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 1kyw_1_A DATA FIRST_RESID 13 DATA SEQUENCE HISDEEANLF AMQLASASVL PMILKSALEL DLLEIIAKAG PGAQISPIEI DATA SEQUENCE ASQLPTTNPD APVMLDRMLR LLACYIILTC SVRTQQDGKV QRLYGLATVA DATA SEQUENCE KYLVKNEDGV SISALNLMNQ DKVLMESWYH LKDAVLDGGI PFNKAYGMTA DATA SEQUENCE FEYHGTDPRF NKVFNKGMSD HSTITMKKIL ETYTGFEGLK SLVDVGGGTG DATA SEQUENCE AVINTIVSKY PTIKGINFDL PHVIEDAPSY PGVEHVGGDM FVSIPKADAV DATA SEQUENCE FMKWICHDWS DEHCLKFLKN CYEALPDNGK VIVAECILPV APDSSLATKG DATA SEQUENCE VVHIDVIMLA HNPGGKERTQ KEFEDLAKGA GFQGFKVHCN AFNTYIMEFL 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 13 H HA 0.000 nan 4.556 nan 0.000 0.296 13 H C 0.000 175.316 175.328 -0.020 0.000 0.993 13 H CA 0.000 56.039 56.048 -0.015 0.000 1.023 13 H CB 0.000 29.756 29.762 -0.011 0.000 1.292 14 I N 3.725 123.899 120.570 -0.660 0.000 2.404 14 I HA 0.388 4.572 4.170 0.023 0.000 0.293 14 I C 0.067 175.811 176.117 -0.622 0.000 0.992 14 I CA -0.142 60.880 61.300 -0.464 0.000 1.149 14 I CB 1.771 39.621 38.000 -0.251 0.000 1.315 14 I HN 0.692 nan 8.210 nan 0.000 0.446 15 S N 2.985 118.520 115.700 -0.276 0.000 2.646 15 S HA 0.337 4.821 4.470 0.023 0.000 0.276 15 S C 0.603 175.164 174.600 -0.064 0.000 1.222 15 S CA -0.622 57.514 58.200 -0.106 0.000 1.014 15 S CB 1.235 64.441 63.200 0.009 0.000 0.991 15 S HN 0.558 nan 8.310 nan 0.000 0.533 16 D N 1.067 121.458 120.400 -0.015 0.000 2.116 16 D HA -0.155 4.499 4.640 0.023 0.000 0.193 16 D C 1.740 178.044 176.300 0.006 0.000 0.998 16 D CA 1.868 55.867 54.000 -0.002 0.000 0.836 16 D CB -0.318 40.490 40.800 0.014 0.000 0.951 16 D HN 0.874 nan 8.370 nan 0.000 0.449 17 E N 0.295 120.501 120.200 0.010 0.000 2.070 17 E HA -0.253 4.111 4.350 0.023 0.000 0.197 17 E C 1.964 178.576 176.600 0.020 0.000 1.004 17 E CA 1.242 57.651 56.400 0.015 0.000 0.805 17 E CB 0.014 29.723 29.700 0.015 0.000 0.744 17 E HN 0.336 nan 8.360 nan 0.000 0.451 18 E N -0.329 119.875 120.200 0.007 0.000 2.072 18 E HA -0.196 4.168 4.350 0.023 0.000 0.191 18 E C 1.944 178.577 176.600 0.056 0.000 0.985 18 E CA 0.920 57.327 56.400 0.012 0.000 0.801 18 E CB -0.133 29.547 29.700 -0.033 0.000 0.750 18 E HN 0.317 nan 8.360 nan 0.000 0.452 19 A N 0.978 123.820 122.820 0.036 0.000 1.933 19 A HA -0.239 4.095 4.320 0.023 0.000 0.218 19 A C 1.910 179.556 177.584 0.103 0.000 1.175 19 A CA 1.833 53.921 52.037 0.085 0.000 0.628 19 A CB -0.788 18.232 19.000 0.033 0.000 0.814 19 A HN 0.369 nan 8.150 nan 0.000 0.444 20 N N -0.280 118.455 118.700 0.060 0.000 2.109 20 N HA -0.035 4.719 4.740 0.023 0.000 0.188 20 N C 1.629 177.170 175.510 0.053 0.000 1.034 20 N CA 1.289 54.364 53.050 0.043 0.000 0.846 20 N CB -0.266 38.236 38.487 0.025 0.000 1.010 20 N HN 0.420 nan 8.380 nan 0.000 0.425 21 L N -0.497 120.766 121.223 0.067 0.000 2.079 21 L HA -0.162 4.192 4.340 0.023 0.000 0.210 21 L C 2.044 178.987 176.870 0.122 0.000 1.081 21 L CA 1.113 55.996 54.840 0.072 0.000 0.752 21 L CB -0.534 41.563 42.059 0.063 0.000 0.896 21 L HN 0.308 nan 8.230 nan 0.000 0.433 22 F N 0.511 120.454 119.950 -0.011 0.000 2.186 22 F HA -0.191 4.347 4.527 0.019 0.000 0.299 22 F C 2.477 178.274 175.800 -0.005 0.000 1.090 22 F CA 1.085 59.081 58.000 -0.007 0.000 1.307 22 F CB 0.047 39.039 39.000 -0.013 0.000 1.019 22 F HN 0.006 nan 8.300 nan 0.000 0.489 23 A N 0.478 123.261 122.820 -0.061 0.000 1.933 23 A HA -0.188 4.146 4.320 0.023 0.000 0.218 23 A C 2.113 179.611 177.584 -0.144 0.000 1.175 23 A CA 1.611 53.549 52.037 -0.165 0.000 0.628 23 A CB -0.603 18.363 19.000 -0.057 0.000 0.814 23 A HN 0.404 nan 8.150 nan 0.000 0.444 24 M N -0.667 118.894 119.600 -0.065 0.000 2.229 24 M HA -0.144 4.350 4.480 0.023 0.000 0.264 24 M C 2.264 178.533 176.300 -0.050 0.000 1.063 24 M CA 1.732 57.006 55.300 -0.044 0.000 1.114 24 M CB -1.269 31.327 32.600 -0.007 0.000 1.387 24 M HN 0.725 nan 8.290 nan 0.000 0.420 25 Q N 0.417 120.186 119.800 -0.052 0.000 2.119 25 Q HA -0.102 4.252 4.340 0.023 0.000 0.201 25 Q C 1.987 177.929 176.000 -0.097 0.000 0.972 25 Q CA 1.011 56.802 55.803 -0.020 0.000 0.847 25 Q CB 0.066 28.839 28.738 0.058 0.000 0.903 25 Q HN 0.485 nan 8.270 nan 0.000 0.433 26 L N 0.095 121.176 121.223 -0.235 0.000 2.156 26 L HA -0.051 4.303 4.340 0.023 0.000 0.208 26 L C 2.521 179.292 176.870 -0.165 0.000 1.095 26 L CA 0.702 55.387 54.840 -0.259 0.000 0.770 26 L CB -0.514 41.294 42.059 -0.418 0.000 0.914 26 L HN 0.251 nan 8.230 nan 0.000 0.439 27 A N -0.082 122.660 122.820 -0.131 0.000 1.972 27 A HA -0.146 4.188 4.320 0.023 0.000 0.219 27 A C 1.919 179.462 177.584 -0.070 0.000 1.169 27 A CA 1.815 53.797 52.037 -0.091 0.000 0.635 27 A CB -0.328 18.631 19.000 -0.068 0.000 0.810 27 A HN 0.482 nan 8.150 nan 0.000 0.446 28 S N -2.145 113.520 115.700 -0.059 0.000 2.751 28 S HA 0.597 5.081 4.470 0.023 0.000 0.247 28 S C 0.929 175.501 174.600 -0.047 0.000 1.103 28 S CA 0.344 58.518 58.200 -0.043 0.000 1.090 28 S CB 0.326 63.514 63.200 -0.020 0.000 0.928 28 S HN 0.718 nan 8.310 nan 0.000 0.502 29 A N 2.197 124.973 122.820 -0.072 0.000 2.121 29 A HA 0.016 4.350 4.320 0.023 0.000 0.218 29 A C 2.265 179.785 177.584 -0.107 0.000 1.154 29 A CA 1.378 53.367 52.037 -0.080 0.000 0.679 29 A CB -0.937 18.002 19.000 -0.101 0.000 0.795 29 A HN 0.967 nan 8.150 nan 0.000 0.458 30 S N -0.530 115.108 115.700 -0.103 0.000 2.474 30 S HA -0.078 4.406 4.470 0.023 0.000 0.235 30 S C 1.600 176.147 174.600 -0.088 0.000 0.997 30 S CA 1.053 59.191 58.200 -0.103 0.000 0.949 30 S CB -0.678 62.473 63.200 -0.083 0.000 0.766 30 S HN 0.219 nan 8.310 nan 0.000 0.517 31 V N 1.588 121.454 119.914 -0.080 0.000 2.332 31 V HA -0.149 3.985 4.120 0.023 0.000 0.248 31 V C 2.420 178.440 176.094 -0.123 0.000 1.055 31 V CA 1.923 64.179 62.300 -0.073 0.000 1.038 31 V CB -0.783 31.016 31.823 -0.040 0.000 0.651 31 V HN 0.530 nan 8.190 nan 0.000 0.450 32 L N 1.553 122.647 121.223 -0.215 0.000 1.976 32 L HA -0.035 4.319 4.340 0.023 0.000 0.209 32 L C 0.202 176.948 176.870 -0.207 0.000 1.071 32 L CA 2.462 57.095 54.840 -0.345 0.000 0.746 32 L CB -1.777 39.903 42.059 -0.631 0.000 0.890 32 L HN 0.256 nan 8.230 nan 0.000 0.432 33 P HA -0.181 nan 4.420 nan 0.000 0.216 33 P C 1.754 179.017 177.300 -0.062 0.000 1.153 33 P CA 1.706 64.749 63.100 -0.095 0.000 0.848 33 P CB -0.207 31.444 31.700 -0.082 0.000 0.787 34 M N -0.986 118.580 119.600 -0.057 0.000 2.132 34 M HA -0.059 4.435 4.480 0.023 0.000 0.263 34 M C 2.314 178.596 176.300 -0.030 0.000 1.065 34 M CA 1.052 56.335 55.300 -0.028 0.000 1.122 34 M CB -1.609 30.980 32.600 -0.019 0.000 1.365 34 M HN -0.078 nan 8.290 nan 0.000 0.411 35 I N 0.047 120.588 120.570 -0.049 0.000 2.315 35 I HA -0.225 3.959 4.170 0.023 0.000 0.248 35 I C 2.421 178.511 176.117 -0.045 0.000 1.117 35 I CA 1.023 62.296 61.300 -0.045 0.000 1.404 35 I CB -1.111 36.857 38.000 -0.053 0.000 1.071 35 I HN 0.249 nan 8.210 nan 0.000 0.419 36 L N 1.232 122.422 121.223 -0.056 0.000 2.056 36 L HA -0.181 4.173 4.340 0.023 0.000 0.207 36 L C 2.511 179.367 176.870 -0.024 0.000 1.078 36 L CA 1.880 56.694 54.840 -0.043 0.000 0.749 36 L CB -0.819 41.211 42.059 -0.049 0.000 0.901 36 L HN 0.105 nan 8.230 nan 0.000 0.433 37 K N -0.939 119.451 120.400 -0.018 0.000 2.032 37 K HA -0.159 4.175 4.320 0.023 0.000 0.209 37 K C 2.014 178.614 176.600 -0.000 0.000 1.048 37 K CA 1.766 58.052 56.287 -0.001 0.000 0.927 37 K CB -0.127 32.380 32.500 0.011 0.000 0.712 37 K HN 0.404 nan 8.250 nan 0.000 0.441 38 S N 0.548 116.244 115.700 -0.006 0.000 2.399 38 S HA -0.122 4.362 4.470 0.023 0.000 0.231 38 S C 1.962 176.555 174.600 -0.012 0.000 1.022 38 S CA 1.093 59.290 58.200 -0.005 0.000 0.983 38 S CB -0.168 63.027 63.200 -0.009 0.000 0.803 38 S HN 0.507 nan 8.310 nan 0.000 0.480 39 A N 1.561 124.368 122.820 -0.020 0.000 1.873 39 A HA 0.046 4.380 4.320 0.023 0.000 0.215 39 A C 2.095 179.670 177.584 -0.015 0.000 1.186 39 A CA 1.013 53.034 52.037 -0.026 0.000 0.616 39 A CB -0.695 18.284 19.000 -0.037 0.000 0.823 39 A HN 0.441 nan 8.150 nan 0.000 0.442 40 L N -0.527 120.690 121.223 -0.010 0.000 2.083 40 L HA -0.211 4.143 4.340 0.023 0.000 0.209 40 L C 2.540 179.411 176.870 0.001 0.000 1.083 40 L CA 1.611 56.449 54.840 -0.004 0.000 0.752 40 L CB -0.581 41.478 42.059 -0.001 0.000 0.899 40 L HN 0.490 nan 8.230 nan 0.000 0.433 41 E N -0.026 120.176 120.200 0.004 0.000 2.204 41 E HA -0.166 4.197 4.350 0.023 0.000 0.194 41 E C 2.098 178.701 176.600 0.005 0.000 0.989 41 E CA 0.861 57.266 56.400 0.008 0.000 0.824 41 E CB 0.002 29.710 29.700 0.014 0.000 0.756 41 E HN 0.502 nan 8.360 nan 0.000 0.477 42 L N 0.350 121.573 121.223 -0.001 0.000 2.558 42 L HA 0.025 4.379 4.340 0.023 0.000 0.225 42 L C -0.072 176.796 176.870 -0.003 0.000 1.128 42 L CA -0.018 54.820 54.840 -0.003 0.000 0.868 42 L CB 0.213 42.267 42.059 -0.008 0.000 1.006 42 L HN 0.027 nan 8.230 nan 0.000 0.454 43 D N -0.705 119.693 120.400 -0.004 0.000 2.835 43 D HA -0.195 4.459 4.640 0.023 0.000 0.230 43 D C 1.089 177.386 176.300 -0.005 0.000 1.130 43 D CA 0.471 54.469 54.000 -0.003 0.000 0.738 43 D CB -1.070 39.730 40.800 -0.000 0.000 1.090 43 D HN 0.180 nan 8.370 nan 0.000 0.433 44 L N -0.607 120.610 121.223 -0.011 0.000 2.056 44 L HA -0.105 4.249 4.340 0.023 0.000 0.207 44 L C 2.538 179.404 176.870 -0.008 0.000 1.078 44 L CA 0.759 55.589 54.840 -0.016 0.000 0.749 44 L CB -0.381 41.657 42.059 -0.035 0.000 0.901 44 L HN 0.274 nan 8.230 nan 0.000 0.433 45 L N -0.586 120.634 121.223 -0.005 0.000 2.046 45 L HA -0.163 4.191 4.340 0.023 0.000 0.208 45 L C 2.761 179.636 176.870 0.008 0.000 1.077 45 L CA 1.021 55.863 54.840 0.004 0.000 0.747 45 L CB -0.630 41.432 42.059 0.005 0.000 0.896 45 L HN 0.280 nan 8.230 nan 0.000 0.432 46 E N 0.541 120.743 120.200 0.003 0.000 2.077 46 E HA -0.180 4.184 4.350 0.023 0.000 0.193 46 E C 2.275 178.880 176.600 0.008 0.000 0.989 46 E CA 1.216 57.618 56.400 0.003 0.000 0.800 46 E CB -0.242 29.459 29.700 0.000 0.000 0.746 46 E HN 0.518 nan 8.360 nan 0.000 0.452 47 I N 0.860 121.434 120.570 0.008 0.000 2.163 47 I HA -0.273 3.911 4.170 0.023 0.000 0.243 47 I C 2.428 178.557 176.117 0.019 0.000 1.085 47 I CA 1.032 62.339 61.300 0.012 0.000 1.347 47 I CB -0.266 37.740 38.000 0.009 0.000 1.044 47 I HN 0.039 nan 8.210 nan 0.000 0.408 48 I N 0.620 121.203 120.570 0.022 0.000 2.315 48 I HA -0.255 3.929 4.170 0.023 0.000 0.248 48 I C 2.776 178.912 176.117 0.031 0.000 1.117 48 I CA 1.113 62.434 61.300 0.035 0.000 1.404 48 I CB -0.466 37.562 38.000 0.046 0.000 1.071 48 I HN 0.180 nan 8.210 nan 0.000 0.419 49 A N 0.876 123.710 122.820 0.024 0.000 1.940 49 A HA -0.219 4.115 4.320 0.023 0.000 0.219 49 A C 2.189 179.785 177.584 0.019 0.000 1.176 49 A CA 1.548 53.597 52.037 0.021 0.000 0.631 49 A CB -0.440 18.569 19.000 0.015 0.000 0.814 49 A HN 0.339 nan 8.150 nan 0.000 0.446 50 K N -0.243 120.167 120.400 0.016 0.000 2.555 50 K HA 0.154 4.488 4.320 0.023 0.000 0.193 50 K C 1.457 178.067 176.600 0.017 0.000 1.032 50 K CA 0.473 56.768 56.287 0.014 0.000 1.004 50 K CB -0.127 32.380 32.500 0.012 0.000 0.804 50 K HN 0.450 nan 8.250 nan 0.000 0.496 51 A N 1.249 124.082 122.820 0.021 0.000 2.251 51 A HA 0.276 4.610 4.320 0.023 0.000 0.209 51 A C 0.783 178.379 177.584 0.021 0.000 1.187 51 A CA 0.583 52.634 52.037 0.023 0.000 0.823 51 A CB -0.106 18.912 19.000 0.030 0.000 0.846 51 A HN 0.339 nan 8.150 nan 0.000 0.486 52 G N -0.845 107.967 108.800 0.020 0.000 2.699 52 G HA2 0.024 3.997 3.960 0.023 0.000 0.686 52 G HA3 0.024 3.997 3.960 0.023 0.000 0.686 52 G C -3.048 171.865 174.900 0.021 0.000 1.301 52 G CA -0.687 44.424 45.100 0.019 0.000 0.816 52 G HN 0.163 nan 8.290 nan 0.000 0.595 53 P HA 0.353 nan 4.420 nan 0.000 0.262 53 P C 1.223 178.537 177.300 0.022 0.000 1.182 53 P CA 2.013 65.126 63.100 0.022 0.000 0.761 53 P CB 0.549 32.261 31.700 0.019 0.000 0.795 54 G N 2.120 110.935 108.800 0.026 0.000 2.200 54 G HA2 -0.266 3.708 3.960 0.023 0.000 0.268 54 G HA3 -0.266 3.708 3.960 0.023 0.000 0.268 54 G C 0.600 175.514 174.900 0.024 0.000 0.986 54 G CA 0.246 45.361 45.100 0.025 0.000 0.677 54 G HN 0.874 nan 8.290 nan 0.000 0.532 55 A N -0.915 121.921 122.820 0.027 0.000 2.386 55 A HA 0.634 4.968 4.320 0.023 0.000 0.246 55 A C 0.510 178.114 177.584 0.034 0.000 1.089 55 A CA 0.621 52.674 52.037 0.027 0.000 0.790 55 A CB 0.342 19.359 19.000 0.028 0.000 1.042 55 A HN 0.616 nan 8.150 nan 0.000 0.497 56 Q N 0.014 119.832 119.800 0.031 0.000 2.269 56 Q HA 0.506 4.860 4.340 0.023 0.000 0.263 56 Q C -1.153 174.871 176.000 0.039 0.000 0.983 56 Q CA -0.149 55.676 55.803 0.037 0.000 0.777 56 Q CB 1.859 30.598 28.738 0.003 0.000 1.273 56 Q HN 0.769 nan 8.270 nan 0.000 0.440 57 I N -1.218 119.397 120.570 0.075 0.000 2.846 57 I HA 0.697 4.881 4.170 0.023 0.000 0.307 57 I C 0.301 176.490 176.117 0.120 0.000 1.053 57 I CA -0.955 60.390 61.300 0.075 0.000 1.050 57 I CB 1.991 40.030 38.000 0.065 0.000 1.239 57 I HN 0.475 nan 8.210 nan 0.000 0.439 58 S N 2.272 118.027 115.700 0.093 0.000 2.614 58 S HA 0.427 4.911 4.470 0.023 0.000 0.265 58 S C -1.943 172.741 174.600 0.139 0.000 1.303 58 S CA -0.917 57.356 58.200 0.121 0.000 1.000 58 S CB 1.004 64.245 63.200 0.069 0.000 0.935 58 S HN 0.595 nan 8.310 nan 0.000 0.551 59 P HA -0.023 nan 4.420 nan 0.000 0.218 59 P C 1.292 178.628 177.300 0.060 0.000 1.148 59 P CA 0.985 64.145 63.100 0.101 0.000 0.822 59 P CB -0.074 31.690 31.700 0.107 0.000 0.784 60 I N -0.518 120.087 120.570 0.059 0.000 2.179 60 I HA -0.233 3.951 4.170 0.023 0.000 0.242 60 I C 2.500 178.638 176.117 0.035 0.000 1.088 60 I CA 1.537 62.861 61.300 0.040 0.000 1.357 60 I CB -0.555 37.466 38.000 0.035 0.000 1.051 60 I HN 0.031 nan 8.210 nan 0.000 0.409 61 E N 1.521 121.746 120.200 0.042 0.000 2.051 61 E HA -0.210 4.154 4.350 0.023 0.000 0.192 61 E C 2.343 178.962 176.600 0.032 0.000 0.991 61 E CA 1.230 57.651 56.400 0.035 0.000 0.799 61 E CB 0.009 29.733 29.700 0.039 0.000 0.748 61 E HN 0.420 nan 8.360 nan 0.000 0.449 62 I N 1.000 121.593 120.570 0.039 0.000 2.163 62 I HA -0.291 3.893 4.170 0.023 0.000 0.243 62 I C 2.568 178.695 176.117 0.017 0.000 1.085 62 I CA 1.141 62.457 61.300 0.027 0.000 1.347 62 I CB -0.376 37.639 38.000 0.024 0.000 1.044 62 I HN 0.181 nan 8.210 nan 0.000 0.408 63 A N 0.704 123.534 122.820 0.017 0.000 1.972 63 A HA -0.206 4.128 4.320 0.023 0.000 0.219 63 A C 2.422 180.013 177.584 0.012 0.000 1.169 63 A CA 1.931 53.975 52.037 0.012 0.000 0.635 63 A CB -0.784 18.225 19.000 0.014 0.000 0.810 63 A HN 0.551 nan 8.150 nan 0.000 0.446 64 S N -0.985 114.724 115.700 0.015 0.000 2.507 64 S HA -0.108 4.376 4.470 0.023 0.000 0.235 64 S C 1.356 175.963 174.600 0.012 0.000 0.988 64 S CA 1.121 59.329 58.200 0.014 0.000 0.944 64 S CB -0.167 63.042 63.200 0.015 0.000 0.762 64 S HN 0.572 nan 8.310 nan 0.000 0.526 65 Q N -0.013 119.794 119.800 0.011 0.000 2.282 65 Q HA 0.411 4.764 4.340 0.023 0.000 0.206 65 Q C -0.413 175.592 176.000 0.008 0.000 0.878 65 Q CA -0.118 55.691 55.803 0.010 0.000 0.944 65 Q CB -0.021 28.723 28.738 0.011 0.000 1.100 65 Q HN 0.418 nan 8.270 nan 0.000 0.509 66 L N 3.086 124.313 121.223 0.007 0.000 2.395 66 L HA 0.227 4.580 4.340 0.023 0.000 0.269 66 L C -1.748 175.126 176.870 0.006 0.000 1.133 66 L CA -1.802 53.042 54.840 0.005 0.000 0.812 66 L CB 0.448 42.509 42.059 0.004 0.000 1.125 66 L HN -0.067 nan 8.230 nan 0.000 0.452 67 P HA 0.091 nan 4.420 nan 0.000 0.226 67 P C -0.460 176.843 177.300 0.006 0.000 1.783 67 P CA 0.139 63.243 63.100 0.006 0.000 0.980 67 P CB 0.113 31.817 31.700 0.006 0.000 1.967 68 T N -0.828 113.729 114.554 0.006 0.000 2.749 68 T HA 0.405 4.769 4.350 0.023 0.000 0.310 68 T C 0.318 175.022 174.700 0.006 0.000 1.496 68 T CA -0.088 62.015 62.100 0.006 0.000 1.006 68 T CB 1.093 69.965 68.868 0.006 0.000 1.457 68 T HN 0.078 nan 8.240 nan 0.000 0.497 69 T N -0.383 114.175 114.554 0.006 0.000 3.091 69 T HA 0.292 4.656 4.350 0.023 0.000 0.277 69 T C 0.476 175.181 174.700 0.007 0.000 0.996 69 T CA -0.237 61.867 62.100 0.007 0.000 0.897 69 T CB -0.305 68.566 68.868 0.006 0.000 1.109 69 T HN 0.534 nan 8.240 nan 0.000 0.534 70 N N 3.892 122.596 118.700 0.006 0.000 2.394 70 N HA 0.070 4.824 4.740 0.023 0.000 0.277 70 N C -1.655 173.859 175.510 0.008 0.000 1.346 70 N CA -1.499 51.555 53.050 0.007 0.000 0.910 70 N CB 1.148 39.638 38.487 0.006 0.000 1.201 70 N HN 0.140 nan 8.380 nan 0.000 0.488 71 P HA -0.066 nan 4.420 nan 0.000 0.221 71 P C -0.013 177.293 177.300 0.010 0.000 1.145 71 P CA 1.044 64.149 63.100 0.009 0.000 0.795 71 P CB 0.304 32.009 31.700 0.008 0.000 0.775 72 D N -1.244 119.161 120.400 0.009 0.000 2.339 72 D HA 0.117 4.771 4.640 0.023 0.000 0.217 72 D C 1.841 178.147 176.300 0.009 0.000 1.050 72 D CA 0.374 54.379 54.000 0.009 0.000 0.856 72 D CB -0.357 40.448 40.800 0.008 0.000 0.922 72 D HN 0.065 nan 8.370 nan 0.000 0.518 73 A N 2.017 124.842 122.820 0.008 0.000 1.865 73 A HA -0.119 4.215 4.320 0.023 0.000 0.217 73 A C -0.178 177.411 177.584 0.009 0.000 1.191 73 A CA 1.245 53.286 52.037 0.007 0.000 0.623 73 A CB -1.452 17.552 19.000 0.006 0.000 0.826 73 A HN 0.161 nan 8.150 nan 0.000 0.444 74 P HA -0.168 nan 4.420 nan 0.000 0.215 74 P C 1.647 178.962 177.300 0.025 0.000 1.163 74 P CA 1.785 64.898 63.100 0.022 0.000 0.894 74 P CB -0.205 31.511 31.700 0.027 0.000 0.791 75 V N -1.262 118.666 119.914 0.023 0.000 2.392 75 V HA -0.269 3.865 4.120 0.023 0.000 0.249 75 V C 2.396 178.501 176.094 0.018 0.000 1.059 75 V CA 1.964 64.279 62.300 0.025 0.000 1.051 75 V CB -1.166 30.669 31.823 0.022 0.000 0.658 75 V HN 0.112 nan 8.190 nan 0.000 0.455 76 M N -1.019 118.586 119.600 0.010 0.000 2.175 76 M HA -0.115 4.378 4.480 0.023 0.000 0.264 76 M C 2.141 178.436 176.300 -0.009 0.000 1.063 76 M CA 1.769 57.071 55.300 0.002 0.000 1.119 76 M CB -0.400 32.200 32.600 0.000 0.000 1.377 76 M HN 0.259 nan 8.290 nan 0.000 0.415 77 L N -0.204 121.011 121.223 -0.014 0.000 2.056 77 L HA -0.216 4.138 4.340 0.023 0.000 0.207 77 L C 2.225 179.055 176.870 -0.067 0.000 1.078 77 L CA 0.981 55.795 54.840 -0.043 0.000 0.749 77 L CB -0.667 41.370 42.059 -0.037 0.000 0.901 77 L HN 0.279 nan 8.230 nan 0.000 0.433 78 D N 0.407 120.801 120.400 -0.010 0.000 2.149 78 D HA -0.193 4.461 4.640 0.023 0.000 0.198 78 D C 2.298 178.614 176.300 0.027 0.000 0.990 78 D CA 1.394 55.418 54.000 0.041 0.000 0.839 78 D CB 0.135 40.992 40.800 0.095 0.000 0.948 78 D HN 0.179 nan 8.370 nan 0.000 0.460 79 R N -0.875 119.633 120.500 0.014 0.000 2.090 79 R HA 0.036 4.389 4.340 0.023 0.000 0.228 79 R C 2.552 178.850 176.300 -0.004 0.000 1.110 79 R CA 0.993 57.105 56.100 0.019 0.000 0.973 79 R CB -0.124 30.187 30.300 0.018 0.000 0.869 79 R HN 0.289 nan 8.270 nan 0.000 0.440 80 M N 0.300 119.877 119.600 -0.039 0.000 2.123 80 M HA -0.082 4.412 4.480 0.023 0.000 0.263 80 M C 2.135 178.375 176.300 -0.100 0.000 1.069 80 M CA 1.509 56.776 55.300 -0.054 0.000 1.133 80 M CB -0.188 32.376 32.600 -0.061 0.000 1.356 80 M HN 0.068 nan 8.290 nan 0.000 0.415 81 L N -0.331 120.759 121.223 -0.221 0.000 2.042 81 L HA -0.212 4.142 4.340 0.023 0.000 0.210 81 L C 2.676 179.371 176.870 -0.292 0.000 1.076 81 L CA 1.332 55.894 54.840 -0.463 0.000 0.749 81 L CB -0.728 40.706 42.059 -1.042 0.000 0.893 81 L HN 0.319 nan 8.230 nan 0.000 0.432 82 R N 0.602 121.066 120.500 -0.060 0.000 2.091 82 R HA -0.231 4.123 4.340 0.023 0.000 0.238 82 R C 2.347 178.734 176.300 0.144 0.000 1.136 82 R CA 1.631 57.845 56.100 0.190 0.000 0.959 82 R CB -0.324 30.081 30.300 0.174 0.000 0.856 82 R HN 0.271 nan 8.270 nan 0.000 0.437 83 L N 0.661 121.941 121.223 0.094 0.000 2.046 83 L HA -0.122 4.232 4.340 0.023 0.000 0.208 83 L C 2.070 179.065 176.870 0.208 0.000 1.077 83 L CA 1.461 56.390 54.840 0.149 0.000 0.747 83 L CB -0.183 41.936 42.059 0.100 0.000 0.896 83 L HN 0.256 nan 8.230 nan 0.000 0.432 84 L N -0.525 120.761 121.223 0.105 0.000 2.079 84 L HA -0.209 4.145 4.340 0.023 0.000 0.210 84 L C 2.747 179.720 176.870 0.172 0.000 1.081 84 L CA 1.113 56.020 54.840 0.111 0.000 0.752 84 L CB -1.038 41.029 42.059 0.014 0.000 0.896 84 L HN 0.400 nan 8.230 nan 0.000 0.433 85 A N -0.610 122.319 122.820 0.182 0.000 1.873 85 A HA -0.218 4.116 4.320 0.023 0.000 0.215 85 A C 2.406 180.074 177.584 0.139 0.000 1.186 85 A CA 1.744 53.901 52.037 0.201 0.000 0.616 85 A CB -1.183 17.999 19.000 0.303 0.000 0.823 85 A HN 0.528 nan 8.150 nan 0.000 0.442 86 C N -2.184 117.191 119.300 0.125 0.000 2.403 86 C HA -0.148 4.326 4.460 0.023 0.000 0.279 86 C C 2.177 177.114 174.990 -0.088 0.000 1.269 86 C CA 0.853 59.875 59.018 0.007 0.000 1.774 86 C CB -1.719 26.005 27.740 -0.027 0.000 1.993 86 C HN 0.670 nan 8.230 nan 0.000 0.496 87 Y N -0.160 120.166 120.300 0.043 0.000 2.466 87 Y HA 0.266 4.830 4.550 0.023 0.000 0.272 87 Y C 1.194 177.115 175.900 0.035 0.000 1.169 87 Y CA 0.094 58.216 58.100 0.036 0.000 1.285 87 Y CB 0.097 38.575 38.460 0.030 0.000 1.078 87 Y HN 0.079 nan 8.280 nan 0.000 0.523 88 I N -0.256 120.394 120.570 0.133 0.000 5.965 88 I HA -0.350 3.834 4.170 0.023 0.000 0.126 88 I C 0.631 176.811 176.117 0.105 0.000 1.819 88 I CA 0.547 61.905 61.300 0.097 0.000 2.039 88 I CB -2.283 35.754 38.000 0.062 0.000 3.417 88 I HN 0.310 nan 8.210 nan 0.000 0.170 89 I N -0.300 120.344 120.570 0.122 0.000 3.462 89 I HA 0.112 4.296 4.170 0.023 0.000 0.290 89 I C 1.135 177.306 176.117 0.090 0.000 1.236 89 I CA 0.785 62.142 61.300 0.095 0.000 1.418 89 I CB 0.394 38.444 38.000 0.084 0.000 1.102 89 I HN 0.088 nan 8.210 nan 0.000 0.441 90 L N -0.288 121.003 121.223 0.113 0.000 2.354 90 L HA 0.417 4.771 4.340 0.023 0.000 0.264 90 L C -0.035 176.922 176.870 0.146 0.000 1.008 90 L CA -0.767 54.156 54.840 0.138 0.000 0.819 90 L CB 2.164 44.332 42.059 0.182 0.000 1.339 90 L HN 0.012 nan 8.230 nan 0.000 0.420 91 T N -2.159 112.473 114.554 0.131 0.000 2.902 91 T HA 0.555 4.919 4.350 0.023 0.000 0.280 91 T C -0.522 174.222 174.700 0.074 0.000 0.992 91 T CA -0.701 61.448 62.100 0.083 0.000 1.015 91 T CB 1.892 70.791 68.868 0.051 0.000 1.044 91 T HN 0.663 nan 8.240 nan 0.000 0.520 92 C N 1.432 120.722 119.300 -0.016 0.000 2.871 92 C HA 0.686 5.160 4.460 0.023 0.000 0.378 92 C C -0.795 174.100 174.990 -0.159 0.000 1.052 92 C CA -0.390 58.527 59.018 -0.168 0.000 1.250 92 C CB 0.625 28.244 27.740 -0.201 0.000 1.689 92 C HN 1.024 nan 8.230 nan 0.000 0.506 93 S N 3.382 118.963 115.700 -0.198 0.000 2.482 93 S HA 0.739 5.223 4.470 0.023 0.000 0.303 93 S C -0.432 174.075 174.600 -0.156 0.000 1.091 93 S CA -0.502 57.619 58.200 -0.132 0.000 1.057 93 S CB 1.724 64.872 63.200 -0.087 0.000 1.031 93 S HN 0.721 nan 8.310 nan 0.000 0.485 94 V N 3.779 123.628 119.914 -0.107 0.000 2.713 94 V HA 0.745 4.879 4.120 0.023 0.000 0.307 94 V C 0.224 176.282 176.094 -0.059 0.000 1.052 94 V CA -0.708 61.539 62.300 -0.090 0.000 0.967 94 V CB 1.534 33.318 31.823 -0.065 0.000 1.019 94 V HN 0.868 nan 8.190 nan 0.000 0.459 95 R N 1.280 121.752 120.500 -0.047 0.000 2.634 95 R HA 0.363 4.717 4.340 0.023 0.000 0.263 95 R C -1.662 174.625 176.300 -0.020 0.000 1.060 95 R CA -0.407 55.674 56.100 -0.030 0.000 0.898 95 R CB 2.086 32.368 30.300 -0.030 0.000 1.253 95 R HN 0.685 nan 8.270 nan 0.000 0.461 96 T N 3.259 117.805 114.554 -0.013 0.000 2.795 96 T HA 0.262 4.626 4.350 0.023 0.000 0.282 96 T C -0.314 174.383 174.700 -0.005 0.000 0.980 96 T CA -0.548 61.548 62.100 -0.008 0.000 1.012 96 T CB 1.369 70.234 68.868 -0.006 0.000 0.936 96 T HN 0.289 nan 8.240 nan 0.000 0.457 97 Q N 1.951 121.750 119.800 -0.002 0.000 2.306 97 Q HA 0.193 4.547 4.340 0.023 0.000 0.241 97 Q C 1.259 177.259 176.000 0.001 0.000 0.948 97 Q CA -0.028 55.775 55.803 0.001 0.000 0.886 97 Q CB 0.914 29.654 28.738 0.004 0.000 1.227 97 Q HN 0.678 nan 8.270 nan 0.000 0.457 98 Q N 0.584 120.385 119.800 0.002 0.000 2.443 98 Q HA -0.184 4.170 4.340 0.023 0.000 0.213 98 Q C 0.581 176.582 176.000 0.003 0.000 0.982 98 Q CA 1.334 57.138 55.803 0.002 0.000 0.894 98 Q CB 0.228 28.967 28.738 0.002 0.000 0.947 98 Q HN 0.530 nan 8.270 nan 0.000 0.480 99 D N -1.653 118.749 120.400 0.004 0.000 2.339 99 D HA 0.041 4.695 4.640 0.023 0.000 0.217 99 D C 1.006 177.309 176.300 0.004 0.000 1.050 99 D CA 0.671 54.673 54.000 0.004 0.000 0.856 99 D CB 0.081 40.885 40.800 0.006 0.000 0.922 99 D HN 0.199 nan 8.370 nan 0.000 0.518 100 G N 0.430 109.232 108.800 0.003 0.000 2.143 100 G HA2 -0.245 3.729 3.960 0.023 0.000 0.248 100 G HA3 -0.245 3.729 3.960 0.023 0.000 0.248 100 G C 0.013 174.915 174.900 0.004 0.000 0.991 100 G CA 0.069 45.171 45.100 0.003 0.000 0.689 100 G HN 0.355 nan 8.290 nan 0.000 0.522 101 K N 0.304 120.707 120.400 0.005 0.000 2.203 101 K HA 0.670 5.004 4.320 0.023 0.000 0.251 101 K C 0.634 177.237 176.600 0.004 0.000 0.944 101 K CA -0.510 55.781 56.287 0.006 0.000 0.829 101 K CB 2.491 34.996 32.500 0.010 0.000 1.125 101 K HN 0.636 nan 8.250 nan 0.000 0.430 102 V N -0.707 119.209 119.914 0.004 0.000 2.607 102 V HA 0.361 4.495 4.120 0.023 0.000 0.289 102 V C -0.091 176.004 176.094 0.002 0.000 1.053 102 V CA -0.673 61.627 62.300 -0.001 0.000 0.996 102 V CB 1.037 32.858 31.823 -0.003 0.000 0.995 102 V HN 0.764 nan 8.190 nan 0.000 0.476 103 Q N 2.989 122.784 119.800 -0.008 0.000 2.321 103 Q HA 0.520 4.874 4.340 0.023 0.000 0.270 103 Q C -0.795 175.178 176.000 -0.045 0.000 1.032 103 Q CA -0.787 55.012 55.803 -0.007 0.000 0.784 103 Q CB 2.117 30.855 28.738 0.001 0.000 1.264 103 Q HN 0.880 nan 8.270 nan 0.000 0.448 104 R N 2.691 123.155 120.500 -0.060 0.000 2.404 104 R HA 0.524 4.878 4.340 0.023 0.000 0.291 104 R C -0.741 175.382 176.300 -0.295 0.000 1.025 104 R CA -0.231 55.729 56.100 -0.233 0.000 0.991 104 R CB 0.919 31.035 30.300 -0.308 0.000 1.053 104 R HN 0.504 nan 8.270 nan 0.000 0.479 105 L N 3.826 124.808 121.223 -0.402 0.000 2.333 105 L HA 0.468 4.821 4.340 0.023 0.000 0.280 105 L C -1.122 175.529 176.870 -0.366 0.000 1.004 105 L CA -0.872 53.827 54.840 -0.235 0.000 0.820 105 L CB 1.079 43.075 42.059 -0.106 0.000 1.247 105 L HN 0.511 nan 8.230 nan 0.000 0.416 106 Y N 0.906 121.216 120.300 0.017 0.000 2.409 106 Y HA 0.763 5.327 4.550 0.023 0.000 0.339 106 Y C 0.695 176.607 175.900 0.019 0.000 1.033 106 Y CA -0.709 57.403 58.100 0.019 0.000 1.094 106 Y CB 2.186 40.659 38.460 0.022 0.000 1.210 106 Y HN 0.562 nan 8.280 nan 0.000 0.456 107 G N 1.765 110.669 108.800 0.173 0.000 2.630 107 G HA2 0.660 4.634 3.960 0.023 0.000 0.296 107 G HA3 0.660 4.634 3.960 0.023 0.000 0.296 107 G C -1.614 173.350 174.900 0.106 0.000 1.285 107 G CA -1.145 44.020 45.100 0.108 0.000 0.958 107 G HN 0.544 nan 8.290 nan 0.000 0.479 108 L N 1.001 122.270 121.223 0.077 0.000 2.305 108 L HA 0.541 4.895 4.340 0.023 0.000 0.281 108 L C 1.019 177.929 176.870 0.067 0.000 1.085 108 L CA -0.677 54.205 54.840 0.071 0.000 0.813 108 L CB 1.229 43.323 42.059 0.058 0.000 1.157 108 L HN 0.639 nan 8.230 nan 0.000 0.436 109 A N 2.590 125.452 122.820 0.070 0.000 2.259 109 A HA 0.349 4.683 4.320 0.023 0.000 0.278 109 A C 1.257 178.879 177.584 0.063 0.000 1.107 109 A CA -0.203 51.871 52.037 0.063 0.000 0.828 109 A CB 0.395 19.435 19.000 0.066 0.000 1.111 109 A HN 0.821 nan 8.150 nan 0.000 0.498 110 T N -0.071 114.516 114.554 0.056 0.000 2.708 110 T HA -0.155 4.209 4.350 0.023 0.000 0.266 110 T C 1.867 176.616 174.700 0.083 0.000 1.037 110 T CA 1.653 63.791 62.100 0.063 0.000 1.146 110 T CB -0.406 68.487 68.868 0.042 0.000 0.865 110 T HN 0.523 nan 8.240 nan 0.000 0.435 111 V N 1.417 121.368 119.914 0.062 0.000 2.392 111 V HA -0.178 3.956 4.120 0.023 0.000 0.249 111 V C 2.579 178.745 176.094 0.119 0.000 1.059 111 V CA 2.035 64.380 62.300 0.074 0.000 1.051 111 V CB -0.964 30.885 31.823 0.043 0.000 0.658 111 V HN 0.535 nan 8.190 nan 0.000 0.455 112 A N -0.695 122.178 122.820 0.090 0.000 1.930 112 A HA -0.180 4.154 4.320 0.023 0.000 0.217 112 A C 2.222 179.852 177.584 0.077 0.000 1.175 112 A CA 1.744 53.826 52.037 0.075 0.000 0.627 112 A CB -0.480 18.556 19.000 0.060 0.000 0.815 112 A HN 0.595 nan 8.150 nan 0.000 0.443 113 K N -1.710 118.743 120.400 0.089 0.000 2.103 113 K HA -0.181 4.153 4.320 0.023 0.000 0.207 113 K C 1.850 178.499 176.600 0.082 0.000 1.048 113 K CA 1.725 58.059 56.287 0.077 0.000 0.930 113 K CB -0.342 32.210 32.500 0.086 0.000 0.716 113 K HN 0.593 nan 8.250 nan 0.000 0.444 114 Y N 1.090 121.390 120.300 0.001 0.000 2.421 114 Y HA -0.061 4.503 4.550 0.024 0.000 0.292 114 Y C 1.458 177.348 175.900 -0.018 0.000 1.136 114 Y CA 0.944 59.036 58.100 -0.012 0.000 1.255 114 Y CB 0.174 38.616 38.460 -0.030 0.000 0.991 114 Y HN -0.039 nan 8.280 nan 0.000 0.552 115 L N -0.425 120.822 121.223 0.039 0.000 2.592 115 L HA 0.103 4.457 4.340 0.023 0.000 0.227 115 L C 0.222 177.066 176.870 -0.043 0.000 1.127 115 L CA -0.296 54.537 54.840 -0.012 0.000 0.884 115 L CB 0.065 42.143 42.059 0.033 0.000 1.065 115 L HN -0.153 nan 8.230 nan 0.000 0.457 116 V N 0.802 120.687 119.914 -0.047 0.000 2.775 116 V HA 0.030 4.164 4.120 0.023 0.000 0.299 116 V C 0.621 176.675 176.094 -0.067 0.000 1.062 116 V CA -0.470 61.806 62.300 -0.039 0.000 1.063 116 V CB 1.186 32.997 31.823 -0.020 0.000 0.994 116 V HN 0.210 nan 8.190 nan 0.000 0.483 117 K N 3.237 123.609 120.400 -0.047 0.000 2.295 117 K HA 0.168 4.501 4.320 0.023 0.000 0.270 117 K C 0.214 176.786 176.600 -0.048 0.000 1.011 117 K CA -0.257 56.000 56.287 -0.050 0.000 0.953 117 K CB 0.373 32.855 32.500 -0.030 0.000 0.956 117 K HN 0.852 nan 8.250 nan 0.000 0.477 118 N N 0.894 119.562 118.700 -0.053 0.000 2.431 118 N HA -0.002 4.752 4.740 0.023 0.000 0.289 118 N C 0.366 175.862 175.510 -0.024 0.000 1.277 118 N CA -0.231 52.794 53.050 -0.041 0.000 0.972 118 N CB 0.195 38.655 38.487 -0.046 0.000 1.143 118 N HN 0.341 nan 8.380 nan 0.000 0.578 119 E N -0.746 119.444 120.200 -0.017 0.000 2.171 119 E HA -0.150 4.214 4.350 0.023 0.000 0.197 119 E C 0.448 177.043 176.600 -0.009 0.000 0.997 119 E CA 1.491 57.885 56.400 -0.010 0.000 0.810 119 E CB -0.346 29.349 29.700 -0.008 0.000 0.738 119 E HN 0.556 nan 8.360 nan 0.000 0.467 120 D N -1.109 119.285 120.400 -0.010 0.000 2.349 120 D HA 0.108 4.762 4.640 0.023 0.000 0.215 120 D C 0.866 177.163 176.300 -0.006 0.000 1.016 120 D CA 0.886 54.882 54.000 -0.006 0.000 0.870 120 D CB 0.502 41.300 40.800 -0.004 0.000 0.917 120 D HN 0.302 nan 8.370 nan 0.000 0.524 121 G N 0.679 109.472 108.800 -0.012 0.000 2.132 121 G HA2 -0.245 3.729 3.960 0.023 0.000 0.228 121 G HA3 -0.245 3.729 3.960 0.023 0.000 0.228 121 G C 0.184 175.075 174.900 -0.015 0.000 1.000 121 G CA 0.082 45.175 45.100 -0.012 0.000 0.693 121 G HN 0.254 nan 8.290 nan 0.000 0.515 122 V N 0.041 119.943 119.914 -0.021 0.000 2.532 122 V HA 0.909 5.043 4.120 0.023 0.000 0.295 122 V C 0.494 176.557 176.094 -0.052 0.000 1.041 122 V CA 0.254 62.540 62.300 -0.023 0.000 0.926 122 V CB 1.810 33.627 31.823 -0.010 0.000 0.992 122 V HN 1.067 nan 8.190 nan 0.000 0.457 123 S N 2.626 118.296 115.700 -0.051 0.000 2.586 123 S HA 0.367 4.851 4.470 0.023 0.000 0.277 123 S C 0.315 174.881 174.600 -0.057 0.000 1.131 123 S CA -0.637 57.508 58.200 -0.092 0.000 0.848 123 S CB 1.214 64.362 63.200 -0.087 0.000 1.091 123 S HN 0.402 nan 8.310 nan 0.000 0.453 124 I N 3.261 123.787 120.570 -0.073 0.000 2.454 124 I HA -0.099 4.085 4.170 0.023 0.000 0.254 124 I C 2.707 178.812 176.117 -0.020 0.000 1.156 124 I CA 2.019 63.308 61.300 -0.019 0.000 1.433 124 I CB -1.838 36.184 38.000 0.036 0.000 1.082 124 I HN 0.866 nan 8.210 nan 0.000 0.432 125 S N 1.635 117.322 115.700 -0.023 0.000 2.440 125 S HA -0.188 4.296 4.470 0.023 0.000 0.240 125 S C 2.149 176.743 174.600 -0.011 0.000 1.014 125 S CA 1.110 59.303 58.200 -0.012 0.000 0.980 125 S CB -0.537 62.654 63.200 -0.014 0.000 0.775 125 S HN 0.438 nan 8.310 nan 0.000 0.499 126 A N 1.322 124.132 122.820 -0.016 0.000 2.067 126 A HA 0.270 4.604 4.320 0.023 0.000 0.219 126 A C 2.213 179.784 177.584 -0.022 0.000 1.158 126 A CA 0.965 52.993 52.037 -0.015 0.000 0.661 126 A CB -0.596 18.394 19.000 -0.016 0.000 0.801 126 A HN 0.585 nan 8.150 nan 0.000 0.452 127 L N -0.571 120.631 121.223 -0.036 0.000 2.179 127 L HA -0.113 4.241 4.340 0.023 0.000 0.208 127 L C 2.245 179.108 176.870 -0.012 0.000 1.096 127 L CA 0.716 55.523 54.840 -0.054 0.000 0.779 127 L CB -0.524 41.464 42.059 -0.119 0.000 0.922 127 L HN 0.459 nan 8.230 nan 0.000 0.443 128 N N 0.405 119.104 118.700 -0.002 0.000 2.084 128 N HA -0.156 4.598 4.740 0.023 0.000 0.190 128 N C 1.935 177.465 175.510 0.034 0.000 1.030 128 N CA 1.254 54.313 53.050 0.016 0.000 0.849 128 N CB -0.099 38.394 38.487 0.009 0.000 1.012 128 N HN 0.320 nan 8.380 nan 0.000 0.423 129 L N 0.743 121.985 121.223 0.031 0.000 2.141 129 L HA -0.085 4.269 4.340 0.023 0.000 0.209 129 L C 2.585 179.504 176.870 0.082 0.000 1.094 129 L CA 0.712 55.581 54.840 0.049 0.000 0.763 129 L CB -0.246 41.834 42.059 0.036 0.000 0.908 129 L HN 0.259 nan 8.230 nan 0.000 0.437 130 M N 0.255 119.899 119.600 0.074 0.000 2.115 130 M HA -0.157 4.336 4.480 0.023 0.000 0.261 130 M C 1.820 178.224 176.300 0.172 0.000 1.079 130 M CA 1.877 57.251 55.300 0.123 0.000 1.143 130 M CB -0.210 32.422 32.600 0.055 0.000 1.332 130 M HN 0.222 nan 8.290 nan 0.000 0.421 131 N N -0.144 118.634 118.700 0.129 0.000 2.205 131 N HA -0.204 4.550 4.740 0.023 0.000 0.186 131 N C 0.669 176.286 175.510 0.177 0.000 1.015 131 N CA 1.143 54.291 53.050 0.163 0.000 0.862 131 N CB -0.008 38.556 38.487 0.128 0.000 0.986 131 N HN 0.402 nan 8.380 nan 0.000 0.429 132 Q N 0.457 120.337 119.800 0.132 0.000 2.201 132 Q HA 0.157 4.511 4.340 0.023 0.000 0.217 132 Q C -0.982 175.090 176.000 0.121 0.000 0.860 132 Q CA 0.008 55.882 55.803 0.119 0.000 0.984 132 Q CB 0.318 29.099 28.738 0.070 0.000 1.095 132 Q HN 0.237 nan 8.270 nan 0.000 0.477 133 D N 0.702 121.191 120.400 0.149 0.000 2.351 133 D HA -0.033 4.621 4.640 0.023 0.000 0.251 133 D C 0.776 177.139 176.300 0.105 0.000 1.137 133 D CA 0.017 54.106 54.000 0.149 0.000 0.879 133 D CB 1.039 41.990 40.800 0.251 0.000 1.181 133 D HN 0.236 nan 8.370 nan 0.000 0.448 134 K N 1.851 122.303 120.400 0.087 0.000 2.144 134 K HA -0.201 4.133 4.320 0.023 0.000 0.209 134 K C 1.655 178.273 176.600 0.029 0.000 1.047 134 K CA 1.322 57.656 56.287 0.078 0.000 0.927 134 K CB -0.419 32.125 32.500 0.073 0.000 0.716 134 K HN 0.232 nan 8.250 nan 0.000 0.454 135 V N 1.803 121.660 119.914 -0.096 0.000 2.332 135 V HA -0.213 3.921 4.120 0.023 0.000 0.248 135 V C 2.356 178.291 176.094 -0.264 0.000 1.055 135 V CA 1.701 63.801 62.300 -0.333 0.000 1.038 135 V CB -0.407 30.823 31.823 -0.988 0.000 0.651 135 V HN 0.343 nan 8.190 nan 0.000 0.450 136 L N -1.428 119.691 121.223 -0.173 0.000 2.270 136 L HA -0.025 4.329 4.340 0.023 0.000 0.210 136 L C 2.473 179.357 176.870 0.023 0.000 1.104 136 L CA 0.564 55.358 54.840 -0.076 0.000 0.804 136 L CB -0.397 41.641 42.059 -0.035 0.000 0.937 136 L HN 0.281 nan 8.230 nan 0.000 0.450 137 M N -0.224 119.437 119.600 0.103 0.000 2.213 137 M HA -0.209 4.284 4.480 0.023 0.000 0.263 137 M C 2.065 178.395 176.300 0.049 0.000 1.062 137 M CA 1.431 56.856 55.300 0.209 0.000 1.105 137 M CB -0.875 31.852 32.600 0.211 0.000 1.385 137 M HN 0.169 nan 8.290 nan 0.000 0.417 138 E N 0.604 120.857 120.200 0.088 0.000 2.160 138 E HA -0.113 4.251 4.350 0.023 0.000 0.195 138 E C 1.861 178.494 176.600 0.055 0.000 0.991 138 E CA 1.630 58.129 56.400 0.165 0.000 0.810 138 E CB 0.016 29.729 29.700 0.021 0.000 0.742 138 E HN 0.392 nan 8.360 nan 0.000 0.466 139 S N -0.270 115.374 115.700 -0.094 0.000 2.370 139 S HA -0.191 4.293 4.470 0.023 0.000 0.226 139 S C 1.534 176.051 174.600 -0.140 0.000 1.033 139 S CA 1.357 59.473 58.200 -0.140 0.000 1.011 139 S CB -0.688 62.396 63.200 -0.192 0.000 0.852 139 S HN 0.484 nan 8.310 nan 0.000 0.457 140 W N 0.802 122.012 121.300 -0.151 0.000 2.321 140 W HA -0.202 4.473 4.660 0.025 0.000 0.306 140 W C 1.824 178.178 176.519 -0.275 0.000 1.217 140 W CA 0.695 57.869 57.345 -0.284 0.000 1.257 140 W CB -0.712 28.473 29.460 -0.460 0.000 1.145 140 W HN 0.378 nan 8.180 nan 0.000 0.509 141 Y N -1.511 118.898 120.300 0.182 0.000 2.639 141 Y HA -0.147 4.417 4.550 0.023 0.000 0.297 141 Y C 1.434 177.167 175.900 -0.279 0.000 1.151 141 Y CA 0.871 58.941 58.100 -0.049 0.000 1.335 141 Y CB -0.713 37.670 38.460 -0.128 0.000 0.994 141 Y HN 0.117 nan 8.280 nan 0.000 0.548 142 H N -1.678 117.437 119.070 0.074 0.000 2.672 142 H HA 0.148 4.718 4.556 0.024 0.000 0.277 142 H C 1.754 177.088 175.328 0.010 0.000 1.074 142 H CA -0.135 55.924 56.048 0.017 0.000 1.173 142 H CB 0.158 29.894 29.762 -0.043 0.000 1.558 142 H HN 0.276 nan 8.280 nan 0.000 0.539 143 L N 0.586 121.870 121.223 0.101 0.000 2.017 143 L HA -0.209 4.145 4.340 0.023 0.000 0.208 143 L C 2.494 179.396 176.870 0.055 0.000 1.073 143 L CA 1.540 56.429 54.840 0.082 0.000 0.745 143 L CB -0.147 41.996 42.059 0.140 0.000 0.894 143 L HN 0.250 nan 8.230 nan 0.000 0.432 144 K N -0.167 120.257 120.400 0.040 0.000 2.044 144 K HA -0.255 4.079 4.320 0.023 0.000 0.210 144 K C 1.614 178.224 176.600 0.017 0.000 1.049 144 K CA 2.173 58.471 56.287 0.019 0.000 0.927 144 K CB -0.113 32.389 32.500 0.003 0.000 0.713 144 K HN 0.353 nan 8.250 nan 0.000 0.443 145 D N 0.130 120.541 120.400 0.019 0.000 2.144 145 D HA -0.100 4.554 4.640 0.023 0.000 0.200 145 D C 1.782 178.102 176.300 0.034 0.000 0.978 145 D CA 1.171 55.186 54.000 0.026 0.000 0.833 145 D CB -0.192 40.632 40.800 0.040 0.000 0.961 145 D HN 0.360 nan 8.370 nan 0.000 0.470 146 A N 0.679 123.526 122.820 0.044 0.000 1.908 146 A HA -0.154 4.180 4.320 0.023 0.000 0.218 146 A C 2.519 180.116 177.584 0.021 0.000 1.181 146 A CA 1.281 53.337 52.037 0.032 0.000 0.627 146 A CB -0.714 18.303 19.000 0.028 0.000 0.818 146 A HN 0.154 nan 8.150 nan 0.000 0.445 147 V N -0.065 119.861 119.914 0.021 0.000 2.307 147 V HA -0.208 3.926 4.120 0.023 0.000 0.245 147 V C 2.514 178.615 176.094 0.012 0.000 1.045 147 V CA 1.913 64.222 62.300 0.016 0.000 1.024 147 V CB -0.662 31.171 31.823 0.016 0.000 0.651 147 V HN 0.563 nan 8.190 nan 0.000 0.449 148 L N -0.493 120.737 121.223 0.012 0.000 2.131 148 L HA -0.016 4.338 4.340 0.023 0.000 0.206 148 L C 1.723 178.599 176.870 0.009 0.000 1.087 148 L CA 1.155 56.000 54.840 0.008 0.000 0.767 148 L CB -0.404 41.658 42.059 0.006 0.000 0.917 148 L HN 0.317 nan 8.230 nan 0.000 0.441 149 D N -0.456 119.952 120.400 0.013 0.000 2.407 149 D HA 0.236 4.890 4.640 0.023 0.000 0.208 149 D C 0.964 177.272 176.300 0.013 0.000 1.083 149 D CA 0.821 54.829 54.000 0.013 0.000 0.844 149 D CB 0.894 41.703 40.800 0.015 0.000 0.967 149 D HN 0.252 nan 8.370 nan 0.000 0.506 150 G N 0.077 108.885 108.800 0.014 0.000 2.781 150 G HA2 0.342 4.316 3.960 0.023 0.000 0.683 150 G HA3 0.342 4.316 3.960 0.023 0.000 0.683 150 G C 0.316 175.225 174.900 0.016 0.000 1.390 150 G CA -0.397 44.711 45.100 0.014 0.000 0.850 150 G HN 0.845 nan 8.290 nan 0.000 0.557 151 G N -1.505 107.304 108.800 0.015 0.000 2.592 151 G HA2 0.429 4.403 3.960 0.023 0.000 0.684 151 G HA3 0.429 4.403 3.960 0.023 0.000 0.684 151 G C -0.532 174.374 174.900 0.011 0.000 1.291 151 G CA 0.200 45.309 45.100 0.015 0.000 0.891 151 G HN 2.394 nan 8.290 nan 0.000 0.544 152 I N 1.067 121.644 120.570 0.012 0.000 2.406 152 I HA 0.663 4.846 4.170 0.023 0.000 0.290 152 I C -1.279 174.844 176.117 0.010 0.000 0.999 152 I CA -2.437 58.867 61.300 0.008 0.000 1.124 152 I CB 2.277 40.287 38.000 0.016 0.000 1.289 152 I HN 0.288 nan 8.210 nan 0.000 0.441 153 P HA -0.245 nan 4.420 nan 0.000 0.217 153 P C 1.441 178.698 177.300 -0.072 0.000 1.162 153 P CA 1.742 64.832 63.100 -0.016 0.000 0.901 153 P CB -0.080 31.586 31.700 -0.056 0.000 0.793 154 F N 0.372 120.269 119.950 -0.088 0.000 2.126 154 F HA -0.210 4.331 4.527 0.023 0.000 0.299 154 F C 1.885 177.671 175.800 -0.023 0.000 1.096 154 F CA 1.677 59.666 58.000 -0.017 0.000 1.255 154 F CB -0.726 38.286 39.000 0.021 0.000 0.997 154 F HN -0.091 nan 8.300 nan 0.000 0.479 155 N N 0.127 118.900 118.700 0.121 0.000 2.188 155 N HA -0.165 4.589 4.740 0.023 0.000 0.184 155 N C 1.664 177.096 175.510 -0.129 0.000 1.018 155 N CA 1.192 54.273 53.050 0.053 0.000 0.858 155 N CB -0.185 38.351 38.487 0.082 0.000 0.989 155 N HN 0.376 nan 8.380 nan 0.000 0.426 156 K N 0.933 121.213 120.400 -0.201 0.000 2.148 156 K HA -0.004 4.330 4.320 0.023 0.000 0.204 156 K C 2.011 178.235 176.600 -0.625 0.000 1.050 156 K CA 0.952 57.068 56.287 -0.286 0.000 0.942 156 K CB 0.020 32.426 32.500 -0.156 0.000 0.724 156 K HN 0.128 nan 8.250 nan 0.000 0.446 157 A N -0.126 122.121 122.820 -0.956 0.000 2.021 157 A HA -0.049 4.285 4.320 0.023 0.000 0.216 157 A C 1.224 178.147 177.584 -1.103 0.000 1.163 157 A CA 0.907 52.206 52.037 -1.229 0.000 0.676 157 A CB -0.164 18.066 19.000 -1.285 0.000 0.818 157 A HN 0.299 nan 8.150 nan 0.000 0.453 158 Y N -1.808 118.163 120.300 -0.548 0.000 2.453 158 Y HA 0.370 4.933 4.550 0.023 0.000 0.247 158 Y C 1.770 177.575 175.900 -0.158 0.000 1.124 158 Y CA 0.101 57.973 58.100 -0.380 0.000 1.243 158 Y CB 0.525 38.636 38.460 -0.581 0.000 1.213 158 Y HN 0.377 nan 8.280 nan 0.000 0.523 159 G N 1.608 110.373 108.800 -0.058 0.000 2.166 159 G HA2 -0.328 3.646 3.960 0.023 0.000 0.260 159 G HA3 -0.328 3.646 3.960 0.023 0.000 0.260 159 G C 0.136 175.081 174.900 0.074 0.000 0.986 159 G CA 1.014 46.114 45.100 0.001 0.000 0.683 159 G HN 0.426 nan 8.290 nan 0.000 0.527 160 M N -2.217 117.469 119.600 0.142 0.000 2.755 160 M HA 0.737 5.231 4.480 0.023 0.000 0.273 160 M C 0.187 176.646 176.300 0.265 0.000 1.278 160 M CA -0.396 55.014 55.300 0.183 0.000 0.819 160 M CB 0.971 33.695 32.600 0.207 0.000 1.694 160 M HN 0.515 nan 8.290 nan 0.000 0.460 161 T N -0.966 113.728 114.554 0.233 0.000 2.828 161 T HA 0.597 4.961 4.350 0.023 0.000 0.290 161 T C 1.119 175.962 174.700 0.239 0.000 1.019 161 T CA -0.132 62.096 62.100 0.214 0.000 1.031 161 T CB 1.163 70.106 68.868 0.125 0.000 1.001 161 T HN 0.834 nan 8.240 nan 0.000 0.531 162 A N 0.730 123.488 122.820 -0.103 0.000 1.908 162 A HA 0.031 4.365 4.320 0.023 0.000 0.218 162 A C 1.903 179.427 177.584 -0.101 0.000 1.181 162 A CA 1.149 52.811 52.037 -0.625 0.000 0.627 162 A CB -1.085 17.296 19.000 -1.032 0.000 0.818 162 A HN 0.768 nan 8.150 nan 0.000 0.445 163 F N 0.293 120.154 119.950 -0.147 0.000 2.325 163 F HA 0.011 4.552 4.527 0.024 0.000 0.299 163 F C 2.272 178.075 175.800 0.004 0.000 1.090 163 F CA 0.996 58.906 58.000 -0.150 0.000 1.392 163 F CB -0.455 38.446 39.000 -0.165 0.000 1.053 163 F HN 0.388 nan 8.300 nan 0.000 0.521 164 E N -1.689 118.665 120.200 0.257 0.000 2.152 164 E HA -0.234 4.130 4.350 0.023 0.000 0.192 164 E C 1.829 178.543 176.600 0.190 0.000 0.983 164 E CA 0.813 57.323 56.400 0.184 0.000 0.818 164 E CB -0.336 29.463 29.700 0.165 0.000 0.758 164 E HN 0.454 nan 8.360 nan 0.000 0.467 165 Y N 0.780 121.188 120.300 0.179 0.000 2.242 165 Y HA -0.219 4.345 4.550 0.024 0.000 0.291 165 Y C 1.954 177.930 175.900 0.126 0.000 1.137 165 Y CA 1.726 59.905 58.100 0.132 0.000 1.181 165 Y CB -0.117 38.438 38.460 0.158 0.000 0.989 165 Y HN 0.076 nan 8.280 nan 0.000 0.527 166 H N -0.900 118.228 119.070 0.097 0.000 2.390 166 H HA -0.133 4.437 4.556 0.023 0.000 0.298 166 H C 2.390 177.677 175.328 -0.068 0.000 1.106 166 H CA 1.630 57.710 56.048 0.053 0.000 1.297 166 H CB -0.788 29.025 29.762 0.086 0.000 1.375 166 H HN 0.471 nan 8.280 nan 0.000 0.509 167 G N -0.981 107.843 108.800 0.041 0.000 2.443 167 G HA2 -0.224 3.750 3.960 0.023 0.000 0.219 167 G HA3 -0.224 3.750 3.960 0.023 0.000 0.219 167 G C 1.759 176.595 174.900 -0.107 0.000 1.131 167 G CA 1.327 46.408 45.100 -0.031 0.000 0.775 167 G HN 0.569 nan 8.290 nan 0.000 0.547 168 T N -3.387 111.033 114.554 -0.222 0.000 3.081 168 T HA 0.103 4.467 4.350 0.023 0.000 0.255 168 T C 0.460 174.974 174.700 -0.311 0.000 1.113 168 T CA 0.659 62.598 62.100 -0.269 0.000 1.082 168 T CB 0.391 69.064 68.868 -0.326 0.000 0.939 168 T HN 0.047 nan 8.240 nan 0.000 0.506 169 D N 2.044 122.227 120.400 -0.362 0.000 2.404 169 D HA 0.315 4.969 4.640 0.023 0.000 0.267 169 D C -1.809 174.463 176.300 -0.046 0.000 1.194 169 D CA -2.421 51.457 54.000 -0.202 0.000 0.910 169 D CB 2.023 42.675 40.800 -0.246 0.000 1.090 169 D HN 0.005 nan 8.370 nan 0.000 0.511 170 P HA -0.159 nan 4.420 nan 0.000 0.218 170 P C 1.482 178.799 177.300 0.029 0.000 1.149 170 P CA 0.509 63.609 63.100 0.000 0.000 0.817 170 P CB 0.654 32.352 31.700 -0.004 0.000 0.785 171 R N -0.731 119.803 120.500 0.056 0.000 2.073 171 R HA -0.148 4.206 4.340 0.023 0.000 0.234 171 R C 2.277 178.650 176.300 0.122 0.000 1.134 171 R CA 1.308 57.457 56.100 0.082 0.000 0.952 171 R CB -0.827 29.530 30.300 0.095 0.000 0.850 171 R HN 0.069 nan 8.270 nan 0.000 0.433 172 F N 1.848 121.802 119.950 0.008 0.000 2.259 172 F HA -0.077 4.464 4.527 0.023 0.000 0.298 172 F C 1.847 177.642 175.800 -0.008 0.000 1.088 172 F CA 1.538 59.543 58.000 0.008 0.000 1.358 172 F CB -0.488 38.525 39.000 0.022 0.000 1.040 172 F HN 0.091 nan 8.300 nan 0.000 0.505 173 N N 0.385 118.992 118.700 -0.155 0.000 2.120 173 N HA -0.185 4.569 4.740 0.023 0.000 0.188 173 N C 1.745 177.220 175.510 -0.058 0.000 1.024 173 N CA 1.444 54.392 53.050 -0.170 0.000 0.852 173 N CB -0.054 38.428 38.487 -0.008 0.000 1.003 173 N HN 0.046 nan 8.380 nan 0.000 0.424 174 K N 0.169 120.551 120.400 -0.030 0.000 2.025 174 K HA -0.007 4.327 4.320 0.023 0.000 0.207 174 K C 2.068 178.651 176.600 -0.028 0.000 1.049 174 K CA 0.752 57.036 56.287 -0.006 0.000 0.933 174 K CB -0.973 31.533 32.500 0.009 0.000 0.714 174 K HN 0.099 nan 8.250 nan 0.000 0.438 175 V N 1.371 121.258 119.914 -0.046 0.000 2.332 175 V HA -0.236 3.898 4.120 0.023 0.000 0.248 175 V C 2.184 178.223 176.094 -0.093 0.000 1.055 175 V CA 1.752 64.028 62.300 -0.039 0.000 1.038 175 V CB -0.548 31.293 31.823 0.030 0.000 0.651 175 V HN 0.137 nan 8.190 nan 0.000 0.450 176 F N 1.574 121.282 119.950 -0.403 0.000 2.113 176 F HA -0.141 4.399 4.527 0.023 0.000 0.297 176 F C 2.344 178.069 175.800 -0.124 0.000 1.103 176 F CA 1.836 59.615 58.000 -0.369 0.000 1.248 176 F CB -0.358 38.242 39.000 -0.668 0.000 0.999 176 F HN 0.175 nan 8.300 nan 0.000 0.475 177 N N 0.904 119.568 118.700 -0.060 0.000 2.084 177 N HA -0.207 4.547 4.740 0.023 0.000 0.190 177 N C 2.014 177.456 175.510 -0.115 0.000 1.030 177 N CA 1.321 54.325 53.050 -0.076 0.000 0.849 177 N CB -0.638 37.880 38.487 0.052 0.000 1.012 177 N HN 0.330 nan 8.380 nan 0.000 0.423 178 K N 0.899 121.256 120.400 -0.073 0.000 2.063 178 K HA -0.108 4.226 4.320 0.023 0.000 0.208 178 K C 1.955 178.514 176.600 -0.068 0.000 1.048 178 K CA 1.576 57.834 56.287 -0.048 0.000 0.928 178 K CB -0.485 31.999 32.500 -0.027 0.000 0.713 178 K HN 0.185 nan 8.250 nan 0.000 0.442 179 G N 1.135 109.862 108.800 -0.122 0.000 2.421 179 G HA2 -0.223 3.751 3.960 0.023 0.000 0.216 179 G HA3 -0.223 3.751 3.960 0.023 0.000 0.216 179 G C 1.462 176.292 174.900 -0.116 0.000 1.171 179 G CA 0.656 45.683 45.100 -0.121 0.000 0.775 179 G HN 0.184 nan 8.290 nan 0.000 0.543 180 M N 1.887 121.337 119.600 -0.250 0.000 2.200 180 M HA -0.015 4.478 4.480 0.023 0.000 0.265 180 M C 2.954 179.282 176.300 0.047 0.000 1.066 180 M CA 1.531 56.749 55.300 -0.137 0.000 1.127 180 M CB -1.134 31.248 32.600 -0.363 0.000 1.379 180 M HN 0.424 nan 8.290 nan 0.000 0.420 181 S N 0.112 115.812 115.700 -0.001 0.000 2.355 181 S HA -0.142 4.341 4.470 0.023 0.000 0.222 181 S C 1.588 176.232 174.600 0.073 0.000 1.031 181 S CA 1.434 59.659 58.200 0.042 0.000 0.993 181 S CB -0.572 62.639 63.200 0.019 0.000 0.859 181 S HN 0.305 nan 8.310 nan 0.000 0.453 182 D N 0.752 121.191 120.400 0.065 0.000 2.144 182 D HA -0.099 4.555 4.640 0.023 0.000 0.199 182 D C 1.770 178.172 176.300 0.170 0.000 0.984 182 D CA 1.375 55.423 54.000 0.080 0.000 0.834 182 D CB -0.612 40.215 40.800 0.045 0.000 0.955 182 D HN 0.718 nan 8.370 nan 0.000 0.465 183 H N -0.507 118.616 119.070 0.087 0.000 2.357 183 H HA -0.066 4.504 4.556 0.023 0.000 0.301 183 H C 2.079 177.605 175.328 0.330 0.000 1.082 183 H CA 1.232 57.389 56.048 0.182 0.000 1.342 183 H CB 0.300 30.144 29.762 0.137 0.000 1.389 183 H HN 0.006 nan 8.280 nan 0.000 0.511 184 S N -0.678 115.171 115.700 0.249 0.000 2.356 184 S HA -0.142 4.342 4.470 0.023 0.000 0.223 184 S C 2.154 176.755 174.600 0.003 0.000 1.032 184 S CA 1.692 59.922 58.200 0.049 0.000 1.005 184 S CB -0.386 62.834 63.200 0.033 0.000 0.867 184 S HN 0.510 nan 8.310 nan 0.000 0.449 185 T N 3.111 117.694 114.554 0.047 0.000 2.635 185 T HA -0.094 4.270 4.350 0.023 0.000 0.267 185 T C 1.745 176.482 174.700 0.063 0.000 1.040 185 T CA 1.596 63.715 62.100 0.032 0.000 1.156 185 T CB -0.374 68.516 68.868 0.037 0.000 0.863 185 T HN 0.311 nan 8.240 nan 0.000 0.430 186 I N 1.345 121.989 120.570 0.124 0.000 2.226 186 I HA -0.142 4.041 4.170 0.023 0.000 0.245 186 I C 2.557 178.825 176.117 0.252 0.000 1.100 186 I CA 1.554 62.970 61.300 0.193 0.000 1.374 186 I CB -1.660 36.478 38.000 0.229 0.000 1.057 186 I HN 0.313 nan 8.210 nan 0.000 0.413 187 T N 0.746 115.418 114.554 0.195 0.000 2.770 187 T HA -0.076 4.288 4.350 0.023 0.000 0.263 187 T C 2.022 176.736 174.700 0.024 0.000 1.039 187 T CA 0.933 63.126 62.100 0.156 0.000 1.142 187 T CB -0.062 68.847 68.868 0.067 0.000 0.868 187 T HN 0.060 nan 8.240 nan 0.000 0.435 188 M N 1.525 121.094 119.600 -0.051 0.000 2.082 188 M HA -0.103 4.391 4.480 0.023 0.000 0.258 188 M C 2.281 178.546 176.300 -0.058 0.000 1.071 188 M CA 1.689 56.941 55.300 -0.081 0.000 1.103 188 M CB -1.147 31.388 32.600 -0.107 0.000 1.307 188 M HN 0.187 nan 8.290 nan 0.000 0.409 189 K N -0.024 120.359 120.400 -0.029 0.000 2.127 189 K HA -0.264 4.070 4.320 0.023 0.000 0.208 189 K C 2.024 178.606 176.600 -0.029 0.000 1.047 189 K CA 1.984 58.256 56.287 -0.026 0.000 0.927 189 K CB -0.047 32.459 32.500 0.010 0.000 0.716 189 K HN -0.013 nan 8.250 nan 0.000 0.450 190 K N 0.870 121.258 120.400 -0.020 0.000 2.155 190 K HA 0.035 4.369 4.320 0.023 0.000 0.203 190 K C 1.771 178.315 176.600 -0.094 0.000 1.052 190 K CA 0.977 57.196 56.287 -0.113 0.000 0.948 190 K CB -0.034 32.308 32.500 -0.263 0.000 0.728 190 K HN 0.222 nan 8.250 nan 0.000 0.448 191 I N 0.354 120.899 120.570 -0.043 0.000 2.202 191 I HA -0.242 3.942 4.170 0.023 0.000 0.242 191 I C 1.549 177.712 176.117 0.077 0.000 1.091 191 I CA 1.039 62.350 61.300 0.019 0.000 1.368 191 I CB -0.205 37.814 38.000 0.031 0.000 1.058 191 I HN 0.056 nan 8.210 nan 0.000 0.410 192 L N 0.434 121.658 121.223 0.001 0.000 2.700 192 L HA -0.118 4.236 4.340 0.023 0.000 0.240 192 L C 1.511 178.377 176.870 -0.006 0.000 1.162 192 L CA 0.865 55.695 54.840 -0.016 0.000 0.874 192 L CB -0.487 41.501 42.059 -0.117 0.000 1.001 192 L HN 0.343 nan 8.230 nan 0.000 0.447 193 E N -1.440 118.755 120.200 -0.008 0.000 2.572 193 E HA -0.003 4.361 4.350 0.023 0.000 0.220 193 E C 1.486 178.072 176.600 -0.022 0.000 0.945 193 E CA 0.644 57.025 56.400 -0.031 0.000 1.070 193 E CB 0.740 30.404 29.700 -0.060 0.000 1.090 193 E HN 0.377 nan 8.360 nan 0.000 0.506 194 T N -2.242 112.321 114.554 0.014 0.000 3.041 194 T HA 0.096 4.460 4.350 0.023 0.000 0.276 194 T C -0.402 174.353 174.700 0.092 0.000 0.948 194 T CA -0.449 61.660 62.100 0.016 0.000 0.885 194 T CB 0.105 68.957 68.868 -0.025 0.000 1.175 194 T HN 0.038 nan 8.240 nan 0.000 0.529 195 Y N 2.138 122.438 120.300 -0.000 0.000 2.393 195 Y HA 0.575 5.139 4.550 0.023 0.000 0.341 195 Y C 0.861 176.807 175.900 0.077 0.000 0.988 195 Y CA -0.469 57.639 58.100 0.014 0.000 1.078 195 Y CB 2.443 40.945 38.460 0.069 0.000 1.203 195 Y HN 0.144 nan 8.280 nan 0.000 0.453 196 T N -0.574 113.565 114.554 -0.692 0.000 3.043 196 T HA 0.185 4.549 4.350 0.023 0.000 0.272 196 T C 1.606 175.912 174.700 -0.656 0.000 0.990 196 T CA 0.356 62.194 62.100 -0.436 0.000 0.897 196 T CB 0.076 68.791 68.868 -0.255 0.000 1.111 196 T HN 0.770 nan 8.240 nan 0.000 0.529 197 G N 1.181 109.118 108.800 -1.439 0.000 2.516 197 G HA2 -0.085 3.889 3.960 0.023 0.000 0.221 197 G HA3 -0.085 3.889 3.960 0.023 0.000 0.221 197 G C 0.772 175.340 174.900 -0.553 0.000 1.107 197 G CA 0.307 44.881 45.100 -0.877 0.000 0.747 197 G HN 0.580 nan 8.290 nan 0.000 0.567 198 F N 0.965 120.624 119.950 -0.485 0.000 2.771 198 F HA 0.166 4.707 4.527 0.023 0.000 0.299 198 F C 2.163 177.590 175.800 -0.620 0.000 1.177 198 F CA 0.238 57.880 58.000 -0.597 0.000 1.450 198 F CB -0.023 38.370 39.000 -1.012 0.000 1.114 198 F HN 0.233 nan 8.300 nan 0.000 0.587 199 E N 0.756 120.819 120.200 -0.229 0.000 1.964 199 E HA -0.128 4.235 4.350 0.023 0.000 0.209 199 E C 1.678 178.237 176.600 -0.068 0.000 0.988 199 E CA 0.916 57.268 56.400 -0.080 0.000 0.875 199 E CB -0.759 28.907 29.700 -0.057 0.000 0.813 199 E HN 0.271 nan 8.360 nan 0.000 0.533 200 G N 1.243 110.004 108.800 -0.066 0.000 2.526 200 G HA2 0.277 4.250 3.960 0.023 0.000 0.293 200 G HA3 0.277 4.250 3.960 0.023 0.000 0.293 200 G C -0.691 174.176 174.900 -0.055 0.000 0.882 200 G CA 0.238 45.310 45.100 -0.046 0.000 1.656 200 G HN 0.018 nan 8.290 nan 0.000 0.474 201 L N 1.329 122.525 121.223 -0.046 0.000 2.565 201 L HA 0.334 4.688 4.340 0.023 0.000 0.261 201 L C 0.763 177.620 176.870 -0.022 0.000 0.932 201 L CA -0.748 54.066 54.840 -0.043 0.000 0.878 201 L CB 2.509 44.529 42.059 -0.065 0.000 1.333 201 L HN 0.540 nan 8.230 nan 0.000 0.409 202 K N 1.153 121.543 120.400 -0.017 0.000 2.308 202 K HA 0.191 4.525 4.320 0.023 0.000 0.197 202 K C 0.235 176.830 176.600 -0.008 0.000 1.049 202 K CA 0.702 56.983 56.287 -0.009 0.000 0.991 202 K CB 0.568 33.062 32.500 -0.010 0.000 0.836 202 K HN 0.627 nan 8.250 nan 0.000 0.500 203 S N -0.455 115.239 115.700 -0.010 0.000 2.596 203 S HA 0.611 5.095 4.470 0.023 0.000 0.270 203 S C -1.521 173.078 174.600 -0.002 0.000 1.155 203 S CA -1.104 57.092 58.200 -0.007 0.000 0.827 203 S CB 1.873 65.067 63.200 -0.010 0.000 1.130 203 S HN 0.064 nan 8.310 nan 0.000 0.467 204 L N 0.708 121.936 121.223 0.008 0.000 2.505 204 L HA 0.817 5.171 4.340 0.023 0.000 0.259 204 L C -1.658 175.238 176.870 0.043 0.000 0.952 204 L CA -0.520 54.339 54.840 0.030 0.000 0.840 204 L CB 2.089 44.178 42.059 0.050 0.000 1.358 204 L HN 0.879 nan 8.230 nan 0.000 0.409 205 V N 3.508 123.459 119.914 0.062 0.000 2.409 205 V HA 0.537 4.671 4.120 0.023 0.000 0.291 205 V C -1.329 174.849 176.094 0.141 0.000 1.020 205 V CA -0.301 62.044 62.300 0.076 0.000 0.848 205 V CB 1.717 33.552 31.823 0.020 0.000 0.990 205 V HN 0.880 nan 8.190 nan 0.000 0.430 206 D N 5.652 126.154 120.400 0.171 0.000 2.412 206 D HA 0.334 4.988 4.640 0.023 0.000 0.224 206 D C -0.296 176.103 176.300 0.164 0.000 1.093 206 D CA -0.202 53.923 54.000 0.209 0.000 0.850 206 D CB 1.574 42.514 40.800 0.234 0.000 1.046 206 D HN 0.369 nan 8.370 nan 0.000 0.507 207 V N 4.029 124.005 119.914 0.103 0.000 2.485 207 V HA 0.396 4.530 4.120 0.023 0.000 0.287 207 V C 1.643 177.719 176.094 -0.029 0.000 1.022 207 V CA 0.517 62.855 62.300 0.065 0.000 1.067 207 V CB 0.525 32.318 31.823 -0.050 0.000 0.967 207 V HN 0.937 nan 8.190 nan 0.000 0.479 208 G N 4.185 112.947 108.800 -0.063 0.000 2.198 208 G HA2 -0.185 3.789 3.960 0.023 0.000 0.257 208 G HA3 -0.185 3.789 3.960 0.023 0.000 0.257 208 G C 0.866 175.783 174.900 0.028 0.000 1.042 208 G CA 0.170 45.247 45.100 -0.039 0.000 0.791 208 G HN 1.407 nan 8.290 nan 0.000 0.502 209 G N -0.411 108.421 108.800 0.054 0.000 2.653 209 G HA2 0.404 4.378 3.960 0.023 0.000 0.212 209 G HA3 0.404 4.378 3.960 0.023 0.000 0.212 209 G C 1.979 176.924 174.900 0.075 0.000 1.138 209 G CA 1.458 46.605 45.100 0.079 0.000 0.782 209 G HN 2.091 nan 8.290 nan 0.000 0.535 210 G N 0.095 108.933 108.800 0.063 0.000 2.646 210 G HA2 -0.386 3.588 3.960 0.023 0.000 0.324 210 G HA3 -0.386 3.588 3.960 0.023 0.000 0.324 210 G C 1.431 176.368 174.900 0.062 0.000 1.195 210 G CA 1.896 47.033 45.100 0.062 0.000 0.976 210 G HN 1.381 nan 8.290 nan 0.000 0.546 211 T N -1.109 113.494 114.554 0.081 0.000 3.145 211 T HA 0.518 4.882 4.350 0.023 0.000 0.255 211 T C 1.762 176.608 174.700 0.243 0.000 1.039 211 T CA 1.311 63.478 62.100 0.111 0.000 0.928 211 T CB 0.059 68.995 68.868 0.114 0.000 1.029 211 T HN 2.706 nan 8.240 nan 0.000 0.554 212 G N 0.344 109.241 108.800 0.162 0.000 2.291 212 G HA2 0.003 3.977 3.960 0.023 0.000 0.271 212 G HA3 0.003 3.977 3.960 0.023 0.000 0.271 212 G C 0.628 175.327 174.900 -0.336 0.000 1.099 212 G CA -0.192 44.932 45.100 0.040 0.000 0.919 212 G HN 1.016 nan 8.290 nan 0.000 0.496 213 A N -1.174 121.543 122.820 -0.172 0.000 1.963 213 A HA 0.531 4.865 4.320 0.023 0.000 0.207 213 A C 2.386 179.867 177.584 -0.172 0.000 1.243 213 A CA 1.774 53.688 52.037 -0.205 0.000 0.728 213 A CB -0.043 18.917 19.000 -0.067 0.000 0.895 213 A HN 1.058 nan 8.150 nan 0.000 0.467 214 V N 0.174 120.030 119.914 -0.097 0.000 2.343 214 V HA -0.232 3.902 4.120 0.023 0.000 0.247 214 V C 2.349 178.374 176.094 -0.115 0.000 1.051 214 V CA 2.123 64.380 62.300 -0.071 0.000 1.036 214 V CB -0.643 31.199 31.823 0.031 0.000 0.654 214 V HN 0.563 nan 8.190 nan 0.000 0.451 215 I N 0.649 121.158 120.570 -0.101 0.000 2.406 215 I HA -0.149 4.035 4.170 0.023 0.000 0.249 215 I C 2.259 178.270 176.117 -0.177 0.000 1.122 215 I CA 1.421 62.653 61.300 -0.113 0.000 1.431 215 I CB -0.743 37.230 38.000 -0.045 0.000 1.087 215 I HN 0.352 nan 8.210 nan 0.000 0.424 216 N N -0.572 117.965 118.700 -0.271 0.000 2.205 216 N HA -0.203 4.551 4.740 0.023 0.000 0.186 216 N C 1.500 176.893 175.510 -0.195 0.000 1.015 216 N CA 1.820 54.687 53.050 -0.306 0.000 0.862 216 N CB 0.067 38.159 38.487 -0.657 0.000 0.986 216 N HN 0.352 nan 8.380 nan 0.000 0.429 217 T N 0.819 115.256 114.554 -0.195 0.000 2.904 217 T HA 0.073 4.437 4.350 0.023 0.000 0.267 217 T C 1.915 176.505 174.700 -0.184 0.000 1.059 217 T CA 0.532 62.533 62.100 -0.165 0.000 1.137 217 T CB 0.126 68.897 68.868 -0.161 0.000 0.879 217 T HN 0.239 nan 8.240 nan 0.000 0.467 218 I N 0.432 120.864 120.570 -0.230 0.000 2.333 218 I HA -0.047 4.137 4.170 0.023 0.000 0.246 218 I C 2.293 178.348 176.117 -0.102 0.000 1.106 218 I CA 0.655 61.788 61.300 -0.278 0.000 1.411 218 I CB -0.245 37.488 38.000 -0.444 0.000 1.082 218 I HN 0.035 nan 8.210 nan 0.000 0.420 219 V N -0.080 119.778 119.914 -0.094 0.000 2.759 219 V HA -0.236 3.898 4.120 0.023 0.000 0.256 219 V C 2.506 178.584 176.094 -0.027 0.000 1.080 219 V CA 1.943 64.221 62.300 -0.037 0.000 1.101 219 V CB -0.262 31.534 31.823 -0.045 0.000 0.698 219 V HN 0.397 nan 8.190 nan 0.000 0.477 220 S N -0.675 114.989 115.700 -0.059 0.000 2.406 220 S HA -0.133 4.351 4.470 0.023 0.000 0.224 220 S C 2.021 176.567 174.600 -0.091 0.000 1.030 220 S CA 1.446 59.609 58.200 -0.062 0.000 0.958 220 S CB -0.011 63.148 63.200 -0.068 0.000 0.811 220 S HN 0.571 nan 8.310 nan 0.000 0.489 221 K N -0.313 120.020 120.400 -0.112 0.000 2.062 221 K HA 0.016 4.350 4.320 0.023 0.000 0.205 221 K C -0.565 175.827 176.600 -0.346 0.000 1.051 221 K CA 1.028 57.170 56.287 -0.243 0.000 0.941 221 K CB -0.017 32.320 32.500 -0.271 0.000 0.719 221 K HN 0.375 nan 8.250 nan 0.000 0.440 222 Y N -0.190 120.024 120.300 -0.142 0.000 2.686 222 Y HA 0.310 4.874 4.550 0.023 0.000 0.331 222 Y C -2.204 173.650 175.900 -0.076 0.000 0.996 222 Y CA -2.765 55.276 58.100 -0.098 0.000 1.293 222 Y CB 1.683 40.089 38.460 -0.090 0.000 1.092 222 Y HN 0.074 nan 8.280 nan 0.000 0.524 223 P HA -0.093 nan 4.420 nan 0.000 0.230 223 P C 1.354 178.671 177.300 0.030 0.000 1.158 223 P CA 1.288 64.401 63.100 0.022 0.000 0.769 223 P CB 0.245 31.942 31.700 -0.005 0.000 0.807 224 T N -3.305 111.280 114.554 0.052 0.000 3.023 224 T HA 0.039 4.403 4.350 0.023 0.000 0.266 224 T C 0.909 175.626 174.700 0.028 0.000 1.093 224 T CA 0.343 62.466 62.100 0.038 0.000 1.129 224 T CB -0.648 68.248 68.868 0.047 0.000 0.899 224 T HN 0.010 nan 8.240 nan 0.000 0.491 225 I N 2.114 122.705 120.570 0.035 0.000 2.529 225 I HA 0.169 4.353 4.170 0.023 0.000 0.284 225 I C 0.257 176.376 176.117 0.004 0.000 1.082 225 I CA -0.654 60.653 61.300 0.012 0.000 1.406 225 I CB 0.661 38.661 38.000 0.001 0.000 1.405 225 I HN -0.098 nan 8.210 nan 0.000 0.548 226 K N 5.655 126.055 120.400 -0.001 0.000 2.273 226 K HA 0.277 4.611 4.320 0.023 0.000 0.287 226 K C 0.133 176.729 176.600 -0.007 0.000 1.089 226 K CA -0.195 56.089 56.287 -0.005 0.000 0.909 226 K CB 1.031 33.527 32.500 -0.006 0.000 1.123 226 K HN 0.795 nan 8.250 nan 0.000 0.473 227 G N 2.888 111.681 108.800 -0.013 0.000 2.432 227 G HA2 0.467 4.441 3.960 0.023 0.000 0.257 227 G HA3 0.467 4.441 3.960 0.023 0.000 0.257 227 G C -0.195 174.696 174.900 -0.014 0.000 1.238 227 G CA -0.539 44.551 45.100 -0.017 0.000 0.838 227 G HN 0.550 nan 8.290 nan 0.000 0.547 228 I N 2.100 122.675 120.570 0.009 0.000 2.476 228 I HA 0.164 4.348 4.170 0.023 0.000 0.281 228 I C -0.266 175.905 176.117 0.090 0.000 1.040 228 I CA -0.690 60.629 61.300 0.032 0.000 1.094 228 I CB 1.759 39.771 38.000 0.020 0.000 1.219 228 I HN 0.420 nan 8.210 nan 0.000 0.450 229 N N 6.492 125.260 118.700 0.114 0.000 2.415 229 N HA 0.178 4.932 4.740 0.023 0.000 0.246 229 N C -1.440 174.255 175.510 0.307 0.000 1.078 229 N CA -0.246 52.923 53.050 0.199 0.000 0.942 229 N CB 0.776 39.416 38.487 0.256 0.000 1.140 229 N HN 0.324 nan 8.380 nan 0.000 0.501 230 F N 3.312 123.308 119.950 0.077 0.000 2.415 230 F HA 0.424 4.965 4.527 0.023 0.000 0.348 230 F C -0.215 175.611 175.800 0.044 0.000 1.119 230 F CA -0.711 57.322 58.000 0.055 0.000 1.069 230 F CB 0.760 39.772 39.000 0.020 0.000 1.124 230 F HN 0.486 nan 8.300 nan 0.000 0.472 231 D N 3.351 123.553 120.400 -0.330 0.000 2.725 231 D HA 0.327 4.980 4.640 0.023 0.000 0.292 231 D C -1.302 174.818 176.300 -0.300 0.000 1.288 231 D CA -0.596 53.179 54.000 -0.375 0.000 0.784 231 D CB 1.232 41.964 40.800 -0.114 0.000 1.308 231 D HN 0.456 nan 8.370 nan 0.000 0.429 232 L N 1.862 122.960 121.223 -0.207 0.000 2.529 232 L HA 0.164 4.517 4.340 0.023 0.000 0.287 232 L C -1.065 175.783 176.870 -0.038 0.000 1.241 232 L CA -0.833 53.942 54.840 -0.107 0.000 0.857 232 L CB 0.153 42.178 42.059 -0.057 0.000 1.113 232 L HN 0.494 nan 8.230 nan 0.000 0.504 233 P HA -0.184 nan 4.420 nan 0.000 0.216 233 P C 1.267 178.612 177.300 0.074 0.000 1.153 233 P CA 1.581 64.698 63.100 0.028 0.000 0.844 233 P CB -0.020 31.686 31.700 0.010 0.000 0.787 234 H N -0.797 118.248 119.070 -0.041 0.000 2.543 234 H HA -0.027 4.543 4.556 0.023 0.000 0.286 234 H C 1.614 176.898 175.328 -0.073 0.000 1.037 234 H CA 0.106 56.123 56.048 -0.053 0.000 1.250 234 H CB 0.309 30.037 29.762 -0.056 0.000 1.373 234 H HN -0.023 nan 8.280 nan 0.000 0.580 235 V N 0.214 120.145 119.914 0.029 0.000 2.436 235 V HA -0.153 3.981 4.120 0.023 0.000 0.240 235 V C 2.117 178.180 176.094 -0.053 0.000 1.040 235 V CA 0.584 62.859 62.300 -0.043 0.000 1.052 235 V CB 0.023 31.809 31.823 -0.061 0.000 0.707 235 V HN 0.363 nan 8.190 nan 0.000 0.469 236 I N 0.899 121.438 120.570 -0.051 0.000 2.800 236 I HA -0.217 3.967 4.170 0.023 0.000 0.266 236 I C 2.375 178.423 176.117 -0.116 0.000 1.249 236 I CA 1.263 62.491 61.300 -0.120 0.000 1.458 236 I CB -1.405 36.556 38.000 -0.065 0.000 1.093 236 I HN 0.565 nan 8.210 nan 0.000 0.466 237 E N 1.576 121.750 120.200 -0.043 0.000 2.136 237 E HA -0.293 4.071 4.350 0.023 0.000 0.208 237 E C 0.972 177.542 176.600 -0.050 0.000 1.035 237 E CA 2.409 58.795 56.400 -0.022 0.000 0.838 237 E CB 0.105 29.803 29.700 -0.004 0.000 0.748 237 E HN 0.548 nan 8.360 nan 0.000 0.459 238 D N -0.746 119.612 120.400 -0.069 0.000 2.389 238 D HA 0.206 4.860 4.640 0.023 0.000 0.206 238 D C -0.287 175.961 176.300 -0.087 0.000 1.055 238 D CA 0.527 54.489 54.000 -0.063 0.000 0.856 238 D CB 0.445 41.216 40.800 -0.048 0.000 0.957 238 D HN 0.260 nan 8.370 nan 0.000 0.509 239 A N 2.202 124.929 122.820 -0.154 0.000 2.573 239 A HA 0.056 4.390 4.320 0.023 0.000 0.266 239 A C -1.973 175.518 177.584 -0.156 0.000 1.007 239 A CA -0.396 51.492 52.037 -0.248 0.000 0.878 239 A CB -0.390 18.170 19.000 -0.732 0.000 0.886 239 A HN 0.021 nan 8.150 nan 0.000 0.507 240 P HA 0.187 nan 4.420 nan 0.000 0.272 240 P C 0.030 177.140 177.300 -0.316 0.000 1.254 240 P CA -0.089 62.899 63.100 -0.188 0.000 0.795 240 P CB 0.507 32.058 31.700 -0.249 0.000 1.022 241 S N -0.126 115.291 115.700 -0.471 0.000 2.525 241 S HA 0.681 5.165 4.470 0.023 0.000 0.290 241 S C -1.263 172.934 174.600 -0.672 0.000 1.152 241 S CA -0.499 57.468 58.200 -0.389 0.000 1.072 241 S CB 0.230 63.345 63.200 -0.142 0.000 1.027 241 S HN 0.292 nan 8.310 nan 0.000 0.500 242 Y N 0.350 120.650 120.300 -0.001 0.000 2.470 242 Y HA 0.525 5.089 4.550 0.023 0.000 0.341 242 Y C -2.696 173.180 175.900 -0.040 0.000 1.021 242 Y CA -2.743 55.347 58.100 -0.017 0.000 1.025 242 Y CB 1.166 39.616 38.460 -0.018 0.000 1.266 242 Y HN 0.498 nan 8.280 nan 0.000 0.448 243 P HA 0.133 nan 4.420 nan 0.000 0.264 243 P C 0.746 178.072 177.300 0.044 0.000 1.193 243 P CA 1.184 64.316 63.100 0.053 0.000 0.763 243 P CB 0.927 32.648 31.700 0.036 0.000 0.810 244 G N 1.371 110.183 108.800 0.020 0.000 2.141 244 G HA2 -0.153 3.821 3.960 0.023 0.000 0.242 244 G HA3 -0.153 3.821 3.960 0.023 0.000 0.242 244 G C -0.246 174.649 174.900 -0.007 0.000 0.982 244 G CA -0.096 45.007 45.100 0.005 0.000 0.662 244 G HN 0.571 nan 8.290 nan 0.000 0.527 245 V N 0.300 120.211 119.914 -0.006 0.000 2.577 245 V HA 0.663 4.797 4.120 0.023 0.000 0.303 245 V C -0.093 175.933 176.094 -0.113 0.000 1.042 245 V CA -0.683 61.583 62.300 -0.056 0.000 0.872 245 V CB 1.977 33.783 31.823 -0.029 0.000 0.998 245 V HN 0.417 nan 8.190 nan 0.000 0.423 246 E N 3.783 123.916 120.200 -0.111 0.000 2.165 246 E HA 0.370 4.734 4.350 0.023 0.000 0.266 246 E C -1.085 175.482 176.600 -0.055 0.000 0.889 246 E CA -0.782 55.575 56.400 -0.072 0.000 0.756 246 E CB 0.942 30.636 29.700 -0.011 0.000 1.131 246 E HN 0.757 nan 8.360 nan 0.000 0.411 247 H N 3.240 122.370 119.070 0.100 0.000 2.800 247 H HA 0.233 4.803 4.556 0.023 0.000 0.291 247 H C -0.620 174.776 175.328 0.113 0.000 1.076 247 H CA -0.187 55.930 56.048 0.115 0.000 1.452 247 H CB 1.162 30.989 29.762 0.109 0.000 1.461 247 H HN 0.194 nan 8.280 nan 0.000 0.488 248 V N 3.373 123.459 119.914 0.286 0.000 2.349 248 V HA 0.280 4.414 4.120 0.023 0.000 0.284 248 V C 0.844 177.153 176.094 0.359 0.000 1.014 248 V CA -0.963 61.493 62.300 0.261 0.000 0.826 248 V CB 1.619 33.556 31.823 0.190 0.000 1.009 248 V HN 0.903 nan 8.190 nan 0.000 0.431 249 G N 3.020 111.963 108.800 0.238 0.000 2.546 249 G HA2 0.589 4.563 3.960 0.023 0.000 0.320 249 G HA3 0.589 4.563 3.960 0.023 0.000 0.320 249 G C 0.281 175.309 174.900 0.213 0.000 0.984 249 G CA 0.438 45.643 45.100 0.174 0.000 1.183 249 G HN 0.946 nan 8.290 nan 0.000 0.443 250 G N 0.808 109.804 108.800 0.328 0.000 3.247 250 G HA2 0.582 4.556 3.960 0.023 0.000 0.199 250 G HA3 0.582 4.556 3.960 0.023 0.000 0.199 250 G C -1.575 173.374 174.900 0.082 0.000 1.172 250 G CA -0.370 44.958 45.100 0.380 0.000 0.844 250 G HN 0.480 nan 8.290 nan 0.000 0.619 251 D N -0.490 120.063 120.400 0.256 0.000 2.788 251 D HA 0.222 4.876 4.640 0.023 0.000 0.247 251 D C 1.455 177.884 176.300 0.214 0.000 1.236 251 D CA -0.679 53.380 54.000 0.100 0.000 0.898 251 D CB 1.582 42.475 40.800 0.155 0.000 1.401 251 D HN 0.424 nan 8.370 nan 0.000 0.549 252 M N 1.377 120.952 119.600 -0.042 0.000 2.446 252 M HA 0.024 4.518 4.480 0.023 0.000 0.263 252 M C 0.358 176.590 176.300 -0.114 0.000 1.066 252 M CA 1.167 56.441 55.300 -0.043 0.000 1.087 252 M CB -0.346 31.975 32.600 -0.466 0.000 1.406 252 M HN 0.168 nan 8.290 nan 0.000 0.459 253 F N 0.358 120.352 119.950 0.074 0.000 2.512 253 F HA 0.053 4.594 4.527 0.023 0.000 0.296 253 F C 2.145 178.007 175.800 0.103 0.000 1.110 253 F CA 0.420 58.478 58.000 0.096 0.000 1.446 253 F CB -0.119 38.909 39.000 0.046 0.000 1.092 253 F HN -0.059 nan 8.300 nan 0.000 0.554 254 V N -1.207 118.865 119.914 0.262 0.000 2.341 254 V HA 0.044 4.178 4.120 0.023 0.000 0.240 254 V C 0.549 176.730 176.094 0.145 0.000 1.035 254 V CA 1.187 63.598 62.300 0.184 0.000 1.033 254 V CB -0.155 31.764 31.823 0.159 0.000 0.678 254 V HN 0.288 nan 8.190 nan 0.000 0.464 255 S N -1.259 114.531 115.700 0.150 0.000 2.543 255 S HA 0.629 5.113 4.470 0.023 0.000 0.274 255 S C -1.302 173.322 174.600 0.041 0.000 1.149 255 S CA -0.617 57.633 58.200 0.085 0.000 0.866 255 S CB 1.804 65.030 63.200 0.043 0.000 1.111 255 S HN 0.109 nan 8.310 nan 0.000 0.457 256 I N 2.129 122.671 120.570 -0.046 0.000 2.382 256 I HA 0.395 4.579 4.170 0.023 0.000 0.286 256 I C -2.482 173.444 176.117 -0.320 0.000 1.002 256 I CA -2.496 58.664 61.300 -0.233 0.000 1.135 256 I CB 2.100 40.086 38.000 -0.024 0.000 1.288 256 I HN 0.461 nan 8.210 nan 0.000 0.448 257 P HA -0.153 nan 4.420 nan 0.000 0.255 257 P C -0.713 176.473 177.300 -0.190 0.000 1.141 257 P CA 0.269 63.150 63.100 -0.364 0.000 0.767 257 P CB -0.030 31.398 31.700 -0.454 0.000 0.726 258 K N 3.007 123.334 120.400 -0.121 0.000 2.436 258 K HA 0.571 4.905 4.320 0.023 0.000 0.275 258 K C -0.034 176.532 176.600 -0.058 0.000 0.999 258 K CA -0.179 56.065 56.287 -0.072 0.000 0.980 258 K CB 0.580 33.047 32.500 -0.055 0.000 0.919 258 K HN 0.403 nan 8.250 nan 0.000 0.484 259 A N 1.747 124.544 122.820 -0.038 0.000 2.511 259 A HA 0.263 4.597 4.320 0.023 0.000 0.293 259 A C -0.287 177.288 177.584 -0.016 0.000 1.098 259 A CA -0.527 51.495 52.037 -0.026 0.000 0.643 259 A CB 0.497 19.484 19.000 -0.020 0.000 1.302 259 A HN 0.563 nan 8.150 nan 0.000 0.446 260 D N 0.011 120.404 120.400 -0.013 0.000 2.178 260 D HA 0.320 4.974 4.640 0.023 0.000 0.201 260 D C 0.780 177.077 176.300 -0.004 0.000 0.980 260 D CA 2.440 56.433 54.000 -0.012 0.000 0.842 260 D CB 0.109 40.898 40.800 -0.017 0.000 0.948 260 D HN 1.087 nan 8.370 nan 0.000 0.472 261 A N -1.069 121.754 122.820 0.006 0.000 2.608 261 A HA 0.537 4.871 4.320 0.023 0.000 0.292 261 A C -1.471 176.140 177.584 0.044 0.000 1.066 261 A CA -0.650 51.399 52.037 0.020 0.000 0.676 261 A CB 1.242 20.235 19.000 -0.012 0.000 1.277 261 A HN -0.135 nan 8.150 nan 0.000 0.413 262 V N 1.035 120.986 119.914 0.062 0.000 2.513 262 V HA 0.650 4.784 4.120 0.023 0.000 0.299 262 V C -1.060 175.096 176.094 0.105 0.000 1.035 262 V CA -0.328 62.021 62.300 0.081 0.000 0.889 262 V CB 1.454 33.323 31.823 0.078 0.000 0.988 262 V HN 0.811 nan 8.190 nan 0.000 0.440 263 F N 4.973 124.900 119.950 -0.037 0.000 2.467 263 F HA 0.615 5.156 4.527 0.023 0.000 0.336 263 F C 0.364 176.126 175.800 -0.063 0.000 1.123 263 F CA -0.584 57.377 58.000 -0.065 0.000 0.964 263 F CB 1.759 40.763 39.000 0.008 0.000 1.136 263 F HN 0.473 nan 8.300 nan 0.000 0.447 264 M N 2.718 121.873 119.600 -0.742 0.000 2.808 264 M HA 0.210 4.704 4.480 0.023 0.000 0.184 264 M C -0.162 175.699 176.300 -0.731 0.000 1.446 264 M CA -0.081 54.893 55.300 -0.542 0.000 1.397 264 M CB -0.036 32.374 32.600 -0.317 0.000 0.918 264 M HN 0.443 nan 8.290 nan 0.000 0.515 265 K N 0.639 120.607 120.400 -0.719 0.000 6.595 265 K HA -0.179 4.155 4.320 0.023 0.000 0.817 265 K C -1.653 174.754 176.600 -0.322 0.000 2.257 265 K CA 0.360 56.243 56.287 -0.673 0.000 1.680 265 K CB -0.566 31.378 32.500 -0.925 0.000 2.220 265 K HN 0.566 nan 8.250 nan 0.000 0.275 266 W N 3.317 124.464 121.300 -0.254 0.000 5.538 266 W HA -0.283 4.391 4.660 0.024 0.000 0.377 266 W C 0.440 176.972 176.519 0.021 0.000 1.406 266 W CA 0.603 57.738 57.345 -0.350 0.000 0.940 266 W CB -2.196 27.130 29.460 -0.223 0.000 2.536 266 W HN 0.580 nan 8.180 nan 0.000 1.504 267 I N -2.140 118.605 120.570 0.291 0.000 3.443 267 I HA -0.070 4.114 4.170 0.023 0.000 0.277 267 I C 2.239 178.742 176.117 0.643 0.000 1.169 267 I CA 0.723 62.267 61.300 0.405 0.000 1.419 267 I CB -1.224 36.854 38.000 0.129 0.000 1.331 267 I HN -0.017 nan 8.210 nan 0.000 0.458 268 C N 1.897 121.540 119.300 0.571 0.000 2.413 268 C HA -0.176 4.298 4.460 0.023 0.000 0.277 268 C C 2.855 178.214 174.990 0.616 0.000 1.265 268 C CA 1.410 60.844 59.018 0.693 0.000 1.752 268 C CB -1.478 26.622 27.740 0.600 0.000 1.998 268 C HN 0.605 nan 8.230 nan 0.000 0.489 269 H N -0.044 119.238 119.070 0.352 0.000 2.524 269 H HA 0.001 4.571 4.556 0.023 0.000 0.282 269 H C 1.026 176.415 175.328 0.102 0.000 1.016 269 H CA 1.270 57.449 56.048 0.219 0.000 1.270 269 H CB -0.856 29.022 29.762 0.194 0.000 1.394 269 H HN 0.410 nan 8.280 nan 0.000 0.568 270 D N -0.555 119.915 120.400 0.117 0.000 2.349 270 D HA -0.006 4.648 4.640 0.023 0.000 0.215 270 D C -0.022 175.994 176.300 -0.473 0.000 1.016 270 D CA 0.263 54.025 54.000 -0.397 0.000 0.870 270 D CB 0.348 40.731 40.800 -0.695 0.000 0.917 270 D HN 0.326 nan 8.370 nan 0.000 0.524 271 W N 0.894 122.335 121.300 0.235 0.000 2.882 271 W HA 0.228 4.903 4.660 0.024 0.000 0.345 271 W C 0.545 177.210 176.519 0.242 0.000 1.125 271 W CA -0.920 56.592 57.345 0.279 0.000 1.167 271 W CB 1.115 30.851 29.460 0.460 0.000 1.431 271 W HN -0.321 nan 8.180 nan 0.000 0.543 272 S N 0.186 116.219 115.700 0.555 0.000 2.614 272 S HA 0.040 4.524 4.470 0.023 0.000 0.265 272 S C 0.714 175.435 174.600 0.202 0.000 1.303 272 S CA 0.031 58.418 58.200 0.312 0.000 1.000 272 S CB 1.213 64.581 63.200 0.279 0.000 0.935 272 S HN 0.375 nan 8.310 nan 0.000 0.551 273 D N 0.748 121.192 120.400 0.072 0.000 2.158 273 D HA -0.150 4.504 4.640 0.023 0.000 0.197 273 D C 1.714 177.993 176.300 -0.034 0.000 0.995 273 D CA 1.737 55.737 54.000 -0.000 0.000 0.846 273 D CB -0.255 40.524 40.800 -0.035 0.000 0.941 273 D HN 0.840 nan 8.370 nan 0.000 0.456 274 E N -0.378 119.785 120.200 -0.062 0.000 2.072 274 E HA -0.172 4.192 4.350 0.023 0.000 0.190 274 E C 1.727 178.258 176.600 -0.115 0.000 0.982 274 E CA 0.731 57.051 56.400 -0.133 0.000 0.803 274 E CB 0.090 29.653 29.700 -0.229 0.000 0.755 274 E HN 0.436 nan 8.360 nan 0.000 0.453 275 H N -0.520 118.607 119.070 0.094 0.000 2.462 275 H HA -0.045 4.525 4.556 0.023 0.000 0.292 275 H C 2.304 177.562 175.328 -0.116 0.000 1.049 275 H CA 1.034 57.191 56.048 0.183 0.000 1.334 275 H CB -0.219 29.778 29.762 0.392 0.000 1.404 275 H HN 0.304 nan 8.280 nan 0.000 0.544 276 C N 0.543 119.729 119.300 -0.191 0.000 2.508 276 C HA -0.061 4.413 4.460 0.023 0.000 0.280 276 C C 3.022 177.557 174.990 -0.758 0.000 1.262 276 C CA 0.205 58.714 59.018 -0.848 0.000 1.706 276 C CB -1.061 26.526 27.740 -0.255 0.000 2.078 276 C HN 0.417 nan 8.230 nan 0.000 0.480 277 L N 0.951 122.000 121.223 -0.291 0.000 2.051 277 L HA -0.284 4.070 4.340 0.023 0.000 0.214 277 L C 2.636 179.431 176.870 -0.125 0.000 1.076 277 L CA 1.867 56.615 54.840 -0.154 0.000 0.758 277 L CB -0.659 41.345 42.059 -0.091 0.000 0.890 277 L HN 0.450 nan 8.230 nan 0.000 0.433 278 K N 0.378 120.715 120.400 -0.105 0.000 1.978 278 K HA -0.235 4.099 4.320 0.023 0.000 0.214 278 K C 2.002 178.637 176.600 0.059 0.000 1.049 278 K CA 2.246 58.558 56.287 0.042 0.000 0.939 278 K CB -0.274 32.364 32.500 0.230 0.000 0.721 278 K HN 0.340 nan 8.250 nan 0.000 0.441 279 F N 0.189 120.142 119.950 0.005 0.000 2.699 279 F HA 0.095 4.636 4.527 0.023 0.000 0.298 279 F C 1.284 177.106 175.800 0.037 0.000 1.154 279 F CA 0.413 58.346 58.000 -0.112 0.000 1.457 279 F CB -0.519 38.194 39.000 -0.478 0.000 1.106 279 F HN -0.042 nan 8.300 nan 0.000 0.585 280 L N 0.042 121.364 121.223 0.165 0.000 2.341 280 L HA 0.020 4.374 4.340 0.023 0.000 0.214 280 L C 2.325 179.438 176.870 0.406 0.000 1.115 280 L CA 0.684 55.743 54.840 0.366 0.000 0.820 280 L CB -0.450 41.775 42.059 0.278 0.000 0.944 280 L HN 0.119 nan 8.230 nan 0.000 0.452 281 K N 0.399 120.934 120.400 0.226 0.000 2.031 281 K HA -0.098 4.236 4.320 0.023 0.000 0.205 281 K C 1.713 178.438 176.600 0.208 0.000 1.049 281 K CA 1.381 57.767 56.287 0.166 0.000 0.939 281 K CB -0.194 32.351 32.500 0.075 0.000 0.717 281 K HN 0.373 nan 8.250 nan 0.000 0.438 282 N N 0.515 119.332 118.700 0.194 0.000 2.192 282 N HA -0.185 4.569 4.740 0.023 0.000 0.188 282 N C 1.853 177.473 175.510 0.184 0.000 1.013 282 N CA 1.041 54.191 53.050 0.166 0.000 0.863 282 N CB -0.183 38.398 38.487 0.157 0.000 0.990 282 N HN 0.205 nan 8.380 nan 0.000 0.430 283 C N -0.093 119.370 119.300 0.271 0.000 2.453 283 C HA -0.124 4.350 4.460 0.023 0.000 0.277 283 C C 2.414 177.592 174.990 0.313 0.000 1.262 283 C CA 0.167 59.364 59.018 0.298 0.000 1.718 283 C CB -1.297 26.689 27.740 0.410 0.000 2.031 283 C HN 0.494 nan 8.230 nan 0.000 0.480 284 Y N 1.812 122.236 120.300 0.206 0.000 2.315 284 Y HA -0.193 4.371 4.550 0.023 0.000 0.288 284 Y C 2.264 178.146 175.900 -0.031 0.000 1.154 284 Y CA 1.821 59.890 58.100 -0.051 0.000 1.229 284 Y CB -0.339 37.903 38.460 -0.363 0.000 0.980 284 Y HN 0.477 nan 8.280 nan 0.000 0.540 285 E N -0.519 119.736 120.200 0.091 0.000 2.005 285 E HA -0.145 4.219 4.350 0.023 0.000 0.191 285 E C 2.386 178.969 176.600 -0.029 0.000 0.987 285 E CA 0.808 57.219 56.400 0.018 0.000 0.814 285 E CB -0.455 29.278 29.700 0.056 0.000 0.772 285 E HN 0.411 nan 8.360 nan 0.000 0.453 286 A N 1.114 123.936 122.820 0.003 0.000 2.093 286 A HA -0.157 4.177 4.320 0.023 0.000 0.222 286 A C 1.126 178.692 177.584 -0.030 0.000 1.162 286 A CA 0.960 52.986 52.037 -0.020 0.000 0.655 286 A CB -0.585 18.404 19.000 -0.018 0.000 0.805 286 A HN 0.143 nan 8.150 nan 0.000 0.461 287 L N 0.121 121.321 121.223 -0.039 0.000 2.259 287 L HA 0.259 4.613 4.340 0.023 0.000 0.288 287 L C -2.391 174.389 176.870 -0.151 0.000 1.051 287 L CA -1.816 52.987 54.840 -0.061 0.000 0.824 287 L CB 1.456 43.515 42.059 -0.000 0.000 1.206 287 L HN 0.005 nan 8.230 nan 0.000 0.429 288 P HA 0.040 nan 4.420 nan 0.000 0.225 288 P C 0.021 177.251 177.300 -0.117 0.000 1.768 288 P CA -0.229 62.800 63.100 -0.119 0.000 0.943 288 P CB -0.183 31.474 31.700 -0.072 0.000 1.936 289 D N -0.821 119.475 120.400 -0.172 0.000 2.964 289 D HA -0.315 4.339 4.640 0.023 0.000 0.226 289 D C 0.665 176.939 176.300 -0.043 0.000 1.187 289 D CA 0.764 54.696 54.000 -0.114 0.000 0.787 289 D CB -1.446 39.288 40.800 -0.109 0.000 1.085 289 D HN 0.296 nan 8.370 nan 0.000 0.413 290 N N 1.103 119.779 118.700 -0.041 0.000 2.182 290 N HA -0.023 4.731 4.740 0.023 0.000 0.186 290 N C 1.117 176.625 175.510 -0.003 0.000 1.036 290 N CA 1.934 54.971 53.050 -0.021 0.000 0.850 290 N CB -0.081 38.390 38.487 -0.026 0.000 1.010 290 N HN 0.392 nan 8.380 nan 0.000 0.432 291 G N -0.160 108.642 108.800 0.004 0.000 2.887 291 G HA2 0.538 4.511 3.960 0.023 0.000 0.277 291 G HA3 0.538 4.511 3.960 0.023 0.000 0.277 291 G C -0.810 174.134 174.900 0.073 0.000 1.346 291 G CA -0.499 44.615 45.100 0.024 0.000 1.058 291 G HN 0.468 nan 8.290 nan 0.000 0.535 292 K N -1.993 118.458 120.400 0.084 0.000 2.279 292 K HA 0.752 5.086 4.320 0.023 0.000 0.238 292 K C -1.362 175.300 176.600 0.104 0.000 1.084 292 K CA -0.839 55.535 56.287 0.146 0.000 0.885 292 K CB 1.809 34.384 32.500 0.125 0.000 1.319 292 K HN 0.197 nan 8.250 nan 0.000 0.494 293 V N 1.816 121.775 119.914 0.074 0.000 2.394 293 V HA 0.324 4.458 4.120 0.023 0.000 0.282 293 V C -0.224 175.735 176.094 -0.225 0.000 1.031 293 V CA -0.738 61.530 62.300 -0.054 0.000 0.881 293 V CB 0.937 32.699 31.823 -0.102 0.000 0.982 293 V HN 0.563 nan 8.190 nan 0.000 0.451 294 I N 5.463 125.928 120.570 -0.176 0.000 2.307 294 I HA 0.359 4.543 4.170 0.023 0.000 0.289 294 I C -0.547 175.336 176.117 -0.390 0.000 1.021 294 I CA -0.433 60.734 61.300 -0.222 0.000 1.224 294 I CB 1.511 39.504 38.000 -0.011 0.000 1.376 294 I HN 0.299 nan 8.210 nan 0.000 0.470 295 V N 6.102 125.700 119.914 -0.528 0.000 2.357 295 V HA 0.522 4.656 4.120 0.023 0.000 0.284 295 V C 0.372 176.186 176.094 -0.467 0.000 1.018 295 V CA -0.609 61.361 62.300 -0.550 0.000 0.841 295 V CB 1.509 32.946 31.823 -0.643 0.000 0.991 295 V HN 0.799 nan 8.190 nan 0.000 0.437 296 A N 5.050 127.586 122.820 -0.473 0.000 2.280 296 A HA 0.800 5.134 4.320 0.023 0.000 0.320 296 A C -0.103 177.378 177.584 -0.173 0.000 1.366 296 A CA -0.379 51.461 52.037 -0.328 0.000 0.938 296 A CB 0.265 19.032 19.000 -0.388 0.000 1.157 296 A HN 0.753 nan 8.150 nan 0.000 0.536 297 E N 1.083 121.255 120.200 -0.047 0.000 2.390 297 E HA 0.275 4.639 4.350 0.023 0.000 0.277 297 E C -0.922 175.821 176.600 0.237 0.000 0.939 297 E CA -0.497 55.993 56.400 0.150 0.000 0.769 297 E CB 1.793 31.588 29.700 0.158 0.000 1.251 297 E HN 0.627 nan 8.360 nan 0.000 0.450 298 C N 1.290 120.782 119.300 0.320 0.000 2.705 298 C HA 0.410 4.884 4.460 0.023 0.000 0.382 298 C C 0.731 175.940 174.990 0.366 0.000 1.322 298 C CA -0.118 59.115 59.018 0.359 0.000 2.290 298 C CB -0.434 27.475 27.740 0.281 0.000 2.650 298 C HN 0.441 nan 8.230 nan 0.000 0.695 299 I N 1.382 122.132 120.570 0.300 0.000 2.582 299 I HA 0.398 4.582 4.170 0.023 0.000 0.292 299 I C -0.661 175.533 176.117 0.128 0.000 1.066 299 I CA -0.371 61.046 61.300 0.195 0.000 1.053 299 I CB 1.329 39.240 38.000 -0.149 0.000 1.241 299 I HN 0.411 nan 8.210 nan 0.000 0.421 300 L N 6.522 127.822 121.223 0.128 0.000 2.325 300 L HA 0.508 4.862 4.340 0.023 0.000 0.279 300 L C -2.296 174.605 176.870 0.052 0.000 1.054 300 L CA -1.520 53.373 54.840 0.087 0.000 0.804 300 L CB 1.563 43.668 42.059 0.076 0.000 1.200 300 L HN 0.251 nan 8.230 nan 0.000 0.436 301 P HA 0.136 nan 4.420 nan 0.000 0.276 301 P C 0.510 177.829 177.300 0.031 0.000 1.252 301 P CA -0.576 62.545 63.100 0.035 0.000 0.802 301 P CB 1.066 32.791 31.700 0.042 0.000 1.035 302 V N -0.051 119.878 119.914 0.025 0.000 2.407 302 V HA -0.026 4.108 4.120 0.023 0.000 0.245 302 V C 1.061 177.167 176.094 0.021 0.000 1.041 302 V CA 1.774 64.085 62.300 0.019 0.000 1.040 302 V CB -0.949 30.882 31.823 0.014 0.000 0.671 302 V HN 0.594 nan 8.190 nan 0.000 0.455 303 A N 1.735 124.569 122.820 0.023 0.000 2.301 303 A HA 0.648 4.982 4.320 0.023 0.000 0.312 303 A C -2.236 175.366 177.584 0.029 0.000 1.182 303 A CA -1.326 50.725 52.037 0.024 0.000 0.826 303 A CB 0.134 19.147 19.000 0.022 0.000 1.134 303 A HN 0.288 nan 8.150 nan 0.000 0.501 304 P HA 0.457 nan 4.420 nan 0.000 0.274 304 P C -1.228 176.093 177.300 0.034 0.000 1.237 304 P CA -0.011 63.111 63.100 0.036 0.000 0.793 304 P CB 1.082 32.805 31.700 0.037 0.000 0.977 305 D N -2.280 118.143 120.400 0.037 0.000 2.615 305 D HA 0.233 4.886 4.640 0.023 0.000 0.267 305 D C -0.089 176.231 176.300 0.034 0.000 1.236 305 D CA -0.776 53.243 54.000 0.032 0.000 0.839 305 D CB 0.293 41.112 40.800 0.032 0.000 1.380 305 D HN 0.124 nan 8.370 nan 0.000 0.433 306 S N -0.884 114.833 115.700 0.028 0.000 2.660 306 S HA 0.228 4.712 4.470 0.023 0.000 0.227 306 S C 0.434 175.048 174.600 0.024 0.000 0.948 306 S CA -0.252 57.965 58.200 0.029 0.000 0.948 306 S CB -1.081 62.133 63.200 0.022 0.000 0.779 306 S HN 0.681 nan 8.310 nan 0.000 0.487 307 S N 1.082 116.797 115.700 0.025 0.000 2.585 307 S HA 0.372 4.856 4.470 0.023 0.000 0.273 307 S C 1.188 175.794 174.600 0.010 0.000 1.339 307 S CA -0.867 57.346 58.200 0.022 0.000 1.028 307 S CB 0.295 63.514 63.200 0.032 0.000 0.906 307 S HN 0.371 nan 8.310 nan 0.000 0.528 308 L N 1.436 122.661 121.223 0.002 0.000 2.127 308 L HA -0.138 4.216 4.340 0.023 0.000 0.211 308 L C 2.926 179.782 176.870 -0.024 0.000 1.089 308 L CA 1.624 56.450 54.840 -0.023 0.000 0.757 308 L CB -1.227 40.818 42.059 -0.023 0.000 0.899 308 L HN 0.951 nan 8.230 nan 0.000 0.434 309 A N -0.404 122.426 122.820 0.018 0.000 1.897 309 A HA -0.140 4.194 4.320 0.023 0.000 0.215 309 A C 2.364 179.984 177.584 0.061 0.000 1.181 309 A CA 2.004 54.073 52.037 0.053 0.000 0.620 309 A CB -0.660 18.396 19.000 0.094 0.000 0.821 309 A HN 0.337 nan 8.150 nan 0.000 0.443 310 T N 0.074 114.658 114.554 0.051 0.000 2.737 310 T HA -0.104 4.260 4.350 0.023 0.000 0.265 310 T C 1.918 176.631 174.700 0.023 0.000 1.038 310 T CA 1.625 63.758 62.100 0.055 0.000 1.144 310 T CB -0.206 68.693 68.868 0.052 0.000 0.866 310 T HN 0.505 nan 8.240 nan 0.000 0.434 311 K N 0.601 120.987 120.400 -0.024 0.000 2.113 311 K HA -0.088 4.246 4.320 0.023 0.000 0.208 311 K C 2.528 178.964 176.600 -0.273 0.000 1.047 311 K CA 1.260 57.481 56.287 -0.110 0.000 0.928 311 K CB -0.468 31.937 32.500 -0.158 0.000 0.716 311 K HN 0.391 nan 8.250 nan 0.000 0.446 312 G N 0.605 109.287 108.800 -0.198 0.000 2.422 312 G HA2 -0.195 3.779 3.960 0.023 0.000 0.218 312 G HA3 -0.195 3.779 3.960 0.023 0.000 0.218 312 G C 1.520 176.416 174.900 -0.007 0.000 1.146 312 G CA 0.687 45.693 45.100 -0.156 0.000 0.769 312 G HN 0.109 nan 8.290 nan 0.000 0.547 313 V N 0.483 120.429 119.914 0.053 0.000 2.346 313 V HA -0.111 4.023 4.120 0.023 0.000 0.244 313 V C 2.982 179.147 176.094 0.118 0.000 1.037 313 V CA 1.237 63.604 62.300 0.112 0.000 1.029 313 V CB -0.257 31.648 31.823 0.138 0.000 0.663 313 V HN 0.230 nan 8.190 nan 0.000 0.454 314 V N -0.182 119.797 119.914 0.109 0.000 2.407 314 V HA -0.287 3.847 4.120 0.023 0.000 0.248 314 V C 2.280 178.496 176.094 0.204 0.000 1.055 314 V CA 2.077 64.459 62.300 0.136 0.000 1.049 314 V CB -1.037 30.862 31.823 0.126 0.000 0.662 314 V HN 0.656 nan 8.190 nan 0.000 0.455 315 H N -0.535 118.566 119.070 0.051 0.000 2.353 315 H HA -0.100 4.470 4.556 0.023 0.000 0.300 315 H C 2.363 177.729 175.328 0.064 0.000 1.090 315 H CA 1.695 57.773 56.048 0.050 0.000 1.327 315 H CB 0.067 29.850 29.762 0.035 0.000 1.383 315 H HN 0.366 nan 8.280 nan 0.000 0.508 316 I N 0.346 121.031 120.570 0.191 0.000 2.353 316 I HA -0.209 3.975 4.170 0.023 0.000 0.248 316 I C 2.218 178.389 176.117 0.089 0.000 1.119 316 I CA 1.115 62.486 61.300 0.118 0.000 1.417 316 I CB -0.115 37.945 38.000 0.100 0.000 1.078 316 I HN 0.220 nan 8.210 nan 0.000 0.421 317 D N 0.739 121.199 120.400 0.101 0.000 2.097 317 D HA -0.157 4.497 4.640 0.023 0.000 0.195 317 D C 2.212 178.541 176.300 0.048 0.000 0.989 317 D CA 1.147 55.188 54.000 0.068 0.000 0.827 317 D CB 0.135 40.981 40.800 0.076 0.000 0.966 317 D HN 0.020 nan 8.370 nan 0.000 0.456 318 V N 0.396 120.361 119.914 0.086 0.000 2.358 318 V HA -0.188 3.946 4.120 0.023 0.000 0.246 318 V C 2.485 178.651 176.094 0.119 0.000 1.047 318 V CA 1.244 63.613 62.300 0.116 0.000 1.035 318 V CB -0.343 31.558 31.823 0.130 0.000 0.658 318 V HN 0.327 nan 8.190 nan 0.000 0.452 319 I N -0.952 119.683 120.570 0.107 0.000 2.226 319 I HA -0.333 3.851 4.170 0.023 0.000 0.245 319 I C 2.468 178.455 176.117 -0.217 0.000 1.100 319 I CA 1.962 63.253 61.300 -0.015 0.000 1.374 319 I CB -0.272 37.780 38.000 0.087 0.000 1.057 319 I HN 0.337 nan 8.210 nan 0.000 0.413 320 M N 0.359 119.887 119.600 -0.120 0.000 2.149 320 M HA -0.218 4.276 4.480 0.023 0.000 0.261 320 M C 2.038 178.217 176.300 -0.201 0.000 1.064 320 M CA 1.643 56.842 55.300 -0.168 0.000 1.102 320 M CB -0.252 32.261 32.600 -0.146 0.000 1.369 320 M HN 0.162 nan 8.290 nan 0.000 0.408 321 L N -0.252 120.878 121.223 -0.154 0.000 2.349 321 L HA -0.106 4.248 4.340 0.023 0.000 0.220 321 L C 1.909 178.637 176.870 -0.236 0.000 1.130 321 L CA 1.984 56.744 54.840 -0.133 0.000 0.791 321 L CB -1.104 40.929 42.059 -0.042 0.000 0.918 321 L HN 0.455 nan 8.230 nan 0.000 0.444 322 A N -2.186 120.338 122.820 -0.493 0.000 2.063 322 A HA -0.014 4.320 4.320 0.023 0.000 0.211 322 A C 1.673 178.922 177.584 -0.559 0.000 1.177 322 A CA 0.298 51.900 52.037 -0.725 0.000 0.759 322 A CB -0.171 17.951 19.000 -1.462 0.000 0.857 322 A HN 0.611 nan 8.150 nan 0.000 0.468 323 H N -1.632 117.307 119.070 -0.218 0.000 2.657 323 H HA 0.148 4.718 4.556 0.024 0.000 0.262 323 H C 0.099 175.285 175.328 -0.237 0.000 0.965 323 H CA 0.010 55.932 56.048 -0.209 0.000 1.184 323 H CB -0.128 29.446 29.762 -0.314 0.000 1.443 323 H HN 0.375 nan 8.280 nan 0.000 0.462 324 N N 2.593 121.207 118.700 -0.144 0.000 2.430 324 N HA 0.162 4.916 4.740 0.023 0.000 0.292 324 N C -2.816 172.601 175.510 -0.155 0.000 1.051 324 N CA -1.688 51.240 53.050 -0.202 0.000 0.917 324 N CB 2.145 40.463 38.487 -0.281 0.000 1.164 324 N HN -0.102 nan 8.380 nan 0.000 0.484 325 P HA 0.202 nan 4.420 nan 0.000 0.276 325 P C 0.556 177.826 177.300 -0.050 0.000 1.243 325 P CA 0.108 63.168 63.100 -0.068 0.000 0.768 325 P CB 0.549 32.224 31.700 -0.042 0.000 0.856 326 G N 2.888 111.685 108.800 -0.006 0.000 2.230 326 G HA2 -0.255 3.719 3.960 0.023 0.000 0.270 326 G HA3 -0.255 3.719 3.960 0.023 0.000 0.270 326 G C 0.729 175.640 174.900 0.020 0.000 0.987 326 G CA 0.268 45.390 45.100 0.037 0.000 0.664 326 G HN 0.872 nan 8.290 nan 0.000 0.539 327 G N -0.203 108.556 108.800 -0.067 0.000 2.483 327 G HA2 0.621 4.595 3.960 0.023 0.000 0.248 327 G HA3 0.621 4.595 3.960 0.023 0.000 0.248 327 G C -0.005 174.863 174.900 -0.053 0.000 1.248 327 G CA 0.470 45.511 45.100 -0.098 0.000 0.838 327 G HN 1.304 nan 8.290 nan 0.000 0.566 328 K N 0.334 120.734 120.400 -0.001 0.000 2.625 328 K HA 0.328 4.662 4.320 0.023 0.000 0.284 328 K C -1.349 175.303 176.600 0.087 0.000 0.984 328 K CA -1.015 55.286 56.287 0.024 0.000 0.865 328 K CB 1.395 33.905 32.500 0.016 0.000 1.468 328 K HN 0.302 nan 8.250 nan 0.000 0.407 329 E N 1.765 122.020 120.200 0.092 0.000 2.343 329 E HA 0.327 4.691 4.350 0.023 0.000 0.269 329 E C -0.577 176.047 176.600 0.039 0.000 1.047 329 E CA -0.433 56.049 56.400 0.137 0.000 0.874 329 E CB 1.238 31.028 29.700 0.149 0.000 1.033 329 E HN 0.419 nan 8.360 nan 0.000 0.409 330 R N 0.253 120.741 120.500 -0.020 0.000 2.803 330 R HA 0.384 4.737 4.340 0.023 0.000 0.276 330 R C 0.325 176.573 176.300 -0.086 0.000 0.978 330 R CA -0.676 55.289 56.100 -0.225 0.000 0.939 330 R CB 1.783 31.638 30.300 -0.741 0.000 1.179 330 R HN 0.395 nan 8.270 nan 0.000 0.472 331 T N -0.215 114.289 114.554 -0.084 0.000 2.726 331 T HA -0.040 4.324 4.350 0.023 0.000 0.294 331 T C 1.175 175.940 174.700 0.109 0.000 1.013 331 T CA 0.039 62.151 62.100 0.020 0.000 0.996 331 T CB 1.086 69.949 68.868 -0.008 0.000 1.016 331 T HN 0.556 nan 8.240 nan 0.000 0.529 332 Q N 0.511 120.405 119.800 0.157 0.000 2.123 332 Q HA -0.084 4.270 4.340 0.023 0.000 0.199 332 Q C 2.194 178.267 176.000 0.122 0.000 0.966 332 Q CA 1.426 57.385 55.803 0.260 0.000 0.845 332 Q CB -0.111 28.743 28.738 0.194 0.000 0.907 332 Q HN 0.667 nan 8.270 nan 0.000 0.439 333 K N 0.626 121.037 120.400 0.018 0.000 2.057 333 K HA -0.193 4.141 4.320 0.023 0.000 0.207 333 K C 1.642 178.161 176.600 -0.135 0.000 1.049 333 K CA 1.654 57.898 56.287 -0.072 0.000 0.931 333 K CB 0.019 32.488 32.500 -0.051 0.000 0.714 333 K HN 0.217 nan 8.250 nan 0.000 0.440 334 E N -0.489 119.635 120.200 -0.126 0.000 2.171 334 E HA -0.198 4.166 4.350 0.023 0.000 0.197 334 E C 1.759 178.217 176.600 -0.237 0.000 0.997 334 E CA 1.403 57.682 56.400 -0.202 0.000 0.810 334 E CB -0.138 29.404 29.700 -0.264 0.000 0.738 334 E HN 0.373 nan 8.360 nan 0.000 0.467 335 F N 0.881 120.754 119.950 -0.129 0.000 2.234 335 F HA -0.062 4.479 4.527 0.023 0.000 0.296 335 F C 2.263 177.742 175.800 -0.535 0.000 1.089 335 F CA 0.577 58.509 58.000 -0.115 0.000 1.343 335 F CB 0.184 39.245 39.000 0.102 0.000 1.040 335 F HN -0.033 nan 8.300 nan 0.000 0.498 336 E N 0.474 120.267 120.200 -0.679 0.000 2.007 336 E HA -0.229 4.135 4.350 0.023 0.000 0.194 336 E C 1.708 177.979 176.600 -0.548 0.000 0.999 336 E CA 1.627 57.399 56.400 -1.047 0.000 0.811 336 E CB -0.226 29.070 29.700 -0.674 0.000 0.762 336 E HN 0.269 nan 8.360 nan 0.000 0.450 337 D N 0.759 120.959 120.400 -0.335 0.000 2.158 337 D HA -0.178 4.476 4.640 0.023 0.000 0.197 337 D C 1.973 178.142 176.300 -0.218 0.000 0.995 337 D CA 0.833 54.697 54.000 -0.227 0.000 0.846 337 D CB -0.246 40.456 40.800 -0.164 0.000 0.941 337 D HN 0.133 nan 8.370 nan 0.000 0.456 338 L N 0.177 121.269 121.223 -0.218 0.000 2.141 338 L HA -0.137 4.217 4.340 0.023 0.000 0.209 338 L C 2.341 179.054 176.870 -0.261 0.000 1.094 338 L CA 0.893 55.639 54.840 -0.157 0.000 0.763 338 L CB -0.290 41.755 42.059 -0.024 0.000 0.908 338 L HN 0.018 nan 8.230 nan 0.000 0.437 339 A N 0.509 122.977 122.820 -0.586 0.000 1.825 339 A HA -0.210 4.124 4.320 0.023 0.000 0.214 339 A C 2.228 179.700 177.584 -0.186 0.000 1.206 339 A CA 1.534 53.075 52.037 -0.827 0.000 0.609 339 A CB -0.430 17.778 19.000 -1.321 0.000 0.851 339 A HN 0.261 nan 8.150 nan 0.000 0.445 340 K N -0.531 119.745 120.400 -0.207 0.000 2.127 340 K HA -0.166 4.168 4.320 0.023 0.000 0.208 340 K C 1.958 178.495 176.600 -0.106 0.000 1.047 340 K CA 1.218 57.439 56.287 -0.110 0.000 0.927 340 K CB -0.560 31.866 32.500 -0.123 0.000 0.716 340 K HN 0.506 nan 8.250 nan 0.000 0.450 341 G N 1.054 109.784 108.800 -0.115 0.000 2.450 341 G HA2 -0.239 3.735 3.960 0.023 0.000 0.220 341 G HA3 -0.239 3.735 3.960 0.023 0.000 0.220 341 G C 1.362 176.210 174.900 -0.087 0.000 1.130 341 G CA 0.896 45.938 45.100 -0.097 0.000 0.760 341 G HN 0.390 nan 8.290 nan 0.000 0.557 342 A N -0.234 122.566 122.820 -0.033 0.000 2.345 342 A HA 0.542 4.876 4.320 0.023 0.000 0.225 342 A C 1.468 178.823 177.584 -0.380 0.000 1.243 342 A CA 0.910 52.915 52.037 -0.053 0.000 0.875 342 A CB -0.426 18.737 19.000 0.272 0.000 0.929 342 A HN 1.613 nan 8.150 nan 0.000 0.502 343 G N -1.133 107.488 108.800 -0.298 0.000 2.438 343 G HA2 -0.247 3.727 3.960 0.023 0.000 0.272 343 G HA3 -0.247 3.727 3.960 0.023 0.000 0.272 343 G C 0.023 174.535 174.900 -0.646 0.000 0.991 343 G CA 0.336 45.163 45.100 -0.454 0.000 1.348 343 G HN 0.366 nan 8.290 nan 0.000 0.483 344 F N -0.522 119.320 119.950 -0.180 0.000 2.619 344 F HA 0.234 4.775 4.527 0.023 0.000 0.281 344 F C 2.089 177.941 175.800 0.087 0.000 1.065 344 F CA 1.019 59.045 58.000 0.043 0.000 1.304 344 F CB 0.047 39.078 39.000 0.051 0.000 1.059 344 F HN 0.574 nan 8.300 nan 0.000 0.648 345 Q N -0.145 119.766 119.800 0.184 0.000 2.374 345 Q HA -0.221 4.132 4.340 0.023 0.000 0.154 345 Q C 0.709 176.820 176.000 0.185 0.000 1.717 345 Q CA 1.087 56.972 55.803 0.137 0.000 1.142 345 Q CB -1.683 27.120 28.738 0.109 0.000 1.099 345 Q HN 0.445 nan 8.270 nan 0.000 0.912 346 G N 0.429 109.390 108.800 0.267 0.000 2.404 346 G HA2 0.466 4.440 3.960 0.023 0.000 0.316 346 G HA3 0.466 4.440 3.960 0.023 0.000 0.316 346 G C -1.325 173.760 174.900 0.309 0.000 1.074 346 G CA -0.049 45.202 45.100 0.252 0.000 0.989 346 G HN 0.166 nan 8.290 nan 0.000 0.430 347 F N 2.913 122.917 119.950 0.091 0.000 2.579 347 F HA 0.644 5.184 4.527 0.023 0.000 0.325 347 F C -0.601 175.224 175.800 0.042 0.000 1.162 347 F CA -1.082 56.975 58.000 0.096 0.000 0.946 347 F CB 1.680 40.695 39.000 0.025 0.000 1.211 347 F HN 0.260 nan 8.300 nan 0.000 0.447 348 K N 5.307 125.221 120.400 -0.811 0.000 2.501 348 K HA 0.587 4.921 4.320 0.023 0.000 0.252 348 K C -1.673 174.373 176.600 -0.922 0.000 0.934 348 K CA -1.146 54.663 56.287 -0.797 0.000 0.797 348 K CB 2.953 35.141 32.500 -0.520 0.000 1.270 348 K HN 0.325 nan 8.250 nan 0.000 0.431 349 V N 4.737 124.243 119.914 -0.679 0.000 2.320 349 V HA 0.085 4.219 4.120 0.023 0.000 0.265 349 V C 0.709 176.682 176.094 -0.202 0.000 1.048 349 V CA -0.378 61.690 62.300 -0.387 0.000 0.865 349 V CB 0.233 31.948 31.823 -0.180 0.000 1.043 349 V HN 0.744 nan 8.190 nan 0.000 0.474 350 H N 1.839 120.872 119.070 -0.062 0.000 2.775 350 H HA 0.168 4.738 4.556 0.023 0.000 0.312 350 H C 0.987 176.350 175.328 0.057 0.000 1.033 350 H CA 1.048 57.111 56.048 0.026 0.000 1.267 350 H CB 0.336 30.175 29.762 0.129 0.000 1.555 350 H HN 0.625 nan 8.280 nan 0.000 0.725 351 C N 0.256 119.691 119.300 0.223 0.000 3.363 351 C HA 0.436 4.910 4.460 0.023 0.000 0.364 351 C C -0.759 174.231 174.990 -0.001 0.000 2.827 351 C CA -0.216 58.866 59.018 0.107 0.000 1.656 351 C CB 0.732 28.519 27.740 0.077 0.000 3.126 351 C HN 0.957 nan 8.230 nan 0.000 0.506 352 N N 0.247 118.860 118.700 -0.145 0.000 2.503 352 N HA 0.546 5.300 4.740 0.023 0.000 0.287 352 N C -1.235 174.122 175.510 -0.255 0.000 1.096 352 N CA -0.219 52.614 53.050 -0.361 0.000 0.936 352 N CB 1.272 39.161 38.487 -0.996 0.000 1.570 352 N HN 0.791 nan 8.380 nan 0.000 0.504 353 A N 2.443 125.155 122.820 -0.180 0.000 2.280 353 A HA 0.596 4.930 4.320 0.023 0.000 0.320 353 A C -0.128 177.439 177.584 -0.028 0.000 1.366 353 A CA -0.704 51.221 52.037 -0.188 0.000 0.938 353 A CB -0.714 18.208 19.000 -0.130 0.000 1.157 353 A HN 0.849 nan 8.150 nan 0.000 0.536 354 F N 2.167 122.104 119.950 -0.022 0.000 2.667 354 F HA -0.314 4.227 4.527 0.023 0.000 0.250 354 F C 1.170 176.986 175.800 0.027 0.000 1.029 354 F CA 0.886 58.897 58.000 0.020 0.000 0.944 354 F CB -1.298 37.760 39.000 0.097 0.000 0.994 354 F HN 1.002 nan 8.300 nan 0.000 0.842 355 N N -1.088 117.680 118.700 0.114 0.000 2.900 355 N HA -0.205 4.549 4.740 0.023 0.000 0.240 355 N C -0.183 175.399 175.510 0.120 0.000 0.953 355 N CA 1.178 54.279 53.050 0.085 0.000 0.950 355 N CB -0.354 38.229 38.487 0.160 0.000 1.102 355 N HN 0.391 nan 8.380 nan 0.000 0.593 356 T N 1.010 115.618 114.554 0.089 0.000 2.756 356 T HA 0.353 4.717 4.350 0.023 0.000 0.290 356 T C -0.721 173.973 174.700 -0.011 0.000 0.985 356 T CA -0.205 61.998 62.100 0.173 0.000 0.955 356 T CB 0.417 69.441 68.868 0.260 0.000 0.930 356 T HN 0.074 nan 8.240 nan 0.000 0.451 357 Y N 3.083 123.408 120.300 0.040 0.000 2.316 357 Y HA 0.389 4.952 4.550 0.023 0.000 0.331 357 Y C 0.682 176.506 175.900 -0.126 0.000 1.083 357 Y CA -1.205 56.877 58.100 -0.030 0.000 1.206 357 Y CB 0.562 39.003 38.460 -0.031 0.000 1.195 357 Y HN 0.382 nan 8.280 nan 0.000 0.497 358 I N 5.858 126.413 120.570 -0.024 0.000 2.385 358 I HA 0.388 4.571 4.170 0.023 0.000 0.294 358 I C -0.075 175.929 176.117 -0.187 0.000 0.988 358 I CA -0.479 60.706 61.300 -0.192 0.000 1.265 358 I CB 0.728 38.513 38.000 -0.358 0.000 1.388 358 I HN 0.704 nan 8.210 nan 0.000 0.480 359 M N 4.909 124.322 119.600 -0.312 0.000 2.520 359 M HA 0.683 5.177 4.480 0.023 0.000 0.280 359 M C -1.662 174.380 176.300 -0.430 0.000 1.232 359 M CA -0.890 54.191 55.300 -0.364 0.000 0.892 359 M CB 2.939 35.332 32.600 -0.345 0.000 1.728 359 M HN 0.326 nan 8.290 nan 0.000 0.475 360 E N 1.313 121.291 120.200 -0.369 0.000 2.312 360 E HA 0.793 5.157 4.350 0.023 0.000 0.267 360 E C -1.736 174.895 176.600 0.052 0.000 0.894 360 E CA -0.564 55.676 56.400 -0.267 0.000 0.773 360 E CB 1.523 31.175 29.700 -0.081 0.000 1.241 360 E HN 0.475 nan 8.360 nan 0.000 0.432 361 F N 1.605 121.472 119.950 -0.138 0.000 2.469 361 F HA 0.629 5.170 4.527 0.023 0.000 0.332 361 F C 0.352 176.212 175.800 0.101 0.000 1.103 361 F CA -1.685 56.187 58.000 -0.213 0.000 0.979 361 F CB 0.921 39.353 39.000 -0.947 0.000 1.137 361 F HN 0.599 nan 8.300 nan 0.000 0.463 362 L N 0.000 121.561 121.223 0.563 0.000 2.949 362 L HA 0.000 4.354 4.340 0.023 0.000 0.249 362 L CA 0.000 55.161 54.840 0.535 0.000 0.813 362 L CB 0.000 42.486 42.059 0.711 0.000 0.961 362 L HN 0.000 nan 8.230 nan 0.000 0.502