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 2jj2_1_B DATA FIRST_RESID 23 DATA SEQUENCE VDLEETGRVL SIGDGIARVH GLRNVQAEEM VEFSSGLKGM SLNLEPDNVG DATA SEQUENCE VVVFGNDKLI KEGDIVKRTG AIVDVPVGEE LLGRVVDALG NAIDGKGPIG DATA SEQUENCE SKARRRVGLK APGIIPRISV REPMQTGIKA VDSLVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTSIAIDT IINQKRFNDG TDEKKKLYCI YVAIGQKRST VAQLVKRLTD DATA SEQUENCE ADAMKYTIVV SATASDAAPL QYLAPYSGCS MGEYFRDNGK HALIIYDDLS DATA SEQUENCE KQAVAYRQMS LLLRRPPGRE AYPGDVFYLH SRLLERAAKM NDAFGGGSLT DATA SEQUENCE ALPVIETQAG DVSAYIPTNV ISITDGQIFL ETELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQTRA MKQVAGTMKL ELAQYREVAX XXXXXXXLDA ATQQLLSRGV DATA SEQUENCE RLTELLKQGQ YSPMAIEEQV AVIYAGVRGY LDKLEPSKIT KFENAFLSHV DATA SEQUENCE ISQHQALLSK IRTDGKISEE SDAKLKEIVT NFLAGFE 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 23 V HA 0.000 nan 4.120 nan 0.000 0.244 23 V C 0.000 176.105 176.094 0.019 0.000 1.182 23 V CA 0.000 62.310 62.300 0.016 0.000 1.235 23 V CB 0.000 31.830 31.823 0.012 0.000 1.184 24 D N 1.192 121.600 120.400 0.013 0.000 2.348 24 D HA 0.472 5.109 4.640 -0.006 0.000 0.253 24 D C 0.568 176.875 176.300 0.010 0.000 1.161 24 D CA 0.214 54.219 54.000 0.009 0.000 0.876 24 D CB 1.297 42.098 40.800 0.002 0.000 1.160 24 D HN 0.468 nan 8.370 nan 0.000 0.459 25 L N 3.058 124.286 121.223 0.008 0.000 2.818 25 L HA 0.218 4.555 4.340 -0.006 0.000 0.243 25 L C 1.418 178.270 176.870 -0.029 0.000 1.185 25 L CA 0.036 54.875 54.840 -0.001 0.000 0.988 25 L CB 0.240 42.306 42.059 0.012 0.000 1.292 25 L HN 0.428 nan 8.230 nan 0.000 0.519 26 E N -0.211 119.975 120.200 -0.022 0.000 2.244 26 E HA 0.004 4.351 4.350 -0.006 0.000 0.196 26 E C 1.013 177.596 176.600 -0.029 0.000 0.939 26 E CA 0.317 56.700 56.400 -0.028 0.000 0.884 26 E CB 0.577 30.265 29.700 -0.020 0.000 0.850 26 E HN 0.281 nan 8.360 nan 0.000 0.481 27 E N 0.290 120.476 120.200 -0.024 0.000 2.498 27 E HA 0.159 4.506 4.350 -0.006 0.000 0.203 27 E C -0.155 176.425 176.600 -0.033 0.000 1.013 27 E CA 0.318 56.701 56.400 -0.027 0.000 0.927 27 E CB 1.510 31.198 29.700 -0.020 0.000 1.012 27 E HN -0.039 nan 8.360 nan 0.000 0.482 28 T N -0.127 114.410 114.554 -0.029 0.000 2.916 28 T HA 0.656 5.003 4.350 -0.006 0.000 0.305 28 T C -0.272 174.417 174.700 -0.018 0.000 1.119 28 T CA -0.606 61.479 62.100 -0.026 0.000 1.008 28 T CB 2.363 71.225 68.868 -0.009 0.000 1.129 28 T HN 0.128 nan 8.240 nan 0.000 0.480 29 G N 1.052 109.843 108.800 -0.014 0.000 2.725 29 G HA2 0.791 4.747 3.960 -0.006 0.000 0.288 29 G HA3 0.791 4.747 3.960 -0.006 0.000 0.288 29 G C -1.609 173.323 174.900 0.053 0.000 1.399 29 G CA -1.094 44.019 45.100 0.021 0.000 0.859 29 G HN 0.832 nan 8.290 nan 0.000 0.479 30 R N -0.761 119.800 120.500 0.101 0.000 2.621 30 R HA 0.667 5.003 4.340 -0.006 0.000 0.292 30 R C -1.189 175.179 176.300 0.113 0.000 0.969 30 R CA -0.786 55.373 56.100 0.098 0.000 0.887 30 R CB 2.074 32.421 30.300 0.078 0.000 1.180 30 R HN 0.269 nan 8.270 nan 0.000 0.450 31 V N 5.028 125.012 119.914 0.116 0.000 2.485 31 V HA -0.023 4.094 4.120 -0.006 0.000 0.287 31 V C 1.392 177.530 176.094 0.074 0.000 1.022 31 V CA 0.187 62.557 62.300 0.117 0.000 1.067 31 V CB 0.483 32.382 31.823 0.128 0.000 0.967 31 V HN 0.768 nan 8.190 nan 0.000 0.479 32 L N 3.965 125.231 121.223 0.071 0.000 2.102 32 L HA 0.102 4.438 4.340 -0.006 0.000 0.202 32 L C 0.957 177.843 176.870 0.026 0.000 1.076 32 L CA 1.035 55.902 54.840 0.045 0.000 0.761 32 L CB 0.079 42.172 42.059 0.057 0.000 0.921 32 L HN 0.856 nan 8.230 nan 0.000 0.444 33 S N -1.301 114.415 115.700 0.027 0.000 2.565 33 S HA 0.639 5.106 4.470 -0.006 0.000 0.269 33 S C -1.085 173.515 174.600 0.001 0.000 1.153 33 S CA -0.797 57.409 58.200 0.009 0.000 0.835 33 S CB 2.625 65.828 63.200 0.004 0.000 1.122 33 S HN 0.007 nan 8.310 nan 0.000 0.462 34 I N 0.412 120.972 120.570 -0.018 0.000 2.680 34 I HA 0.792 4.959 4.170 -0.006 0.000 0.291 34 I C 0.155 176.246 176.117 -0.043 0.000 1.244 34 I CA 0.390 61.666 61.300 -0.040 0.000 1.042 34 I CB 1.499 39.459 38.000 -0.068 0.000 1.277 34 I HN 1.128 nan 8.210 nan 0.000 0.423 35 G N 4.749 113.521 108.800 -0.047 0.000 4.109 35 G HA2 0.038 3.995 3.960 -0.006 0.000 0.191 35 G HA3 0.038 3.995 3.960 -0.006 0.000 0.191 35 G C -0.073 174.800 174.900 -0.044 0.000 1.163 35 G CA -0.070 45.005 45.100 -0.042 0.000 0.953 35 G HN 0.497 nan 8.290 nan 0.000 0.502 36 D N 1.579 121.951 120.400 -0.047 0.000 2.895 36 D HA 0.364 5.001 4.640 -0.006 0.000 0.258 36 D C 1.544 177.807 176.300 -0.061 0.000 1.311 36 D CA 0.481 54.451 54.000 -0.050 0.000 0.843 36 D CB 0.510 41.281 40.800 -0.048 0.000 1.055 36 D HN 0.637 nan 8.370 nan 0.000 0.486 37 G N 1.105 109.866 108.800 -0.066 0.000 2.189 37 G HA2 -0.268 3.689 3.960 -0.006 0.000 0.267 37 G HA3 -0.268 3.689 3.960 -0.006 0.000 0.267 37 G C 0.383 175.228 174.900 -0.092 0.000 0.975 37 G CA -0.132 44.921 45.100 -0.079 0.000 0.644 37 G HN 0.399 nan 8.290 nan 0.000 0.537 38 I N 1.151 121.676 120.570 -0.075 0.000 2.406 38 I HA 0.637 4.803 4.170 -0.006 0.000 0.290 38 I C 0.535 176.629 176.117 -0.038 0.000 0.999 38 I CA -0.692 60.572 61.300 -0.060 0.000 1.124 38 I CB 1.492 39.460 38.000 -0.054 0.000 1.289 38 I HN 0.270 nan 8.210 nan 0.000 0.441 39 A N 8.036 130.852 122.820 -0.007 0.000 2.274 39 A HA 0.628 4.945 4.320 -0.006 0.000 0.309 39 A C -0.030 177.591 177.584 0.063 0.000 1.226 39 A CA -0.689 51.370 52.037 0.036 0.000 0.853 39 A CB 0.582 19.642 19.000 0.099 0.000 1.146 39 A HN 0.592 nan 8.150 nan 0.000 0.518 40 R N 1.817 122.347 120.500 0.050 0.000 2.265 40 R HA 0.494 4.831 4.340 -0.006 0.000 0.319 40 R C -1.144 175.203 176.300 0.077 0.000 1.006 40 R CA -0.331 55.800 56.100 0.051 0.000 0.880 40 R CB 1.322 31.642 30.300 0.034 0.000 1.077 40 R HN 0.441 nan 8.270 nan 0.000 0.454 41 V N 3.122 123.081 119.914 0.076 0.000 2.487 41 V HA 0.178 4.294 4.120 -0.006 0.000 0.298 41 V C -0.170 175.974 176.094 0.084 0.000 1.028 41 V CA -0.993 61.360 62.300 0.088 0.000 0.860 41 V CB 1.630 33.492 31.823 0.065 0.000 0.991 41 V HN 0.729 nan 8.190 nan 0.000 0.427 42 H N 2.984 122.065 119.070 0.017 0.000 2.582 42 H HA 0.649 5.198 4.556 -0.011 0.000 0.345 42 H C 0.636 175.965 175.328 0.003 0.000 1.104 42 H CA 1.614 57.667 56.048 0.009 0.000 1.390 42 H CB 1.170 30.937 29.762 0.010 0.000 1.461 42 H HN 1.118 nan 8.280 nan 0.000 0.551 43 G N 2.709 111.210 108.800 -0.499 0.000 2.488 43 G HA2 -0.243 3.714 3.960 -0.006 0.000 0.237 43 G HA3 -0.243 3.714 3.960 -0.006 0.000 0.237 43 G C -0.011 174.801 174.900 -0.147 0.000 1.209 43 G CA -0.355 44.581 45.100 -0.273 0.000 0.929 43 G HN 1.225 nan 8.290 nan 0.000 0.578 44 L N -0.473 120.699 121.223 -0.084 0.000 3.737 44 L HA -0.216 4.121 4.340 -0.006 0.000 0.418 44 L C 2.179 179.009 176.870 -0.066 0.000 1.216 44 L CA 0.791 55.590 54.840 -0.067 0.000 0.915 44 L CB -0.803 41.218 42.059 -0.064 0.000 1.834 44 L HN 0.635 nan 8.230 nan 0.000 0.943 45 R N -0.044 120.413 120.500 -0.071 0.000 2.249 45 R HA -0.063 4.274 4.340 -0.006 0.000 0.230 45 R C 1.403 177.678 176.300 -0.043 0.000 1.121 45 R CA 1.068 57.130 56.100 -0.063 0.000 0.997 45 R CB -0.382 29.881 30.300 -0.060 0.000 0.867 45 R HN 0.556 nan 8.270 nan 0.000 0.465 46 N N 0.019 118.696 118.700 -0.037 0.000 2.205 46 N HA 0.011 4.748 4.740 -0.006 0.000 0.201 46 N C -0.021 175.474 175.510 -0.025 0.000 1.128 46 N CA 0.034 53.068 53.050 -0.027 0.000 0.867 46 N CB 0.695 39.168 38.487 -0.023 0.000 0.996 46 N HN -0.013 nan 8.380 nan 0.000 0.503 47 V N -0.004 119.892 119.914 -0.030 0.000 2.872 47 V HA 0.112 4.228 4.120 -0.006 0.000 0.307 47 V C 0.485 176.569 176.094 -0.016 0.000 1.072 47 V CA -0.555 61.730 62.300 -0.025 0.000 1.148 47 V CB 0.375 32.179 31.823 -0.031 0.000 0.954 47 V HN 0.056 nan 8.190 nan 0.000 0.490 48 Q N 2.199 121.993 119.800 -0.009 0.000 2.260 48 Q HA 0.647 4.983 4.340 -0.006 0.000 0.242 48 Q C 0.299 176.301 176.000 0.003 0.000 0.932 48 Q CA -0.319 55.483 55.803 -0.002 0.000 0.891 48 Q CB 1.350 30.089 28.738 0.002 0.000 1.222 48 Q HN 1.116 nan 8.270 nan 0.000 0.453 49 A N 1.986 124.811 122.820 0.008 0.000 2.520 49 A HA 0.035 4.352 4.320 -0.006 0.000 0.245 49 A C 0.070 177.669 177.584 0.024 0.000 1.072 49 A CA 0.235 52.281 52.037 0.016 0.000 0.761 49 A CB -0.247 18.764 19.000 0.018 0.000 1.004 49 A HN 0.949 nan 8.150 nan 0.000 0.499 50 E N -0.522 119.699 120.200 0.035 0.000 3.181 50 E HA -0.192 4.154 4.350 -0.006 0.000 0.293 50 E C 0.065 176.697 176.600 0.053 0.000 0.936 50 E CA 1.148 57.580 56.400 0.052 0.000 0.975 50 E CB -1.360 28.367 29.700 0.046 0.000 1.496 50 E HN 0.923 nan 8.360 nan 0.000 0.429 51 E N 0.888 121.111 120.200 0.038 0.000 2.283 51 E HA 0.324 4.670 4.350 -0.006 0.000 0.278 51 E C -0.068 176.560 176.600 0.047 0.000 1.027 51 E CA -0.629 55.789 56.400 0.031 0.000 0.843 51 E CB 0.791 30.496 29.700 0.009 0.000 1.062 51 E HN 0.063 nan 8.360 nan 0.000 0.401 52 M N 5.149 124.784 119.600 0.057 0.000 2.238 52 M HA 0.111 4.588 4.480 -0.006 0.000 0.350 52 M C -1.034 175.275 176.300 0.016 0.000 1.321 52 M CA -0.072 55.276 55.300 0.079 0.000 1.097 52 M CB 0.742 33.390 32.600 0.080 0.000 1.713 52 M HN 0.356 nan 8.290 nan 0.000 0.455 53 V N 1.688 121.592 119.914 -0.017 0.000 3.046 53 V HA 0.743 4.859 4.120 -0.006 0.000 0.316 53 V C -0.853 175.136 176.094 -0.176 0.000 1.104 53 V CA -0.903 61.317 62.300 -0.134 0.000 1.006 53 V CB 1.932 33.612 31.823 -0.239 0.000 1.058 53 V HN 0.865 nan 8.190 nan 0.000 0.440 54 E N 0.698 120.753 120.200 -0.242 0.000 2.222 54 E HA 0.608 4.954 4.350 -0.006 0.000 0.267 54 E C -1.794 174.638 176.600 -0.280 0.000 0.884 54 E CA -0.686 55.623 56.400 -0.153 0.000 0.764 54 E CB 1.973 31.649 29.700 -0.041 0.000 1.169 54 E HN 0.641 nan 8.360 nan 0.000 0.413 55 F N 1.196 121.167 119.950 0.034 0.000 2.399 55 F HA 0.114 4.635 4.527 -0.010 0.000 0.328 55 F C 1.892 177.706 175.800 0.024 0.000 1.084 55 F CA -0.264 57.752 58.000 0.026 0.000 1.053 55 F CB 1.581 40.595 39.000 0.024 0.000 1.209 55 F HN 0.568 nan 8.300 nan 0.000 0.502 56 S N -0.703 115.122 115.700 0.208 0.000 2.400 56 S HA -0.201 4.265 4.470 -0.006 0.000 0.232 56 S C 1.558 176.224 174.600 0.110 0.000 1.025 56 S CA 1.342 59.613 58.200 0.119 0.000 0.993 56 S CB -0.909 62.348 63.200 0.095 0.000 0.808 56 S HN 0.628 nan 8.310 nan 0.000 0.478 57 S N 0.597 116.378 115.700 0.134 0.000 2.607 57 S HA 0.459 4.926 4.470 -0.006 0.000 0.224 57 S C 1.660 176.315 174.600 0.092 0.000 0.969 57 S CA 0.327 58.580 58.200 0.089 0.000 0.927 57 S CB -0.524 62.709 63.200 0.055 0.000 0.772 57 S HN 1.261 nan 8.310 nan 0.000 0.533 58 G N 0.910 109.782 108.800 0.119 0.000 2.241 58 G HA2 -0.244 3.712 3.960 -0.006 0.000 0.244 58 G HA3 -0.244 3.712 3.960 -0.006 0.000 0.244 58 G C 0.034 175.018 174.900 0.141 0.000 0.998 58 G CA -0.055 45.109 45.100 0.106 0.000 0.621 58 G HN 0.492 nan 8.290 nan 0.000 0.519 59 L N 1.495 122.829 121.223 0.184 0.000 2.485 59 L HA 0.294 4.631 4.340 -0.006 0.000 0.275 59 L C 0.717 177.806 176.870 0.365 0.000 1.207 59 L CA 0.015 54.994 54.840 0.231 0.000 0.855 59 L CB 0.488 42.637 42.059 0.150 0.000 1.114 59 L HN 0.050 nan 8.230 nan 0.000 0.485 60 K N 2.221 122.815 120.400 0.323 0.000 2.098 60 K HA 0.692 5.009 4.320 -0.006 0.000 0.258 60 K C 0.026 176.897 176.600 0.452 0.000 0.973 60 K CA -0.444 56.045 56.287 0.335 0.000 0.898 60 K CB 1.936 34.601 32.500 0.275 0.000 1.057 60 K HN 0.749 nan 8.250 nan 0.000 0.447 61 G N 0.311 109.326 108.800 0.358 0.000 2.725 61 G HA2 0.619 4.576 3.960 -0.006 0.000 0.288 61 G HA3 0.619 4.576 3.960 -0.006 0.000 0.288 61 G C -1.556 173.441 174.900 0.161 0.000 1.399 61 G CA -0.698 44.549 45.100 0.246 0.000 0.859 61 G HN 0.469 nan 8.290 nan 0.000 0.479 62 M N 1.158 120.760 119.600 0.003 0.000 2.197 62 M HA 0.472 4.948 4.480 -0.006 0.000 0.301 62 M C -0.507 175.805 176.300 0.020 0.000 0.987 62 M CA -0.538 54.813 55.300 0.085 0.000 0.921 62 M CB 1.701 34.412 32.600 0.186 0.000 1.569 62 M HN 0.374 nan 8.290 nan 0.000 0.431 63 S N 4.912 120.628 115.700 0.027 0.000 2.506 63 S HA 0.056 4.522 4.470 -0.006 0.000 0.291 63 S C 0.469 175.080 174.600 0.019 0.000 1.230 63 S CA -0.322 57.883 58.200 0.010 0.000 1.107 63 S CB 0.361 63.562 63.200 0.002 0.000 0.942 63 S HN 0.709 nan 8.310 nan 0.000 0.502 64 L N 4.635 125.863 121.223 0.008 0.000 2.356 64 L HA 0.420 4.756 4.340 -0.006 0.000 0.193 64 L C 0.219 177.096 176.870 0.012 0.000 1.087 64 L CA 1.105 55.953 54.840 0.013 0.000 0.817 64 L CB -0.033 42.022 42.059 -0.007 0.000 1.035 64 L HN 0.454 nan 8.230 nan 0.000 0.482 65 N N 0.266 118.968 118.700 0.003 0.000 2.437 65 N HA 0.471 5.207 4.740 -0.006 0.000 0.259 65 N C -1.462 174.048 175.510 0.000 0.000 0.983 65 N CA -0.168 52.883 53.050 0.003 0.000 0.937 65 N CB 0.879 39.365 38.487 -0.002 0.000 1.122 65 N HN 0.131 nan 8.380 nan 0.000 0.499 66 L N 2.522 123.745 121.223 0.000 0.000 2.262 66 L HA 0.430 4.766 4.340 -0.006 0.000 0.288 66 L C 0.067 176.934 176.870 -0.006 0.000 1.035 66 L CA -0.338 54.498 54.840 -0.006 0.000 0.820 66 L CB 0.756 42.811 42.059 -0.007 0.000 1.204 66 L HN 0.444 nan 8.230 nan 0.000 0.424 67 E N 3.390 123.585 120.200 -0.009 0.000 2.281 67 E HA 0.335 4.682 4.350 -0.006 0.000 0.262 67 E C -1.769 174.823 176.600 -0.013 0.000 0.933 67 E CA -1.808 54.588 56.400 -0.007 0.000 0.809 67 E CB 1.919 31.617 29.700 -0.002 0.000 1.242 67 E HN 0.270 nan 8.360 nan 0.000 0.418 68 P HA -0.193 nan 4.420 nan 0.000 0.216 68 P C 0.431 177.720 177.300 -0.018 0.000 1.150 68 P CA 1.426 64.519 63.100 -0.012 0.000 0.843 68 P CB 0.158 31.856 31.700 -0.004 0.000 0.787 69 D N -2.279 118.117 120.400 -0.007 0.000 2.433 69 D HA 0.055 4.692 4.640 -0.006 0.000 0.211 69 D C 0.159 176.459 176.300 0.001 0.000 1.114 69 D CA -0.142 53.860 54.000 0.003 0.000 0.837 69 D CB -0.633 40.190 40.800 0.038 0.000 0.984 69 D HN 0.363 nan 8.370 nan 0.000 0.505 70 N N -1.569 117.124 118.700 -0.012 0.000 2.961 70 N HA 0.370 5.106 4.740 -0.006 0.000 0.245 70 N C -2.013 173.490 175.510 -0.011 0.000 1.404 70 N CA -0.985 52.063 53.050 -0.004 0.000 0.880 70 N CB 1.636 40.142 38.487 0.031 0.000 1.461 70 N HN -0.218 nan 8.380 nan 0.000 0.510 71 V N 0.329 120.239 119.914 -0.006 0.000 2.417 71 V HA 0.724 4.841 4.120 -0.006 0.000 0.291 71 V C 0.722 176.823 176.094 0.013 0.000 1.024 71 V CA -0.515 61.782 62.300 -0.004 0.000 0.861 71 V CB 1.086 32.899 31.823 -0.016 0.000 0.985 71 V HN 0.862 nan 8.190 nan 0.000 0.436 72 G N 3.904 112.709 108.800 0.008 0.000 2.349 72 G HA2 0.497 4.454 3.960 -0.006 0.000 0.281 72 G HA3 0.497 4.454 3.960 -0.006 0.000 0.281 72 G C -0.689 174.216 174.900 0.009 0.000 1.182 72 G CA -0.148 44.957 45.100 0.008 0.000 0.899 72 G HN 0.547 nan 8.290 nan 0.000 0.455 73 V N 3.606 123.538 119.914 0.030 0.000 2.448 73 V HA 0.222 4.338 4.120 -0.006 0.000 0.295 73 V C 0.220 176.308 176.094 -0.009 0.000 1.025 73 V CA -0.789 61.535 62.300 0.040 0.000 0.859 73 V CB 1.784 33.696 31.823 0.148 0.000 0.988 73 V HN 0.535 nan 8.190 nan 0.000 0.431 74 V N 5.955 125.806 119.914 -0.106 0.000 2.470 74 V HA 0.173 4.289 4.120 -0.006 0.000 0.276 74 V C 0.223 176.098 176.094 -0.364 0.000 1.040 74 V CA -0.173 61.979 62.300 -0.248 0.000 1.008 74 V CB 1.411 33.032 31.823 -0.336 0.000 0.990 74 V HN 0.625 nan 8.190 nan 0.000 0.477 75 V N 6.439 126.193 119.914 -0.266 0.000 2.406 75 V HA 0.304 4.420 4.120 -0.006 0.000 0.272 75 V C 0.080 176.052 176.094 -0.202 0.000 1.043 75 V CA -0.236 61.954 62.300 -0.182 0.000 0.915 75 V CB 0.807 32.528 31.823 -0.170 0.000 0.988 75 V HN 0.716 nan 8.190 nan 0.000 0.466 76 F N 4.670 124.690 119.950 0.117 0.000 2.640 76 F HA 0.602 5.130 4.527 0.002 0.000 0.354 76 F C 1.149 176.995 175.800 0.075 0.000 1.213 76 F CA 0.446 58.509 58.000 0.105 0.000 1.314 76 F CB 0.317 39.389 39.000 0.119 0.000 1.679 76 F HN 0.776 nan 8.300 nan 0.000 0.622 77 G N 0.727 109.630 108.800 0.172 0.000 2.352 77 G HA2 -0.082 3.875 3.960 -0.006 0.000 0.283 77 G HA3 -0.082 3.875 3.960 -0.006 0.000 0.283 77 G C -1.763 173.154 174.900 0.028 0.000 1.308 77 G CA -1.181 43.979 45.100 0.101 0.000 0.892 77 G HN 0.099 nan 8.290 nan 0.000 0.504 78 N N 1.800 120.506 118.700 0.009 0.000 2.401 78 N HA 0.177 4.913 4.740 -0.006 0.000 0.255 78 N C 0.912 176.384 175.510 -0.064 0.000 1.110 78 N CA 0.227 53.266 53.050 -0.018 0.000 0.949 78 N CB 0.764 39.247 38.487 -0.006 0.000 1.110 78 N HN 0.544 nan 8.380 nan 0.000 0.490 79 D N 2.800 123.149 120.400 -0.085 0.000 2.352 79 D HA -0.140 4.497 4.640 -0.006 0.000 0.232 79 D C 1.020 177.255 176.300 -0.108 0.000 1.055 79 D CA 0.233 54.151 54.000 -0.135 0.000 0.891 79 D CB 0.111 40.825 40.800 -0.143 0.000 0.897 79 D HN 0.681 nan 8.370 nan 0.000 0.529 80 K N 0.833 121.190 120.400 -0.072 0.000 2.288 80 K HA -0.055 4.262 4.320 -0.006 0.000 0.201 80 K C 1.900 178.465 176.600 -0.059 0.000 1.048 80 K CA 0.460 56.714 56.287 -0.054 0.000 0.956 80 K CB -0.253 32.227 32.500 -0.033 0.000 0.746 80 K HN 0.153 nan 8.250 nan 0.000 0.461 81 L N 1.050 122.229 121.223 -0.074 0.000 2.492 81 L HA 0.217 4.554 4.340 -0.006 0.000 0.223 81 L C 0.764 177.579 176.870 -0.093 0.000 1.132 81 L CA 0.037 54.838 54.840 -0.065 0.000 0.850 81 L CB -0.095 41.933 42.059 -0.052 0.000 0.966 81 L HN 0.143 nan 8.230 nan 0.000 0.454 82 I N -0.026 120.454 120.570 -0.150 0.000 2.392 82 I HA 0.257 4.424 4.170 -0.006 0.000 0.295 82 I C -0.110 175.948 176.117 -0.098 0.000 0.985 82 I CA -0.318 60.873 61.300 -0.182 0.000 1.221 82 I CB 1.498 39.260 38.000 -0.398 0.000 1.366 82 I HN -0.029 nan 8.210 nan 0.000 0.467 83 K N 4.037 124.408 120.400 -0.048 0.000 2.443 83 K HA 0.334 4.650 4.320 -0.006 0.000 0.251 83 K C -0.770 175.832 176.600 0.002 0.000 0.972 83 K CA -0.957 55.317 56.287 -0.021 0.000 0.833 83 K CB 2.223 34.718 32.500 -0.009 0.000 1.317 83 K HN 0.509 nan 8.250 nan 0.000 0.441 84 E N 0.429 120.631 120.200 0.003 0.000 2.480 84 E HA -0.027 4.320 4.350 -0.006 0.000 0.258 84 E C 0.476 177.088 176.600 0.021 0.000 0.984 84 E CA 1.391 57.800 56.400 0.014 0.000 0.930 84 E CB 0.173 29.875 29.700 0.005 0.000 0.936 84 E HN 0.788 nan 8.360 nan 0.000 0.466 85 G N 4.406 113.226 108.800 0.034 0.000 2.313 85 G HA2 -0.243 3.713 3.960 -0.006 0.000 0.215 85 G HA3 -0.243 3.713 3.960 -0.006 0.000 0.215 85 G C -0.076 174.856 174.900 0.054 0.000 1.023 85 G CA -0.023 45.097 45.100 0.034 0.000 0.626 85 G HN 0.657 nan 8.290 nan 0.000 0.503 86 D N 1.191 121.632 120.400 0.068 0.000 2.629 86 D HA 0.318 4.954 4.640 -0.006 0.000 0.228 86 D C 0.804 177.178 176.300 0.124 0.000 1.127 86 D CA 0.396 54.457 54.000 0.101 0.000 0.855 86 D CB 0.468 41.344 40.800 0.127 0.000 1.180 86 D HN 0.349 nan 8.370 nan 0.000 0.484 87 I N 1.966 122.597 120.570 0.102 0.000 2.519 87 I HA 0.166 4.333 4.170 -0.006 0.000 0.287 87 I C -0.049 176.104 176.117 0.060 0.000 1.047 87 I CA -0.200 61.142 61.300 0.070 0.000 1.381 87 I CB 1.213 39.239 38.000 0.044 0.000 1.417 87 I HN 0.037 nan 8.210 nan 0.000 0.540 88 V N 5.699 125.603 119.914 -0.018 0.000 2.638 88 V HA 0.491 4.607 4.120 -0.006 0.000 0.306 88 V C -0.376 175.634 176.094 -0.140 0.000 1.052 88 V CA -1.064 61.131 62.300 -0.174 0.000 0.885 88 V CB 1.654 33.314 31.823 -0.272 0.000 0.999 88 V HN 0.580 nan 8.190 nan 0.000 0.424 89 K N 3.304 123.609 120.400 -0.158 0.000 2.259 89 K HA 0.629 4.945 4.320 -0.006 0.000 0.252 89 K C -0.363 176.171 176.600 -0.111 0.000 0.936 89 K CA -0.907 55.320 56.287 -0.100 0.000 0.810 89 K CB 2.456 34.920 32.500 -0.060 0.000 1.143 89 K HN 0.549 nan 8.250 nan 0.000 0.427 90 R N 0.500 120.954 120.500 -0.078 0.000 2.756 90 R HA -0.030 4.306 4.340 -0.006 0.000 0.264 90 R C 1.156 177.429 176.300 -0.045 0.000 1.026 90 R CA 0.585 56.648 56.100 -0.061 0.000 1.121 90 R CB 0.283 30.557 30.300 -0.043 0.000 0.999 90 R HN 0.837 nan 8.270 nan 0.000 0.449 91 T N -2.311 112.223 114.554 -0.033 0.000 2.971 91 T HA 0.169 4.516 4.350 -0.006 0.000 0.252 91 T C 1.330 176.023 174.700 -0.013 0.000 1.022 91 T CA 0.366 62.455 62.100 -0.019 0.000 0.980 91 T CB 0.593 69.456 68.868 -0.009 0.000 1.044 91 T HN 0.808 nan 8.240 nan 0.000 0.501 92 G N 1.444 110.236 108.800 -0.013 0.000 2.179 92 G HA2 -0.015 3.941 3.960 -0.006 0.000 0.260 92 G HA3 -0.015 3.941 3.960 -0.006 0.000 0.260 92 G C 0.212 175.110 174.900 -0.004 0.000 0.977 92 G CA -0.093 45.001 45.100 -0.009 0.000 0.641 92 G HN 1.359 nan 8.290 nan 0.000 0.533 93 A N 0.919 123.739 122.820 -0.001 0.000 2.304 93 A HA 0.729 5.046 4.320 -0.006 0.000 0.314 93 A C 0.406 177.996 177.584 0.011 0.000 1.187 93 A CA -0.699 51.340 52.037 0.003 0.000 0.810 93 A CB 0.734 19.735 19.000 0.001 0.000 1.183 93 A HN 0.529 nan 8.150 nan 0.000 0.487 94 I N 2.621 123.197 120.570 0.011 0.000 2.752 94 I HA -0.054 4.112 4.170 -0.006 0.000 0.289 94 I C 0.809 176.937 176.117 0.019 0.000 1.197 94 I CA 0.302 61.613 61.300 0.018 0.000 1.432 94 I CB 0.201 38.208 38.000 0.011 0.000 1.359 94 I HN 0.405 nan 8.210 nan 0.000 0.571 95 V N 7.469 127.406 119.914 0.038 0.000 2.703 95 V HA -0.128 3.989 4.120 -0.006 0.000 0.300 95 V C 0.361 176.451 176.094 -0.006 0.000 1.063 95 V CA 0.484 62.805 62.300 0.035 0.000 1.240 95 V CB -0.848 31.022 31.823 0.078 0.000 0.845 95 V HN 0.906 nan 8.190 nan 0.000 0.476 96 D N 4.130 124.519 120.400 -0.020 0.000 2.592 96 D HA 0.747 5.383 4.640 -0.006 0.000 0.263 96 D C -0.591 175.681 176.300 -0.047 0.000 1.132 96 D CA -0.615 53.367 54.000 -0.030 0.000 0.996 96 D CB 2.186 42.974 40.800 -0.020 0.000 1.442 96 D HN 0.470 nan 8.370 nan 0.000 0.486 97 V N -4.882 115.004 119.914 -0.046 0.000 3.078 97 V HA 0.732 4.849 4.120 -0.006 0.000 0.311 97 V C -2.868 173.191 176.094 -0.058 0.000 1.138 97 V CA -2.283 59.984 62.300 -0.055 0.000 1.007 97 V CB 1.858 33.647 31.823 -0.056 0.000 1.045 97 V HN 0.574 nan 8.190 nan 0.000 0.432 98 P HA 0.341 nan 4.420 nan 0.000 0.271 98 P C -0.734 176.495 177.300 -0.119 0.000 1.216 98 P CA 0.170 63.219 63.100 -0.085 0.000 0.776 98 P CB 1.635 33.292 31.700 -0.073 0.000 0.881 99 V N 1.651 121.453 119.914 -0.187 0.000 3.160 99 V HA 0.851 4.967 4.120 -0.006 0.000 0.310 99 V C 0.404 176.158 176.094 -0.567 0.000 1.181 99 V CA 0.406 62.522 62.300 -0.306 0.000 1.047 99 V CB 1.857 33.539 31.823 -0.235 0.000 1.068 99 V HN 1.081 nan 8.190 nan 0.000 0.441 100 G N 1.699 109.876 108.800 -1.038 0.000 2.434 100 G HA2 -0.066 3.891 3.960 -0.006 0.000 0.671 100 G HA3 -0.066 3.891 3.960 -0.006 0.000 0.671 100 G C -0.010 174.478 174.900 -0.686 0.000 1.280 100 G CA 0.061 44.263 45.100 -1.496 0.000 0.975 100 G HN 0.655 nan 8.290 nan 0.000 0.510 101 E N 0.449 120.420 120.200 -0.381 0.000 2.427 101 E HA -0.058 4.289 4.350 -0.006 0.000 0.196 101 E C 2.010 178.616 176.600 0.011 0.000 1.028 101 E CA 1.007 57.399 56.400 -0.014 0.000 0.864 101 E CB 0.072 29.827 29.700 0.092 0.000 0.813 101 E HN 0.613 nan 8.360 nan 0.000 0.514 102 E N 0.825 120.988 120.200 -0.062 0.000 2.274 102 E HA -0.136 4.210 4.350 -0.006 0.000 0.194 102 E C 1.912 178.507 176.600 -0.008 0.000 0.996 102 E CA 0.510 56.894 56.400 -0.027 0.000 0.840 102 E CB -0.293 29.376 29.700 -0.051 0.000 0.772 102 E HN 0.331 nan 8.360 nan 0.000 0.491 103 L N 0.820 122.035 121.223 -0.013 0.000 2.376 103 L HA 0.036 4.373 4.340 -0.006 0.000 0.219 103 L C 1.245 178.150 176.870 0.058 0.000 1.133 103 L CA 0.148 54.997 54.840 0.014 0.000 0.816 103 L CB -0.347 41.717 42.059 0.007 0.000 0.933 103 L HN 0.001 nan 8.230 nan 0.000 0.449 104 L N 0.705 121.985 121.223 0.095 0.000 2.559 104 L HA 0.047 4.384 4.340 -0.006 0.000 0.274 104 L C 1.447 178.357 176.870 0.068 0.000 1.205 104 L CA 0.724 55.636 54.840 0.120 0.000 0.907 104 L CB -0.189 41.983 42.059 0.188 0.000 1.153 104 L HN 0.394 nan 8.230 nan 0.000 0.490 105 G N 2.036 110.859 108.800 0.039 0.000 2.179 105 G HA2 -0.222 3.735 3.960 -0.006 0.000 0.260 105 G HA3 -0.222 3.735 3.960 -0.006 0.000 0.260 105 G C 0.301 175.203 174.900 0.002 0.000 0.977 105 G CA -0.324 44.777 45.100 0.002 0.000 0.641 105 G HN 0.486 nan 8.290 nan 0.000 0.533 106 R N -0.130 120.380 120.500 0.017 0.000 2.540 106 R HA 0.655 4.992 4.340 -0.006 0.000 0.287 106 R C -0.041 176.269 176.300 0.018 0.000 0.980 106 R CA -0.782 55.326 56.100 0.013 0.000 0.966 106 R CB 1.560 31.868 30.300 0.012 0.000 1.106 106 R HN 0.225 nan 8.270 nan 0.000 0.480 107 V N 3.065 122.988 119.914 0.015 0.000 2.370 107 V HA 0.405 4.521 4.120 -0.006 0.000 0.279 107 V C 0.406 176.512 176.094 0.021 0.000 1.029 107 V CA -0.760 61.554 62.300 0.024 0.000 0.870 107 V CB 1.257 33.092 31.823 0.021 0.000 0.984 107 V HN 0.591 nan 8.190 nan 0.000 0.451 108 V N 1.287 121.215 119.914 0.024 0.000 3.046 108 V HA 0.830 4.946 4.120 -0.006 0.000 0.316 108 V C -0.373 175.732 176.094 0.018 0.000 1.104 108 V CA -0.842 61.468 62.300 0.016 0.000 1.006 108 V CB 2.142 33.969 31.823 0.006 0.000 1.058 108 V HN 0.776 nan 8.190 nan 0.000 0.440 109 D N 1.652 122.059 120.400 0.012 0.000 2.478 109 D HA 0.500 5.137 4.640 -0.006 0.000 0.274 109 D C 1.233 177.530 176.300 -0.005 0.000 1.234 109 D CA 0.030 54.038 54.000 0.014 0.000 1.069 109 D CB 0.924 41.736 40.800 0.021 0.000 1.113 109 D HN 0.829 nan 8.370 nan 0.000 0.571 110 A N -0.849 121.965 122.820 -0.010 0.000 2.070 110 A HA -0.047 4.270 4.320 -0.006 0.000 0.220 110 A C 2.192 179.716 177.584 -0.100 0.000 1.159 110 A CA 0.999 53.008 52.037 -0.046 0.000 0.656 110 A CB -0.800 18.177 19.000 -0.038 0.000 0.800 110 A HN 0.516 nan 8.150 nan 0.000 0.453 111 L N -2.028 119.143 121.223 -0.087 0.000 2.607 111 L HA 0.270 4.607 4.340 -0.006 0.000 0.228 111 L C 1.655 178.488 176.870 -0.062 0.000 1.123 111 L CA 0.527 55.305 54.840 -0.104 0.000 0.890 111 L CB 0.159 42.171 42.059 -0.079 0.000 1.103 111 L HN 0.541 nan 8.230 nan 0.000 0.468 112 G N -0.287 108.488 108.800 -0.041 0.000 2.175 112 G HA2 -0.245 3.711 3.960 -0.006 0.000 0.244 112 G HA3 -0.245 3.711 3.960 -0.006 0.000 0.244 112 G C 0.108 174.996 174.900 -0.019 0.000 0.982 112 G CA -0.375 44.707 45.100 -0.030 0.000 0.641 112 G HN 0.341 nan 8.290 nan 0.000 0.527 113 N N 1.584 120.278 118.700 -0.011 0.000 2.468 113 N HA 0.462 5.198 4.740 -0.006 0.000 0.265 113 N C 0.757 176.269 175.510 0.003 0.000 1.199 113 N CA 0.798 53.847 53.050 -0.001 0.000 0.928 113 N CB 1.173 39.665 38.487 0.009 0.000 1.059 113 N HN 0.799 nan 8.380 nan 0.000 0.467 114 A N 2.353 125.174 122.820 0.003 0.000 2.531 114 A HA 0.179 4.495 4.320 -0.006 0.000 0.236 114 A C 1.320 178.911 177.584 0.010 0.000 1.062 114 A CA 0.014 52.054 52.037 0.005 0.000 0.760 114 A CB -0.324 18.678 19.000 0.003 0.000 0.995 114 A HN 0.834 nan 8.150 nan 0.000 0.501 115 I N -1.528 119.050 120.570 0.012 0.000 4.442 115 I HA 0.240 4.407 4.170 -0.006 0.000 0.331 115 I C 0.257 176.382 176.117 0.012 0.000 1.364 115 I CA 0.048 61.357 61.300 0.015 0.000 1.207 115 I CB 0.527 38.540 38.000 0.021 0.000 1.298 115 I HN 0.436 nan 8.210 nan 0.000 0.463 116 D N 1.401 121.807 120.400 0.009 0.000 2.339 116 D HA 0.147 4.784 4.640 -0.006 0.000 0.217 116 D C 1.665 177.967 176.300 0.003 0.000 1.050 116 D CA 0.482 54.484 54.000 0.005 0.000 0.856 116 D CB -0.047 40.754 40.800 0.002 0.000 0.922 116 D HN 0.425 nan 8.370 nan 0.000 0.518 117 G N 0.983 109.785 108.800 0.005 0.000 2.225 117 G HA2 -0.379 3.577 3.960 -0.006 0.000 0.267 117 G HA3 -0.379 3.577 3.960 -0.006 0.000 0.267 117 G C 0.599 175.500 174.900 0.002 0.000 1.024 117 G CA 0.454 45.556 45.100 0.004 0.000 0.784 117 G HN 0.471 nan 8.290 nan 0.000 0.507 118 K N 0.164 120.565 120.400 0.001 0.000 2.570 118 K HA 0.472 4.788 4.320 -0.006 0.000 0.210 118 K C 1.376 177.976 176.600 0.000 0.000 1.048 118 K CA 0.271 56.558 56.287 -0.000 0.000 1.167 118 K CB 0.338 32.837 32.500 -0.001 0.000 0.892 118 K HN 1.363 nan 8.250 nan 0.000 0.480 119 G N 2.284 111.085 108.800 0.001 0.000 2.760 119 G HA2 -0.203 3.754 3.960 -0.006 0.000 0.246 119 G HA3 -0.203 3.754 3.960 -0.006 0.000 0.246 119 G C -2.715 172.184 174.900 -0.001 0.000 1.359 119 G CA -1.261 43.839 45.100 0.000 0.000 0.861 119 G HN 0.068 nan 8.290 nan 0.000 0.541 120 P HA 0.467 nan 4.420 nan 0.000 0.272 120 P C 0.326 177.620 177.300 -0.009 0.000 1.230 120 P CA -0.562 62.535 63.100 -0.005 0.000 0.788 120 P CB 0.371 32.068 31.700 -0.006 0.000 0.949 121 I N 0.953 121.515 120.570 -0.014 0.000 2.416 121 I HA 0.148 4.314 4.170 -0.006 0.000 0.288 121 I C 1.491 177.592 176.117 -0.027 0.000 1.051 121 I CA 0.003 61.290 61.300 -0.022 0.000 1.375 121 I CB 0.194 38.176 38.000 -0.030 0.000 1.407 121 I HN 0.485 nan 8.210 nan 0.000 0.516 122 G N 4.386 113.170 108.800 -0.027 0.000 3.392 122 G HA2 0.051 4.007 3.960 -0.006 0.000 0.247 122 G HA3 0.051 4.007 3.960 -0.006 0.000 0.247 122 G C 0.538 175.411 174.900 -0.047 0.000 1.161 122 G CA -0.114 44.969 45.100 -0.029 0.000 1.739 122 G HN 0.596 nan 8.290 nan 0.000 0.619 123 S N -0.540 115.125 115.700 -0.058 0.000 2.523 123 S HA 0.330 4.797 4.470 -0.006 0.000 0.275 123 S C 1.256 175.809 174.600 -0.077 0.000 1.281 123 S CA -0.462 57.685 58.200 -0.088 0.000 1.050 123 S CB 1.231 64.372 63.200 -0.099 0.000 0.937 123 S HN 0.452 nan 8.310 nan 0.000 0.492 124 K N 3.041 123.387 120.400 -0.091 0.000 2.262 124 K HA 0.360 4.677 4.320 -0.006 0.000 0.200 124 K C 0.702 177.260 176.600 -0.070 0.000 1.058 124 K CA 0.468 56.715 56.287 -0.066 0.000 0.974 124 K CB 0.124 32.593 32.500 -0.053 0.000 0.910 124 K HN 0.634 nan 8.250 nan 0.000 0.484 125 A N 1.479 124.237 122.820 -0.104 0.000 2.279 125 A HA 0.597 4.914 4.320 -0.006 0.000 0.303 125 A C -0.511 177.014 177.584 -0.099 0.000 1.108 125 A CA -0.431 51.552 52.037 -0.090 0.000 0.830 125 A CB 0.655 19.604 19.000 -0.086 0.000 1.106 125 A HN 0.131 nan 8.150 nan 0.000 0.493 126 R N -0.471 119.990 120.500 -0.064 0.000 2.836 126 R HA 0.730 5.067 4.340 -0.006 0.000 0.269 126 R C -0.903 175.375 176.300 -0.037 0.000 1.010 126 R CA -0.819 55.246 56.100 -0.058 0.000 0.930 126 R CB 2.486 32.760 30.300 -0.043 0.000 1.218 126 R HN 0.796 nan 8.270 nan 0.000 0.473 127 R N 0.988 121.469 120.500 -0.033 0.000 2.566 127 R HA 0.288 4.624 4.340 -0.006 0.000 0.271 127 R C -1.010 175.281 176.300 -0.014 0.000 1.071 127 R CA -0.768 55.323 56.100 -0.015 0.000 0.915 127 R CB 1.772 32.069 30.300 -0.005 0.000 1.228 127 R HN 0.553 nan 8.270 nan 0.000 0.449 128 R N 1.514 122.009 120.500 -0.008 0.000 2.640 128 R HA -0.017 4.320 4.340 -0.006 0.000 0.270 128 R C 1.480 177.773 176.300 -0.012 0.000 1.024 128 R CA 0.332 56.425 56.100 -0.011 0.000 1.085 128 R CB 0.667 30.963 30.300 -0.007 0.000 0.963 128 R HN 0.545 nan 8.270 nan 0.000 0.426 129 V N 0.490 120.389 119.914 -0.025 0.000 2.951 129 V HA 0.073 4.190 4.120 -0.006 0.000 0.255 129 V C 1.347 177.411 176.094 -0.049 0.000 1.088 129 V CA 1.724 64.011 62.300 -0.022 0.000 1.109 129 V CB -0.050 31.746 31.823 -0.046 0.000 0.724 129 V HN 0.874 nan 8.190 nan 0.000 0.471 130 G N 0.174 108.930 108.800 -0.075 0.000 3.141 130 G HA2 0.284 4.240 3.960 -0.006 0.000 0.218 130 G HA3 0.284 4.240 3.960 -0.006 0.000 0.218 130 G C 0.538 175.409 174.900 -0.049 0.000 1.170 130 G CA -0.454 44.582 45.100 -0.107 0.000 0.769 130 G HN 0.474 nan 8.290 nan 0.000 0.546 131 L N 1.178 122.391 121.223 -0.017 0.000 2.578 131 L HA 0.035 4.371 4.340 -0.006 0.000 0.279 131 L C 1.032 177.905 176.870 0.005 0.000 1.227 131 L CA 0.202 55.043 54.840 0.000 0.000 0.900 131 L CB 0.444 42.509 42.059 0.010 0.000 1.144 131 L HN 0.114 nan 8.230 nan 0.000 0.496 132 K N 2.513 122.920 120.400 0.012 0.000 2.355 132 K HA 0.287 4.604 4.320 -0.006 0.000 0.270 132 K C 0.062 176.670 176.600 0.013 0.000 1.003 132 K CA -0.443 55.855 56.287 0.020 0.000 0.957 132 K CB 0.822 33.338 32.500 0.026 0.000 0.939 132 K HN 0.699 nan 8.250 nan 0.000 0.482 133 A N 4.966 127.795 122.820 0.014 0.000 2.386 133 A HA 0.270 4.586 4.320 -0.006 0.000 0.248 133 A C -2.150 175.425 177.584 -0.014 0.000 1.082 133 A CA -1.208 50.832 52.037 0.004 0.000 0.789 133 A CB -0.397 18.608 19.000 0.007 0.000 1.025 133 A HN 0.575 nan 8.150 nan 0.000 0.490 134 P HA 0.086 nan 4.420 nan 0.000 0.263 134 P C 0.756 178.012 177.300 -0.073 0.000 1.168 134 P CA 0.904 63.956 63.100 -0.080 0.000 0.759 134 P CB 0.278 31.913 31.700 -0.109 0.000 0.782 135 G N 1.683 110.428 108.800 -0.091 0.000 2.485 135 G HA2 0.127 4.084 3.960 -0.006 0.000 0.260 135 G HA3 0.127 4.084 3.960 -0.006 0.000 0.260 135 G C 1.106 175.955 174.900 -0.084 0.000 1.459 135 G CA -0.551 44.508 45.100 -0.068 0.000 1.060 135 G HN 0.413 nan 8.290 nan 0.000 0.546 136 I N -0.087 120.446 120.570 -0.061 0.000 2.202 136 I HA -0.098 4.069 4.170 -0.006 0.000 0.242 136 I C 2.557 178.629 176.117 -0.074 0.000 1.091 136 I CA 0.542 61.811 61.300 -0.051 0.000 1.368 136 I CB -0.084 37.902 38.000 -0.024 0.000 1.058 136 I HN 0.231 nan 8.210 nan 0.000 0.410 137 I N 1.017 121.534 120.570 -0.088 0.000 2.226 137 I HA -0.148 4.018 4.170 -0.006 0.000 0.245 137 I C -0.326 175.684 176.117 -0.178 0.000 1.100 137 I CA 1.658 62.911 61.300 -0.079 0.000 1.374 137 I CB -2.716 35.272 38.000 -0.021 0.000 1.057 137 I HN 0.165 nan 8.210 nan 0.000 0.413 138 P HA -0.050 nan 4.420 nan 0.000 0.239 138 P C 0.347 177.456 177.300 -0.318 0.000 1.184 138 P CA 0.902 63.488 63.100 -0.856 0.000 0.760 138 P CB 0.049 31.046 31.700 -1.171 0.000 0.884 139 R N -0.461 119.942 120.500 -0.162 0.000 2.691 139 R HA 0.751 5.088 4.340 -0.006 0.000 0.259 139 R C -0.192 176.099 176.300 -0.015 0.000 1.048 139 R CA -0.892 55.166 56.100 -0.070 0.000 1.086 139 R CB 1.393 31.657 30.300 -0.058 0.000 1.166 139 R HN -0.019 nan 8.270 nan 0.000 0.526 140 I N -0.357 120.215 120.570 0.004 0.000 2.918 140 I HA 0.177 4.344 4.170 -0.006 0.000 0.301 140 I C -0.581 175.544 176.117 0.013 0.000 1.312 140 I CA -0.655 60.655 61.300 0.015 0.000 1.007 140 I CB 2.391 40.409 38.000 0.030 0.000 1.281 140 I HN 0.849 nan 8.210 nan 0.000 0.440 141 S N 4.874 120.581 115.700 0.012 0.000 2.563 141 S HA 0.218 4.685 4.470 -0.006 0.000 0.284 141 S C 0.105 174.710 174.600 0.008 0.000 1.331 141 S CA -0.459 57.747 58.200 0.009 0.000 1.047 141 S CB 0.813 64.018 63.200 0.008 0.000 0.859 141 S HN 0.765 nan 8.310 nan 0.000 0.514 142 V N 1.937 121.853 119.914 0.005 0.000 2.843 142 V HA 0.490 4.607 4.120 -0.006 0.000 0.305 142 V C 0.964 177.053 176.094 -0.009 0.000 1.065 142 V CA 0.156 62.455 62.300 -0.002 0.000 1.116 142 V CB 0.327 32.146 31.823 -0.006 0.000 0.968 142 V HN 1.202 nan 8.190 nan 0.000 0.487 143 R N 0.724 121.212 120.500 -0.021 0.000 2.435 143 R HA 0.347 4.684 4.340 -0.006 0.000 0.276 143 R C -0.092 176.178 176.300 -0.050 0.000 0.866 143 R CA -0.460 55.625 56.100 -0.025 0.000 1.085 143 R CB 0.148 30.442 30.300 -0.011 0.000 1.751 143 R HN 0.682 nan 8.270 nan 0.000 0.463 144 E N 3.380 123.532 120.200 -0.080 0.000 2.156 144 E HA 0.352 4.699 4.350 -0.006 0.000 0.279 144 E C -2.570 173.940 176.600 -0.150 0.000 0.965 144 E CA -2.477 53.840 56.400 -0.139 0.000 0.789 144 E CB 1.796 31.358 29.700 -0.231 0.000 1.098 144 E HN -0.035 nan 8.360 nan 0.000 0.397 145 P HA -0.049 nan 4.420 nan 0.000 0.265 145 P C -0.679 176.495 177.300 -0.209 0.000 1.193 145 P CA 0.159 63.176 63.100 -0.139 0.000 0.765 145 P CB 0.423 32.056 31.700 -0.111 0.000 0.823 146 M N 3.902 123.406 119.600 -0.159 0.000 2.060 146 M HA 0.146 4.623 4.480 -0.006 0.000 0.342 146 M C -0.684 175.547 176.300 -0.115 0.000 1.031 146 M CA -0.436 54.758 55.300 -0.175 0.000 0.981 146 M CB 0.386 32.914 32.600 -0.119 0.000 1.376 146 M HN 0.311 nan 8.290 nan 0.000 0.397 147 Q N 2.589 122.312 119.800 -0.129 0.000 2.288 147 Q HA 0.213 4.550 4.340 -0.006 0.000 0.258 147 Q C 1.206 177.229 176.000 0.039 0.000 0.957 147 Q CA 0.078 55.881 55.803 0.000 0.000 0.919 147 Q CB 0.908 29.722 28.738 0.127 0.000 1.185 147 Q HN 0.754 nan 8.270 nan 0.000 0.408 148 T N -1.388 113.187 114.554 0.035 0.000 2.978 148 T HA 0.093 4.440 4.350 -0.006 0.000 0.262 148 T C 1.296 176.028 174.700 0.054 0.000 1.063 148 T CA 0.703 62.826 62.100 0.039 0.000 1.140 148 T CB 0.053 68.936 68.868 0.025 0.000 0.886 148 T HN 0.839 nan 8.240 nan 0.000 0.470 149 G N 1.521 110.355 108.800 0.056 0.000 2.176 149 G HA2 -0.201 3.756 3.960 -0.006 0.000 0.253 149 G HA3 -0.201 3.756 3.960 -0.006 0.000 0.253 149 G C 0.062 174.976 174.900 0.024 0.000 0.979 149 G CA 0.057 45.182 45.100 0.042 0.000 0.641 149 G HN 0.664 nan 8.290 nan 0.000 0.530 150 I N 1.319 121.902 120.570 0.023 0.000 2.301 150 I HA 0.232 4.399 4.170 -0.006 0.000 0.292 150 I C 1.674 177.801 176.117 0.018 0.000 1.046 150 I CA -0.626 60.683 61.300 0.015 0.000 1.282 150 I CB 1.193 39.200 38.000 0.012 0.000 1.409 150 I HN 0.008 nan 8.210 nan 0.000 0.484 151 K N 4.379 124.789 120.400 0.017 0.000 2.052 151 K HA -0.289 4.028 4.320 -0.006 0.000 0.215 151 K C 2.090 178.704 176.600 0.024 0.000 1.053 151 K CA 2.170 58.470 56.287 0.022 0.000 0.934 151 K CB -0.193 32.321 32.500 0.023 0.000 0.717 151 K HN 0.818 nan 8.250 nan 0.000 0.450 152 A N 0.699 123.532 122.820 0.021 0.000 1.902 152 A HA -0.120 4.197 4.320 -0.006 0.000 0.217 152 A C 2.378 179.978 177.584 0.028 0.000 1.181 152 A CA 1.597 53.649 52.037 0.025 0.000 0.623 152 A CB -0.533 18.482 19.000 0.025 0.000 0.818 152 A HN 0.105 nan 8.150 nan 0.000 0.443 153 V N 0.370 120.299 119.914 0.026 0.000 2.283 153 V HA -0.181 3.935 4.120 -0.006 0.000 0.243 153 V C 2.078 178.186 176.094 0.023 0.000 1.039 153 V CA 2.097 64.412 62.300 0.026 0.000 1.016 153 V CB -0.827 31.010 31.823 0.023 0.000 0.650 153 V HN 0.441 nan 8.190 nan 0.000 0.449 154 D N 0.464 120.878 120.400 0.023 0.000 2.218 154 D HA -0.105 4.532 4.640 -0.006 0.000 0.204 154 D C 2.397 178.710 176.300 0.023 0.000 0.976 154 D CA 1.720 55.733 54.000 0.022 0.000 0.853 154 D CB -0.033 40.783 40.800 0.027 0.000 0.939 154 D HN 0.621 nan 8.370 nan 0.000 0.481 155 S N -0.597 115.119 115.700 0.026 0.000 2.412 155 S HA 0.059 4.525 4.470 -0.006 0.000 0.223 155 S C 2.065 176.681 174.600 0.027 0.000 1.048 155 S CA 0.112 58.329 58.200 0.028 0.000 0.954 155 S CB -0.318 62.900 63.200 0.031 0.000 0.840 155 S HN 0.167 nan 8.310 nan 0.000 0.503 156 L N 0.935 122.175 121.223 0.028 0.000 2.354 156 L HA 0.354 4.691 4.340 -0.006 0.000 0.212 156 L C 0.104 176.993 176.870 0.031 0.000 1.091 156 L CA 0.205 55.064 54.840 0.031 0.000 0.828 156 L CB 0.374 42.455 42.059 0.036 0.000 0.973 156 L HN 0.189 nan 8.230 nan 0.000 0.461 157 V N 0.680 120.611 119.914 0.029 0.000 2.575 157 V HA 0.227 4.344 4.120 -0.006 0.000 0.281 157 V C -2.396 173.710 176.094 0.021 0.000 1.087 157 V CA -1.178 61.140 62.300 0.029 0.000 1.193 157 V CB 0.294 32.139 31.823 0.037 0.000 1.426 157 V HN 0.004 nan 8.190 nan 0.000 0.623 158 P HA 0.206 nan 4.420 nan 0.000 0.265 158 P C -0.326 176.974 177.300 0.001 0.000 1.193 158 P CA 0.476 63.580 63.100 0.007 0.000 0.765 158 P CB 1.361 33.064 31.700 0.005 0.000 0.823 159 I N 1.776 122.341 120.570 -0.008 0.000 2.460 159 I HA 0.476 4.642 4.170 -0.006 0.000 0.298 159 I C 1.154 177.251 176.117 -0.034 0.000 0.989 159 I CA -0.522 60.768 61.300 -0.016 0.000 1.173 159 I CB 1.826 39.817 38.000 -0.015 0.000 1.338 159 I HN 0.317 nan 8.210 nan 0.000 0.456 160 G N 4.270 113.051 108.800 -0.032 0.000 2.441 160 G HA2 0.514 4.470 3.960 -0.006 0.000 0.334 160 G HA3 0.514 4.470 3.960 -0.006 0.000 0.334 160 G C -0.528 174.341 174.900 -0.051 0.000 1.161 160 G CA -0.825 44.247 45.100 -0.046 0.000 0.935 160 G HN 0.529 nan 8.290 nan 0.000 0.488 161 R N 0.212 120.666 120.500 -0.076 0.000 2.351 161 R HA 0.409 4.746 4.340 -0.006 0.000 0.318 161 R C 1.103 177.403 176.300 -0.000 0.000 1.055 161 R CA 0.998 57.061 56.100 -0.062 0.000 0.968 161 R CB 0.781 30.994 30.300 -0.145 0.000 0.974 161 R HN 1.065 nan 8.270 nan 0.000 0.439 162 G N 1.907 110.718 108.800 0.018 0.000 2.201 162 G HA2 -0.276 3.681 3.960 -0.006 0.000 0.212 162 G HA3 -0.276 3.681 3.960 -0.006 0.000 0.212 162 G C 0.159 175.070 174.900 0.017 0.000 0.994 162 G CA -0.120 44.998 45.100 0.030 0.000 0.644 162 G HN 0.580 nan 8.290 nan 0.000 0.508 163 Q N 0.119 119.923 119.800 0.007 0.000 2.312 163 Q HA 0.679 5.015 4.340 -0.006 0.000 0.236 163 Q C -0.109 175.898 176.000 0.012 0.000 0.965 163 Q CA -0.429 55.378 55.803 0.007 0.000 0.894 163 Q CB 0.437 29.175 28.738 -0.000 0.000 1.225 163 Q HN 0.286 nan 8.270 nan 0.000 0.478 164 R N 1.987 122.496 120.500 0.016 0.000 2.393 164 R HA 0.321 4.657 4.340 -0.006 0.000 0.315 164 R C -1.465 174.846 176.300 0.018 0.000 0.952 164 R CA -0.510 55.602 56.100 0.021 0.000 0.842 164 R CB 1.641 31.955 30.300 0.023 0.000 1.163 164 R HN 0.475 nan 8.270 nan 0.000 0.450 165 E N 2.850 123.060 120.200 0.018 0.000 2.220 165 E HA 0.250 4.597 4.350 -0.006 0.000 0.256 165 E C -1.402 175.212 176.600 0.024 0.000 0.881 165 E CA -0.898 55.514 56.400 0.021 0.000 0.766 165 E CB 0.880 30.591 29.700 0.018 0.000 1.187 165 E HN 0.367 nan 8.360 nan 0.000 0.419 166 L N 5.315 126.554 121.223 0.027 0.000 2.453 166 L HA 0.366 4.703 4.340 -0.006 0.000 0.272 166 L C -0.823 176.073 176.870 0.043 0.000 1.182 166 L CA 0.491 55.348 54.840 0.028 0.000 0.858 166 L CB 0.317 42.393 42.059 0.028 0.000 1.120 166 L HN 0.647 nan 8.230 nan 0.000 0.474 167 I N 6.897 127.490 120.570 0.039 0.000 2.339 167 I HA 0.415 4.582 4.170 -0.006 0.000 0.290 167 I C -0.345 175.806 176.117 0.057 0.000 0.994 167 I CA -0.226 61.102 61.300 0.047 0.000 1.191 167 I CB 1.319 39.338 38.000 0.033 0.000 1.343 167 I HN 0.557 nan 8.210 nan 0.000 0.458 168 I N 5.328 125.955 120.570 0.094 0.000 2.656 168 I HA 0.852 5.018 4.170 -0.006 0.000 0.292 168 I C -0.467 175.738 176.117 0.147 0.000 1.144 168 I CA 0.020 61.406 61.300 0.144 0.000 1.038 168 I CB 2.018 40.139 38.000 0.201 0.000 1.244 168 I HN 0.720 nan 8.210 nan 0.000 0.420 169 G N 5.130 113.987 108.800 0.095 0.000 2.316 169 G HA2 0.153 4.110 3.960 -0.006 0.000 0.296 169 G HA3 0.153 4.110 3.960 -0.006 0.000 0.296 169 G C -1.857 173.039 174.900 -0.007 0.000 1.399 169 G CA -0.805 44.284 45.100 -0.018 0.000 0.833 169 G HN 0.501 nan 8.290 nan 0.000 0.565 170 D N 0.161 120.536 120.400 -0.041 0.000 2.352 170 D HA 0.302 4.939 4.640 -0.006 0.000 0.238 170 D C 1.303 177.558 176.300 -0.074 0.000 1.286 170 D CA 0.080 54.063 54.000 -0.028 0.000 0.923 170 D CB 0.396 41.177 40.800 -0.031 0.000 1.146 170 D HN 0.720 nan 8.370 nan 0.000 0.471 171 R N 0.265 120.733 120.500 -0.053 0.000 2.698 171 R HA -0.002 4.335 4.340 -0.006 0.000 0.266 171 R C -0.128 176.081 176.300 -0.152 0.000 1.026 171 R CA -0.198 55.860 56.100 -0.069 0.000 1.102 171 R CB 0.079 30.361 30.300 -0.031 0.000 0.978 171 R HN 0.183 nan 8.270 nan 0.000 0.436 172 Q N 0.372 120.066 119.800 -0.177 0.000 2.460 172 Q HA -0.150 4.187 4.340 -0.006 0.000 0.311 172 Q C 0.004 175.583 176.000 -0.702 0.000 1.396 172 Q CA 1.627 57.248 55.803 -0.303 0.000 0.838 172 Q CB -1.682 26.935 28.738 -0.202 0.000 1.140 172 Q HN 1.030 nan 8.270 nan 0.000 0.415 173 T N -5.115 109.087 114.554 -0.587 0.000 3.040 173 T HA 0.454 4.800 4.350 -0.006 0.000 0.266 173 T C 1.083 175.559 174.700 -0.372 0.000 1.005 173 T CA 0.747 62.401 62.100 -0.743 0.000 0.906 173 T CB 1.086 69.726 68.868 -0.381 0.000 1.082 173 T HN 0.936 nan 8.240 nan 0.000 0.531 174 G N 1.822 110.501 108.800 -0.201 0.000 2.141 174 G HA2 -0.230 3.727 3.960 -0.006 0.000 0.195 174 G HA3 -0.230 3.727 3.960 -0.006 0.000 0.195 174 G C 0.665 175.568 174.900 0.005 0.000 1.012 174 G CA 0.235 45.353 45.100 0.031 0.000 0.696 174 G HN 0.504 nan 8.290 nan 0.000 0.508 175 K N -0.474 119.909 120.400 -0.028 0.000 2.001 175 K HA -0.045 4.271 4.320 -0.006 0.000 0.208 175 K C 2.591 179.210 176.600 0.032 0.000 1.048 175 K CA 1.836 58.121 56.287 -0.002 0.000 0.932 175 K CB -0.331 32.164 32.500 -0.009 0.000 0.715 175 K HN 0.289 nan 8.250 nan 0.000 0.437 176 T N 1.070 115.653 114.554 0.048 0.000 2.759 176 T HA -0.115 4.231 4.350 -0.006 0.000 0.269 176 T C 2.071 176.807 174.700 0.060 0.000 1.042 176 T CA 1.483 63.636 62.100 0.088 0.000 1.140 176 T CB -0.190 68.740 68.868 0.104 0.000 0.864 176 T HN 0.142 nan 8.240 nan 0.000 0.455 177 S N 0.998 116.717 115.700 0.032 0.000 2.383 177 S HA -0.043 4.423 4.470 -0.006 0.000 0.229 177 S C 2.015 176.615 174.600 -0.001 0.000 1.030 177 S CA 0.683 58.882 58.200 -0.002 0.000 1.002 177 S CB -0.336 62.843 63.200 -0.035 0.000 0.829 177 S HN 0.369 nan 8.310 nan 0.000 0.467 178 I N 1.863 122.443 120.570 0.016 0.000 2.179 178 I HA -0.191 3.976 4.170 -0.006 0.000 0.242 178 I C 2.738 178.874 176.117 0.033 0.000 1.088 178 I CA 1.401 62.712 61.300 0.019 0.000 1.357 178 I CB -1.668 36.346 38.000 0.023 0.000 1.051 178 I HN 0.249 nan 8.210 nan 0.000 0.409 179 A N 1.260 124.111 122.820 0.052 0.000 1.902 179 A HA -0.170 4.146 4.320 -0.006 0.000 0.217 179 A C 2.178 179.802 177.584 0.067 0.000 1.181 179 A CA 1.371 53.453 52.037 0.074 0.000 0.623 179 A CB -0.521 18.558 19.000 0.132 0.000 0.818 179 A HN 0.289 nan 8.150 nan 0.000 0.443 180 I N 0.463 121.062 120.570 0.048 0.000 2.252 180 I HA -0.156 4.010 4.170 -0.006 0.000 0.245 180 I C 1.662 177.823 176.117 0.074 0.000 1.102 180 I CA 1.411 62.736 61.300 0.042 0.000 1.385 180 I CB -1.721 36.314 38.000 0.059 0.000 1.064 180 I HN 0.221 nan 8.210 nan 0.000 0.414 181 D N 0.594 121.028 120.400 0.056 0.000 2.218 181 D HA -0.116 4.520 4.640 -0.006 0.000 0.204 181 D C 2.181 178.520 176.300 0.064 0.000 0.976 181 D CA 1.209 55.242 54.000 0.055 0.000 0.853 181 D CB -0.091 40.711 40.800 0.004 0.000 0.939 181 D HN 0.263 nan 8.370 nan 0.000 0.481 182 T N 0.360 114.949 114.554 0.058 0.000 2.812 182 T HA -0.009 4.338 4.350 -0.006 0.000 0.264 182 T C 2.171 176.922 174.700 0.085 0.000 1.042 182 T CA 0.403 62.540 62.100 0.061 0.000 1.140 182 T CB -0.015 68.878 68.868 0.042 0.000 0.870 182 T HN 0.149 nan 8.240 nan 0.000 0.445 183 I N 0.740 121.371 120.570 0.101 0.000 2.113 183 I HA -0.134 4.033 4.170 -0.006 0.000 0.238 183 I C 2.302 178.558 176.117 0.232 0.000 1.070 183 I CA 1.387 62.783 61.300 0.161 0.000 1.332 183 I CB -0.370 37.706 38.000 0.127 0.000 1.044 183 I HN 0.191 nan 8.210 nan 0.000 0.402 184 I N 0.906 121.574 120.570 0.164 0.000 2.248 184 I HA -0.359 3.807 4.170 -0.006 0.000 0.248 184 I C 2.285 178.498 176.117 0.160 0.000 1.107 184 I CA 1.628 63.026 61.300 0.162 0.000 1.373 184 I CB -0.619 37.451 38.000 0.117 0.000 1.055 184 I HN 0.363 nan 8.210 nan 0.000 0.418 185 N N 0.757 119.530 118.700 0.123 0.000 2.137 185 N HA -0.236 4.501 4.740 -0.006 0.000 0.190 185 N C 1.794 177.371 175.510 0.111 0.000 1.017 185 N CA 1.372 54.480 53.050 0.098 0.000 0.859 185 N CB -0.005 38.549 38.487 0.111 0.000 1.002 185 N HN 0.252 nan 8.380 nan 0.000 0.428 186 Q N 0.424 120.298 119.800 0.123 0.000 2.364 186 Q HA -0.093 4.243 4.340 -0.006 0.000 0.207 186 Q C 1.697 177.641 176.000 -0.094 0.000 0.970 186 Q CA 0.607 56.451 55.803 0.068 0.000 0.888 186 Q CB -0.272 28.322 28.738 -0.241 0.000 0.951 186 Q HN 0.535 nan 8.270 nan 0.000 0.469 187 K N 1.536 121.929 120.400 -0.012 0.000 2.089 187 K HA -0.222 4.095 4.320 -0.006 0.000 0.210 187 K C 2.022 178.568 176.600 -0.090 0.000 1.048 187 K CA 1.674 57.985 56.287 0.040 0.000 0.926 187 K CB 0.026 32.618 32.500 0.153 0.000 0.714 187 K HN 0.281 nan 8.250 nan 0.000 0.448 188 R N -0.681 119.691 120.500 -0.212 0.000 2.105 188 R HA -0.148 4.189 4.340 -0.006 0.000 0.239 188 R C 1.981 178.033 176.300 -0.414 0.000 1.135 188 R CA 1.834 57.709 56.100 -0.376 0.000 0.967 188 R CB -0.712 29.242 30.300 -0.575 0.000 0.861 188 R HN 0.168 nan 8.270 nan 0.000 0.442 189 F N 1.365 121.232 119.950 -0.138 0.000 2.219 189 F HA 0.119 4.642 4.527 -0.006 0.000 0.294 189 F C 1.846 177.538 175.800 -0.181 0.000 1.086 189 F CA 0.414 58.321 58.000 -0.154 0.000 1.330 189 F CB -0.284 38.605 39.000 -0.185 0.000 1.047 189 F HN -0.042 nan 8.300 nan 0.000 0.495 190 N N 0.047 118.707 118.700 -0.068 0.000 2.459 190 N HA -0.114 4.623 4.740 -0.006 0.000 0.181 190 N C 0.986 176.456 175.510 -0.068 0.000 1.046 190 N CA 0.970 53.917 53.050 -0.171 0.000 0.904 190 N CB -0.380 37.855 38.487 -0.418 0.000 0.964 190 N HN 0.225 nan 8.380 nan 0.000 0.444 191 D N -0.254 120.119 120.400 -0.044 0.000 2.271 191 D HA 0.072 4.709 4.640 -0.006 0.000 0.206 191 D C 1.291 177.578 176.300 -0.022 0.000 0.967 191 D CA 0.305 54.294 54.000 -0.018 0.000 0.867 191 D CB -0.170 40.619 40.800 -0.018 0.000 0.960 191 D HN 0.135 nan 8.370 nan 0.000 0.509 192 G N -0.109 108.672 108.800 -0.032 0.000 2.583 192 G HA2 0.193 4.149 3.960 -0.006 0.000 0.275 192 G HA3 0.193 4.149 3.960 -0.006 0.000 0.275 192 G C 1.078 175.976 174.900 -0.003 0.000 1.342 192 G CA 0.613 45.701 45.100 -0.020 0.000 1.030 192 G HN 0.165 nan 8.290 nan 0.000 0.520 193 T N -2.320 112.236 114.554 0.003 0.000 3.023 193 T HA 0.072 4.419 4.350 -0.006 0.000 0.249 193 T C 0.783 175.494 174.700 0.018 0.000 1.050 193 T CA 0.325 62.432 62.100 0.012 0.000 1.088 193 T CB 0.059 68.933 68.868 0.010 0.000 0.946 193 T HN 0.372 nan 8.240 nan 0.000 0.480 194 D N 2.611 123.023 120.400 0.020 0.000 2.383 194 D HA 0.002 4.639 4.640 -0.006 0.000 0.275 194 D C 1.139 177.455 176.300 0.027 0.000 1.344 194 D CA 0.125 54.141 54.000 0.026 0.000 0.984 194 D CB 0.434 41.254 40.800 0.033 0.000 1.104 194 D HN 0.162 nan 8.370 nan 0.000 0.524 195 E N 3.139 123.359 120.200 0.034 0.000 2.208 195 E HA -0.123 4.224 4.350 -0.006 0.000 0.193 195 E C 1.453 178.092 176.600 0.066 0.000 0.988 195 E CA 0.652 57.080 56.400 0.047 0.000 0.828 195 E CB 0.210 29.948 29.700 0.063 0.000 0.763 195 E HN 0.580 nan 8.360 nan 0.000 0.478 196 K N 0.585 121.023 120.400 0.064 0.000 2.097 196 K HA -0.069 4.247 4.320 -0.006 0.000 0.205 196 K C 1.921 178.520 176.600 -0.002 0.000 1.050 196 K CA 0.809 57.151 56.287 0.090 0.000 0.938 196 K CB 0.022 32.556 32.500 0.056 0.000 0.718 196 K HN -0.049 nan 8.250 nan 0.000 0.442 197 K N 1.075 121.447 120.400 -0.046 0.000 2.487 197 K HA 0.034 4.350 4.320 -0.006 0.000 0.192 197 K C 0.122 176.599 176.600 -0.205 0.000 1.027 197 K CA 0.273 56.469 56.287 -0.150 0.000 1.054 197 K CB 0.268 32.769 32.500 0.002 0.000 0.824 197 K HN 0.089 nan 8.250 nan 0.000 0.510 198 K N 1.259 121.584 120.400 -0.124 0.000 2.237 198 K HA 0.169 4.486 4.320 -0.006 0.000 0.270 198 K C -0.651 175.768 176.600 -0.301 0.000 1.015 198 K CA -0.325 55.825 56.287 -0.230 0.000 0.949 198 K CB 0.785 33.119 32.500 -0.277 0.000 0.976 198 K HN -0.141 nan 8.250 nan 0.000 0.472 199 L N 3.640 124.600 121.223 -0.439 0.000 2.446 199 L HA 0.300 4.637 4.340 -0.006 0.000 0.268 199 L C -1.599 174.996 176.870 -0.458 0.000 0.975 199 L CA -0.428 54.198 54.840 -0.357 0.000 0.848 199 L CB 0.791 42.678 42.059 -0.286 0.000 1.225 199 L HN 0.442 nan 8.230 nan 0.000 0.410 200 Y N 3.116 123.251 120.300 -0.275 0.000 2.304 200 Y HA 0.504 5.051 4.550 -0.006 0.000 0.327 200 Y C 0.454 176.229 175.900 -0.210 0.000 1.209 200 Y CA -0.095 57.814 58.100 -0.318 0.000 1.299 200 Y CB 1.031 39.020 38.460 -0.786 0.000 1.249 200 Y HN 0.507 nan 8.280 nan 0.000 0.519 201 C N 3.968 123.336 119.300 0.114 0.000 2.507 201 C HA 0.719 5.176 4.460 -0.006 0.000 0.319 201 C C -0.356 174.689 174.990 0.092 0.000 1.208 201 C CA -1.114 57.967 59.018 0.106 0.000 1.619 201 C CB 0.214 28.075 27.740 0.201 0.000 2.230 201 C HN 0.628 nan 8.230 nan 0.000 0.492 202 I N 2.503 123.106 120.570 0.054 0.000 2.478 202 I HA 0.301 4.468 4.170 -0.006 0.000 0.287 202 I C -1.042 175.096 176.117 0.035 0.000 1.042 202 I CA -0.428 60.901 61.300 0.048 0.000 1.067 202 I CB 1.141 39.152 38.000 0.019 0.000 1.233 202 I HN 0.610 nan 8.210 nan 0.000 0.431 203 Y N 6.973 127.244 120.300 -0.048 0.000 2.334 203 Y HA 0.662 5.209 4.550 -0.005 0.000 0.336 203 Y C -0.937 174.934 175.900 -0.049 0.000 0.960 203 Y CA -0.796 57.268 58.100 -0.060 0.000 1.164 203 Y CB 1.264 39.706 38.460 -0.029 0.000 1.155 203 Y HN 0.282 nan 8.280 nan 0.000 0.478 204 V N 6.412 126.005 119.914 -0.535 0.000 2.350 204 V HA 0.645 4.761 4.120 -0.006 0.000 0.276 204 V C -0.039 175.745 176.094 -0.517 0.000 1.028 204 V CA -0.674 61.414 62.300 -0.353 0.000 0.860 204 V CB 0.864 32.584 31.823 -0.171 0.000 0.990 204 V HN 0.922 nan 8.190 nan 0.000 0.453 205 A N 6.910 129.566 122.820 -0.274 0.000 2.252 205 A HA 0.841 5.158 4.320 -0.006 0.000 0.309 205 A C -0.614 176.942 177.584 -0.047 0.000 1.285 205 A CA -0.286 51.667 52.037 -0.140 0.000 0.900 205 A CB -0.015 19.047 19.000 0.103 0.000 1.157 205 A HN 0.760 nan 8.150 nan 0.000 0.536 206 I N 2.249 122.795 120.570 -0.040 0.000 2.410 206 I HA 0.569 4.736 4.170 -0.006 0.000 0.286 206 I C 1.138 177.277 176.117 0.036 0.000 1.009 206 I CA 0.478 61.782 61.300 0.007 0.000 1.111 206 I CB 1.706 39.705 38.000 -0.002 0.000 1.262 206 I HN 0.952 nan 8.210 nan 0.000 0.443 207 G N 3.605 112.438 108.800 0.055 0.000 2.234 207 G HA2 -0.260 3.696 3.960 -0.006 0.000 0.260 207 G HA3 -0.260 3.696 3.960 -0.006 0.000 0.260 207 G C 0.476 175.411 174.900 0.059 0.000 0.987 207 G CA -0.145 44.992 45.100 0.062 0.000 0.625 207 G HN 0.582 nan 8.290 nan 0.000 0.532 208 Q N 0.521 120.357 119.800 0.061 0.000 2.614 208 Q HA 0.339 4.676 4.340 -0.006 0.000 0.244 208 Q C 0.441 176.479 176.000 0.062 0.000 1.097 208 Q CA 0.346 56.190 55.803 0.068 0.000 0.986 208 Q CB 0.352 29.147 28.738 0.094 0.000 1.308 208 Q HN 0.465 nan 8.270 nan 0.000 0.546 209 K N 1.140 121.575 120.400 0.059 0.000 2.350 209 K HA 0.010 4.326 4.320 -0.006 0.000 0.279 209 K C 0.894 177.525 176.600 0.053 0.000 1.027 209 K CA -0.057 56.260 56.287 0.050 0.000 0.969 209 K CB 0.609 33.134 32.500 0.043 0.000 0.954 209 K HN 0.461 nan 8.250 nan 0.000 0.474 210 R N 1.687 122.214 120.500 0.046 0.000 2.127 210 R HA -0.183 4.154 4.340 -0.006 0.000 0.238 210 R C 1.974 178.296 176.300 0.036 0.000 1.134 210 R CA 2.150 58.276 56.100 0.044 0.000 0.975 210 R CB -0.060 30.262 30.300 0.037 0.000 0.865 210 R HN 0.827 nan 8.270 nan 0.000 0.447 211 S N -1.031 114.687 115.700 0.031 0.000 2.383 211 S HA -0.109 4.358 4.470 -0.006 0.000 0.227 211 S C 1.874 176.488 174.600 0.023 0.000 1.026 211 S CA 1.599 59.813 58.200 0.023 0.000 0.981 211 S CB -0.444 62.769 63.200 0.021 0.000 0.818 211 S HN 0.282 nan 8.310 nan 0.000 0.472 212 T N 2.313 116.888 114.554 0.034 0.000 2.746 212 T HA -0.028 4.318 4.350 -0.006 0.000 0.267 212 T C 1.887 176.604 174.700 0.030 0.000 1.039 212 T CA 1.528 63.650 62.100 0.036 0.000 1.142 212 T CB -0.555 68.346 68.868 0.054 0.000 0.866 212 T HN 0.318 nan 8.240 nan 0.000 0.444 213 V N 1.594 121.537 119.914 0.049 0.000 2.358 213 V HA -0.098 4.019 4.120 -0.006 0.000 0.246 213 V C 2.887 178.987 176.094 0.009 0.000 1.047 213 V CA 1.528 63.859 62.300 0.052 0.000 1.035 213 V CB -1.218 30.664 31.823 0.098 0.000 0.658 213 V HN 0.506 nan 8.190 nan 0.000 0.452 214 A N -0.633 122.194 122.820 0.011 0.000 1.933 214 A HA -0.304 4.013 4.320 -0.006 0.000 0.218 214 A C 2.179 179.748 177.584 -0.024 0.000 1.175 214 A CA 2.053 54.088 52.037 -0.004 0.000 0.628 214 A CB -0.500 18.501 19.000 0.002 0.000 0.814 214 A HN 0.610 nan 8.150 nan 0.000 0.444 215 Q N -0.915 118.872 119.800 -0.022 0.000 2.167 215 Q HA -0.030 4.306 4.340 -0.006 0.000 0.202 215 Q C 2.081 178.043 176.000 -0.063 0.000 0.970 215 Q CA 0.985 56.767 55.803 -0.035 0.000 0.855 215 Q CB -0.172 28.556 28.738 -0.017 0.000 0.911 215 Q HN 0.647 nan 8.270 nan 0.000 0.438 216 L N 0.680 121.859 121.223 -0.074 0.000 2.044 216 L HA -0.096 4.241 4.340 -0.006 0.000 0.205 216 L C 2.312 179.096 176.870 -0.144 0.000 1.075 216 L CA 1.647 56.408 54.840 -0.131 0.000 0.747 216 L CB -0.703 41.230 42.059 -0.209 0.000 0.903 216 L HN 0.281 nan 8.230 nan 0.000 0.435 217 V N -1.019 118.828 119.914 -0.111 0.000 2.626 217 V HA -0.226 3.890 4.120 -0.006 0.000 0.252 217 V C 2.605 178.641 176.094 -0.096 0.000 1.067 217 V CA 1.935 64.175 62.300 -0.099 0.000 1.081 217 V CB -0.658 31.128 31.823 -0.060 0.000 0.686 217 V HN 0.426 nan 8.190 nan 0.000 0.468 218 K N 1.545 121.893 120.400 -0.087 0.000 2.009 218 K HA -0.204 4.113 4.320 -0.006 0.000 0.210 218 K C 2.337 178.864 176.600 -0.122 0.000 1.049 218 K CA 2.309 58.542 56.287 -0.090 0.000 0.929 218 K CB -0.669 31.786 32.500 -0.075 0.000 0.714 218 K HN 0.467 nan 8.250 nan 0.000 0.440 219 R N 0.552 120.963 120.500 -0.147 0.000 2.091 219 R HA -0.006 4.331 4.340 -0.006 0.000 0.238 219 R C 2.102 178.293 176.300 -0.182 0.000 1.136 219 R CA 1.759 57.733 56.100 -0.209 0.000 0.959 219 R CB -0.681 29.476 30.300 -0.237 0.000 0.856 219 R HN 0.379 nan 8.270 nan 0.000 0.437 220 L N -0.676 120.455 121.223 -0.152 0.000 2.109 220 L HA -0.076 4.261 4.340 -0.006 0.000 0.207 220 L C 2.146 178.925 176.870 -0.153 0.000 1.086 220 L CA 1.613 56.363 54.840 -0.150 0.000 0.760 220 L CB -0.598 41.363 42.059 -0.162 0.000 0.910 220 L HN 0.247 nan 8.230 nan 0.000 0.437 221 T N -0.703 113.772 114.554 -0.133 0.000 2.674 221 T HA -0.182 4.165 4.350 -0.006 0.000 0.265 221 T C 1.427 176.065 174.700 -0.103 0.000 1.039 221 T CA 1.616 63.648 62.100 -0.113 0.000 1.150 221 T CB -0.290 68.525 68.868 -0.089 0.000 0.864 221 T HN 0.300 nan 8.240 nan 0.000 0.427 222 D N 1.680 122.015 120.400 -0.108 0.000 2.158 222 D HA -0.057 4.580 4.640 -0.006 0.000 0.197 222 D C 1.994 178.238 176.300 -0.094 0.000 0.995 222 D CA 1.240 55.179 54.000 -0.102 0.000 0.846 222 D CB -0.408 40.317 40.800 -0.126 0.000 0.941 222 D HN 0.457 nan 8.370 nan 0.000 0.456 223 A N 0.227 122.985 122.820 -0.104 0.000 2.238 223 A HA 0.011 4.328 4.320 -0.006 0.000 0.208 223 A C 0.457 178.004 177.584 -0.062 0.000 1.177 223 A CA 0.527 52.520 52.037 -0.072 0.000 0.804 223 A CB -0.173 18.792 19.000 -0.059 0.000 0.823 223 A HN 0.088 nan 8.150 nan 0.000 0.482 224 D N -2.494 117.854 120.400 -0.086 0.000 2.686 224 D HA -0.207 4.429 4.640 -0.006 0.000 0.235 224 D C 0.690 176.895 176.300 -0.158 0.000 1.160 224 D CA 1.010 54.954 54.000 -0.092 0.000 0.645 224 D CB -1.135 39.640 40.800 -0.042 0.000 1.039 224 D HN 0.505 nan 8.370 nan 0.000 0.423 225 A N -0.406 122.245 122.820 -0.282 0.000 2.259 225 A HA 0.192 4.508 4.320 -0.006 0.000 0.213 225 A C 1.819 178.859 177.584 -0.906 0.000 1.209 225 A CA 0.704 52.350 52.037 -0.653 0.000 0.910 225 A CB 0.004 18.829 19.000 -0.291 0.000 0.946 225 A HN 0.305 nan 8.150 nan 0.000 0.497 226 M N 1.484 120.817 119.600 -0.444 0.000 2.229 226 M HA -0.107 4.369 4.480 -0.006 0.000 0.264 226 M C 2.006 178.149 176.300 -0.262 0.000 1.063 226 M CA 1.878 56.999 55.300 -0.298 0.000 1.114 226 M CB -0.522 31.977 32.600 -0.168 0.000 1.387 226 M HN 0.510 nan 8.290 nan 0.000 0.420 227 K N -0.282 119.963 120.400 -0.258 0.000 2.211 227 K HA -0.194 4.123 4.320 -0.006 0.000 0.204 227 K C 0.530 177.145 176.600 0.025 0.000 1.047 227 K CA 1.734 57.968 56.287 -0.087 0.000 0.935 227 K CB -0.873 31.613 32.500 -0.024 0.000 0.728 227 K HN 0.593 nan 8.250 nan 0.000 0.452 228 Y N -0.000 120.333 120.300 0.056 0.000 2.720 228 Y HA 0.487 5.034 4.550 -0.006 0.000 0.277 228 Y C -0.669 175.279 175.900 0.081 0.000 1.144 228 Y CA -1.161 56.993 58.100 0.091 0.000 1.221 228 Y CB -0.015 38.450 38.460 0.007 0.000 1.163 228 Y HN -0.216 nan 8.280 nan 0.000 0.537 229 T N 2.514 117.110 114.554 0.070 0.000 2.881 229 T HA 0.586 4.933 4.350 -0.006 0.000 0.290 229 T C -0.573 174.171 174.700 0.073 0.000 1.000 229 T CA -0.438 61.705 62.100 0.071 0.000 0.978 229 T CB 1.606 70.447 68.868 -0.045 0.000 0.997 229 T HN 0.181 nan 8.240 nan 0.000 0.443 230 I N 2.509 123.139 120.570 0.100 0.000 2.359 230 I HA 0.518 4.685 4.170 -0.006 0.000 0.294 230 I C -0.430 175.742 176.117 0.091 0.000 0.987 230 I CA -0.998 60.356 61.300 0.089 0.000 1.225 230 I CB 1.614 39.678 38.000 0.108 0.000 1.366 230 I HN 0.224 nan 8.210 nan 0.000 0.466 231 V N 7.061 127.024 119.914 0.082 0.000 2.357 231 V HA 0.365 4.482 4.120 -0.006 0.000 0.284 231 V C -0.084 176.057 176.094 0.078 0.000 1.018 231 V CA -0.651 61.719 62.300 0.117 0.000 0.841 231 V CB 1.799 33.691 31.823 0.115 0.000 0.991 231 V HN 0.416 nan 8.190 nan 0.000 0.437 232 V N 3.755 123.705 119.914 0.060 0.000 2.435 232 V HA 0.599 4.716 4.120 -0.006 0.000 0.290 232 V C 0.137 176.246 176.094 0.026 0.000 1.030 232 V CA -0.219 62.096 62.300 0.025 0.000 0.881 232 V CB 1.811 33.633 31.823 -0.002 0.000 0.983 232 V HN 0.817 nan 8.190 nan 0.000 0.445 233 S N 3.315 119.034 115.700 0.032 0.000 2.779 233 S HA 0.760 5.227 4.470 -0.006 0.000 0.293 233 S C -0.417 174.207 174.600 0.040 0.000 1.150 233 S CA -0.167 58.059 58.200 0.044 0.000 1.057 233 S CB 1.071 64.309 63.200 0.062 0.000 1.021 233 S HN 1.104 nan 8.310 nan 0.000 0.485 234 A N 4.065 126.909 122.820 0.041 0.000 2.586 234 A HA 0.641 4.957 4.320 -0.006 0.000 0.320 234 A C 0.346 177.966 177.584 0.060 0.000 1.281 234 A CA -0.612 51.459 52.037 0.056 0.000 0.775 234 A CB 0.233 19.273 19.000 0.066 0.000 1.122 234 A HN 0.757 nan 8.150 nan 0.000 0.470 235 T N -1.149 113.441 114.554 0.061 0.000 2.867 235 T HA 0.607 4.953 4.350 -0.006 0.000 0.286 235 T C 1.607 176.343 174.700 0.060 0.000 1.022 235 T CA 0.084 62.220 62.100 0.060 0.000 0.933 235 T CB 0.873 69.775 68.868 0.058 0.000 1.280 235 T HN 1.084 nan 8.240 nan 0.000 0.566 236 A N 0.658 123.512 122.820 0.056 0.000 2.032 236 A HA -0.072 4.245 4.320 -0.006 0.000 0.221 236 A C 2.412 180.025 177.584 0.049 0.000 1.165 236 A CA 2.168 54.236 52.037 0.053 0.000 0.645 236 A CB -1.383 17.645 19.000 0.047 0.000 0.807 236 A HN 1.066 nan 8.150 nan 0.000 0.453 237 S N -1.001 114.727 115.700 0.047 0.000 2.535 237 S HA 0.091 4.557 4.470 -0.006 0.000 0.214 237 S C 0.023 174.652 174.600 0.048 0.000 0.980 237 S CA -0.267 57.958 58.200 0.042 0.000 0.907 237 S CB -0.126 63.095 63.200 0.035 0.000 0.790 237 S HN 0.387 nan 8.310 nan 0.000 0.510 238 D N 2.989 123.424 120.400 0.059 0.000 2.389 238 D HA 0.496 5.133 4.640 -0.006 0.000 0.247 238 D C 0.344 176.694 176.300 0.082 0.000 1.128 238 D CA 0.267 54.310 54.000 0.072 0.000 0.884 238 D CB 1.324 42.171 40.800 0.080 0.000 1.194 238 D HN 0.449 nan 8.370 nan 0.000 0.441 239 A N 1.907 124.779 122.820 0.088 0.000 2.483 239 A HA 0.345 4.662 4.320 -0.006 0.000 0.238 239 A C 1.478 179.135 177.584 0.122 0.000 1.070 239 A CA 0.374 52.463 52.037 0.086 0.000 0.770 239 A CB 0.327 19.370 19.000 0.073 0.000 1.008 239 A HN 0.643 nan 8.150 nan 0.000 0.497 240 A N 3.215 126.096 122.820 0.102 0.000 1.915 240 A HA -0.134 4.183 4.320 -0.006 0.000 0.220 240 A C -0.160 177.554 177.584 0.216 0.000 1.198 240 A CA 2.318 54.434 52.037 0.132 0.000 0.647 240 A CB -1.824 17.224 19.000 0.080 0.000 0.825 240 A HN 0.651 nan 8.150 nan 0.000 0.456 241 P HA -0.098 nan 4.420 nan 0.000 0.219 241 P C 1.349 179.005 177.300 0.593 0.000 1.146 241 P CA 0.781 64.104 63.100 0.371 0.000 0.808 241 P CB -0.112 31.671 31.700 0.138 0.000 0.779 242 L N -1.064 120.406 121.223 0.411 0.000 2.109 242 L HA -0.156 4.181 4.340 -0.006 0.000 0.207 242 L C 2.589 179.592 176.870 0.221 0.000 1.086 242 L CA 1.439 56.461 54.840 0.303 0.000 0.760 242 L CB -0.805 41.377 42.059 0.206 0.000 0.910 242 L HN -0.010 nan 8.230 nan 0.000 0.437 243 Q N -1.090 118.842 119.800 0.221 0.000 2.119 243 Q HA -0.246 4.091 4.340 -0.006 0.000 0.201 243 Q C 2.080 178.209 176.000 0.215 0.000 0.972 243 Q CA 1.833 57.742 55.803 0.176 0.000 0.847 243 Q CB -0.285 28.549 28.738 0.160 0.000 0.903 243 Q HN 0.508 nan 8.270 nan 0.000 0.433 244 Y N 1.331 121.741 120.300 0.183 0.000 2.114 244 Y HA -0.277 4.273 4.550 -0.000 0.000 0.284 244 Y C 2.030 178.091 175.900 0.267 0.000 1.143 244 Y CA 1.400 59.636 58.100 0.226 0.000 1.135 244 Y CB -0.353 38.287 38.460 0.300 0.000 0.980 244 Y HN 0.111 nan 8.280 nan 0.000 0.499 245 L N 1.224 122.539 121.223 0.154 0.000 2.046 245 L HA -0.059 4.278 4.340 -0.006 0.000 0.208 245 L C 2.528 179.394 176.870 -0.008 0.000 1.077 245 L CA 2.094 56.935 54.840 0.000 0.000 0.747 245 L CB -1.419 40.605 42.059 -0.058 0.000 0.896 245 L HN 0.339 nan 8.230 nan 0.000 0.432 246 A N 0.158 122.967 122.820 -0.019 0.000 1.927 246 A HA -0.188 4.128 4.320 -0.006 0.000 0.220 246 A C 0.103 177.638 177.584 -0.081 0.000 1.185 246 A CA 2.233 54.245 52.037 -0.041 0.000 0.639 246 A CB -2.177 16.815 19.000 -0.013 0.000 0.820 246 A HN 0.475 nan 8.150 nan 0.000 0.451 247 P HA -0.157 nan 4.420 nan 0.000 0.215 247 P C 0.953 178.088 177.300 -0.274 0.000 1.153 247 P CA 1.362 64.306 63.100 -0.260 0.000 0.853 247 P CB -0.257 31.008 31.700 -0.725 0.000 0.788 248 Y N -0.332 119.874 120.300 -0.156 0.000 2.200 248 Y HA -0.137 4.410 4.550 -0.005 0.000 0.290 248 Y C 2.659 178.512 175.900 -0.079 0.000 1.137 248 Y CA 1.308 59.320 58.100 -0.146 0.000 1.163 248 Y CB -1.341 36.978 38.460 -0.233 0.000 0.988 248 Y HN -0.087 nan 8.280 nan 0.000 0.518 249 S N 0.041 115.770 115.700 0.048 0.000 2.353 249 S HA -0.204 4.263 4.470 -0.006 0.000 0.222 249 S C 2.426 177.039 174.600 0.022 0.000 1.035 249 S CA 1.376 59.581 58.200 0.007 0.000 1.025 249 S CB -1.135 62.043 63.200 -0.036 0.000 0.902 249 S HN 0.667 nan 8.310 nan 0.000 0.440 250 G N -0.011 108.805 108.800 0.026 0.000 2.432 250 G HA2 -0.263 3.694 3.960 -0.006 0.000 0.219 250 G HA3 -0.263 3.694 3.960 -0.006 0.000 0.219 250 G C 1.704 176.646 174.900 0.070 0.000 1.135 250 G CA 1.051 46.174 45.100 0.038 0.000 0.767 250 G HN 0.592 nan 8.290 nan 0.000 0.550 251 C N 0.241 119.604 119.300 0.105 0.000 2.429 251 C HA 0.006 4.463 4.460 -0.006 0.000 0.277 251 C C 3.227 178.278 174.990 0.101 0.000 1.262 251 C CA 1.650 60.745 59.018 0.127 0.000 1.733 251 C CB -0.961 26.859 27.740 0.134 0.000 2.010 251 C HN 0.355 nan 8.230 nan 0.000 0.483 252 S N 0.571 116.318 115.700 0.078 0.000 2.353 252 S HA -0.199 4.267 4.470 -0.006 0.000 0.222 252 S C 1.763 176.404 174.600 0.069 0.000 1.035 252 S CA 2.223 60.459 58.200 0.060 0.000 1.025 252 S CB -0.409 62.810 63.200 0.031 0.000 0.902 252 S HN 0.675 nan 8.310 nan 0.000 0.440 253 M N 0.725 120.363 119.600 0.064 0.000 2.195 253 M HA -0.108 4.369 4.480 -0.006 0.000 0.260 253 M C 2.330 178.767 176.300 0.228 0.000 1.066 253 M CA 1.555 56.905 55.300 0.083 0.000 1.089 253 M CB -0.812 31.837 32.600 0.083 0.000 1.377 253 M HN 0.448 nan 8.290 nan 0.000 0.411 254 G N -0.046 108.892 108.800 0.231 0.000 2.403 254 G HA2 -0.147 3.810 3.960 -0.006 0.000 0.216 254 G HA3 -0.147 3.810 3.960 -0.006 0.000 0.216 254 G C 1.368 176.436 174.900 0.279 0.000 1.154 254 G CA 0.434 45.721 45.100 0.311 0.000 0.784 254 G HN 0.491 nan 8.290 nan 0.000 0.538 255 E N -0.546 119.751 120.200 0.161 0.000 2.204 255 E HA -0.138 4.209 4.350 -0.006 0.000 0.194 255 E C 1.934 178.567 176.600 0.055 0.000 0.989 255 E CA 0.546 57.005 56.400 0.098 0.000 0.824 255 E CB -0.234 29.507 29.700 0.068 0.000 0.756 255 E HN 0.561 nan 8.360 nan 0.000 0.477 256 Y N 0.751 120.987 120.300 -0.108 0.000 2.102 256 Y HA -0.329 4.218 4.550 -0.006 0.000 0.280 256 Y C 1.680 177.376 175.900 -0.340 0.000 1.178 256 Y CA 1.857 59.781 58.100 -0.293 0.000 1.146 256 Y CB -0.466 37.681 38.460 -0.521 0.000 0.968 256 Y HN -0.032 nan 8.280 nan 0.000 0.504 257 F N -0.265 119.588 119.950 -0.161 0.000 2.163 257 F HA -0.036 4.487 4.527 -0.006 0.000 0.297 257 F C 2.762 178.443 175.800 -0.198 0.000 1.094 257 F CA 1.513 59.360 58.000 -0.255 0.000 1.290 257 F CB -0.683 38.267 39.000 -0.082 0.000 1.017 257 F HN -0.128 nan 8.300 nan 0.000 0.483 258 R N 0.653 121.203 120.500 0.082 0.000 2.105 258 R HA -0.185 4.151 4.340 -0.006 0.000 0.239 258 R C 1.083 177.363 176.300 -0.034 0.000 1.135 258 R CA 2.107 58.220 56.100 0.023 0.000 0.967 258 R CB -0.359 29.973 30.300 0.052 0.000 0.861 258 R HN 0.203 nan 8.270 nan 0.000 0.442 259 D N -0.417 119.940 120.400 -0.072 0.000 2.346 259 D HA -0.001 4.636 4.640 -0.006 0.000 0.206 259 D C 0.262 176.491 176.300 -0.118 0.000 1.001 259 D CA 0.523 54.485 54.000 -0.064 0.000 0.871 259 D CB 0.040 40.812 40.800 -0.045 0.000 0.943 259 D HN 0.172 nan 8.370 nan 0.000 0.518 260 N N 0.429 118.993 118.700 -0.225 0.000 2.451 260 N HA 0.174 4.911 4.740 -0.006 0.000 0.264 260 N C 0.863 176.272 175.510 -0.168 0.000 1.167 260 N CA 0.153 53.055 53.050 -0.247 0.000 0.898 260 N CB 1.001 39.208 38.487 -0.467 0.000 1.176 260 N HN 0.088 nan 8.380 nan 0.000 0.507 261 G N 0.845 109.568 108.800 -0.127 0.000 2.187 261 G HA2 -0.320 3.636 3.960 -0.006 0.000 0.261 261 G HA3 -0.320 3.636 3.960 -0.006 0.000 0.261 261 G C 0.177 174.966 174.900 -0.185 0.000 1.000 261 G CA 0.639 45.664 45.100 -0.124 0.000 0.718 261 G HN 0.362 nan 8.290 nan 0.000 0.519 262 K N -0.617 119.674 120.400 -0.182 0.000 2.313 262 K HA 0.660 4.977 4.320 -0.006 0.000 0.235 262 K C -0.474 175.951 176.600 -0.292 0.000 1.035 262 K CA -1.014 55.194 56.287 -0.132 0.000 0.868 262 K CB 1.171 33.788 32.500 0.195 0.000 1.232 262 K HN 0.287 nan 8.250 nan 0.000 0.459 263 H N -0.217 118.947 119.070 0.156 0.000 2.547 263 H HA 0.535 5.087 4.556 -0.006 0.000 0.342 263 H C -0.980 174.379 175.328 0.051 0.000 1.048 263 H CA -0.694 55.393 56.048 0.064 0.000 1.204 263 H CB 1.923 31.667 29.762 -0.029 0.000 1.493 263 H HN 0.691 nan 8.280 nan 0.000 0.511 264 A N 2.915 125.812 122.820 0.128 0.000 2.423 264 A HA 0.611 4.928 4.320 -0.006 0.000 0.304 264 A C -1.364 176.230 177.584 0.017 0.000 1.104 264 A CA -0.698 51.352 52.037 0.022 0.000 0.757 264 A CB 2.027 21.045 19.000 0.031 0.000 1.313 264 A HN 0.469 nan 8.150 nan 0.000 0.423 265 L N 1.410 122.622 121.223 -0.018 0.000 2.385 265 L HA 0.823 5.160 4.340 -0.006 0.000 0.273 265 L C -1.219 175.615 176.870 -0.061 0.000 0.990 265 L CA -0.376 54.443 54.840 -0.035 0.000 0.821 265 L CB 1.405 43.443 42.059 -0.035 0.000 1.279 265 L HN 0.727 nan 8.230 nan 0.000 0.412 266 I N 5.122 125.611 120.570 -0.135 0.000 2.608 266 I HA 0.579 4.746 4.170 -0.006 0.000 0.295 266 I C -1.315 174.535 176.117 -0.444 0.000 1.049 266 I CA -0.687 60.440 61.300 -0.290 0.000 1.063 266 I CB 1.793 39.558 38.000 -0.392 0.000 1.248 266 I HN 0.650 nan 8.210 nan 0.000 0.424 267 I N 7.100 127.384 120.570 -0.476 0.000 2.436 267 I HA 0.282 4.449 4.170 -0.006 0.000 0.289 267 I C -1.413 174.340 176.117 -0.607 0.000 1.010 267 I CA -0.472 60.580 61.300 -0.414 0.000 1.098 267 I CB 1.597 39.533 38.000 -0.106 0.000 1.266 267 I HN 0.421 nan 8.210 nan 0.000 0.434 268 Y N 4.050 124.225 120.300 -0.208 0.000 2.491 268 Y HA 0.342 4.889 4.550 -0.005 0.000 0.334 268 Y C -0.168 175.589 175.900 -0.238 0.000 0.969 268 Y CA -0.694 57.252 58.100 -0.256 0.000 1.241 268 Y CB 0.759 39.068 38.460 -0.251 0.000 1.105 268 Y HN 0.404 nan 8.280 nan 0.000 0.503 269 D N 3.778 124.062 120.400 -0.195 0.000 2.438 269 D HA 0.189 4.826 4.640 -0.006 0.000 0.257 269 D C -1.381 174.869 176.300 -0.084 0.000 1.148 269 D CA -0.463 53.453 54.000 -0.140 0.000 0.902 269 D CB 0.339 41.030 40.800 -0.181 0.000 1.062 269 D HN 0.671 nan 8.370 nan 0.000 0.518 270 D N 0.391 120.774 120.400 -0.029 0.000 2.523 270 D HA 0.239 4.876 4.640 -0.006 0.000 0.236 270 D C 0.974 177.252 176.300 -0.037 0.000 1.094 270 D CA -0.758 53.228 54.000 -0.024 0.000 0.942 270 D CB 1.105 41.905 40.800 -0.001 0.000 1.447 270 D HN 0.084 nan 8.370 nan 0.000 0.479 271 L N 0.258 121.422 121.223 -0.097 0.000 2.291 271 L HA -0.062 4.274 4.340 -0.006 0.000 0.214 271 L C 1.931 178.797 176.870 -0.005 0.000 1.120 271 L CA 0.662 55.395 54.840 -0.177 0.000 0.799 271 L CB -0.400 41.309 42.059 -0.584 0.000 0.925 271 L HN 0.429 nan 8.230 nan 0.000 0.446 272 S N 0.180 115.891 115.700 0.018 0.000 2.359 272 S HA -0.191 4.275 4.470 -0.006 0.000 0.224 272 S C 1.966 176.641 174.600 0.125 0.000 1.035 272 S CA 1.409 59.660 58.200 0.085 0.000 1.018 272 S CB -0.073 63.169 63.200 0.071 0.000 0.876 272 S HN 0.390 nan 8.310 nan 0.000 0.448 273 K N 0.858 121.314 120.400 0.094 0.000 2.155 273 K HA -0.046 4.271 4.320 -0.006 0.000 0.203 273 K C 2.448 179.129 176.600 0.135 0.000 1.052 273 K CA 0.688 57.039 56.287 0.107 0.000 0.948 273 K CB -0.119 32.427 32.500 0.077 0.000 0.728 273 K HN 0.352 nan 8.250 nan 0.000 0.448 274 Q N 0.843 120.719 119.800 0.126 0.000 2.020 274 Q HA -0.171 4.166 4.340 -0.006 0.000 0.202 274 Q C 2.108 178.261 176.000 0.254 0.000 0.982 274 Q CA 1.700 57.603 55.803 0.167 0.000 0.838 274 Q CB -0.139 28.659 28.738 0.100 0.000 0.899 274 Q HN 0.307 nan 8.270 nan 0.000 0.423 275 A N 0.198 123.178 122.820 0.266 0.000 1.948 275 A HA -0.166 4.150 4.320 -0.006 0.000 0.220 275 A C 2.260 180.084 177.584 0.400 0.000 1.177 275 A CA 1.696 53.895 52.037 0.271 0.000 0.636 275 A CB -0.837 18.233 19.000 0.117 0.000 0.815 275 A HN 0.318 nan 8.150 nan 0.000 0.449 276 V N -0.217 119.895 119.914 0.329 0.000 2.233 276 V HA -0.288 3.829 4.120 -0.006 0.000 0.247 276 V C 3.092 179.299 176.094 0.189 0.000 1.050 276 V CA 2.104 64.555 62.300 0.252 0.000 1.010 276 V CB -1.373 30.555 31.823 0.174 0.000 0.637 276 V HN 0.650 nan 8.190 nan 0.000 0.444 277 A N -0.977 121.961 122.820 0.196 0.000 1.903 277 A HA -0.337 3.980 4.320 -0.006 0.000 0.219 277 A C 2.184 179.893 177.584 0.208 0.000 1.191 277 A CA 2.551 54.700 52.037 0.186 0.000 0.638 277 A CB -0.934 18.199 19.000 0.221 0.000 0.823 277 A HN 0.645 nan 8.150 nan 0.000 0.451 278 Y N 0.195 120.582 120.300 0.145 0.000 2.181 278 Y HA -0.186 4.363 4.550 -0.001 0.000 0.288 278 Y C 2.542 178.478 175.900 0.060 0.000 1.146 278 Y CA 1.973 60.129 58.100 0.092 0.000 1.164 278 Y CB -0.434 38.126 38.460 0.167 0.000 0.982 278 Y HN 0.352 nan 8.280 nan 0.000 0.515 279 R N 0.130 120.689 120.500 0.098 0.000 2.081 279 R HA -0.247 4.090 4.340 -0.006 0.000 0.235 279 R C 2.461 178.698 176.300 -0.104 0.000 1.131 279 R CA 1.880 57.965 56.100 -0.025 0.000 0.960 279 R CB -0.378 29.908 30.300 -0.024 0.000 0.856 279 R HN 0.539 nan 8.270 nan 0.000 0.436 280 Q N 0.231 120.000 119.800 -0.053 0.000 2.030 280 Q HA -0.238 4.098 4.340 -0.006 0.000 0.204 280 Q C 2.075 178.009 176.000 -0.110 0.000 0.986 280 Q CA 2.304 58.069 55.803 -0.062 0.000 0.843 280 Q CB -0.084 28.645 28.738 -0.016 0.000 0.904 280 Q HN 0.403 nan 8.270 nan 0.000 0.420 281 M N -0.262 119.248 119.600 -0.150 0.000 2.080 281 M HA -0.173 4.304 4.480 -0.006 0.000 0.260 281 M C 2.395 178.534 176.300 -0.268 0.000 1.068 281 M CA 1.695 56.867 55.300 -0.213 0.000 1.109 281 M CB -0.112 32.322 32.600 -0.276 0.000 1.342 281 M HN 0.108 nan 8.290 nan 0.000 0.405 282 S N 0.669 116.135 115.700 -0.390 0.000 2.382 282 S HA -0.054 4.412 4.470 -0.006 0.000 0.228 282 S C 1.876 176.364 174.600 -0.187 0.000 1.027 282 S CA 1.100 59.094 58.200 -0.343 0.000 0.991 282 S CB -0.405 62.542 63.200 -0.423 0.000 0.823 282 S HN 0.367 nan 8.310 nan 0.000 0.469 283 L N 0.901 122.032 121.223 -0.154 0.000 2.056 283 L HA -0.027 4.309 4.340 -0.006 0.000 0.207 283 L C 2.149 178.966 176.870 -0.088 0.000 1.078 283 L CA 0.961 55.739 54.840 -0.103 0.000 0.749 283 L CB -0.534 41.470 42.059 -0.092 0.000 0.901 283 L HN 0.282 nan 8.230 nan 0.000 0.433 284 L N -0.485 120.682 121.223 -0.095 0.000 2.191 284 L HA -0.202 4.135 4.340 -0.006 0.000 0.212 284 L C 2.217 179.040 176.870 -0.078 0.000 1.103 284 L CA 0.923 55.716 54.840 -0.079 0.000 0.769 284 L CB -0.285 41.727 42.059 -0.077 0.000 0.908 284 L HN 0.298 nan 8.230 nan 0.000 0.438 285 L N -0.479 120.686 121.223 -0.097 0.000 2.599 285 L HA 0.027 4.364 4.340 -0.006 0.000 0.230 285 L C 0.760 177.591 176.870 -0.065 0.000 1.141 285 L CA 0.204 54.994 54.840 -0.083 0.000 0.877 285 L CB -0.140 41.857 42.059 -0.103 0.000 1.009 285 L HN 0.270 nan 8.230 nan 0.000 0.447 286 R N -0.283 120.178 120.500 -0.063 0.000 3.656 286 R HA -0.132 4.205 4.340 -0.006 0.000 0.297 286 R C -0.332 175.943 176.300 -0.042 0.000 1.166 286 R CA 0.222 56.293 56.100 -0.047 0.000 0.799 286 R CB -1.726 28.552 30.300 -0.036 0.000 1.285 286 R HN 0.274 nan 8.270 nan 0.000 0.477 287 R N 1.683 122.151 120.500 -0.053 0.000 2.543 287 R HA 0.161 4.497 4.340 -0.006 0.000 0.277 287 R C -1.885 174.401 176.300 -0.025 0.000 1.074 287 R CA -1.659 54.419 56.100 -0.037 0.000 1.076 287 R CB 0.037 30.306 30.300 -0.052 0.000 0.993 287 R HN 0.003 nan 8.270 nan 0.000 0.459 288 P HA 0.080 nan 4.420 nan 0.000 0.266 288 P C -2.269 175.035 177.300 0.007 0.000 1.215 288 P CA -0.955 62.143 63.100 -0.002 0.000 0.763 288 P CB -0.109 31.594 31.700 0.005 0.000 0.806 289 P HA 0.218 nan 4.420 nan 0.000 0.275 289 P C 0.320 177.633 177.300 0.021 0.000 1.228 289 P CA 0.114 63.219 63.100 0.008 0.000 0.786 289 P CB 1.261 32.948 31.700 -0.022 0.000 0.927 290 G N 1.847 110.679 108.800 0.054 0.000 3.341 290 G HA2 0.282 4.239 3.960 -0.006 0.000 0.177 290 G HA3 0.282 4.239 3.960 -0.006 0.000 0.177 290 G C -0.490 174.410 174.900 -0.000 0.000 1.236 290 G CA -0.704 44.411 45.100 0.025 0.000 0.888 290 G HN 0.564 nan 8.290 nan 0.000 0.644 291 R N 0.878 121.322 120.500 -0.094 0.000 2.484 291 R HA 0.132 4.469 4.340 -0.006 0.000 0.293 291 R C -0.059 176.302 176.300 0.102 0.000 1.023 291 R CA 0.713 56.716 56.100 -0.162 0.000 1.037 291 R CB -0.277 29.661 30.300 -0.603 0.000 0.951 291 R HN 0.663 nan 8.270 nan 0.000 0.418 292 E N 2.883 123.144 120.200 0.102 0.000 2.539 292 E HA -0.326 4.020 4.350 -0.006 0.000 0.253 292 E C 0.253 176.812 176.600 -0.068 0.000 1.145 292 E CA 0.494 56.965 56.400 0.118 0.000 0.738 292 E CB -1.194 28.709 29.700 0.338 0.000 1.308 292 E HN 0.900 nan 8.360 nan 0.000 0.409 293 A N -2.182 120.616 122.820 -0.038 0.000 2.861 293 A HA -0.309 4.008 4.320 -0.006 0.000 0.261 293 A C 0.038 177.557 177.584 -0.109 0.000 1.351 293 A CA 1.820 53.802 52.037 -0.092 0.000 0.904 293 A CB -2.156 16.757 19.000 -0.144 0.000 1.076 293 A HN 0.483 nan 8.150 nan 0.000 0.729 294 Y N 0.388 120.766 120.300 0.130 0.000 2.301 294 Y HA 0.458 5.005 4.550 -0.005 0.000 0.328 294 Y C -1.287 174.708 175.900 0.157 0.000 1.242 294 Y CA -1.332 56.873 58.100 0.175 0.000 1.323 294 Y CB 0.598 39.254 38.460 0.327 0.000 1.266 294 Y HN 0.242 nan 8.280 nan 0.000 0.527 295 P HA 0.047 nan 4.420 nan 0.000 0.276 295 P C 0.464 177.929 177.300 0.275 0.000 1.244 295 P CA -0.126 63.097 63.100 0.206 0.000 0.801 295 P CB 1.024 32.794 31.700 0.116 0.000 1.006 296 G N 1.489 110.416 108.800 0.211 0.000 2.479 296 G HA2 -0.220 3.737 3.960 -0.006 0.000 0.220 296 G HA3 -0.220 3.737 3.960 -0.006 0.000 0.220 296 G C 0.733 175.785 174.900 0.253 0.000 1.115 296 G CA 0.646 45.876 45.100 0.217 0.000 0.757 296 G HN 0.648 nan 8.290 nan 0.000 0.560 297 D N 0.174 120.742 120.400 0.281 0.000 2.358 297 D HA 0.087 4.723 4.640 -0.006 0.000 0.224 297 D C 1.787 178.264 176.300 0.295 0.000 1.123 297 D CA -0.317 53.881 54.000 0.330 0.000 0.833 297 D CB 0.131 41.155 40.800 0.372 0.000 0.946 297 D HN 0.127 nan 8.370 nan 0.000 0.505 298 V N -0.046 120.015 119.914 0.245 0.000 2.667 298 V HA -0.103 4.014 4.120 -0.006 0.000 0.252 298 V C 1.775 177.776 176.094 -0.154 0.000 1.065 298 V CA 1.081 63.413 62.300 0.052 0.000 1.083 298 V CB -0.743 31.098 31.823 0.031 0.000 0.692 298 V HN 0.233 nan 8.190 nan 0.000 0.468 299 F N 0.023 119.899 119.950 -0.123 0.000 2.113 299 F HA -0.193 4.330 4.527 -0.007 0.000 0.297 299 F C 2.159 177.960 175.800 0.003 0.000 1.103 299 F CA 2.288 60.229 58.000 -0.099 0.000 1.248 299 F CB -0.627 38.362 39.000 -0.017 0.000 0.999 299 F HN 0.335 nan 8.300 nan 0.000 0.475 300 Y N 0.907 121.165 120.300 -0.070 0.000 2.224 300 Y HA -0.196 4.350 4.550 -0.007 0.000 0.289 300 Y C 2.167 177.933 175.900 -0.224 0.000 1.146 300 Y CA 1.560 59.569 58.100 -0.152 0.000 1.182 300 Y CB -1.016 37.478 38.460 0.056 0.000 0.983 300 Y HN 0.243 nan 8.280 nan 0.000 0.524 301 L N -0.010 121.007 121.223 -0.343 0.000 2.034 301 L HA -0.347 3.990 4.340 -0.006 0.000 0.217 301 L C 2.206 178.885 176.870 -0.318 0.000 1.077 301 L CA 2.674 57.250 54.840 -0.441 0.000 0.769 301 L CB -0.778 40.954 42.059 -0.544 0.000 0.890 301 L HN 0.428 nan 8.230 nan 0.000 0.435 302 H N -2.308 116.534 119.070 -0.380 0.000 2.486 302 H HA 0.017 4.571 4.556 -0.005 0.000 0.287 302 H C 2.338 177.401 175.328 -0.441 0.000 1.010 302 H CA 0.626 56.428 56.048 -0.410 0.000 1.324 302 H CB 0.133 29.676 29.762 -0.365 0.000 1.446 302 H HN 0.536 nan 8.280 nan 0.000 0.537 303 S N 1.801 117.216 115.700 -0.475 0.000 2.345 303 S HA -0.234 4.233 4.470 -0.006 0.000 0.220 303 S C 2.152 176.629 174.600 -0.204 0.000 1.031 303 S CA 1.162 59.092 58.200 -0.450 0.000 0.996 303 S CB -0.316 62.424 63.200 -0.768 0.000 0.882 303 S HN 0.521 nan 8.310 nan 0.000 0.445 304 R N 1.065 121.449 120.500 -0.194 0.000 2.105 304 R HA -0.031 4.306 4.340 -0.006 0.000 0.239 304 R C 2.369 178.618 176.300 -0.085 0.000 1.135 304 R CA 1.506 57.535 56.100 -0.118 0.000 0.967 304 R CB -0.961 29.180 30.300 -0.266 0.000 0.861 304 R HN 0.459 nan 8.270 nan 0.000 0.442 305 L N 1.192 122.347 121.223 -0.113 0.000 1.994 305 L HA -0.050 4.287 4.340 -0.006 0.000 0.208 305 L C 2.200 178.976 176.870 -0.156 0.000 1.071 305 L CA 1.639 56.384 54.840 -0.158 0.000 0.745 305 L CB -0.240 41.550 42.059 -0.449 0.000 0.892 305 L HN 0.241 nan 8.230 nan 0.000 0.431 306 L N -0.760 120.359 121.223 -0.173 0.000 2.395 306 L HA -0.045 4.292 4.340 -0.006 0.000 0.218 306 L C 2.381 179.233 176.870 -0.031 0.000 1.130 306 L CA 0.377 55.161 54.840 -0.093 0.000 0.826 306 L CB -0.506 41.483 42.059 -0.116 0.000 0.941 306 L HN 0.316 nan 8.230 nan 0.000 0.451 307 E N 0.460 120.638 120.200 -0.036 0.000 2.268 307 E HA -0.161 4.185 4.350 -0.006 0.000 0.195 307 E C 2.053 178.657 176.600 0.005 0.000 0.995 307 E CA 0.713 57.109 56.400 -0.006 0.000 0.836 307 E CB 0.102 29.804 29.700 0.002 0.000 0.763 307 E HN 0.502 nan 8.360 nan 0.000 0.491 308 R N 0.463 120.969 120.500 0.010 0.000 2.193 308 R HA 0.089 4.426 4.340 -0.006 0.000 0.213 308 R C 0.940 177.263 176.300 0.040 0.000 1.055 308 R CA 0.350 56.466 56.100 0.025 0.000 0.995 308 R CB 0.091 30.413 30.300 0.035 0.000 0.893 308 R HN -0.087 nan 8.270 nan 0.000 0.459 309 A N 1.455 124.304 122.820 0.048 0.000 2.444 309 A HA 0.551 4.867 4.320 -0.006 0.000 0.273 309 A C -0.173 177.430 177.584 0.031 0.000 1.136 309 A CA 0.069 52.136 52.037 0.050 0.000 0.799 309 A CB 0.187 19.222 19.000 0.059 0.000 1.081 309 A HN 0.310 nan 8.150 nan 0.000 0.509 310 A N 2.617 125.455 122.820 0.030 0.000 2.606 310 A HA 0.750 5.067 4.320 -0.006 0.000 0.293 310 A C -0.711 176.889 177.584 0.028 0.000 1.082 310 A CA -0.803 51.244 52.037 0.017 0.000 0.685 310 A CB 1.243 20.242 19.000 -0.002 0.000 1.284 310 A HN 0.796 nan 8.150 nan 0.000 0.408 311 K N 1.646 122.059 120.400 0.022 0.000 2.293 311 K HA 0.588 4.904 4.320 -0.006 0.000 0.267 311 K C -0.753 175.861 176.600 0.023 0.000 1.010 311 K CA -0.354 55.955 56.287 0.038 0.000 0.875 311 K CB 0.483 33.005 32.500 0.036 0.000 1.106 311 K HN 0.580 nan 8.250 nan 0.000 0.450 312 M N 3.303 122.926 119.600 0.038 0.000 2.249 312 M HA 0.216 4.692 4.480 -0.006 0.000 0.351 312 M C 0.174 176.521 176.300 0.078 0.000 1.180 312 M CA -0.751 54.574 55.300 0.042 0.000 1.127 312 M CB 0.230 32.871 32.600 0.070 0.000 1.546 312 M HN 0.721 nan 8.290 nan 0.000 0.461 313 N N 1.361 120.121 118.700 0.100 0.000 2.317 313 N HA 0.066 4.802 4.740 -0.006 0.000 0.245 313 N C 0.179 175.772 175.510 0.139 0.000 1.294 313 N CA -0.250 52.871 53.050 0.119 0.000 0.924 313 N CB 0.439 38.998 38.487 0.120 0.000 1.186 313 N HN 0.425 nan 8.380 nan 0.000 0.495 314 D N -0.640 119.817 120.400 0.096 0.000 2.149 314 D HA -0.136 4.500 4.640 -0.006 0.000 0.198 314 D C 1.626 177.953 176.300 0.045 0.000 0.990 314 D CA 1.734 55.772 54.000 0.063 0.000 0.839 314 D CB -0.602 40.222 40.800 0.039 0.000 0.948 314 D HN 0.718 nan 8.370 nan 0.000 0.460 315 A N -0.469 122.387 122.820 0.061 0.000 2.121 315 A HA -0.095 4.222 4.320 -0.006 0.000 0.218 315 A C 1.182 178.608 177.584 -0.265 0.000 1.154 315 A CA 0.671 52.662 52.037 -0.076 0.000 0.679 315 A CB -0.455 18.507 19.000 -0.063 0.000 0.795 315 A HN 0.157 nan 8.150 nan 0.000 0.458 316 F N -1.259 118.684 119.950 -0.012 0.000 2.772 316 F HA 0.435 4.959 4.527 -0.006 0.000 0.302 316 F C 1.586 177.367 175.800 -0.031 0.000 1.136 316 F CA 0.431 58.420 58.000 -0.019 0.000 1.322 316 F CB 0.653 39.645 39.000 -0.013 0.000 0.967 316 F HN 0.297 nan 8.300 nan 0.000 0.513 317 G N -0.357 108.477 108.800 0.057 0.000 2.254 317 G HA2 -0.122 3.835 3.960 -0.006 0.000 0.225 317 G HA3 -0.122 3.835 3.960 -0.006 0.000 0.225 317 G C 1.326 176.231 174.900 0.008 0.000 1.003 317 G CA -0.046 45.059 45.100 0.008 0.000 0.622 317 G HN 1.120 nan 8.290 nan 0.000 0.507 318 G N -0.461 108.368 108.800 0.047 0.000 2.179 318 G HA2 0.165 4.122 3.960 -0.006 0.000 0.260 318 G HA3 0.165 4.122 3.960 -0.006 0.000 0.260 318 G C 1.613 176.523 174.900 0.017 0.000 0.977 318 G CA 1.125 46.256 45.100 0.052 0.000 0.641 318 G HN 2.145 nan 8.290 nan 0.000 0.533 319 G N -0.418 108.337 108.800 -0.075 0.000 2.653 319 G HA2 0.692 4.649 3.960 -0.006 0.000 0.265 319 G HA3 0.692 4.649 3.960 -0.006 0.000 0.265 319 G C 0.317 175.201 174.900 -0.027 0.000 1.237 319 G CA 1.090 46.058 45.100 -0.221 0.000 0.946 319 G HN 1.957 nan 8.290 nan 0.000 0.522 320 S N -1.821 113.891 115.700 0.020 0.000 2.565 320 S HA 0.511 4.978 4.470 -0.006 0.000 0.274 320 S C -1.642 173.030 174.600 0.120 0.000 1.144 320 S CA -0.809 57.468 58.200 0.128 0.000 0.849 320 S CB 1.692 65.030 63.200 0.230 0.000 1.103 320 S HN 1.135 nan 8.310 nan 0.000 0.455 321 L N 1.832 123.108 121.223 0.087 0.000 2.356 321 L HA 0.776 5.113 4.340 -0.006 0.000 0.277 321 L C -0.679 176.220 176.870 0.048 0.000 0.996 321 L CA 0.237 55.122 54.840 0.076 0.000 0.822 321 L CB 1.984 44.090 42.059 0.079 0.000 1.256 321 L HN 0.931 nan 8.230 nan 0.000 0.413 322 T N 4.482 119.051 114.554 0.025 0.000 2.771 322 T HA 0.816 5.163 4.350 -0.006 0.000 0.281 322 T C -0.361 174.326 174.700 -0.021 0.000 0.982 322 T CA -0.294 61.807 62.100 0.002 0.000 0.978 322 T CB 1.340 70.198 68.868 -0.017 0.000 0.930 322 T HN 0.778 nan 8.240 nan 0.000 0.447 323 A N 3.625 126.442 122.820 -0.005 0.000 2.330 323 A HA 0.775 5.092 4.320 -0.006 0.000 0.327 323 A C -0.520 177.056 177.584 -0.014 0.000 1.155 323 A CA -0.751 51.274 52.037 -0.021 0.000 0.803 323 A CB 0.579 19.649 19.000 0.116 0.000 1.208 323 A HN 0.865 nan 8.150 nan 0.000 0.477 324 L N 4.474 125.659 121.223 -0.063 0.000 2.408 324 L HA 0.338 4.675 4.340 -0.006 0.000 0.257 324 L C -2.381 174.486 176.870 -0.005 0.000 1.053 324 L CA -1.747 53.079 54.840 -0.024 0.000 0.922 324 L CB 1.445 43.488 42.059 -0.027 0.000 1.261 324 L HN 0.488 nan 8.230 nan 0.000 0.458 325 P HA 0.152 nan 4.420 nan 0.000 0.279 325 P C -0.454 176.854 177.300 0.013 0.000 1.239 325 P CA -0.168 62.986 63.100 0.091 0.000 0.789 325 P CB 2.043 33.752 31.700 0.016 0.000 0.933 326 V N 4.879 124.792 119.914 -0.000 0.000 2.427 326 V HA 0.376 4.492 4.120 -0.006 0.000 0.286 326 V C 0.500 176.580 176.094 -0.023 0.000 1.034 326 V CA -0.540 61.758 62.300 -0.003 0.000 0.893 326 V CB 1.442 33.270 31.823 0.008 0.000 0.982 326 V HN 0.438 nan 8.190 nan 0.000 0.452 327 I N 3.525 124.094 120.570 -0.002 0.000 2.498 327 I HA 0.412 4.579 4.170 -0.006 0.000 0.290 327 I C -0.001 176.138 176.117 0.037 0.000 1.032 327 I CA -0.358 60.945 61.300 0.005 0.000 1.073 327 I CB 2.066 40.067 38.000 0.002 0.000 1.251 327 I HN 0.736 nan 8.210 nan 0.000 0.426 328 E N 5.235 125.460 120.200 0.040 0.000 2.115 328 E HA 0.317 4.664 4.350 -0.006 0.000 0.282 328 E C -0.513 176.130 176.600 0.071 0.000 0.987 328 E CA -0.342 56.087 56.400 0.049 0.000 0.797 328 E CB 1.101 30.825 29.700 0.040 0.000 1.086 328 E HN 0.685 nan 8.360 nan 0.000 0.397 329 T N 1.923 116.531 114.554 0.091 0.000 2.918 329 T HA 0.280 4.627 4.350 -0.006 0.000 0.283 329 T C 0.084 174.838 174.700 0.090 0.000 1.001 329 T CA -1.006 61.160 62.100 0.110 0.000 1.041 329 T CB 1.524 70.494 68.868 0.171 0.000 1.028 329 T HN 0.309 nan 8.240 nan 0.000 0.511 330 Q N 0.845 120.698 119.800 0.089 0.000 2.331 330 Q HA 0.503 4.840 4.340 -0.006 0.000 0.257 330 Q C 0.625 176.670 176.000 0.075 0.000 0.957 330 Q CA 0.065 55.913 55.803 0.074 0.000 0.923 330 Q CB 0.974 29.756 28.738 0.074 0.000 1.212 330 Q HN 1.204 nan 8.270 nan 0.000 0.443 331 A N 2.606 125.466 122.820 0.066 0.000 2.783 331 A HA -0.173 4.144 4.320 -0.006 0.000 0.292 331 A C 1.129 178.772 177.584 0.098 0.000 1.495 331 A CA 1.320 53.396 52.037 0.066 0.000 0.787 331 A CB -2.140 16.890 19.000 0.049 0.000 1.017 331 A HN 1.489 nan 8.150 nan 0.000 0.516 332 G N -1.173 107.716 108.800 0.149 0.000 2.168 332 G HA2 -0.223 3.733 3.960 -0.006 0.000 0.257 332 G HA3 -0.223 3.733 3.960 -0.006 0.000 0.257 332 G C -0.034 174.954 174.900 0.146 0.000 0.997 332 G CA 1.059 46.314 45.100 0.259 0.000 0.708 332 G HN 1.676 nan 8.290 nan 0.000 0.520 333 D N 0.648 121.105 120.400 0.095 0.000 2.416 333 D HA 0.357 4.993 4.640 -0.006 0.000 0.240 333 D C 1.851 178.166 176.300 0.025 0.000 1.250 333 D CA 0.323 54.350 54.000 0.046 0.000 0.967 333 D CB 0.477 41.310 40.800 0.055 0.000 1.059 333 D HN 0.573 nan 8.370 nan 0.000 0.512 334 V N 1.080 120.962 119.914 -0.053 0.000 3.380 334 V HA 0.004 4.120 4.120 -0.006 0.000 0.268 334 V C 1.753 177.827 176.094 -0.034 0.000 1.168 334 V CA 0.580 62.831 62.300 -0.080 0.000 1.156 334 V CB -0.156 31.519 31.823 -0.247 0.000 0.785 334 V HN 0.278 nan 8.190 nan 0.000 0.487 335 S N 0.503 116.195 115.700 -0.013 0.000 2.527 335 S HA 0.445 4.912 4.470 -0.006 0.000 0.222 335 S C 1.377 176.009 174.600 0.053 0.000 0.985 335 S CA 0.480 58.687 58.200 0.012 0.000 0.921 335 S CB -0.288 62.916 63.200 0.007 0.000 0.772 335 S HN 0.910 nan 8.310 nan 0.000 0.529 336 A N 0.281 123.143 122.820 0.069 0.000 2.409 336 A HA 0.268 4.585 4.320 -0.006 0.000 0.246 336 A C 0.822 178.506 177.584 0.168 0.000 1.099 336 A CA -0.044 52.064 52.037 0.119 0.000 0.789 336 A CB -0.231 18.841 19.000 0.121 0.000 1.053 336 A HN 0.511 nan 8.150 nan 0.000 0.503 337 Y N 0.070 120.395 120.300 0.042 0.000 2.089 337 Y HA -0.205 4.341 4.550 -0.007 0.000 0.282 337 Y C 1.887 177.782 175.900 -0.009 0.000 1.139 337 Y CA 1.800 59.914 58.100 0.024 0.000 1.123 337 Y CB -0.036 38.453 38.460 0.048 0.000 0.980 337 Y HN 0.502 nan 8.280 nan 0.000 0.493 338 I N 0.647 121.130 120.570 -0.145 0.000 2.202 338 I HA -0.165 4.002 4.170 -0.006 0.000 0.242 338 I C -0.598 175.478 176.117 -0.069 0.000 1.091 338 I CA 1.156 62.303 61.300 -0.254 0.000 1.368 338 I CB -2.872 34.974 38.000 -0.258 0.000 1.058 338 I HN 0.200 nan 8.210 nan 0.000 0.410 339 P HA -0.150 nan 4.420 nan 0.000 0.216 339 P C 1.790 179.104 177.300 0.024 0.000 1.153 339 P CA 2.378 65.491 63.100 0.022 0.000 0.858 339 P CB -0.233 31.491 31.700 0.040 0.000 0.789 340 T N -4.261 110.315 114.554 0.036 0.000 2.857 340 T HA -0.068 4.279 4.350 -0.006 0.000 0.266 340 T C 1.728 176.470 174.700 0.069 0.000 1.048 340 T CA 0.939 63.069 62.100 0.049 0.000 1.139 340 T CB -1.140 67.769 68.868 0.068 0.000 0.874 340 T HN -0.061 nan 8.240 nan 0.000 0.455 341 N N 1.645 120.378 118.700 0.055 0.000 2.021 341 N HA -0.105 4.631 4.740 -0.006 0.000 0.198 341 N C 1.901 177.520 175.510 0.181 0.000 1.041 341 N CA 1.557 54.693 53.050 0.144 0.000 0.862 341 N CB -0.947 37.547 38.487 0.013 0.000 1.048 341 N HN 0.342 nan 8.380 nan 0.000 0.427 342 V N 1.014 120.978 119.914 0.083 0.000 2.453 342 V HA -0.076 4.041 4.120 -0.006 0.000 0.247 342 V C 2.228 178.347 176.094 0.042 0.000 1.048 342 V CA 0.869 63.191 62.300 0.036 0.000 1.049 342 V CB -0.383 31.416 31.823 -0.040 0.000 0.672 342 V HN 0.235 nan 8.190 nan 0.000 0.457 343 I N 1.373 121.971 120.570 0.046 0.000 2.208 343 I HA -0.252 3.915 4.170 -0.006 0.000 0.245 343 I C 2.468 178.623 176.117 0.064 0.000 1.097 343 I CA 2.052 63.378 61.300 0.042 0.000 1.363 343 I CB -0.379 37.637 38.000 0.027 0.000 1.051 343 I HN 0.475 nan 8.210 nan 0.000 0.413 344 S N -0.110 115.649 115.700 0.100 0.000 2.660 344 S HA 0.098 4.565 4.470 -0.006 0.000 0.223 344 S C 1.444 176.160 174.600 0.193 0.000 0.963 344 S CA 0.363 58.641 58.200 0.130 0.000 0.932 344 S CB -0.398 62.877 63.200 0.126 0.000 0.775 344 S HN 0.454 nan 8.310 nan 0.000 0.531 345 I N 1.017 121.675 120.570 0.146 0.000 3.443 345 I HA 0.090 4.256 4.170 -0.006 0.000 0.277 345 I C 1.503 177.649 176.117 0.049 0.000 1.169 345 I CA 0.508 61.868 61.300 0.100 0.000 1.419 345 I CB -0.239 37.765 38.000 0.005 0.000 1.331 345 I HN 0.336 nan 8.210 nan 0.000 0.458 346 T N -1.501 113.073 114.554 0.033 0.000 2.732 346 T HA 0.120 4.467 4.350 -0.006 0.000 0.287 346 T C 0.132 174.849 174.700 0.030 0.000 0.993 346 T CA -0.341 61.773 62.100 0.023 0.000 0.966 346 T CB 0.614 69.491 68.868 0.016 0.000 1.047 346 T HN 0.014 nan 8.240 nan 0.000 0.527 347 D N 0.652 121.067 120.400 0.025 0.000 3.058 347 D HA 0.468 5.105 4.640 -0.006 0.000 0.272 347 D C 0.856 177.170 176.300 0.024 0.000 1.350 347 D CA 0.182 54.197 54.000 0.024 0.000 0.863 347 D CB -0.175 40.637 40.800 0.020 0.000 1.064 347 D HN 1.047 nan 8.370 nan 0.000 0.488 348 G N 1.158 109.974 108.800 0.027 0.000 2.408 348 G HA2 0.088 4.045 3.960 -0.006 0.000 0.682 348 G HA3 0.088 4.045 3.960 -0.006 0.000 0.682 348 G C -1.535 173.387 174.900 0.037 0.000 1.303 348 G CA -1.064 44.055 45.100 0.030 0.000 0.966 348 G HN 0.169 nan 8.290 nan 0.000 0.560 349 Q N -1.410 118.418 119.800 0.048 0.000 2.435 349 Q HA 0.728 5.064 4.340 -0.006 0.000 0.282 349 Q C -0.705 175.348 176.000 0.088 0.000 1.020 349 Q CA -0.679 55.163 55.803 0.066 0.000 0.820 349 Q CB 1.915 30.698 28.738 0.075 0.000 1.436 349 Q HN 0.781 nan 8.270 nan 0.000 0.395 350 I N 1.864 122.492 120.570 0.097 0.000 2.328 350 I HA 0.386 4.552 4.170 -0.006 0.000 0.287 350 I C -1.009 175.208 176.117 0.167 0.000 1.012 350 I CA -0.708 60.657 61.300 0.109 0.000 1.195 350 I CB 0.572 38.612 38.000 0.066 0.000 1.350 350 I HN 0.518 nan 8.210 nan 0.000 0.464 351 F N 8.030 127.997 119.950 0.028 0.000 2.411 351 F HA 0.518 5.041 4.527 -0.006 0.000 0.355 351 F C -0.693 175.131 175.800 0.039 0.000 1.117 351 F CA -0.702 57.316 58.000 0.030 0.000 1.139 351 F CB 0.663 39.681 39.000 0.030 0.000 1.120 351 F HN 0.204 nan 8.300 nan 0.000 0.493 352 L N 6.162 127.051 121.223 -0.556 0.000 2.287 352 L HA 0.414 4.750 4.340 -0.006 0.000 0.287 352 L C -0.124 176.259 176.870 -0.812 0.000 1.022 352 L CA -0.599 53.954 54.840 -0.479 0.000 0.814 352 L CB 1.409 43.334 42.059 -0.224 0.000 1.217 352 L HN 0.570 nan 8.230 nan 0.000 0.420 353 E N 1.230 121.117 120.200 -0.522 0.000 2.216 353 E HA 0.179 4.526 4.350 -0.006 0.000 0.279 353 E C 0.303 176.845 176.600 -0.097 0.000 0.997 353 E CA -0.316 55.870 56.400 -0.357 0.000 0.817 353 E CB 1.999 31.635 29.700 -0.106 0.000 1.096 353 E HN 0.559 nan 8.360 nan 0.000 0.393 354 T N 2.609 117.128 114.554 -0.059 0.000 2.708 354 T HA -0.206 4.141 4.350 -0.006 0.000 0.266 354 T C 1.546 176.336 174.700 0.150 0.000 1.037 354 T CA 1.379 63.502 62.100 0.038 0.000 1.146 354 T CB -0.037 68.838 68.868 0.011 0.000 0.865 354 T HN 0.574 nan 8.240 nan 0.000 0.435 355 E N 0.530 120.790 120.200 0.100 0.000 2.070 355 E HA -0.153 4.194 4.350 -0.006 0.000 0.197 355 E C 2.131 178.835 176.600 0.174 0.000 1.004 355 E CA 1.115 57.585 56.400 0.117 0.000 0.805 355 E CB -0.226 29.518 29.700 0.074 0.000 0.744 355 E HN 0.438 nan 8.360 nan 0.000 0.451 356 L N -0.241 121.066 121.223 0.140 0.000 2.093 356 L HA -0.134 4.202 4.340 -0.006 0.000 0.208 356 L C 2.426 179.385 176.870 0.148 0.000 1.085 356 L CA 0.920 55.836 54.840 0.126 0.000 0.755 356 L CB -0.406 41.706 42.059 0.089 0.000 0.904 356 L HN 0.210 nan 8.230 nan 0.000 0.435 357 F N -0.505 119.468 119.950 0.038 0.000 2.146 357 F HA -0.291 4.233 4.527 -0.005 0.000 0.298 357 F C 2.563 178.401 175.800 0.064 0.000 1.096 357 F CA 1.385 59.403 58.000 0.030 0.000 1.275 357 F CB -0.290 38.717 39.000 0.012 0.000 1.008 357 F HN -0.031 nan 8.300 nan 0.000 0.480 358 Y N 1.372 121.797 120.300 0.208 0.000 2.097 358 Y HA -0.259 4.287 4.550 -0.006 0.000 0.282 358 Y C 2.218 178.122 175.900 0.007 0.000 1.152 358 Y CA 2.151 60.320 58.100 0.114 0.000 1.136 358 Y CB -0.537 37.989 38.460 0.110 0.000 0.975 358 Y HN -0.065 nan 8.280 nan 0.000 0.498 359 K N -0.125 120.371 120.400 0.160 0.000 2.585 359 K HA 0.011 4.328 4.320 -0.006 0.000 0.194 359 K C 1.161 177.719 176.600 -0.069 0.000 1.037 359 K CA 0.697 57.014 56.287 0.050 0.000 0.964 359 K CB -0.547 32.020 32.500 0.111 0.000 0.787 359 K HN 0.641 nan 8.250 nan 0.000 0.488 360 G N 1.616 110.323 108.800 -0.154 0.000 2.147 360 G HA2 -0.267 3.690 3.960 -0.006 0.000 0.244 360 G HA3 -0.267 3.690 3.960 -0.006 0.000 0.244 360 G C 0.076 174.883 174.900 -0.154 0.000 1.005 360 G CA -0.185 44.781 45.100 -0.222 0.000 0.713 360 G HN 0.296 nan 8.290 nan 0.000 0.515 361 I N 0.978 121.495 120.570 -0.089 0.000 2.329 361 I HA 0.363 4.529 4.170 -0.006 0.000 0.295 361 I C 0.796 176.877 176.117 -0.059 0.000 1.109 361 I CA 0.060 61.333 61.300 -0.044 0.000 1.297 361 I CB 0.375 38.383 38.000 0.014 0.000 1.433 361 I HN 0.071 nan 8.210 nan 0.000 0.509 362 R N 7.432 127.884 120.500 -0.080 0.000 2.574 362 R HA 0.404 4.740 4.340 -0.006 0.000 0.288 362 R C -2.686 173.589 176.300 -0.041 0.000 1.004 362 R CA -1.801 54.254 56.100 -0.075 0.000 0.895 362 R CB 2.187 32.377 30.300 -0.183 0.000 1.191 362 R HN 0.261 nan 8.270 nan 0.000 0.444 363 P HA -0.018 nan 4.420 nan 0.000 0.268 363 P C -0.237 177.087 177.300 0.041 0.000 1.204 363 P CA 0.007 63.121 63.100 0.024 0.000 0.768 363 P CB 0.887 32.599 31.700 0.019 0.000 0.842 364 A N 4.730 127.604 122.820 0.090 0.000 2.604 364 A HA 0.128 4.445 4.320 -0.006 0.000 0.248 364 A C 0.852 178.448 177.584 0.020 0.000 1.466 364 A CA -0.296 51.794 52.037 0.087 0.000 1.222 364 A CB -1.431 17.693 19.000 0.206 0.000 0.945 364 A HN 0.504 nan 8.150 nan 0.000 0.600 365 I N 1.247 121.833 120.570 0.027 0.000 2.452 365 I HA -0.003 4.164 4.170 -0.006 0.000 0.287 365 I C 0.535 176.687 176.117 0.059 0.000 1.079 365 I CA -0.299 61.018 61.300 0.029 0.000 1.387 365 I CB 0.438 38.464 38.000 0.043 0.000 1.404 365 I HN 0.318 nan 8.210 nan 0.000 0.522 366 N N 6.779 125.531 118.700 0.087 0.000 2.415 366 N HA 0.059 4.795 4.740 -0.006 0.000 0.250 366 N C 0.757 176.361 175.510 0.155 0.000 1.127 366 N CA 0.006 53.152 53.050 0.160 0.000 0.945 366 N CB 1.358 40.036 38.487 0.318 0.000 1.196 366 N HN 0.414 nan 8.380 nan 0.000 0.499 367 V N 3.814 123.798 119.914 0.116 0.000 2.343 367 V HA -0.152 3.965 4.120 -0.006 0.000 0.247 367 V C 2.393 178.542 176.094 0.091 0.000 1.051 367 V CA 2.197 64.554 62.300 0.096 0.000 1.036 367 V CB -0.927 30.947 31.823 0.084 0.000 0.654 367 V HN 0.748 nan 8.190 nan 0.000 0.451 368 G N -0.131 108.723 108.800 0.091 0.000 2.450 368 G HA2 -0.177 3.779 3.960 -0.006 0.000 0.220 368 G HA3 -0.177 3.779 3.960 -0.006 0.000 0.220 368 G C 1.340 176.277 174.900 0.062 0.000 1.130 368 G CA 0.699 45.840 45.100 0.069 0.000 0.760 368 G HN 0.518 nan 8.290 nan 0.000 0.557 369 L N 0.757 122.034 121.223 0.090 0.000 2.628 369 L HA 0.268 4.604 4.340 -0.006 0.000 0.229 369 L C 0.286 177.204 176.870 0.081 0.000 1.137 369 L CA -0.150 54.723 54.840 0.056 0.000 0.909 369 L CB 0.294 42.363 42.059 0.017 0.000 1.137 369 L HN 0.010 nan 8.230 nan 0.000 0.470 370 S N 0.304 116.063 115.700 0.098 0.000 2.501 370 S HA 0.719 5.185 4.470 -0.006 0.000 0.301 370 S C -0.213 174.424 174.600 0.062 0.000 1.096 370 S CA -0.467 57.790 58.200 0.095 0.000 1.063 370 S CB 2.562 65.826 63.200 0.108 0.000 1.042 370 S HN -0.050 nan 8.310 nan 0.000 0.494 371 V N 1.084 121.030 119.914 0.053 0.000 3.049 371 V HA 0.720 4.836 4.120 -0.006 0.000 0.309 371 V C -0.503 175.613 176.094 0.036 0.000 1.148 371 V CA -0.892 61.431 62.300 0.039 0.000 0.990 371 V CB 2.052 33.893 31.823 0.030 0.000 1.039 371 V HN 0.736 nan 8.190 nan 0.000 0.430 372 S N 1.292 117.009 115.700 0.029 0.000 2.669 372 S HA 0.420 4.886 4.470 -0.006 0.000 0.315 372 S C 0.828 175.440 174.600 0.019 0.000 1.106 372 S CA -0.709 57.505 58.200 0.023 0.000 1.107 372 S CB 0.881 64.092 63.200 0.019 0.000 0.990 372 S HN 0.716 nan 8.310 nan 0.000 0.471 373 R N 2.457 122.969 120.500 0.019 0.000 2.152 373 R HA -0.035 4.301 4.340 -0.006 0.000 0.232 373 R C 1.541 177.850 176.300 0.014 0.000 1.117 373 R CA 1.709 57.820 56.100 0.017 0.000 0.981 373 R CB -0.237 30.074 30.300 0.019 0.000 0.870 373 R HN 0.640 nan 8.270 nan 0.000 0.451 374 V N -5.496 114.425 119.914 0.012 0.000 3.485 374 V HA 0.375 4.492 4.120 -0.006 0.000 0.280 374 V C 1.559 177.656 176.094 0.004 0.000 1.495 374 V CA 0.599 62.904 62.300 0.008 0.000 1.018 374 V CB 0.630 32.458 31.823 0.008 0.000 0.818 374 V HN 0.139 nan 8.190 nan 0.000 0.436 375 G N 0.464 109.266 108.800 0.004 0.000 2.484 375 G HA2 -0.165 3.791 3.960 -0.006 0.000 0.218 375 G HA3 -0.165 3.791 3.960 -0.006 0.000 0.218 375 G C 1.538 176.438 174.900 -0.001 0.000 1.130 375 G CA 1.138 46.237 45.100 -0.002 0.000 0.784 375 G HN 0.507 nan 8.290 nan 0.000 0.543 376 S N 0.911 116.613 115.700 0.004 0.000 2.380 376 S HA -0.155 4.312 4.470 -0.006 0.000 0.229 376 S C 2.682 177.283 174.600 0.002 0.000 1.043 376 S CA 1.847 60.051 58.200 0.006 0.000 1.038 376 S CB -0.412 62.794 63.200 0.009 0.000 0.872 376 S HN 0.554 nan 8.310 nan 0.000 0.456 377 A N 0.103 122.923 122.820 0.000 0.000 2.121 377 A HA 0.370 4.686 4.320 -0.006 0.000 0.218 377 A C 1.792 179.371 177.584 -0.009 0.000 1.154 377 A CA 1.412 53.448 52.037 -0.002 0.000 0.679 377 A CB -0.572 18.428 19.000 -0.001 0.000 0.795 377 A HN 0.724 nan 8.150 nan 0.000 0.458 378 A N -1.031 121.781 122.820 -0.014 0.000 2.610 378 A HA 0.390 4.707 4.320 -0.006 0.000 0.286 378 A C 0.492 178.060 177.584 -0.026 0.000 1.306 378 A CA -0.240 51.780 52.037 -0.028 0.000 0.942 378 A CB -0.190 18.786 19.000 -0.040 0.000 1.112 378 A HN 0.509 nan 8.150 nan 0.000 0.527 379 Q N 1.493 121.286 119.800 -0.012 0.000 2.257 379 Q HA 0.370 4.707 4.340 -0.006 0.000 0.255 379 Q C -0.061 175.938 176.000 -0.003 0.000 0.920 379 Q CA -0.429 55.371 55.803 -0.006 0.000 0.927 379 Q CB 1.020 29.761 28.738 0.004 0.000 1.229 379 Q HN 0.510 nan 8.270 nan 0.000 0.433 380 T N 0.951 115.504 114.554 -0.000 0.000 2.946 380 T HA 0.004 4.350 4.350 -0.006 0.000 0.311 380 T C 0.961 175.667 174.700 0.010 0.000 1.063 380 T CA -0.495 61.607 62.100 0.003 0.000 1.139 380 T CB 0.953 69.826 68.868 0.009 0.000 0.994 380 T HN 0.724 nan 8.240 nan 0.000 0.547 381 R N 2.800 123.305 120.500 0.009 0.000 2.117 381 R HA -0.105 4.232 4.340 -0.006 0.000 0.243 381 R C 2.440 178.751 176.300 0.019 0.000 1.143 381 R CA 2.079 58.186 56.100 0.013 0.000 0.968 381 R CB -1.356 28.950 30.300 0.010 0.000 0.863 381 R HN 0.884 nan 8.270 nan 0.000 0.444 382 A N 0.013 122.843 122.820 0.018 0.000 1.940 382 A HA -0.183 4.134 4.320 -0.006 0.000 0.219 382 A C 2.149 179.754 177.584 0.035 0.000 1.176 382 A CA 1.865 53.915 52.037 0.022 0.000 0.631 382 A CB -0.557 18.450 19.000 0.011 0.000 0.814 382 A HN 0.471 nan 8.150 nan 0.000 0.446 383 M N -0.234 119.385 119.600 0.031 0.000 2.156 383 M HA -0.014 4.463 4.480 -0.006 0.000 0.264 383 M C 1.816 178.138 176.300 0.038 0.000 1.067 383 M CA 1.751 57.073 55.300 0.037 0.000 1.131 383 M CB -0.441 32.177 32.600 0.030 0.000 1.368 383 M HN 0.336 nan 8.290 nan 0.000 0.416 384 K N -0.463 119.955 120.400 0.030 0.000 2.113 384 K HA -0.223 4.094 4.320 -0.006 0.000 0.208 384 K C 2.084 178.705 176.600 0.035 0.000 1.047 384 K CA 1.880 58.184 56.287 0.028 0.000 0.928 384 K CB -0.213 32.300 32.500 0.022 0.000 0.716 384 K HN 0.553 nan 8.250 nan 0.000 0.446 385 Q N -0.098 119.729 119.800 0.044 0.000 2.170 385 Q HA -0.128 4.209 4.340 -0.006 0.000 0.203 385 Q C 2.054 178.097 176.000 0.071 0.000 0.976 385 Q CA 1.597 57.433 55.803 0.055 0.000 0.858 385 Q CB 0.172 28.948 28.738 0.064 0.000 0.907 385 Q HN 0.316 nan 8.270 nan 0.000 0.433 386 V N -4.420 115.542 119.914 0.080 0.000 3.125 386 V HA 0.274 4.390 4.120 -0.006 0.000 0.249 386 V C 1.778 177.902 176.094 0.050 0.000 1.113 386 V CA 0.894 63.245 62.300 0.085 0.000 1.106 386 V CB -0.127 31.777 31.823 0.136 0.000 0.768 386 V HN 0.172 nan 8.190 nan 0.000 0.468 387 A N 1.473 124.319 122.820 0.043 0.000 1.935 387 A HA 0.291 4.608 4.320 -0.006 0.000 0.214 387 A C 2.269 179.867 177.584 0.024 0.000 1.178 387 A CA 1.250 53.306 52.037 0.032 0.000 0.640 387 A CB -1.164 17.855 19.000 0.032 0.000 0.825 387 A HN 0.628 nan 8.150 nan 0.000 0.447 388 G N 0.049 108.863 108.800 0.023 0.000 2.450 388 G HA2 -0.226 3.730 3.960 -0.006 0.000 0.220 388 G HA3 -0.226 3.730 3.960 -0.006 0.000 0.220 388 G C 1.647 176.555 174.900 0.013 0.000 1.130 388 G CA 2.019 47.130 45.100 0.019 0.000 0.760 388 G HN 0.661 nan 8.290 nan 0.000 0.557 389 T N -2.332 112.228 114.554 0.009 0.000 3.054 389 T HA 0.162 4.509 4.350 -0.006 0.000 0.259 389 T C 2.247 176.943 174.700 -0.006 0.000 1.092 389 T CA 0.917 63.016 62.100 -0.001 0.000 1.121 389 T CB -0.013 68.848 68.868 -0.011 0.000 0.912 389 T HN 0.219 nan 8.240 nan 0.000 0.489 390 M N 0.954 120.553 119.600 -0.002 0.000 2.156 390 M HA 0.072 4.548 4.480 -0.006 0.000 0.264 390 M C 2.507 178.811 176.300 0.006 0.000 1.067 390 M CA 1.450 56.747 55.300 -0.005 0.000 1.131 390 M CB -0.191 32.408 32.600 0.000 0.000 1.368 390 M HN 0.180 nan 8.290 nan 0.000 0.416 391 K N 0.430 120.839 120.400 0.016 0.000 2.063 391 K HA -0.234 4.082 4.320 -0.006 0.000 0.208 391 K C 1.919 178.535 176.600 0.027 0.000 1.048 391 K CA 1.668 57.970 56.287 0.025 0.000 0.928 391 K CB -0.418 32.097 32.500 0.025 0.000 0.713 391 K HN 0.362 nan 8.250 nan 0.000 0.442 392 L N 1.922 123.156 121.223 0.019 0.000 2.017 392 L HA -0.133 4.204 4.340 -0.006 0.000 0.208 392 L C 1.878 178.762 176.870 0.024 0.000 1.073 392 L CA 1.867 56.719 54.840 0.019 0.000 0.745 392 L CB -0.406 41.659 42.059 0.010 0.000 0.894 392 L HN 0.220 nan 8.230 nan 0.000 0.432 393 E N -0.868 119.340 120.200 0.013 0.000 2.204 393 E HA -0.159 4.188 4.350 -0.006 0.000 0.194 393 E C 2.225 178.851 176.600 0.044 0.000 0.989 393 E CA 0.992 57.400 56.400 0.013 0.000 0.824 393 E CB -0.108 29.578 29.700 -0.023 0.000 0.756 393 E HN 0.500 nan 8.360 nan 0.000 0.477 394 L N -0.136 121.115 121.223 0.047 0.000 2.240 394 L HA -0.020 4.316 4.340 -0.006 0.000 0.211 394 L C 2.343 179.299 176.870 0.144 0.000 1.106 394 L CA 0.556 55.457 54.840 0.100 0.000 0.793 394 L CB -0.136 41.964 42.059 0.067 0.000 0.927 394 L HN 0.140 nan 8.230 nan 0.000 0.446 395 A N -0.461 122.412 122.820 0.088 0.000 1.929 395 A HA -0.205 4.112 4.320 -0.006 0.000 0.216 395 A C 2.149 179.774 177.584 0.069 0.000 1.176 395 A CA 1.155 53.234 52.037 0.070 0.000 0.628 395 A CB -0.309 18.718 19.000 0.045 0.000 0.816 395 A HN 0.436 nan 8.150 nan 0.000 0.444 396 Q N -2.254 117.592 119.800 0.076 0.000 2.291 396 Q HA -0.136 4.201 4.340 -0.006 0.000 0.205 396 Q C 1.750 177.812 176.000 0.103 0.000 0.970 396 Q CA 1.410 57.254 55.803 0.069 0.000 0.876 396 Q CB -0.211 28.561 28.738 0.057 0.000 0.935 396 Q HN 0.872 nan 8.270 nan 0.000 0.455 397 Y N 0.603 120.903 120.300 0.000 0.000 2.269 397 Y HA 0.020 4.567 4.550 -0.006 0.000 0.294 397 Y C 1.856 177.760 175.900 0.006 0.000 1.120 397 Y CA 1.026 59.126 58.100 0.001 0.000 1.159 397 Y CB 0.208 38.668 38.460 0.000 0.000 1.024 397 Y HN -0.187 nan 8.280 nan 0.000 0.532 398 R N 0.268 120.701 120.500 -0.111 0.000 2.148 398 R HA -0.088 4.249 4.340 -0.006 0.000 0.227 398 R C 1.790 178.006 176.300 -0.140 0.000 1.103 398 R CA 1.162 57.149 56.100 -0.189 0.000 0.983 398 R CB -0.079 30.200 30.300 -0.036 0.000 0.874 398 R HN 0.357 nan 8.270 nan 0.000 0.451 399 E N 0.374 120.528 120.200 -0.077 0.000 2.409 399 E HA -0.078 4.268 4.350 -0.006 0.000 0.198 399 E C 0.714 177.273 176.600 -0.070 0.000 1.024 399 E CA 0.952 57.320 56.400 -0.052 0.000 0.861 399 E CB 0.443 30.132 29.700 -0.019 0.000 0.788 399 E HN 0.214 nan 8.360 nan 0.000 0.521 400 V N -2.076 117.770 119.914 -0.113 0.000 2.647 400 V HA 0.597 4.714 4.120 -0.006 0.000 0.305 400 V C 0.431 176.409 176.094 -0.194 0.000 1.162 400 V CA -0.591 61.644 62.300 -0.108 0.000 1.248 400 V CB 0.177 31.968 31.823 -0.053 0.000 1.508 400 V HN -0.018 nan 8.190 nan 0.000 0.647 411 D N 0.754 121.153 120.400 -0.001 0.000 2.255 411 D HA 0.291 4.928 4.640 -0.006 0.000 0.249 411 D C 1.118 177.416 176.300 -0.002 0.000 1.078 411 D CA 0.210 54.208 54.000 -0.002 0.000 0.896 411 D CB 2.369 43.168 40.800 -0.003 0.000 1.194 411 D HN 0.056 nan 8.370 nan 0.000 0.429 412 A N 2.380 125.198 122.820 -0.005 0.000 2.032 412 A HA -0.081 4.236 4.320 -0.006 0.000 0.221 412 A C 2.116 179.696 177.584 -0.007 0.000 1.165 412 A CA 2.097 54.130 52.037 -0.007 0.000 0.645 412 A CB -0.714 18.280 19.000 -0.010 0.000 0.807 412 A HN 0.744 nan 8.150 nan 0.000 0.453 413 A N -0.422 122.394 122.820 -0.006 0.000 1.854 413 A HA -0.047 4.269 4.320 -0.006 0.000 0.214 413 A C 2.338 179.922 177.584 -0.000 0.000 1.192 413 A CA 2.244 54.278 52.037 -0.005 0.000 0.611 413 A CB -1.181 17.816 19.000 -0.005 0.000 0.832 413 A HN 0.782 nan 8.150 nan 0.000 0.442 414 T N -2.857 111.699 114.554 0.003 0.000 3.129 414 T HA 0.066 4.413 4.350 -0.006 0.000 0.251 414 T C 1.627 176.337 174.700 0.017 0.000 1.117 414 T CA 0.995 63.101 62.100 0.010 0.000 1.034 414 T CB 0.106 68.978 68.868 0.006 0.000 0.968 414 T HN 0.522 nan 8.240 nan 0.000 0.526 415 Q N 0.354 120.161 119.800 0.011 0.000 2.212 415 Q HA -0.026 4.310 4.340 -0.006 0.000 0.199 415 Q C 2.388 178.396 176.000 0.013 0.000 0.950 415 Q CA 0.774 56.585 55.803 0.013 0.000 0.863 415 Q CB -0.031 28.709 28.738 0.004 0.000 0.944 415 Q HN 0.516 nan 8.270 nan 0.000 0.465 416 Q N 0.271 120.072 119.800 0.003 0.000 2.230 416 Q HA -0.079 4.257 4.340 -0.006 0.000 0.202 416 Q C 1.668 177.670 176.000 0.004 0.000 0.963 416 Q CA 1.207 57.005 55.803 -0.009 0.000 0.866 416 Q CB -0.047 28.678 28.738 -0.022 0.000 0.931 416 Q HN 0.453 nan 8.270 nan 0.000 0.452 417 L N -0.638 120.603 121.223 0.030 0.000 2.072 417 L HA -0.109 4.228 4.340 -0.006 0.000 0.205 417 L C 2.214 179.175 176.870 0.151 0.000 1.079 417 L CA 0.809 55.691 54.840 0.069 0.000 0.752 417 L CB -0.430 41.674 42.059 0.074 0.000 0.906 417 L HN 0.247 nan 8.230 nan 0.000 0.436 418 L N -0.849 120.467 121.223 0.156 0.000 2.109 418 L HA -0.129 4.207 4.340 -0.006 0.000 0.207 418 L C 2.706 179.648 176.870 0.120 0.000 1.086 418 L CA 0.853 55.839 54.840 0.244 0.000 0.760 418 L CB -0.161 41.990 42.059 0.152 0.000 0.910 418 L HN 0.151 nan 8.230 nan 0.000 0.437 419 S N -0.645 115.078 115.700 0.038 0.000 2.368 419 S HA -0.203 4.263 4.470 -0.006 0.000 0.224 419 S C 2.020 176.577 174.600 -0.072 0.000 1.029 419 S CA 1.248 59.438 58.200 -0.017 0.000 0.988 419 S CB -0.194 62.990 63.200 -0.025 0.000 0.838 419 S HN 0.267 nan 8.310 nan 0.000 0.462 420 R N 1.543 121.994 120.500 -0.081 0.000 2.073 420 R HA 0.050 4.387 4.340 -0.006 0.000 0.229 420 R C 2.289 178.450 176.300 -0.232 0.000 1.120 420 R CA 1.695 57.717 56.100 -0.130 0.000 0.967 420 R CB -1.270 28.971 30.300 -0.098 0.000 0.862 420 R HN 0.346 nan 8.270 nan 0.000 0.436 421 G N 0.174 108.762 108.800 -0.354 0.000 2.459 421 G HA2 -0.248 3.709 3.960 -0.006 0.000 0.217 421 G HA3 -0.248 3.709 3.960 -0.006 0.000 0.217 421 G C 1.452 175.752 174.900 -0.999 0.000 1.183 421 G CA 1.517 46.034 45.100 -0.971 0.000 0.776 421 G HN 0.341 nan 8.290 nan 0.000 0.552 422 V N -0.913 118.615 119.914 -0.643 0.000 2.469 422 V HA -0.101 4.016 4.120 -0.006 0.000 0.251 422 V C 2.586 178.565 176.094 -0.192 0.000 1.064 422 V CA 2.225 64.361 62.300 -0.274 0.000 1.066 422 V CB -0.650 31.141 31.823 -0.053 0.000 0.667 422 V HN 0.312 nan 8.190 nan 0.000 0.461 423 R N -0.045 120.338 120.500 -0.194 0.000 2.075 423 R HA 0.246 4.582 4.340 -0.006 0.000 0.226 423 R C 2.372 178.595 176.300 -0.129 0.000 1.114 423 R CA 1.414 57.431 56.100 -0.139 0.000 0.972 423 R CB -0.411 29.806 30.300 -0.139 0.000 0.869 423 R HN 0.460 nan 8.270 nan 0.000 0.437 424 L N -0.082 121.042 121.223 -0.165 0.000 2.083 424 L HA -0.157 4.180 4.340 -0.006 0.000 0.209 424 L C 2.209 179.020 176.870 -0.099 0.000 1.083 424 L CA 1.293 56.060 54.840 -0.122 0.000 0.752 424 L CB -0.640 41.339 42.059 -0.133 0.000 0.899 424 L HN 0.220 nan 8.230 nan 0.000 0.433 425 T N -0.759 113.709 114.554 -0.143 0.000 2.699 425 T HA -0.185 4.161 4.350 -0.006 0.000 0.268 425 T C 1.778 176.454 174.700 -0.039 0.000 1.036 425 T CA 1.354 63.407 62.100 -0.079 0.000 1.147 425 T CB -0.147 68.674 68.868 -0.078 0.000 0.862 425 T HN 0.308 nan 8.240 nan 0.000 0.446 426 E N 0.913 121.086 120.200 -0.045 0.000 2.106 426 E HA 0.052 4.398 4.350 -0.006 0.000 0.192 426 E C 2.325 178.925 176.600 0.001 0.000 0.984 426 E CA 0.501 56.891 56.400 -0.017 0.000 0.806 426 E CB -0.407 29.284 29.700 -0.015 0.000 0.750 426 E HN 0.455 nan 8.360 nan 0.000 0.458 427 L N 0.299 121.521 121.223 -0.002 0.000 2.131 427 L HA -0.108 4.228 4.340 -0.006 0.000 0.210 427 L C 2.205 179.088 176.870 0.022 0.000 1.092 427 L CA 0.783 55.638 54.840 0.024 0.000 0.759 427 L CB -0.232 41.842 42.059 0.024 0.000 0.903 427 L HN 0.112 nan 8.230 nan 0.000 0.435 428 L N -0.931 120.297 121.223 0.007 0.000 2.558 428 L HA 0.015 4.352 4.340 -0.006 0.000 0.225 428 L C 0.832 177.705 176.870 0.005 0.000 1.128 428 L CA 0.036 54.881 54.840 0.010 0.000 0.868 428 L CB -0.235 41.829 42.059 0.009 0.000 1.006 428 L HN 0.069 nan 8.230 nan 0.000 0.454 429 K N 1.590 121.989 120.400 -0.000 0.000 2.448 429 K HA 0.154 4.471 4.320 -0.006 0.000 0.278 429 K C -0.119 176.474 176.600 -0.010 0.000 1.009 429 K CA 0.485 56.766 56.287 -0.011 0.000 0.995 429 K CB 0.586 33.078 32.500 -0.013 0.000 0.917 429 K HN 0.035 nan 8.250 nan 0.000 0.481 430 Q N 0.802 120.588 119.800 -0.025 0.000 2.320 430 Q HA 0.309 4.646 4.340 -0.006 0.000 0.272 430 Q C -0.616 175.353 176.000 -0.052 0.000 1.023 430 Q CA -0.617 55.169 55.803 -0.028 0.000 0.855 430 Q CB 1.819 30.545 28.738 -0.021 0.000 1.367 430 Q HN 0.802 nan 8.270 nan 0.000 0.406 431 G N 1.435 110.203 108.800 -0.053 0.000 2.570 431 G HA2 0.210 4.167 3.960 -0.006 0.000 0.276 431 G HA3 0.210 4.167 3.960 -0.006 0.000 0.276 431 G C -0.583 174.237 174.900 -0.133 0.000 1.346 431 G CA -0.157 44.895 45.100 -0.080 0.000 1.034 431 G HN 0.583 nan 8.290 nan 0.000 0.512 432 Q N -1.656 118.009 119.800 -0.223 0.000 2.214 432 Q HA 0.389 4.725 4.340 -0.006 0.000 0.251 432 Q C -0.605 175.167 176.000 -0.380 0.000 0.936 432 Q CA -0.587 54.915 55.803 -0.501 0.000 0.894 432 Q CB 1.254 29.411 28.738 -0.970 0.000 1.252 432 Q HN 0.619 nan 8.270 nan 0.000 0.448 433 Y N -1.262 119.037 120.300 -0.002 0.000 4.604 433 Y HA -0.274 4.273 4.550 -0.006 0.000 0.230 433 Y C 0.161 176.055 175.900 -0.009 0.000 1.066 433 Y CA 0.225 58.321 58.100 -0.007 0.000 1.990 433 Y CB -1.757 36.695 38.460 -0.013 0.000 1.619 433 Y HN 0.328 nan 8.280 nan 0.000 0.649 434 S N 1.037 116.774 115.700 0.062 0.000 2.143 434 S HA 0.245 4.711 4.470 -0.006 0.000 0.188 434 S C -2.174 172.432 174.600 0.011 0.000 1.431 434 S CA -0.936 57.285 58.200 0.035 0.000 1.253 434 S CB 0.694 63.905 63.200 0.019 0.000 1.137 434 S HN 0.105 nan 8.310 nan 0.000 0.457 435 P HA 0.228 nan 4.420 nan 0.000 0.271 435 P C -0.597 176.700 177.300 -0.005 0.000 1.216 435 P CA -0.219 62.888 63.100 0.012 0.000 0.776 435 P CB 0.563 32.282 31.700 0.031 0.000 0.881 436 M N 1.802 121.397 119.600 -0.008 0.000 2.363 436 M HA 0.484 4.961 4.480 -0.006 0.000 0.343 436 M C 0.598 176.879 176.300 -0.031 0.000 1.165 436 M CA -0.812 54.473 55.300 -0.025 0.000 1.046 436 M CB 1.718 34.305 32.600 -0.020 0.000 1.648 436 M HN 0.341 nan 8.290 nan 0.000 0.452 437 A N 1.793 124.575 122.820 -0.064 0.000 2.498 437 A HA 0.098 4.415 4.320 -0.006 0.000 0.239 437 A C 1.043 178.608 177.584 -0.032 0.000 1.068 437 A CA -0.299 51.691 52.037 -0.078 0.000 0.766 437 A CB -0.032 18.898 19.000 -0.116 0.000 1.003 437 A HN 0.976 nan 8.150 nan 0.000 0.497 438 I N 1.087 121.658 120.570 0.002 0.000 2.194 438 I HA -0.267 3.899 4.170 -0.006 0.000 0.246 438 I C 2.504 178.622 176.117 0.002 0.000 1.093 438 I CA 2.578 63.892 61.300 0.023 0.000 1.355 438 I CB -0.272 37.762 38.000 0.056 0.000 1.046 438 I HN 0.860 nan 8.210 nan 0.000 0.413 439 E N 0.533 120.721 120.200 -0.020 0.000 2.106 439 E HA -0.268 4.079 4.350 -0.006 0.000 0.192 439 E C 1.815 178.386 176.600 -0.048 0.000 0.984 439 E CA 1.648 58.028 56.400 -0.034 0.000 0.806 439 E CB -0.818 28.851 29.700 -0.051 0.000 0.750 439 E HN 0.670 nan 8.360 nan 0.000 0.458 440 E N 1.116 121.280 120.200 -0.061 0.000 2.051 440 E HA -0.199 4.147 4.350 -0.006 0.000 0.192 440 E C 2.360 178.939 176.600 -0.035 0.000 0.991 440 E CA 1.483 57.837 56.400 -0.077 0.000 0.799 440 E CB -0.166 29.483 29.700 -0.085 0.000 0.748 440 E HN 0.403 nan 8.360 nan 0.000 0.449 441 Q N 0.370 120.165 119.800 -0.008 0.000 2.096 441 Q HA -0.156 4.181 4.340 -0.006 0.000 0.204 441 Q C 2.550 178.581 176.000 0.053 0.000 0.982 441 Q CA 1.667 57.484 55.803 0.023 0.000 0.850 441 Q CB -0.279 28.473 28.738 0.024 0.000 0.901 441 Q HN 0.279 nan 8.270 nan 0.000 0.422 442 V N -0.038 119.904 119.914 0.047 0.000 2.427 442 V HA -0.143 3.973 4.120 -0.006 0.000 0.248 442 V C 2.029 178.199 176.094 0.128 0.000 1.051 442 V CA 1.823 64.171 62.300 0.080 0.000 1.048 442 V CB -0.579 31.277 31.823 0.056 0.000 0.666 442 V HN 0.335 nan 8.190 nan 0.000 0.456 443 A N 0.031 122.894 122.820 0.073 0.000 1.883 443 A HA -0.125 4.191 4.320 -0.006 0.000 0.217 443 A C 2.396 180.174 177.584 0.323 0.000 1.186 443 A CA 2.397 54.499 52.037 0.108 0.000 0.624 443 A CB -0.999 17.958 19.000 -0.073 0.000 0.822 443 A HN 0.515 nan 8.150 nan 0.000 0.444 444 V N 0.015 120.069 119.914 0.234 0.000 2.295 444 V HA -0.258 3.859 4.120 -0.006 0.000 0.246 444 V C 2.395 178.646 176.094 0.261 0.000 1.049 444 V CA 2.140 64.626 62.300 0.310 0.000 1.024 444 V CB -0.611 31.312 31.823 0.167 0.000 0.648 444 V HN 0.575 nan 8.190 nan 0.000 0.447 445 I N -1.301 119.382 120.570 0.189 0.000 2.546 445 I HA -0.222 3.945 4.170 -0.006 0.000 0.255 445 I C 2.306 178.521 176.117 0.164 0.000 1.163 445 I CA 1.331 62.714 61.300 0.139 0.000 1.457 445 I CB -0.368 37.690 38.000 0.097 0.000 1.092 445 I HN 0.366 nan 8.210 nan 0.000 0.434 446 Y N 1.869 122.236 120.300 0.112 0.000 2.128 446 Y HA -0.330 4.216 4.550 -0.006 0.000 0.284 446 Y C 2.547 178.538 175.900 0.152 0.000 1.154 446 Y CA 1.558 59.731 58.100 0.121 0.000 1.149 446 Y CB -0.348 38.191 38.460 0.132 0.000 0.976 446 Y HN 0.132 nan 8.280 nan 0.000 0.505 447 A N 0.045 123.010 122.820 0.242 0.000 1.940 447 A HA -0.159 4.158 4.320 -0.006 0.000 0.219 447 A C 2.444 180.039 177.584 0.019 0.000 1.176 447 A CA 1.924 54.031 52.037 0.117 0.000 0.631 447 A CB -1.683 17.320 19.000 0.005 0.000 0.814 447 A HN 0.621 nan 8.150 nan 0.000 0.446 448 G N -0.484 108.311 108.800 -0.009 0.000 2.394 448 G HA2 -0.037 3.919 3.960 -0.006 0.000 0.214 448 G HA3 -0.037 3.919 3.960 -0.006 0.000 0.214 448 G C 1.542 176.373 174.900 -0.115 0.000 1.176 448 G CA 1.553 46.611 45.100 -0.070 0.000 0.786 448 G HN 0.999 nan 8.290 nan 0.000 0.533 449 V N -1.915 117.932 119.914 -0.112 0.000 3.041 449 V HA 0.213 4.330 4.120 -0.006 0.000 0.260 449 V C 2.018 177.988 176.094 -0.207 0.000 1.105 449 V CA 0.941 63.162 62.300 -0.132 0.000 1.125 449 V CB -0.306 31.468 31.823 -0.081 0.000 0.730 449 V HN 0.121 nan 8.190 nan 0.000 0.479 450 R N 0.923 121.237 120.500 -0.309 0.000 2.393 450 R HA 0.367 4.703 4.340 -0.006 0.000 0.244 450 R C 1.644 177.624 176.300 -0.533 0.000 0.920 450 R CA 0.535 56.383 56.100 -0.419 0.000 1.076 450 R CB 0.134 30.096 30.300 -0.563 0.000 1.119 450 R HN 0.803 nan 8.270 nan 0.000 0.524 451 G N 0.743 109.314 108.800 -0.381 0.000 2.143 451 G HA2 -0.329 3.627 3.960 -0.006 0.000 0.249 451 G HA3 -0.329 3.627 3.960 -0.006 0.000 0.249 451 G C 0.449 175.126 174.900 -0.372 0.000 0.981 451 G CA 0.057 44.947 45.100 -0.349 0.000 0.665 451 G HN 0.440 nan 8.290 nan 0.000 0.528 452 Y N -0.105 120.062 120.300 -0.222 0.000 2.632 452 Y HA 0.324 4.870 4.550 -0.006 0.000 0.301 452 Y C 2.467 178.151 175.900 -0.360 0.000 1.172 452 Y CA 1.000 58.954 58.100 -0.244 0.000 1.328 452 Y CB 0.121 38.444 38.460 -0.228 0.000 1.016 452 Y HN 0.402 nan 8.280 nan 0.000 0.529 453 L N -1.480 119.601 121.223 -0.237 0.000 2.672 453 L HA 0.060 4.397 4.340 -0.006 0.000 0.236 453 L C 1.173 177.915 176.870 -0.212 0.000 1.092 453 L CA -0.011 54.635 54.840 -0.323 0.000 0.887 453 L CB 0.046 41.914 42.059 -0.318 0.000 1.168 453 L HN 0.005 nan 8.230 nan 0.000 0.502 454 D N 1.463 121.760 120.400 -0.172 0.000 2.228 454 D HA -0.169 4.467 4.640 -0.006 0.000 0.203 454 D C 1.790 178.029 176.300 -0.100 0.000 0.988 454 D CA 1.281 55.203 54.000 -0.130 0.000 0.864 454 D CB 0.139 40.862 40.800 -0.128 0.000 0.928 454 D HN 0.321 nan 8.370 nan 0.000 0.469 455 K N -0.358 119.983 120.400 -0.098 0.000 2.356 455 K HA 0.138 4.454 4.320 -0.006 0.000 0.195 455 K C 0.784 177.352 176.600 -0.054 0.000 1.037 455 K CA -0.069 56.180 56.287 -0.064 0.000 1.014 455 K CB 0.726 33.197 32.500 -0.048 0.000 0.815 455 K HN 0.119 nan 8.250 nan 0.000 0.507 456 L N 1.930 123.103 121.223 -0.083 0.000 2.395 456 L HA 0.107 4.443 4.340 -0.006 0.000 0.269 456 L C 0.415 177.261 176.870 -0.040 0.000 1.133 456 L CA -0.267 54.539 54.840 -0.056 0.000 0.812 456 L CB 0.640 42.629 42.059 -0.116 0.000 1.125 456 L HN 0.049 nan 8.230 nan 0.000 0.452 457 E N 2.784 122.982 120.200 -0.002 0.000 2.354 457 E HA 0.056 4.403 4.350 -0.006 0.000 0.269 457 E C -1.606 174.995 176.600 0.002 0.000 1.036 457 E CA -1.520 54.881 56.400 0.002 0.000 0.876 457 E CB 0.956 30.667 29.700 0.018 0.000 1.009 457 E HN 0.360 nan 8.360 nan 0.000 0.416 458 P HA -0.215 nan 4.420 nan 0.000 0.216 458 P C 1.214 178.521 177.300 0.013 0.000 1.150 458 P CA 1.335 64.430 63.100 -0.008 0.000 0.843 458 P CB 0.135 31.832 31.700 -0.006 0.000 0.787 459 S N -1.050 114.665 115.700 0.024 0.000 2.507 459 S HA -0.067 4.399 4.470 -0.006 0.000 0.235 459 S C 1.421 176.059 174.600 0.063 0.000 0.988 459 S CA 0.905 59.127 58.200 0.036 0.000 0.944 459 S CB -0.785 62.434 63.200 0.031 0.000 0.762 459 S HN 0.217 nan 8.310 nan 0.000 0.526 460 K N 0.056 120.504 120.400 0.079 0.000 2.373 460 K HA 0.367 4.684 4.320 -0.006 0.000 0.202 460 K C 0.764 177.458 176.600 0.156 0.000 1.025 460 K CA -0.247 56.129 56.287 0.148 0.000 1.115 460 K CB 0.245 32.857 32.500 0.186 0.000 0.858 460 K HN 0.275 nan 8.250 nan 0.000 0.525 461 I N 0.946 121.565 120.570 0.083 0.000 2.277 461 I HA -0.157 4.009 4.170 -0.006 0.000 0.243 461 I C 1.889 178.087 176.117 0.135 0.000 1.094 461 I CA 1.513 62.854 61.300 0.069 0.000 1.393 461 I CB -1.068 36.933 38.000 0.002 0.000 1.078 461 I HN 0.082 nan 8.210 nan 0.000 0.417 462 T N 1.038 115.653 114.554 0.102 0.000 2.684 462 T HA -0.252 4.095 4.350 -0.006 0.000 0.267 462 T C 1.985 176.762 174.700 0.128 0.000 1.036 462 T CA 1.825 63.982 62.100 0.095 0.000 1.148 462 T CB -0.190 68.715 68.868 0.061 0.000 0.863 462 T HN 0.238 nan 8.240 nan 0.000 0.436 463 K N 0.058 120.560 120.400 0.170 0.000 2.063 463 K HA -0.100 4.217 4.320 -0.006 0.000 0.208 463 K C 2.010 178.768 176.600 0.262 0.000 1.048 463 K CA 1.280 57.711 56.287 0.239 0.000 0.928 463 K CB -0.340 32.346 32.500 0.310 0.000 0.713 463 K HN 0.344 nan 8.250 nan 0.000 0.442 464 F N 1.842 121.791 119.950 -0.002 0.000 2.134 464 F HA -0.170 4.353 4.527 -0.006 0.000 0.299 464 F C 2.217 177.957 175.800 -0.100 0.000 1.097 464 F CA 1.874 59.650 58.000 -0.374 0.000 1.264 464 F CB -0.189 38.514 39.000 -0.495 0.000 1.001 464 F HN 0.167 nan 8.300 nan 0.000 0.479 465 E N 0.259 120.508 120.200 0.081 0.000 2.051 465 E HA -0.266 4.081 4.350 -0.006 0.000 0.192 465 E C 1.813 178.395 176.600 -0.029 0.000 0.991 465 E CA 1.822 58.262 56.400 0.066 0.000 0.799 465 E CB -0.346 29.438 29.700 0.139 0.000 0.748 465 E HN 0.603 nan 8.360 nan 0.000 0.449 466 N N 0.039 118.741 118.700 0.003 0.000 2.188 466 N HA -0.111 4.626 4.740 -0.006 0.000 0.184 466 N C 1.714 177.217 175.510 -0.013 0.000 1.018 466 N CA 1.063 54.111 53.050 -0.002 0.000 0.858 466 N CB -0.084 38.425 38.487 0.037 0.000 0.989 466 N HN 0.177 nan 8.380 nan 0.000 0.426 467 A N 0.347 123.184 122.820 0.028 0.000 1.929 467 A HA -0.076 4.240 4.320 -0.006 0.000 0.216 467 A C 1.872 179.391 177.584 -0.107 0.000 1.176 467 A CA 0.765 52.878 52.037 0.128 0.000 0.628 467 A CB -0.680 18.582 19.000 0.436 0.000 0.816 467 A HN 0.380 nan 8.150 nan 0.000 0.444 468 F N -0.088 119.469 119.950 -0.655 0.000 2.259 468 F HA 0.001 4.525 4.527 -0.006 0.000 0.298 468 F C 1.652 177.111 175.800 -0.568 0.000 1.088 468 F CA 1.030 58.353 58.000 -1.127 0.000 1.358 468 F CB -0.196 37.997 39.000 -1.345 0.000 1.040 468 F HN 0.182 nan 8.300 nan 0.000 0.505 469 L N 0.450 121.391 121.223 -0.471 0.000 2.007 469 L HA -0.087 4.250 4.340 -0.006 0.000 0.205 469 L C 2.654 179.335 176.870 -0.314 0.000 1.073 469 L CA 2.299 56.889 54.840 -0.417 0.000 0.744 469 L CB -1.257 40.677 42.059 -0.209 0.000 0.898 469 L HN 0.244 nan 8.230 nan 0.000 0.435 470 S N -2.006 113.582 115.700 -0.187 0.000 2.507 470 S HA -0.214 4.252 4.470 -0.006 0.000 0.235 470 S C 2.017 176.554 174.600 -0.105 0.000 0.988 470 S CA 0.910 59.038 58.200 -0.119 0.000 0.944 470 S CB -0.961 62.208 63.200 -0.051 0.000 0.762 470 S HN 0.675 nan 8.310 nan 0.000 0.526 471 H N 1.842 120.758 119.070 -0.255 0.000 2.355 471 H HA 0.009 4.562 4.556 -0.006 0.000 0.303 471 H C 2.158 177.359 175.328 -0.212 0.000 1.061 471 H CA 1.894 57.817 56.048 -0.208 0.000 1.368 471 H CB -0.028 29.569 29.762 -0.275 0.000 1.412 471 H HN 0.416 nan 8.280 nan 0.000 0.523 472 V N -0.622 119.049 119.914 -0.405 0.000 2.667 472 V HA -0.102 4.015 4.120 -0.006 0.000 0.252 472 V C 2.553 178.491 176.094 -0.261 0.000 1.065 472 V CA 1.223 63.317 62.300 -0.344 0.000 1.083 472 V CB -0.777 30.759 31.823 -0.477 0.000 0.692 472 V HN 0.252 nan 8.190 nan 0.000 0.468 473 I N 0.852 121.270 120.570 -0.254 0.000 2.163 473 I HA -0.170 3.997 4.170 -0.006 0.000 0.240 473 I C 2.896 178.908 176.117 -0.176 0.000 1.081 473 I CA 1.900 63.088 61.300 -0.187 0.000 1.353 473 I CB -0.439 37.466 38.000 -0.159 0.000 1.054 473 I HN 0.396 nan 8.210 nan 0.000 0.407 474 S N 0.054 115.639 115.700 -0.191 0.000 2.338 474 S HA -0.178 4.288 4.470 -0.006 0.000 0.218 474 S C 2.020 176.478 174.600 -0.237 0.000 1.032 474 S CA 1.305 59.400 58.200 -0.176 0.000 0.999 474 S CB -0.056 63.061 63.200 -0.137 0.000 0.905 474 S HN 0.341 nan 8.310 nan 0.000 0.439 475 Q N -0.256 119.317 119.800 -0.378 0.000 2.302 475 Q HA 0.091 4.427 4.340 -0.006 0.000 0.202 475 Q C 0.127 175.746 176.000 -0.635 0.000 0.936 475 Q CA 0.884 56.367 55.803 -0.533 0.000 0.886 475 Q CB -0.087 28.205 28.738 -0.744 0.000 0.986 475 Q HN 0.729 nan 8.270 nan 0.000 0.487 476 H N 0.265 119.182 119.070 -0.255 0.000 2.355 476 H HA 0.216 4.768 4.556 -0.006 0.000 0.232 476 H C 0.830 176.059 175.328 -0.165 0.000 1.422 476 H CA -0.207 55.726 56.048 -0.191 0.000 1.261 476 H CB 0.691 30.333 29.762 -0.200 0.000 1.595 476 H HN -0.038 nan 8.280 nan 0.000 0.529 477 Q N 0.754 120.509 119.800 -0.075 0.000 2.224 477 Q HA -0.042 4.295 4.340 -0.006 0.000 0.203 477 Q C 2.174 178.142 176.000 -0.054 0.000 0.970 477 Q CA 1.024 56.782 55.803 -0.075 0.000 0.865 477 Q CB 0.169 28.857 28.738 -0.084 0.000 0.922 477 Q HN 0.688 nan 8.270 nan 0.000 0.445 478 A N 0.975 123.774 122.820 -0.034 0.000 1.898 478 A HA -0.120 4.196 4.320 -0.006 0.000 0.216 478 A C 2.004 179.569 177.584 -0.032 0.000 1.181 478 A CA 0.858 52.879 52.037 -0.028 0.000 0.620 478 A CB -0.583 18.409 19.000 -0.014 0.000 0.819 478 A HN 0.362 nan 8.150 nan 0.000 0.442 479 L N -0.280 120.925 121.223 -0.030 0.000 2.056 479 L HA -0.084 4.252 4.340 -0.006 0.000 0.207 479 L C 2.272 179.097 176.870 -0.074 0.000 1.078 479 L CA 1.736 56.541 54.840 -0.060 0.000 0.749 479 L CB -0.689 41.316 42.059 -0.091 0.000 0.901 479 L HN 0.440 nan 8.230 nan 0.000 0.433 480 L N 0.174 121.350 121.223 -0.078 0.000 2.056 480 L HA -0.131 4.206 4.340 -0.006 0.000 0.207 480 L C 3.047 179.876 176.870 -0.068 0.000 1.078 480 L CA 1.277 56.066 54.840 -0.084 0.000 0.749 480 L CB -1.020 40.980 42.059 -0.100 0.000 0.901 480 L HN 0.364 nan 8.230 nan 0.000 0.433 481 S N 0.338 116.001 115.700 -0.061 0.000 2.400 481 S HA -0.255 4.212 4.470 -0.006 0.000 0.232 481 S C 2.153 176.727 174.600 -0.043 0.000 1.025 481 S CA 1.950 60.119 58.200 -0.052 0.000 0.993 481 S CB -0.286 nan 63.200 nan 0.000 0.808 481 S HN 0.133 nan 8.310 nan 0.000 0.478 482 K N 0.855 121.230 120.400 -0.042 0.000 2.062 482 K HA 0.223 4.540 4.320 -0.006 0.000 0.205 482 K C 1.649 178.228 176.600 -0.035 0.000 1.051 482 K CA 0.811 57.077 56.287 -0.036 0.000 0.941 482 K CB -0.422 32.056 32.500 -0.037 0.000 0.719 482 K HN 0.530 nan 8.250 nan 0.000 0.440 483 I N 0.361 120.905 120.570 -0.044 0.000 2.226 483 I HA -0.269 3.897 4.170 -0.006 0.000 0.245 483 I C 2.507 178.609 176.117 -0.026 0.000 1.100 483 I CA 1.322 62.599 61.300 -0.039 0.000 1.374 483 I CB -0.231 37.738 38.000 -0.052 0.000 1.057 483 I HN 0.193 nan 8.210 nan 0.000 0.413 484 R N 0.583 121.066 120.500 -0.029 0.000 2.081 484 R HA -0.150 4.187 4.340 -0.006 0.000 0.235 484 R C 2.089 178.384 176.300 -0.009 0.000 1.131 484 R CA 2.109 58.198 56.100 -0.017 0.000 0.960 484 R CB -0.320 29.961 30.300 -0.030 0.000 0.856 484 R HN 0.236 nan 8.270 nan 0.000 0.436 485 T N 0.811 115.356 114.554 -0.015 0.000 2.809 485 T HA -0.049 4.298 4.350 -0.006 0.000 0.260 485 T C 1.128 175.824 174.700 -0.008 0.000 1.039 485 T CA 1.243 63.337 62.100 -0.011 0.000 1.141 485 T CB -0.288 68.571 68.868 -0.015 0.000 0.869 485 T HN 0.278 nan 8.240 nan 0.000 0.437 486 D N 0.787 121.181 120.400 -0.011 0.000 2.144 486 D HA 0.019 4.655 4.640 -0.006 0.000 0.199 486 D C 1.903 178.200 176.300 -0.004 0.000 0.984 486 D CA 1.464 55.459 54.000 -0.008 0.000 0.834 486 D CB -0.611 40.182 40.800 -0.012 0.000 0.955 486 D HN 0.548 nan 8.370 nan 0.000 0.465 487 G N 0.460 109.258 108.800 -0.004 0.000 2.162 487 G HA2 -0.305 3.652 3.960 -0.006 0.000 0.260 487 G HA3 -0.305 3.652 3.960 -0.006 0.000 0.260 487 G C 0.459 175.360 174.900 0.001 0.000 0.976 487 G CA 0.696 45.796 45.100 0.000 0.000 0.655 487 G HN 0.461 nan 8.290 nan 0.000 0.533 488 K N -0.613 119.786 120.400 -0.002 0.000 2.495 488 K HA 0.711 5.028 4.320 -0.006 0.000 0.268 488 K C -0.852 175.744 176.600 -0.007 0.000 1.008 488 K CA -1.193 55.094 56.287 0.001 0.000 0.882 488 K CB 1.356 33.858 32.500 0.002 0.000 1.443 488 K HN 0.079 nan 8.250 nan 0.000 0.447 489 I N 2.837 123.406 120.570 -0.001 0.000 2.337 489 I HA 0.109 4.276 4.170 -0.006 0.000 0.285 489 I C 0.483 176.598 176.117 -0.004 0.000 1.041 489 I CA -0.461 60.832 61.300 -0.013 0.000 1.199 489 I CB 1.363 39.360 38.000 -0.005 0.000 1.370 489 I HN 0.550 nan 8.210 nan 0.000 0.470 490 S N 3.290 118.983 115.700 -0.012 0.000 2.624 490 S HA 0.183 4.650 4.470 -0.006 0.000 0.263 490 S C 1.009 175.608 174.600 -0.000 0.000 1.287 490 S CA -0.446 57.752 58.200 -0.004 0.000 0.990 490 S CB 1.309 64.504 63.200 -0.008 0.000 0.950 490 S HN 0.687 nan 8.310 nan 0.000 0.561 491 E N 0.095 120.299 120.200 0.007 0.000 2.204 491 E HA -0.198 4.148 4.350 -0.006 0.000 0.195 491 E C 1.874 178.479 176.600 0.007 0.000 0.990 491 E CA 1.348 57.756 56.400 0.014 0.000 0.821 491 E CB -0.081 29.628 29.700 0.015 0.000 0.750 491 E HN 0.817 nan 8.360 nan 0.000 0.477 492 E N 0.010 120.208 120.200 -0.003 0.000 2.047 492 E HA -0.118 4.229 4.350 -0.006 0.000 0.191 492 E C 1.899 178.484 176.600 -0.026 0.000 0.987 492 E CA 1.852 58.246 56.400 -0.010 0.000 0.799 492 E CB -0.230 29.463 29.700 -0.011 0.000 0.752 492 E HN -0.011 nan 8.360 nan 0.000 0.449 493 S N 0.381 116.057 115.700 -0.039 0.000 2.383 493 S HA -0.130 4.336 4.470 -0.006 0.000 0.227 493 S C 1.530 176.066 174.600 -0.108 0.000 1.026 493 S CA 1.164 59.318 58.200 -0.076 0.000 0.981 493 S CB -0.483 62.670 63.200 -0.079 0.000 0.818 493 S HN 0.398 nan 8.310 nan 0.000 0.472 494 D N 1.617 121.978 120.400 -0.064 0.000 2.117 494 D HA -0.018 4.618 4.640 -0.006 0.000 0.197 494 D C 1.947 178.251 176.300 0.007 0.000 0.987 494 D CA 1.266 55.245 54.000 -0.035 0.000 0.829 494 D CB -0.269 40.565 40.800 0.057 0.000 0.961 494 D HN 0.329 nan 8.370 nan 0.000 0.460 495 A N -0.196 122.631 122.820 0.012 0.000 1.968 495 A HA -0.074 4.243 4.320 -0.006 0.000 0.217 495 A C 2.142 179.726 177.584 -0.001 0.000 1.169 495 A CA 1.482 53.537 52.037 0.029 0.000 0.638 495 A CB -0.368 18.648 19.000 0.026 0.000 0.812 495 A HN 0.118 nan 8.150 nan 0.000 0.446 496 K N -0.908 119.465 120.400 -0.044 0.000 2.155 496 K HA 0.026 4.343 4.320 -0.006 0.000 0.203 496 K C 1.667 178.189 176.600 -0.129 0.000 1.052 496 K CA 0.770 57.011 56.287 -0.077 0.000 0.948 496 K CB -0.252 32.196 32.500 -0.087 0.000 0.728 496 K HN 0.323 nan 8.250 nan 0.000 0.448 497 L N 1.135 122.252 121.223 -0.177 0.000 2.095 497 L HA -0.015 4.322 4.340 -0.006 0.000 0.204 497 L C 2.030 178.843 176.870 -0.095 0.000 1.080 497 L CA 1.713 56.392 54.840 -0.269 0.000 0.759 497 L CB -0.598 41.071 42.059 -0.651 0.000 0.914 497 L HN 0.129 nan 8.230 nan 0.000 0.439 498 K N -0.627 119.804 120.400 0.053 0.000 2.044 498 K HA -0.226 4.091 4.320 -0.006 0.000 0.210 498 K C 1.944 178.575 176.600 0.052 0.000 1.049 498 K CA 1.693 58.096 56.287 0.194 0.000 0.927 498 K CB -0.177 32.478 32.500 0.259 0.000 0.713 498 K HN 0.295 nan 8.250 nan 0.000 0.443 499 E N 0.650 120.868 120.200 0.030 0.000 2.035 499 E HA -0.246 4.100 4.350 -0.006 0.000 0.204 499 E C 2.132 178.740 176.600 0.014 0.000 1.025 499 E CA 2.125 58.538 56.400 0.021 0.000 0.835 499 E CB -0.323 29.379 29.700 0.003 0.000 0.764 499 E HN 0.442 nan 8.360 nan 0.000 0.457 500 I N 0.664 121.218 120.570 -0.028 0.000 2.179 500 I HA -0.262 3.905 4.170 -0.006 0.000 0.242 500 I C 2.548 178.743 176.117 0.128 0.000 1.088 500 I CA 0.807 62.124 61.300 0.028 0.000 1.357 500 I CB -0.357 37.552 38.000 -0.152 0.000 1.051 500 I HN -0.042 nan 8.210 nan 0.000 0.409 501 V N 0.426 120.344 119.914 0.007 0.000 2.295 501 V HA -0.270 3.846 4.120 -0.006 0.000 0.246 501 V C 2.504 178.475 176.094 -0.205 0.000 1.049 501 V CA 2.531 64.721 62.300 -0.183 0.000 1.024 501 V CB -1.212 30.260 31.823 -0.585 0.000 0.648 501 V HN 0.477 nan 8.190 nan 0.000 0.447 502 T N -0.128 114.295 114.554 -0.219 0.000 2.788 502 T HA -0.180 4.167 4.350 -0.006 0.000 0.268 502 T C 1.758 176.498 174.700 0.067 0.000 1.044 502 T CA 1.697 63.787 62.100 -0.017 0.000 1.139 502 T CB -0.474 68.446 68.868 0.086 0.000 0.867 502 T HN 0.542 nan 8.240 nan 0.000 0.454 503 N N -0.079 118.675 118.700 0.091 0.000 2.244 503 N HA -0.033 4.704 4.740 -0.006 0.000 0.183 503 N C 1.565 177.162 175.510 0.145 0.000 1.016 503 N CA 0.847 53.970 53.050 0.121 0.000 0.866 503 N CB -0.140 38.437 38.487 0.149 0.000 0.980 503 N HN 0.290 nan 8.380 nan 0.000 0.430 504 F N 1.433 121.402 119.950 0.032 0.000 2.270 504 F HA 0.023 4.546 4.527 -0.006 0.000 0.295 504 F C 2.084 177.947 175.800 0.106 0.000 1.087 504 F CA 0.272 58.279 58.000 0.013 0.000 1.365 504 F CB -0.178 38.818 39.000 -0.005 0.000 1.056 504 F HN -0.103 nan 8.300 nan 0.000 0.506 505 L N 0.953 122.310 121.223 0.223 0.000 2.042 505 L HA -0.068 4.269 4.340 -0.006 0.000 0.210 505 L C 2.269 179.205 176.870 0.110 0.000 1.076 505 L CA 2.264 57.224 54.840 0.200 0.000 0.749 505 L CB -1.223 40.918 42.059 0.137 0.000 0.893 505 L HN 0.106 nan 8.230 nan 0.000 0.432 506 A N -1.088 121.769 122.820 0.061 0.000 2.119 506 A HA 0.156 4.472 4.320 -0.006 0.000 0.217 506 A C 2.063 179.635 177.584 -0.021 0.000 1.153 506 A CA 0.925 52.979 52.037 0.029 0.000 0.692 506 A CB -1.034 17.986 19.000 0.033 0.000 0.799 506 A HN 0.532 nan 8.150 nan 0.000 0.458 507 G N -2.033 106.717 108.800 -0.084 0.000 3.088 507 G HA2 0.329 4.285 3.960 -0.006 0.000 0.217 507 G HA3 0.329 4.285 3.960 -0.006 0.000 0.217 507 G C 0.014 174.747 174.900 -0.279 0.000 1.159 507 G CA -0.211 44.781 45.100 -0.180 0.000 0.760 507 G HN 0.319 nan 8.290 nan 0.000 0.550 508 F N 1.662 121.382 119.950 -0.383 0.000 2.408 508 F HA 0.576 5.100 4.527 -0.006 0.000 0.344 508 F C 0.268 175.995 175.800 -0.123 0.000 1.112 508 F CA -1.209 56.601 58.000 -0.318 0.000 1.096 508 F CB 1.348 40.234 39.000 -0.190 0.000 1.129 508 F HN 0.037 nan 8.300 nan 0.000 0.486 509 E N 0.000 119.766 120.200 -0.723 0.000 2.725 509 E HA 0.000 4.347 4.350 -0.006 0.000 0.291 509 E CA 0.000 56.123 56.400 -0.461 0.000 0.976 509 E CB 0.000 29.509 29.700 -0.318 0.000 0.812 509 E HN 0.000 nan 8.360 nan 0.000 0.440