 354 T C 1.342 175.842 174.700 -0.333 0.000 1.039 354 T CA 1.042 62.904 62.100 -0.396 0.000 1.142 354 T CB 0.040 68.650 68.868 -0.430 0.000 0.866 354 T HN 0.372 nan 8.240 nan 0.000 0.444 355 E N 1.285 121.424 120.200 -0.102 0.000 2.023 355 E HA -0.071 4.279 4.350 0.000 0.000 0.196 355 E C 2.383 179.026 176.600 0.071 0.000 1.003 355 E CA 0.942 57.343 56.400 0.002 0.000 0.809 355 E CB -0.745 28.981 29.700 0.042 0.000 0.755 355 E HN 0.448 nan 8.360 nan 0.000 0.449 356 L N 0.045 121.322 121.223 0.089 0.000 2.021 356 L HA -0.228 4.112 4.340 0.000 0.000 0.215 356 L C 2.562 179.524 176.870 0.154 0.000 1.074 356 L CA 1.504 56.412 54.840 0.113 0.000 0.760 356 L CB -0.563 41.566 42.059 0.115 0.000 0.889 356 L HN 0.061 nan 8.230 nan 0.000 0.433 357 F N -0.204 119.745 119.950 -0.002 0.000 2.051 357 F HA -0.290 4.237 4.527 -0.000 0.000 0.296 357 F C 2.524 178.449 175.800 0.207 0.000 1.122 357 F CA 1.574 59.611 58.000 0.063 0.000 1.201 357 F CB -0.423 38.589 39.000 0.020 0.000 0.978 357 F HN -0.044 nan 8.300 nan 0.000 0.472 358 Y N 0.607 121.110 120.300 0.338 0.000 2.256 358 Y HA -0.165 4.385 4.550 -0.000 0.000 0.288 358 Y C 2.333 178.281 175.900 0.080 0.000 1.155 358 Y CA 1.057 59.283 58.100 0.211 0.000 1.203 358 Y CB -1.373 37.197 38.460 0.182 0.000 0.980 358 Y HN 0.147 nan 8.280 nan 0.000 0.530 359 K N -0.292 120.241 120.400 0.222 0.000 2.589 359 K HA 0.037 4.357 4.320 0.000 0.000 0.192 359 K C 1.333 177.967 176.600 0.056 0.000 1.029 359 K CA 0.643 57.000 56.287 0.118 0.000 1.031 359 K CB -0.377 32.184 32.500 0.102 0.000 0.821 359 K HN 0.493 nan 8.250 nan 0.000 0.502 360 G N 1.005 109.814 108.800 0.015 0.000 2.205 360 G HA2 -0.223 3.737 3.960 0.000 0.000 0.261 360 G HA3 -0.223 3.737 3.960 0.000 0.000 0.261 360 G C 0.140 174.991 174.900 -0.082 0.000 0.980 360 G CA 0.037 45.097 45.100 -0.067 0.000 0.632 360 G HN 0.227 nan 8.290 nan 0.000 0.533 361 I N 2.022 122.574 120.570 -0.030 0.000 2.494 361 I HA 0.285 4.455 4.170 0.000 0.000 0.289 361 I C 0.838 176.929 176.117 -0.043 0.000 1.106 361 I CA 0.527 61.819 61.300 -0.014 0.000 1.369 361 I CB -0.178 37.843 38.000 0.035 0.000 1.410 361 I HN 0.197 nan 8.210 nan 0.000 0.523 362 R N 7.835 128.298 120.500 -0.061 0.000 2.538 362 R HA 0.438 4.778 4.340 0.000 0.000 0.292 362 R C -2.637 173.645 176.300 -0.030 0.000 1.008 362 R CA -1.698 54.359 56.100 -0.070 0.000 0.896 362 R CB 2.467 32.668 30.300 -0.164 0.000 1.187 362 R HN 0.310 nan 8.270 nan 0.000 0.440 363 P HA 0.042 nan 4.420 nan 0.000 0.271 363 P C -0.349 176.980 177.300 0.049 0.000 1.216 363 P CA -0.224 62.890 63.100 0.023 0.000 0.776 363 P CB 0.948 32.663 31.700 0.025 0.000 0.881 364 A N 4.534 127.410 122.820 0.094 0.000 3.074 364 A HA 0.223 4.543 4.320 0.000 0.000 0.251 364 A C 0.623 178.262 177.584 0.093 0.000 1.695 364 A CA -0.340 51.764 52.037 0.111 0.000 1.343 364 A CB -1.490 17.633 19.000 0.205 0.000 1.078 364 A HN 0.488 nan 8.150 nan 0.000 0.644 365 I N 0.847 121.468 120.570 0.085 0.000 2.428 365 I HA 0.069 4.239 4.170 0.000 0.000 0.289 365 I C 0.622 176.822 176.117 0.138 0.000 1.019 365 I CA -0.369 60.991 61.300 0.100 0.000 1.351 365 I CB 0.973 39.018 38.000 0.076 0.000 1.412 365 I HN 0.376 nan 8.210 nan 0.000 0.513 366 N N 6.307 125.134 118.700 0.210 0.000 3.083 366 N HA 0.084 4.824 4.740 0.000 0.000 0.260 366 N C 0.879 176.461 175.510 0.120 0.000 1.163 366 N CA -0.050 53.114 53.050 0.190 0.000 1.060 366 N CB 0.720 39.375 38.487 0.280 0.000 1.345 366 N HN 0.452 nan 8.380 nan 0.000 0.515 367 V N 2.468 122.438 119.914 0.093 0.000 2.277 367 V HA -0.316 3.804 4.120 0.000 0.000 0.255 367 V C 2.372 178.496 176.094 0.049 0.000 1.074 367 V CA 2.491 64.832 62.300 0.069 0.000 1.058 367 V CB -1.000 30.863 31.823 0.066 0.000 0.656 367 V HN 0.688 nan 8.190 nan 0.000 0.449 368 G N -0.901 107.919 108.800 0.033 0.000 2.432 368 G HA2 -0.172 3.788 3.960 0.000 0.000 0.219 368 G HA3 -0.172 3.788 3.960 0.000 0.000 0.219 368 G C 1.376 176.268 174.900 -0.014 0.000 1.135 368 G CA 0.869 45.972 45.100 0.005 0.000 0.767 368 G HN 0.539 nan 8.290 nan 0.000 0.550 369 L N 0.722 121.930 121.223 -0.026 0.000 2.640 369 L HA 0.250 4.590 4.340 0.000 0.000 0.230 369 L C 0.683 177.560 176.870 0.013 0.000 1.123 369 L CA -0.290 54.514 54.840 -0.059 0.000 0.900 369 L CB 0.398 42.327 42.059 -0.217 0.000 1.146 369 L HN -0.012 nan 8.230 nan 0.000 0.484 370 S N 0.189 115.924 115.700 0.059 0.000 2.584 370 S HA 0.557 5.027 4.470 0.000 0.000 0.273 370 S C -0.001 174.627 174.600 0.048 0.000 1.311 370 S CA -0.491 57.758 58.200 0.082 0.000 1.034 370 S CB 1.985 65.241 63.200 0.094 0.000 0.939 370 S HN -0.009 nan 8.310 nan 0.000 0.513 371 V N 0.480 120.421 119.914 0.044 0.000 3.160 371 V HA 0.836 4.956 4.120 0.000 0.000 0.310 371 V C -0.376 175.735 176.094 0.028 0.000 1.181 371 V CA -0.916 61.403 62.300 0.031 0.000 1.047 371 V CB 2.026 33.864 31.823 0.025 0.000 1.068 371 V HN 0.719 nan 8.190 nan 0.000 0.441 372 S N -0.372 115.341 115.700 0.021 0.000 2.673 372 S HA 0.395 4.865 4.470 0.000 0.000 0.256 372 S C 0.638 175.246 174.600 0.013 0.000 1.141 372 S CA -0.688 57.522 58.200 0.016 0.000 1.109 372 S CB 0.905 64.113 63.200 0.013 0.000 1.101 372 S HN 0.740 nan 8.310 nan 0.000 0.471 373 R N 1.980 122.488 120.500 0.013 0.000 2.148 373 R HA 0.014 4.354 4.340 0.000 0.000 0.227 373 R C 1.110 177.415 176.300 0.009 0.000 1.103 373 R CA 1.551 57.658 56.100 0.012 0.000 0.983 373 R CB -0.187 30.122 30.300 0.015 0.000 0.874 373 R HN 0.536 nan 8.270 nan 0.000 0.451 374 V N -3.996 115.921 119.914 0.006 0.000 2.872 374 V HA 0.487 4.607 4.120 0.000 0.000 0.367 374 V C 0.595 176.687 176.094 -0.003 0.000 1.343 374 V CA -0.046 62.255 62.300 0.002 0.000 1.219 374 V CB 0.804 32.627 31.823 0.001 0.000 1.308 374 V HN 0.156 nan 8.190 nan 0.000 0.610 375 G N 0.790 109.589 108.800 -0.002 0.000 2.724 375 G HA2 0.035 3.994 3.960 0.000 0.000 0.205 375 G HA3 0.035 3.994 3.960 0.000 0.000 0.205 375 G C 1.288 176.185 174.900 -0.005 0.000 1.112 375 G CA 1.081 46.178 45.100 -0.006 0.000 0.793 375 G HN 0.529 nan 8.290 nan 0.000 0.526 376 S N 2.159 117.859 115.700 0.001 0.000 2.380 376 S HA -0.250 4.220 4.470 0.000 0.000 0.229 376 S C 2.743 177.343 174.600 -0.000 0.000 1.050 376 S CA 1.697 59.898 58.200 0.003 0.000 1.100 376 S CB -0.833 62.371 63.200 0.006 0.000 0.984 376 S HN 0.605 nan 8.310 nan 0.000 0.434 377 A N 1.596 124.415 122.820 -0.002 0.000 1.986 377 A HA 0.036 4.356 4.320 0.000 0.000 0.220 377 A C 2.231 179.809 177.584 -0.010 0.000 1.171 377 A CA 1.900 53.935 52.037 -0.004 0.000 0.640 377 A CB -1.007 17.991 19.000 -0.003 0.000 0.811 377 A HN 0.690 nan 8.150 nan 0.000 0.451 378 A N -1.513 121.298 122.820 -0.016 0.000 2.251 378 A HA 0.210 4.530 4.320 0.000 0.000 0.209 378 A C 1.089 178.659 177.584 -0.024 0.000 1.187 378 A CA 0.218 52.238 52.037 -0.028 0.000 0.823 378 A CB -0.226 18.750 19.000 -0.041 0.000 0.846 378 A HN 0.632 nan 8.150 nan 0.000 0.486 379 Q N 1.094 120.887 119.800 -0.011 0.000 2.288 379 Q HA 0.271 4.611 4.340 0.000 0.000 0.254 379 Q C -0.527 175.473 176.000 -0.000 0.000 0.932 379 Q CA -0.301 55.500 55.803 -0.004 0.000 0.902 379 Q CB 0.625 29.365 28.738 0.004 0.000 1.203 379 Q HN 0.418 nan 8.270 nan 0.000 0.415 380 T N 3.133 117.689 114.554 0.003 0.000 2.946 380 T HA -0.033 4.317 4.350 0.000 0.000 0.311 380 T C 0.948 175.654 174.700 0.011 0.000 1.063 380 T CA -0.360 61.744 62.100 0.007 0.000 1.139 380 T CB 0.696 69.571 68.868 0.013 0.000 0.994 380 T HN 0.644 nan 8.240 nan 0.000 0.547 381 R N 2.599 123.105 120.500 0.010 0.000 2.105 381 R HA -0.090 4.250 4.340 0.000 0.000 0.239 381 R C 2.414 178.725 176.300 0.018 0.000 1.135 381 R CA 1.928 58.036 56.100 0.013 0.000 0.967 381 R CB -1.191 29.116 30.300 0.011 0.000 0.861 381 R HN 0.800 nan 8.270 nan 0.000 0.442 382 A N 0.308 123.137 122.820 0.015 0.000 1.892 382 A HA -0.218 4.102 4.320 0.000 0.000 0.218 382 A C 2.198 179.801 177.584 0.031 0.000 1.188 382 A CA 1.910 53.957 52.037 0.017 0.000 0.631 382 A CB -0.508 18.496 19.000 0.006 0.000 0.822 382 A HN 0.340 nan 8.150 nan 0.000 0.447 383 M N -1.388 118.229 119.600 0.029 0.000 2.099 383 M HA -0.090 4.390 4.480 0.000 0.000 0.262 383 M C 2.068 178.390 176.300 0.036 0.000 1.067 383 M CA 1.739 57.059 55.300 0.035 0.000 1.124 383 M CB -0.952 31.665 32.600 0.028 0.000 1.353 383 M HN 0.287 nan 8.290 nan 0.000 0.410 384 K N 0.534 120.951 120.400 0.028 0.000 2.144 384 K HA -0.216 4.104 4.320 0.000 0.000 0.209 384 K C 1.967 178.588 176.600 0.034 0.000 1.047 384 K CA 1.675 57.978 56.287 0.027 0.000 0.927 384 K CB -0.283 32.230 32.500 0.021 0.000 0.716 384 K HN 0.498 nan 8.250 nan 0.000 0.454 385 Q N -0.746 119.080 119.800 0.043 0.000 2.016 385 Q HA -0.106 4.234 4.340 0.000 0.000 0.200 385 Q C 2.139 178.181 176.000 0.071 0.000 0.978 385 Q CA 1.849 57.686 55.803 0.057 0.000 0.833 385 Q CB -0.106 28.673 28.738 0.068 0.000 0.895 385 Q HN 0.384 nan 8.270 nan 0.000 0.427 386 V N -2.587 117.379 119.914 0.086 0.000 2.436 386 V HA 0.179 4.299 4.120 0.000 0.000 0.240 386 V C 2.230 178.358 176.094 0.058 0.000 1.040 386 V CA 1.054 63.410 62.300 0.093 0.000 1.052 386 V CB -1.064 30.851 31.823 0.154 0.000 0.707 386 V HN 0.211 nan 8.190 nan 0.000 0.469 387 A N 1.535 124.387 122.820 0.052 0.000 1.986 387 A HA -0.035 4.285 4.320 0.000 0.000 0.220 387 A C 2.344 179.946 177.584 0.030 0.000 1.171 387 A CA 2.282 54.342 52.037 0.039 0.000 0.640 387 A CB -1.588 17.433 19.000 0.036 0.000 0.811 387 A HN 0.807 nan 8.150 nan 0.000 0.451 388 G N -0.413 108.405 108.800 0.030 0.000 2.446 388 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 388 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 388 G C 1.653 176.565 174.900 0.019 0.000 1.168 388 G CA 1.935 47.049 45.100 0.024 0.000 0.771 388 G HN 0.647 nan 8.290 nan 0.000 0.551 389 T N -1.025 113.539 114.554 0.018 0.000 3.055 389 T HA 0.102 4.452 4.350 0.000 0.000 0.265 389 T C 2.223 176.926 174.700 0.005 0.000 1.111 389 T CA 1.036 63.141 62.100 0.008 0.000 1.118 389 T CB -0.034 68.834 68.868 -0.000 0.000 0.909 389 T HN 0.243 nan 8.240 nan 0.000 0.501 390 M N 0.472 120.078 119.600 0.011 0.000 2.200 390 M HA 0.045 4.525 4.480 0.000 0.000 0.265 390 M C 2.258 178.569 176.300 0.017 0.000 1.066 390 M CA 1.491 56.796 55.300 0.008 0.000 1.127 390 M CB -0.075 32.534 32.600 0.015 0.000 1.379 390 M HN 0.095 nan 8.290 nan 0.000 0.420 391 K N 0.663 121.076 120.400 0.022 0.000 2.057 391 K HA -0.066 4.254 4.320 0.000 0.000 0.206 391 K C 1.676 178.293 176.600 0.028 0.000 1.050 391 K CA 1.476 57.780 56.287 0.027 0.000 0.935 391 K CB -0.491 32.024 32.500 0.025 0.000 0.715 391 K HN 0.422 nan 8.250 nan 0.000 0.439 392 L N 0.330 121.566 121.223 0.021 0.000 1.994 392 L HA -0.187 4.153 4.340 0.000 0.000 0.208 392 L C 2.286 179.171 176.870 0.026 0.000 1.071 392 L CA 1.802 56.654 54.840 0.020 0.000 0.745 392 L CB -0.804 41.263 42.059 0.012 0.000 0.892 392 L HN 0.285 nan 8.230 nan 0.000 0.431 393 E N 0.598 120.810 120.200 0.020 0.000 2.085 393 E HA -0.220 4.130 4.350 0.000 0.000 0.194 393 E C 2.337 178.974 176.600 0.062 0.000 0.994 393 E CA 1.141 57.554 56.400 0.023 0.000 0.801 393 E CB -0.227 29.469 29.700 -0.007 0.000 0.743 393 E HN 0.445 nan 8.360 nan 0.000 0.453 394 L N 0.359 121.622 121.223 0.067 0.000 2.362 394 L HA -0.117 4.223 4.340 0.000 0.000 0.219 394 L C 2.373 179.328 176.870 0.142 0.000 1.134 394 L CA 0.479 55.399 54.840 0.134 0.000 0.807 394 L CB -0.271 41.849 42.059 0.102 0.000 0.927 394 L HN 0.153 nan 8.230 nan 0.000 0.447 395 A N -0.324 122.544 122.820 0.079 0.000 1.854 395 A HA -0.201 4.119 4.320 0.000 0.000 0.214 395 A C 2.188 179.800 177.584 0.045 0.000 1.192 395 A CA 1.106 53.173 52.037 0.049 0.000 0.611 395 A CB -0.372 18.645 19.000 0.029 0.000 0.832 395 A HN 0.384 nan 8.150 nan 0.000 0.442 396 Q N -1.529 118.305 119.800 0.056 0.000 2.029 396 Q HA -0.282 4.058 4.340 0.000 0.000 0.209 396 Q C 2.054 178.098 176.000 0.073 0.000 0.999 396 Q CA 2.236 58.070 55.803 0.051 0.000 0.857 396 Q CB -0.578 28.193 28.738 0.054 0.000 0.926 396 Q HN 0.799 nan 8.270 nan 0.000 0.415 397 Y N 1.371 121.664 120.300 -0.010 0.000 2.040 397 Y HA -0.334 4.216 4.550 0.000 0.000 0.275 397 Y C 2.408 178.304 175.900 -0.006 0.000 1.171 397 Y CA 2.109 60.204 58.100 -0.009 0.000 1.123 397 Y CB -0.406 38.049 38.460 -0.009 0.000 0.963 397 Y HN -0.055 nan 8.280 nan 0.000 0.493 398 R N 0.259 120.642 120.500 -0.196 0.000 2.119 398 R HA -0.261 4.079 4.340 0.000 0.000 0.246 398 R C 2.170 178.341 176.300 -0.216 0.000 1.146 398 R CA 2.320 58.251 56.100 -0.281 0.000 0.962 398 R CB -0.308 29.944 30.300 -0.081 0.000 0.863 398 R HN 0.599 nan 8.270 nan 0.000 0.442 399 E N -0.908 119.222 120.200 -0.118 0.000 2.153 399 E HA -0.155 4.195 4.350 0.000 0.000 0.194 399 E C 1.863 178.406 176.600 -0.096 0.000 0.988 399 E CA 1.427 57.777 56.400 -0.084 0.000 0.811 399 E CB 0.184 29.859 29.700 -0.042 0.000 0.746 399 E HN 0.190 nan 8.360 nan 0.000 0.466 400 V N 1.084 120.927 119.914 -0.118 0.000 2.426 400 V HA 0.026 4.146 4.120 0.000 0.000 0.242 400 V C 1.318 177.331 176.094 -0.134 0.000 1.036 400 V CA 0.739 62.983 62.300 -0.093 0.000 1.044 400 V CB -0.477 31.323 31.823 -0.039 0.000 0.688 400 V HN 0.237 nan 8.190 nan 0.000 0.462 411 D N 0.031 120.431 120.400 -0.000 0.000 5.791 411 D HA -0.031 4.609 4.640 0.000 0.000 0.232 411 D C 0.517 176.817 176.300 -0.001 0.000 1.696 411 D CA 0.820 54.820 54.000 -0.001 0.000 1.436 411 D CB -0.018 40.782 40.800 -0.001 0.000 0.597 411 D HN 0.928 nan 8.370 nan 0.000 0.322 412 A N 4.028 126.846 122.820 -0.004 0.000 1.903 412 A HA 0.051 4.371 4.320 0.000 0.000 0.219 412 A C 2.463 180.044 177.584 -0.006 0.000 1.191 412 A CA 3.640 55.674 52.037 -0.006 0.000 0.638 412 A CB -1.096 17.899 19.000 -0.009 0.000 0.823 412 A HN 1.407 nan 8.150 nan 0.000 0.451 413 A N -0.459 122.358 122.820 -0.005 0.000 1.837 413 A HA -0.200 4.120 4.320 0.000 0.000 0.216 413 A C 2.548 180.133 177.584 0.001 0.000 1.210 413 A CA 3.550 55.585 52.037 -0.004 0.000 0.632 413 A CB -1.788 17.209 19.000 -0.004 0.000 0.843 413 A HN 1.084 nan 8.150 nan 0.000 0.448 414 T N -2.251 112.306 114.554 0.005 0.000 2.778 414 T HA -0.287 4.063 4.350 0.000 0.000 0.269 414 T C 1.864 176.576 174.700 0.021 0.000 1.050 414 T CA 1.939 64.047 62.100 0.013 0.000 1.137 414 T CB -0.582 68.293 68.868 0.010 0.000 0.860 414 T HN 0.586 nan 8.240 nan 0.000 0.468 415 Q N 0.691 120.498 119.800 0.012 0.000 2.014 415 Q HA -0.229 4.111 4.340 0.000 0.000 0.207 415 Q C 2.611 178.617 176.000 0.009 0.000 0.993 415 Q CA 2.186 57.996 55.803 0.012 0.000 0.850 415 Q CB -0.334 28.405 28.738 0.003 0.000 0.916 415 Q HN 0.710 nan 8.270 nan 0.000 0.417 416 Q N 0.246 120.044 119.800 -0.002 0.000 2.096 416 Q HA -0.234 4.106 4.340 0.000 0.000 0.208 416 Q C 2.044 178.040 176.000 -0.007 0.000 0.993 416 Q CA 1.573 57.367 55.803 -0.015 0.000 0.862 416 Q CB -0.162 28.563 28.738 -0.022 0.000 0.915 416 Q HN 0.405 nan 8.270 nan 0.000 0.416 417 L N -0.047 121.187 121.223 0.018 0.000 2.083 417 L HA -0.210 4.130 4.340 0.000 0.000 0.209 417 L C 2.372 179.301 176.870 0.098 0.000 1.083 417 L CA 0.783 55.653 54.840 0.049 0.000 0.752 417 L CB -0.422 41.678 42.059 0.068 0.000 0.899 417 L HN 0.280 nan 8.230 nan 0.000 0.433 418 L N -1.188 120.105 121.223 0.116 0.000 2.056 418 L HA -0.168 4.172 4.340 0.000 0.000 0.207 418 L C 2.801 179.686 176.870 0.026 0.000 1.078 418 L CA 0.906 55.853 54.840 0.178 0.000 0.749 418 L CB -0.520 41.620 42.059 0.134 0.000 0.901 418 L HN 0.138 nan 8.230 nan 0.000 0.433 419 S N -0.685 115.006 115.700 -0.014 0.000 2.359 419 S HA -0.163 4.307 4.470 0.000 0.000 0.224 419 S C 2.212 176.739 174.600 -0.122 0.000 1.035 419 S CA 1.159 59.323 58.200 -0.060 0.000 1.018 419 S CB -0.105 63.064 63.200 -0.052 0.000 0.876 419 S HN 0.263 nan 8.310 nan 0.000 0.448 420 R N 0.376 120.800 120.500 -0.126 0.000 2.070 420 R HA -0.060 4.280 4.340 0.000 0.000 0.233 420 R C 2.536 178.666 176.300 -0.284 0.000 1.137 420 R CA 1.388 57.391 56.100 -0.163 0.000 0.945 420 R CB -1.445 28.784 30.300 -0.118 0.000 0.845 420 R HN 0.510 nan 8.270 nan 0.000 0.430 421 G N 1.131 109.659 108.800 -0.453 0.000 2.599 421 G HA2 -0.312 3.648 3.960 0.000 0.000 0.219 421 G HA3 -0.312 3.648 3.960 0.000 0.000 0.219 421 G C 1.535 175.843 174.900 -0.987 0.000 1.193 421 G CA 2.246 46.660 45.100 -1.142 0.000 0.778 421 G HN 0.333 nan 8.290 nan 0.000 0.589 422 V N -0.803 118.692 119.914 -0.699 0.000 2.392 422 V HA -0.157 3.963 4.120 0.000 0.000 0.249 422 V C 2.789 178.759 176.094 -0.207 0.000 1.059 422 V CA 2.102 64.210 62.300 -0.320 0.000 1.051 422 V CB -0.654 31.088 31.823 -0.135 0.000 0.658 422 V HN 0.209 nan 8.190 nan 0.000 0.455 423 R N 1.016 121.394 120.500 -0.204 0.000 2.070 423 R HA 0.099 4.439 4.340 0.000 0.000 0.227 423 R C 2.472 178.695 176.300 -0.129 0.000 1.147 423 R CA 1.752 57.766 56.100 -0.145 0.000 0.924 423 R CB -1.472 28.738 30.300 -0.148 0.000 0.827 423 R HN 0.499 nan 8.270 nan 0.000 0.431 424 L N 1.005 122.140 121.223 -0.147 0.000 2.064 424 L HA -0.260 4.080 4.340 0.000 0.000 0.216 424 L C 2.433 179.257 176.870 -0.077 0.000 1.077 424 L CA 2.048 56.828 54.840 -0.100 0.000 0.766 424 L CB -1.163 40.835 42.059 -0.102 0.000 0.890 424 L HN 0.284 nan 8.230 nan 0.000 0.435 425 T N -1.063 113.423 114.554 -0.114 0.000 2.759 425 T HA -0.168 4.182 4.350 0.000 0.000 0.269 425 T C 1.774 176.459 174.700 -0.025 0.000 1.042 425 T CA 1.291 63.358 62.100 -0.053 0.000 1.140 425 T CB -0.161 68.674 68.868 -0.056 0.000 0.864 425 T HN 0.342 nan 8.240 nan 0.000 0.455 426 E N 1.118 121.296 120.200 -0.038 0.000 2.072 426 E HA 0.018 4.368 4.350 0.000 0.000 0.191 426 E C 2.319 178.920 176.600 0.002 0.000 0.985 426 E CA 0.646 57.039 56.400 -0.012 0.000 0.801 426 E CB -0.480 29.211 29.700 -0.015 0.000 0.750 426 E HN 0.469 nan 8.360 nan 0.000 0.452 427 L N 0.548 121.769 121.223 -0.004 0.000 2.191 427 L HA -0.139 4.201 4.340 0.000 0.000 0.212 427 L C 2.313 179.196 176.870 0.022 0.000 1.103 427 L CA 0.651 55.502 54.840 0.018 0.000 0.769 427 L CB -0.337 41.732 42.059 0.017 0.000 0.908 427 L HN 0.088 nan 8.230 nan 0.000 0.438 428 L N -0.847 120.385 121.223 0.015 0.000 2.552 428 L HA -0.040 4.300 4.340 0.000 0.000 0.227 428 L C 0.904 177.785 176.870 0.019 0.000 1.146 428 L CA 0.310 55.163 54.840 0.021 0.000 0.858 428 L CB -0.480 41.594 42.059 0.025 0.000 0.969 428 L HN 0.127 nan 8.230 nan 0.000 0.451 429 K N 1.645 122.054 120.400 0.015 0.000 2.350 429 K HA 0.223 4.543 4.320 0.000 0.000 0.279 429 K C -0.186 176.419 176.600 0.008 0.000 1.027 429 K CA 0.199 56.491 56.287 0.009 0.000 0.969 429 K CB 0.927 33.432 32.500 0.007 0.000 0.954 429 K HN 0.018 nan 8.250 nan 0.000 0.474 430 Q N 0.923 120.721 119.800 -0.004 0.000 2.327 430 Q HA 0.300 4.640 4.340 0.000 0.000 0.265 430 Q C -0.546 175.439 176.000 -0.025 0.000 0.993 430 Q CA -0.550 55.249 55.803 -0.006 0.000 0.885 430 Q CB 1.625 30.363 28.738 -0.001 0.000 1.379 430 Q HN 0.777 nan 8.270 nan 0.000 0.408 431 G N 1.578 110.365 108.800 -0.023 0.000 2.529 431 G HA2 0.124 4.084 3.960 0.000 0.000 0.277 431 G HA3 0.124 4.084 3.960 0.000 0.000 0.277 431 G C -0.737 174.116 174.900 -0.078 0.000 1.383 431 G CA -0.128 44.948 45.100 -0.041 0.000 1.050 431 G HN 0.613 nan 8.290 nan 0.000 0.526 432 Q N -2.174 117.551 119.800 -0.124 0.000 2.301 432 Q HA 0.429 4.769 4.340 0.000 0.000 0.267 432 Q C -0.818 175.083 176.000 -0.166 0.000 1.035 432 Q CA -0.798 54.820 55.803 -0.308 0.000 0.856 432 Q CB 1.011 29.405 28.738 -0.573 0.000 1.337 432 Q HN 0.532 nan 8.270 nan 0.000 0.450 433 Y N -0.745 119.558 120.300 0.005 0.000 4.668 433 Y HA -0.244 4.306 4.550 0.000 0.000 0.234 433 Y C -0.419 175.480 175.900 -0.002 0.000 1.056 433 Y CA 0.995 59.094 58.100 -0.001 0.000 2.025 433 Y CB -2.222 36.234 38.460 -0.006 0.000 1.613 433 Y HN 0.415 nan 8.280 nan 0.000 0.653 434 S N -0.579 115.179 115.700 0.097 0.000 2.407 434 S HA 0.363 4.833 4.470 0.000 0.000 0.166 434 S C -2.588 172.029 174.600 0.029 0.000 1.445 434 S CA -1.008 57.227 58.200 0.059 0.000 1.260 434 S CB 1.338 64.565 63.200 0.045 0.000 1.401 434 S HN 0.017 nan 8.310 nan 0.000 0.379 435 P HA 0.157 nan 4.420 nan 0.000 0.264 435 P C -0.478 176.823 177.300 0.003 0.000 1.193 435 P CA 0.102 63.216 63.100 0.023 0.000 0.763 435 P CB 0.338 32.064 31.700 0.042 0.000 0.810 436 M N 2.131 121.729 119.600 -0.003 0.000 2.277 436 M HA 0.454 4.934 4.480 0.000 0.000 0.350 436 M C 0.830 177.112 176.300 -0.030 0.000 1.180 436 M CA -0.656 54.631 55.300 -0.022 0.000 1.103 436 M CB 1.248 33.837 32.600 -0.018 0.000 1.577 436 M HN 0.337 nan 8.290 nan 0.000 0.459 437 A N 1.869 124.651 122.820 -0.062 0.000 2.448 437 A HA 0.143 4.463 4.320 0.000 0.000 0.239 437 A C 0.985 178.544 177.584 -0.042 0.000 1.080 437 A CA -0.325 51.662 52.037 -0.082 0.000 0.779 437 A CB 0.086 19.015 19.000 -0.118 0.000 1.026 437 A HN 0.978 nan 8.150 nan 0.000 0.499 438 I N 0.314 120.871 120.570 -0.021 0.000 2.252 438 I HA -0.182 3.988 4.170 0.000 0.000 0.245 438 I C 2.531 178.638 176.117 -0.018 0.000 1.102 438 I CA 2.256 63.558 61.300 0.003 0.000 1.385 438 I CB -0.376 37.643 38.000 0.032 0.000 1.064 438 I HN 0.853 nan 8.210 nan 0.000 0.414 439 E N 0.897 121.074 120.200 -0.040 0.000 2.085 439 E HA -0.302 4.048 4.350 0.000 0.000 0.194 439 E C 1.750 178.309 176.600 -0.069 0.000 0.994 439 E CA 2.008 58.374 56.400 -0.056 0.000 0.801 439 E CB -0.946 28.711 29.700 -0.072 0.000 0.743 439 E HN 0.677 nan 8.360 nan 0.000 0.453 440 E N 0.945 121.098 120.200 -0.078 0.000 2.110 440 E HA -0.172 4.178 4.350 0.000 0.000 0.193 440 E C 2.390 178.962 176.600 -0.047 0.000 0.988 440 E CA 1.135 57.480 56.400 -0.093 0.000 0.804 440 E CB -0.172 29.468 29.700 -0.100 0.000 0.745 440 E HN 0.424 nan 8.360 nan 0.000 0.458 441 Q N 0.563 120.352 119.800 -0.018 0.000 2.030 441 Q HA -0.167 4.173 4.340 0.000 0.000 0.204 441 Q C 2.705 178.729 176.000 0.040 0.000 0.986 441 Q CA 2.091 57.903 55.803 0.015 0.000 0.843 441 Q CB -0.434 28.315 28.738 0.018 0.000 0.904 441 Q HN 0.368 nan 8.270 nan 0.000 0.420 442 V N -1.418 118.513 119.914 0.029 0.000 2.407 442 V HA -0.204 3.916 4.120 0.000 0.000 0.248 442 V C 2.228 178.380 176.094 0.098 0.000 1.055 442 V CA 1.647 63.982 62.300 0.059 0.000 1.049 442 V CB -1.376 30.467 31.823 0.033 0.000 0.662 442 V HN 0.296 nan 8.190 nan 0.000 0.455 443 A N 1.841 124.686 122.820 0.041 0.000 1.852 443 A HA -0.193 4.127 4.320 0.000 0.000 0.217 443 A C 2.579 180.347 177.584 0.305 0.000 1.215 443 A CA 3.707 55.792 52.037 0.079 0.000 0.641 443 A CB -1.405 17.537 19.000 -0.095 0.000 0.838 443 A HN 1.328 nan 8.150 nan 0.000 0.450 444 V N -1.235 118.827 119.914 0.247 0.000 2.287 444 V HA -0.249 3.872 4.120 0.000 0.000 0.248 444 V C 2.198 178.435 176.094 0.238 0.000 1.053 444 V CA 2.142 64.642 62.300 0.334 0.000 1.027 444 V CB -1.022 30.921 31.823 0.200 0.000 0.646 444 V HN 0.465 nan 8.190 nan 0.000 0.447 445 I N -0.212 120.461 120.570 0.171 0.000 2.226 445 I HA -0.200 3.970 4.170 0.000 0.000 0.245 445 I C 2.575 178.786 176.117 0.156 0.000 1.100 445 I CA 2.385 63.761 61.300 0.127 0.000 1.374 445 I CB -1.579 36.480 38.000 0.098 0.000 1.057 445 I HN 0.512 nan 8.210 nan 0.000 0.413 446 Y N 2.322 122.670 120.300 0.080 0.000 2.069 446 Y HA -0.346 4.204 4.550 0.000 0.000 0.278 446 Y C 2.700 178.665 175.900 0.109 0.000 1.175 446 Y CA 2.299 60.452 58.100 0.087 0.000 1.134 446 Y CB -0.485 38.028 38.460 0.090 0.000 0.965 446 Y HN 0.145 nan 8.280 nan 0.000 0.498 447 A N 0.240 123.191 122.820 0.217 0.000 1.896 447 A HA -0.287 4.033 4.320 0.000 0.000 0.220 447 A C 2.507 180.094 177.584 0.006 0.000 1.206 447 A CA 2.507 54.584 52.037 0.066 0.000 0.647 447 A CB -1.856 17.077 19.000 -0.113 0.000 0.828 447 A HN 0.666 nan 8.150 nan 0.000 0.455 448 G N -1.159 107.619 108.800 -0.036 0.000 2.404 448 G HA2 -0.048 3.912 3.960 0.000 0.000 0.215 448 G HA3 -0.048 3.912 3.960 0.000 0.000 0.215 448 G C 1.493 176.330 174.900 -0.106 0.000 1.174 448 G CA 1.190 46.237 45.100 -0.089 0.000 0.780 448 G HN 0.386 nan 8.290 nan 0.000 0.537 449 V N 0.880 120.741 119.914 -0.089 0.000 2.490 449 V HA -0.095 4.025 4.120 0.000 0.000 0.250 449 V C 2.902 178.894 176.094 -0.169 0.000 1.061 449 V CA 1.457 63.694 62.300 -0.105 0.000 1.064 449 V CB -0.381 31.404 31.823 -0.064 0.000 0.670 449 V HN 0.206 nan 8.190 nan 0.000 0.461 450 R N -0.145 120.207 120.500 -0.247 0.000 2.153 450 R HA 0.130 4.470 4.340 0.000 0.000 0.218 450 R C 1.854 177.919 176.300 -0.392 0.000 1.072 450 R CA 1.047 56.947 56.100 -0.332 0.000 0.990 450 R CB -0.249 29.795 30.300 -0.426 0.000 0.889 450 R HN 0.613 nan 8.270 nan 0.000 0.452 451 G N -0.610 107.986 108.800 -0.339 0.000 2.260 451 G HA2 -0.235 3.725 3.960 0.000 0.000 0.179 451 G HA3 -0.235 3.725 3.960 0.000 0.000 0.179 451 G C 0.383 175.065 174.900 -0.363 0.000 1.002 451 G CA -0.200 44.692 45.100 -0.347 0.000 0.677 451 G HN 0.290 nan 8.290 nan 0.000 0.486 452 Y N 0.836 121.007 120.300 -0.214 0.000 2.716 452 Y HA 0.279 4.829 4.550 0.000 0.000 0.302 452 Y C 2.317 178.009 175.900 -0.347 0.000 1.160 452 Y CA 1.075 59.040 58.100 -0.224 0.000 1.362 452 Y CB -0.047 38.297 38.460 -0.193 0.000 0.988 452 Y HN 0.350 nan 8.280 nan 0.000 0.546 453 L N -1.379 119.698 121.223 -0.242 0.000 2.920 453 L HA 0.089 4.429 4.340 0.000 0.000 0.257 453 L C 0.994 177.739 176.870 -0.208 0.000 1.150 453 L CA 0.009 54.654 54.840 -0.325 0.000 0.959 453 L CB 0.156 42.003 42.059 -0.354 0.000 1.321 453 L HN 0.033 nan 8.230 nan 0.000 0.555 454 D N 1.440 121.735 120.400 -0.174 0.000 2.158 454 D HA -0.245 4.395 4.640 0.000 0.000 0.197 454 D C 1.975 178.215 176.300 -0.100 0.000 0.995 454 D CA 1.463 55.383 54.000 -0.134 0.000 0.846 454 D CB 0.184 40.903 40.800 -0.135 0.000 0.941 454 D HN 0.268 nan 8.370 nan 0.000 0.456 455 K N -0.305 120.041 120.400 -0.091 0.000 2.243 455 K HA -0.035 4.285 4.320 0.000 0.000 0.201 455 K C 0.713 177.291 176.600 -0.036 0.000 1.051 455 K CA -0.194 56.061 56.287 -0.053 0.000 0.970 455 K CB 0.050 32.528 32.500 -0.036 0.000 0.755 455 K HN -0.055 nan 8.250 nan 0.000 0.465 456 L N 2.722 123.912 121.223 -0.055 0.000 2.461 456 L HA 0.048 4.388 4.340 0.000 0.000 0.272 456 L C -0.448 176.413 176.870 -0.015 0.000 1.197 456 L CA 0.635 55.464 54.840 -0.019 0.000 0.836 456 L CB 0.873 42.871 42.059 -0.102 0.000 1.105 456 L HN 0.152 nan 8.230 nan 0.000 0.477 457 E N 5.627 125.845 120.200 0.029 0.000 2.301 457 E HA 0.156 4.506 4.350 0.000 0.000 0.275 457 E C -1.652 174.961 176.600 0.023 0.000 1.030 457 E CA -1.531 54.880 56.400 0.019 0.000 0.852 457 E CB 0.880 30.598 29.700 0.029 0.000 1.060 457 E HN 0.478 nan 8.360 nan 0.000 0.401 458 P HA -0.330 nan 4.420 nan 0.000 0.219 458 P C 1.537 178.854 177.300 0.029 0.000 1.158 458 P CA 1.699 64.800 63.100 0.002 0.000 0.895 458 P CB 0.058 31.758 31.700 -0.001 0.000 0.792 459 S N -1.145 114.581 115.700 0.042 0.000 2.400 459 S HA -0.176 4.294 4.470 0.000 0.000 0.232 459 S C 1.625 176.284 174.600 0.097 0.000 1.025 459 S CA 1.267 59.502 58.200 0.059 0.000 0.993 459 S CB -0.716 62.514 63.200 0.051 0.000 0.808 459 S HN 0.043 nan 8.310 nan 0.000 0.478 460 K N 0.541 121.020 120.400 0.132 0.000 2.374 460 K HA 0.289 4.609 4.320 0.000 0.000 0.196 460 K C 1.612 178.352 176.600 0.234 0.000 1.023 460 K CA -0.102 56.333 56.287 0.247 0.000 1.103 460 K CB -0.080 32.628 32.500 0.347 0.000 0.848 460 K HN 0.421 nan 8.250 nan 0.000 0.528 461 I N 1.077 121.712 120.570 0.109 0.000 2.286 461 I HA -0.194 3.976 4.170 0.000 0.000 0.248 461 I C 1.841 178.023 176.117 0.109 0.000 1.115 461 I CA 1.434 62.764 61.300 0.049 0.000 1.392 461 I CB -1.203 36.788 38.000 -0.015 0.000 1.065 461 I HN 0.062 nan 8.210 nan 0.000 0.418 462 T N 0.717 115.336 114.554 0.108 0.000 2.737 462 T HA -0.177 4.173 4.350 0.000 0.000 0.265 462 T C 1.994 176.779 174.700 0.142 0.000 1.038 462 T CA 1.342 63.505 62.100 0.106 0.000 1.144 462 T CB -0.072 68.842 68.868 0.077 0.000 0.866 462 T HN 0.277 nan 8.240 nan 0.000 0.434 463 K N 0.163 120.677 120.400 0.190 0.000 2.032 463 K HA -0.153 4.167 4.320 0.000 0.000 0.209 463 K C 2.086 178.821 176.600 0.225 0.000 1.048 463 K CA 1.476 57.912 56.287 0.248 0.000 0.927 463 K CB -0.371 32.346 32.500 0.361 0.000 0.712 463 K HN 0.301 nan 8.250 nan 0.000 0.441 464 F N 2.211 122.120 119.950 -0.068 0.000 2.095 464 F HA -0.211 4.316 4.527 0.000 0.000 0.298 464 F C 2.305 178.028 175.800 -0.128 0.000 1.104 464 F CA 2.030 59.739 58.000 -0.485 0.000 1.232 464 F CB -0.358 38.237 39.000 -0.675 0.000 0.987 464 F HN 0.208 nan 8.300 nan 0.000 0.475 465 E N 0.288 120.635 120.200 0.245 0.000 2.033 465 E HA -0.329 4.021 4.350 0.000 0.000 0.199 465 E C 1.901 178.543 176.600 0.070 0.000 1.011 465 E CA 2.140 58.670 56.400 0.217 0.000 0.815 465 E CB -0.411 29.391 29.700 0.169 0.000 0.755 465 E HN 0.586 nan 8.360 nan 0.000 0.451 466 N N 0.100 118.831 118.700 0.051 0.000 2.149 466 N HA -0.172 4.568 4.740 0.000 0.000 0.188 466 N C 1.695 177.200 175.510 -0.007 0.000 1.019 466 N CA 1.357 54.420 53.050 0.021 0.000 0.857 466 N CB -0.188 38.329 38.487 0.049 0.000 0.997 466 N HN 0.211 nan 8.380 nan 0.000 0.426 467 A N 0.499 123.323 122.820 0.007 0.000 1.873 467 A HA -0.095 4.225 4.320 0.000 0.000 0.215 467 A C 1.959 179.486 177.584 -0.095 0.000 1.186 467 A CA 0.924 52.996 52.037 0.058 0.000 0.616 467 A CB -0.848 18.278 19.000 0.211 0.000 0.823 467 A HN 0.400 nan 8.150 nan 0.000 0.442 468 F N -0.007 119.560 119.950 -0.639 0.000 2.325 468 F HA -0.025 4.502 4.527 0.000 0.000 0.299 468 F C 1.645 177.143 175.800 -0.503 0.000 1.090 468 F CA 1.116 58.440 58.000 -1.126 0.000 1.392 468 F CB -0.238 37.933 39.000 -1.382 0.000 1.053 468 F HN 0.170 nan 8.300 nan 0.000 0.521 469 L N 0.476 121.411 121.223 -0.480 0.000 2.005 469 L HA -0.110 4.230 4.340 0.000 0.000 0.207 469 L C 2.885 179.563 176.870 -0.320 0.000 1.072 469 L CA 2.253 56.827 54.840 -0.443 0.000 0.744 469 L CB -1.299 40.634 42.059 -0.210 0.000 0.895 469 L HN 0.330 nan 8.230 nan 0.000 0.433 470 S N -1.646 113.949 115.700 -0.175 0.000 2.400 470 S HA -0.294 4.176 4.470 0.000 0.000 0.232 470 S C 2.149 176.705 174.600 -0.072 0.000 1.025 470 S CA 1.334 59.477 58.200 -0.094 0.000 0.993 470 S CB -0.944 62.241 63.200 -0.025 0.000 0.808 470 S HN 0.716 nan 8.310 nan 0.000 0.478 471 H N 1.921 120.875 119.070 -0.194 0.000 2.269 471 H HA -0.119 4.437 4.556 0.000 0.000 0.299 471 H C 2.424 177.671 175.328 -0.136 0.000 1.058 471 H CA 2.736 58.714 56.048 -0.116 0.000 1.246 471 H CB -0.559 29.135 29.762 -0.113 0.000 1.376 471 H HN 0.402 nan 8.280 nan 0.000 0.503 472 V N 0.142 119.761 119.914 -0.492 0.000 2.277 472 V HA -0.297 3.823 4.120 0.000 0.000 0.253 472 V C 2.748 178.679 176.094 -0.271 0.000 1.067 472 V CA 2.191 64.222 62.300 -0.448 0.000 1.047 472 V CB -1.249 30.209 31.823 -0.607 0.000 0.649 472 V HN 0.416 nan 8.190 nan 0.000 0.447 473 I N 1.254 121.668 120.570 -0.261 0.000 2.068 473 I HA -0.310 3.860 4.170 0.000 0.000 0.238 473 I C 3.028 179.060 176.117 -0.142 0.000 1.046 473 I CA 2.630 63.823 61.300 -0.178 0.000 1.306 473 I CB -0.661 37.246 38.000 -0.154 0.000 1.023 473 I HN 0.590 nan 8.210 nan 0.000 0.399 474 S N 0.386 116.008 115.700 -0.130 0.000 2.343 474 S HA -0.217 4.253 4.470 0.000 0.000 0.219 474 S C 1.843 176.359 174.600 -0.141 0.000 1.033 474 S CA 1.215 59.351 58.200 -0.106 0.000 1.014 474 S CB -0.227 62.935 63.200 -0.062 0.000 0.915 474 S HN 0.398 nan 8.310 nan 0.000 0.435 475 Q N -0.138 119.545 119.800 -0.194 0.000 2.403 475 Q HA 0.149 4.489 4.340 0.000 0.000 0.203 475 Q C -0.129 175.546 176.000 -0.541 0.000 0.932 475 Q CA 0.496 56.117 55.803 -0.303 0.000 0.945 475 Q CB 0.057 28.629 28.738 -0.276 0.000 1.045 475 Q HN 0.815 nan 8.270 nan 0.000 0.511 476 H N -0.772 118.160 119.070 -0.230 0.000 3.074 476 H HA 0.162 4.718 4.556 0.000 0.000 0.227 476 H C 0.884 176.115 175.328 -0.163 0.000 1.365 476 H CA -0.134 55.798 56.048 -0.194 0.000 1.078 476 H CB 0.663 30.283 29.762 -0.236 0.000 2.347 476 H HN -0.044 nan 8.280 nan 0.000 0.567 477 Q N 0.602 120.353 119.800 -0.082 0.000 2.077 477 Q HA -0.201 4.139 4.340 0.000 0.000 0.206 477 Q C 2.357 178.323 176.000 -0.057 0.000 0.989 477 Q CA 1.565 57.322 55.803 -0.076 0.000 0.853 477 Q CB -0.216 28.474 28.738 -0.081 0.000 0.907 477 Q HN 0.611 nan 8.270 nan 0.000 0.418 478 A N 1.928 124.719 122.820 -0.048 0.000 1.852 478 A HA -0.231 4.089 4.320 0.000 0.000 0.217 478 A C 2.104 179.670 177.584 -0.029 0.000 1.215 478 A CA 1.753 53.769 52.037 -0.034 0.000 0.641 478 A CB -1.169 17.816 19.000 -0.026 0.000 0.838 478 A HN 0.418 nan 8.150 nan 0.000 0.450 479 L N -0.268 120.949 121.223 -0.010 0.000 2.034 479 L HA -0.230 4.110 4.340 0.000 0.000 0.217 479 L C 2.499 179.329 176.870 -0.067 0.000 1.077 479 L CA 2.322 57.140 54.840 -0.037 0.000 0.769 479 L CB -0.792 41.240 42.059 -0.044 0.000 0.890 479 L HN 0.515 nan 8.230 nan 0.000 0.435 480 L N -0.479 120.699 121.223 -0.075 0.000 1.989 480 L HA -0.179 4.161 4.340 0.000 0.000 0.211 480 L C 2.697 179.524 176.870 -0.071 0.000 1.071 480 L CA 1.664 56.450 54.840 -0.089 0.000 0.749 480 L CB -1.464 40.534 42.059 -0.102 0.000 0.890 480 L HN 0.395 nan 8.230 nan 0.000 0.431 481 G N -0.023 108.740 108.800 -0.061 0.000 2.450 481 G HA2 -0.257 3.703 3.960 0.000 0.000 0.220 481 G HA3 -0.257 3.703 3.960 0.000 0.000 0.220 481 G C 1.697 176.572 174.900 -0.042 0.000 1.130 481 G CA 0.684 45.753 45.100 -0.051 0.000 0.760 481 G HN 0.359 nan 8.290 nan 0.000 0.557 482 K N -0.004 120.371 120.400 -0.042 0.000 2.001 482 K HA 0.074 4.394 4.320 0.000 0.000 0.208 482 K C 2.420 178.999 176.600 -0.035 0.000 1.048 482 K CA 1.049 57.315 56.287 -0.034 0.000 0.932 482 K CB -0.260 32.220 32.500 -0.034 0.000 0.715 482 K HN 0.298 nan 8.250 nan 0.000 0.437 483 I N 0.869 121.411 120.570 -0.047 0.000 2.208 483 I HA -0.290 3.880 4.170 0.000 0.000 0.245 483 I C 2.731 178.827 176.117 -0.034 0.000 1.097 483 I CA 1.186 62.459 61.300 -0.046 0.000 1.363 483 I CB -0.352 37.609 38.000 -0.066 0.000 1.051 483 I HN 0.209 nan 8.210 nan 0.000 0.413 484 R N 0.667 121.144 120.500 -0.039 0.000 2.070 484 R HA -0.162 4.178 4.340 0.000 0.000 0.233 484 R C 2.341 178.630 176.300 -0.017 0.000 1.137 484 R CA 2.252 58.334 56.100 -0.030 0.000 0.945 484 R CB -0.253 30.021 30.300 -0.043 0.000 0.845 484 R HN 0.254 nan 8.270 nan 0.000 0.430 485 T N 0.726 115.268 114.554 -0.020 0.000 2.857 485 T HA -0.072 4.278 4.350 0.000 0.000 0.266 485 T C 0.824 175.520 174.700 -0.007 0.000 1.048 485 T CA 1.460 63.553 62.100 -0.012 0.000 1.139 485 T CB -0.153 68.706 68.868 -0.014 0.000 0.874 485 T HN 0.327 nan 8.240 nan 0.000 0.455 486 D N 0.421 120.814 120.400 -0.011 0.000 2.355 486 D HA 0.170 4.811 4.640 0.000 0.000 0.218 486 D C 1.786 178.083 176.300 -0.004 0.000 1.004 486 D CA 0.626 54.622 54.000 -0.007 0.000 0.880 486 D CB -0.627 40.167 40.800 -0.010 0.000 0.911 486 D HN 0.438 nan 8.370 nan 0.000 0.528 487 G N 1.075 109.872 108.800 -0.005 0.000 2.219 487 G HA2 -0.371 3.589 3.960 0.000 0.000 0.271 487 G HA3 -0.371 3.589 3.960 0.000 0.000 0.271 487 G C 0.491 175.391 174.900 -0.000 0.000 0.991 487 G CA 1.296 46.396 45.100 0.000 0.000 0.685 487 G HN 0.501 nan 8.290 nan 0.000 0.531 488 K N -0.700 119.697 120.400 -0.005 0.000 2.443 488 K HA 0.710 5.030 4.320 0.000 0.000 0.251 488 K C -0.307 176.286 176.600 -0.011 0.000 0.972 488 K CA -1.311 54.975 56.287 -0.002 0.000 0.833 488 K CB 1.123 33.625 32.500 0.002 0.000 1.317 488 K HN 0.006 nan 8.250 nan 0.000 0.441 489 I N 3.867 124.433 120.570 -0.007 0.000 2.268 489 I HA 0.085 4.255 4.170 0.000 0.000 0.290 489 I C 0.089 176.201 176.117 -0.008 0.000 1.125 489 I CA -0.512 60.774 61.300 -0.024 0.000 1.236 489 I CB 0.774 38.757 38.000 -0.028 0.000 1.469 489 I HN 0.611 nan 8.210 nan 0.000 0.512 490 S N 2.998 118.691 115.700 -0.012 0.000 2.573 490 S HA 0.097 4.567 4.470 0.000 0.000 0.277 490 S C 1.094 175.696 174.600 0.002 0.000 1.346 490 S CA -0.437 57.762 58.200 -0.002 0.000 1.034 490 S CB 1.184 64.381 63.200 -0.005 0.000 0.879 490 S HN 0.612 nan 8.310 nan 0.000 0.528 491 E N 0.680 120.888 120.200 0.013 0.000 2.114 491 E HA -0.254 4.096 4.350 0.000 0.000 0.199 491 E C 1.964 178.573 176.600 0.015 0.000 1.008 491 E CA 1.562 57.974 56.400 0.021 0.000 0.810 491 E CB -0.110 29.603 29.700 0.022 0.000 0.739 491 E HN 0.813 nan 8.360 nan 0.000 0.456 492 E N 0.605 120.809 120.200 0.007 0.000 2.031 492 E HA -0.173 4.177 4.350 0.000 0.000 0.193 492 E C 2.194 178.790 176.600 -0.007 0.000 0.994 492 E CA 1.225 57.627 56.400 0.003 0.000 0.800 492 E CB -0.070 29.630 29.700 0.000 0.000 0.752 492 E HN 0.043 nan 8.360 nan 0.000 0.447 493 S N 0.926 116.613 115.700 -0.022 0.000 2.370 493 S HA -0.188 4.282 4.470 0.000 0.000 0.226 493 S C 1.577 176.134 174.600 -0.072 0.000 1.033 493 S CA 1.451 59.621 58.200 -0.050 0.000 1.011 493 S CB -0.448 62.714 63.200 -0.063 0.000 0.852 493 S HN 0.351 nan 8.310 nan 0.000 0.457 494 D N 1.455 121.828 120.400 -0.045 0.000 2.103 494 D HA -0.119 4.521 4.640 0.000 0.000 0.190 494 D C 2.052 178.360 176.300 0.015 0.000 0.997 494 D CA 1.684 55.669 54.000 -0.026 0.000 0.833 494 D CB -0.501 40.332 40.800 0.056 0.000 0.961 494 D HN 0.299 nan 8.370 nan 0.000 0.447 495 A N 0.454 123.296 122.820 0.036 0.000 1.917 495 A HA -0.250 4.070 4.320 0.000 0.000 0.219 495 A C 2.168 179.773 177.584 0.034 0.000 1.182 495 A CA 2.215 54.284 52.037 0.054 0.000 0.633 495 A CB -0.707 18.320 19.000 0.045 0.000 0.819 495 A HN 0.328 nan 8.150 nan 0.000 0.448 496 K N -0.889 119.511 120.400 -0.001 0.000 1.985 496 K HA -0.156 4.164 4.320 0.000 0.000 0.210 496 K C 1.939 178.501 176.600 -0.063 0.000 1.047 496 K CA 1.597 57.874 56.287 -0.017 0.000 0.932 496 K CB -0.380 32.108 32.500 -0.021 0.000 0.716 496 K HN 0.296 nan 8.250 nan 0.000 0.439 497 L N 2.246 123.394 121.223 -0.125 0.000 2.051 497 L HA -0.257 4.083 4.340 0.000 0.000 0.214 497 L C 2.327 179.142 176.870 -0.092 0.000 1.076 497 L CA 1.981 56.695 54.840 -0.211 0.000 0.758 497 L CB -0.628 41.157 42.059 -0.456 0.000 0.890 497 L HN 0.240 nan 8.230 nan 0.000 0.433 498 K N -0.418 120.009 120.400 0.045 0.000 1.987 498 K HA -0.296 4.024 4.320 0.000 0.000 0.216 498 K C 2.114 178.736 176.600 0.038 0.000 1.051 498 K CA 2.098 58.480 56.287 0.159 0.000 0.942 498 K CB -0.491 32.156 32.500 0.245 0.000 0.722 498 K HN 0.524 nan 8.250 nan 0.000 0.444 499 E N 0.564 120.797 120.200 0.055 0.000 2.055 499 E HA -0.273 4.077 4.350 0.000 0.000 0.209 499 E C 2.067 178.688 176.600 0.035 0.000 1.036 499 E CA 2.351 58.785 56.400 0.057 0.000 0.849 499 E CB -0.307 29.427 29.700 0.057 0.000 0.767 499 E HN 0.456 nan 8.360 nan 0.000 0.461 500 I N 0.877 121.426 120.570 -0.035 0.000 2.143 500 I HA -0.350 3.820 4.170 0.000 0.000 0.245 500 I C 2.701 178.876 176.117 0.097 0.000 1.068 500 I CA 1.906 63.162 61.300 -0.074 0.000 1.326 500 I CB -0.582 37.190 38.000 -0.381 0.000 1.028 500 I HN 0.264 nan 8.210 nan 0.000 0.412 501 V N -2.632 117.274 119.914 -0.013 0.000 2.488 501 V HA -0.143 3.977 4.120 0.000 0.000 0.246 501 V C 2.286 178.351 176.094 -0.048 0.000 1.046 501 V CA 1.934 64.168 62.300 -0.111 0.000 1.053 501 V CB -1.235 30.264 31.823 -0.540 0.000 0.679 501 V HN 0.382 nan 8.190 nan 0.000 0.458 502 T N 1.812 116.324 114.554 -0.069 0.000 2.652 502 T HA -0.224 4.126 4.350 0.000 0.000 0.267 502 T C 1.685 176.484 174.700 0.164 0.000 1.039 502 T CA 2.584 64.766 62.100 0.138 0.000 1.153 502 T CB -0.803 68.180 68.868 0.192 0.000 0.863 502 T HN 0.677 nan 8.240 nan 0.000 0.428 503 N N 0.098 118.890 118.700 0.153 0.000 2.571 503 N HA 0.095 4.835 4.740 0.000 0.000 0.189 503 N C 1.220 176.819 175.510 0.149 0.000 1.154 503 N CA 0.147 53.282 53.050 0.142 0.000 0.907 503 N CB -0.139 38.434 38.487 0.144 0.000 0.977 503 N HN 0.315 nan 8.380 nan 0.000 0.449 504 F N 0.863 120.849 119.950 0.059 0.000 2.317 504 F HA 0.091 4.618 4.527 -0.000 0.000 0.293 504 F C 1.819 177.665 175.800 0.076 0.000 1.085 504 F CA 0.419 58.418 58.000 -0.001 0.000 1.390 504 F CB 0.019 39.016 39.000 -0.004 0.000 1.077 504 F HN -0.071 nan 8.300 nan 0.000 0.517 505 L N 0.729 122.100 121.223 0.247 0.000 1.990 505 L HA -0.270 4.070 4.340 0.000 0.000 0.213 505 L C 2.757 179.703 176.870 0.126 0.000 1.072 505 L CA 2.212 57.222 54.840 0.283 0.000 0.755 505 L CB -1.942 40.279 42.059 0.270 0.000 0.889 505 L HN 0.314 nan 8.230 nan 0.000 0.432 506 A N -0.474 122.383 122.820 0.062 0.000 1.948 506 A HA -0.170 4.150 4.320 0.000 0.000 0.220 506 A C 2.285 179.842 177.584 -0.045 0.000 1.177 506 A CA 1.902 53.951 52.037 0.019 0.000 0.636 506 A CB -1.036 17.976 19.000 0.021 0.000 0.815 506 A HN 0.505 nan 8.150 nan 0.000 0.449 507 G N -2.111 106.606 108.800 -0.137 0.000 2.683 507 G HA2 0.183 4.143 3.960 0.000 0.000 0.213 507 G HA3 0.183 4.143 3.960 0.000 0.000 0.213 507 G C 0.385 175.133 174.900 -0.253 0.000 1.142 507 G CA 0.019 44.990 45.100 -0.215 0.000 0.793 507 G HN 0.382 nan 8.290 nan 0.000 0.534 508 F N 2.371 122.065 119.950 -0.427 0.000 2.533 508 F HA 0.405 4.932 4.527 -0.000 0.000 0.378 508 F C 0.354 176.089 175.800 -0.109 0.000 1.070 508 F CA -1.734 56.078 58.000 -0.314 0.000 1.172 508 F CB 0.604 39.535 39.000 -0.115 0.000 1.085 508 F HN -0.035 nan 8.300 nan 0.000 0.552 509 E N 5.577 125.406 120.200 -0.619 0.000 2.257 509 E HA 0.438 4.788 4.350 0.000 0.000 0.278 509 E C 0.115 176.178 176.600 -0.894 0.000 1.049 509 E CA -0.130 55.934 56.400 -0.559 0.000 0.876 509 E CB 0.734 30.249 29.700 -0.308 0.000 1.035 509 E HN 0.805 nan 8.360 nan 0.000 0.419 510 A N 0.000 122.480 122.820 -0.567 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.800 52.037 -0.394 0.000 0.836 510 A CB 0.000 18.897 19.000 -0.171 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486