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 3ibg_1_D DATA FIRST_RESID 12 DATA SEQUENCE LMEPTLQSIL SQKTLRWIFV GGKGGVGKTT TSCSLAIQLA KVRKSVLLIS DATA SEQUENCE TDPAHNLSDA FGQKFGKEAR LVDGYSNLSA MEIDPNGSIQ DLLASXXXXX DATA SEQUENCE XXXXXXXXXX XXXQDLAFSI PGVDEAMSFA EVLKQVKSLS YEVIVFDTAP DATA SEQUENCE TGHTLRFLQF PTVLEKALAK LSQLSSQFXX XXXSILGARG GLPGGQNIDE DATA SEQUENCE LLQKMESLRE TISEVNTQFK NPDMTTFVCV CIAEFLSLYE TERMIQELTS DATA SEQUENCE YGIDTHAIVV NQLLFPXXXX GCEQCNARRK MQKKYLEQIE ELYEDFNVVR DATA SEQUENCE MPLLVEEVRG KEKLEKFSEM LVHPYVP 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 12 L HA 0.000 nan 4.340 nan 0.000 0.249 12 L C 0.000 176.893 176.870 0.038 0.000 1.165 12 L CA 0.000 54.861 54.840 0.035 0.000 0.813 12 L CB 0.000 42.082 42.059 0.039 0.000 0.961 13 M N 2.456 122.089 119.600 0.054 0.000 1.980 13 M HA 0.290 4.771 4.480 0.001 0.000 0.282 13 M C -0.623 175.718 176.300 0.069 0.000 0.878 13 M CA -0.705 54.632 55.300 0.062 0.000 0.900 13 M CB 1.403 34.053 32.600 0.084 0.000 1.577 13 M HN 0.588 nan 8.290 nan 0.000 0.396 14 E N 3.793 124.023 120.200 0.050 0.000 2.485 14 E HA -0.001 4.349 4.350 0.001 0.000 0.266 14 E C -2.348 174.286 176.600 0.056 0.000 1.090 14 E CA -0.745 55.681 56.400 0.044 0.000 0.987 14 E CB 0.031 29.743 29.700 0.021 0.000 0.974 14 E HN 0.257 nan 8.360 nan 0.000 0.455 15 P HA 0.178 nan 4.420 nan 0.000 0.237 15 P C -1.131 176.195 177.300 0.043 0.000 1.723 15 P CA 0.075 63.213 63.100 0.065 0.000 0.882 15 P CB -0.017 31.727 31.700 0.074 0.000 1.810 16 T N -0.007 114.567 114.554 0.033 0.000 2.909 16 T HA 0.321 4.672 4.350 0.001 0.000 0.299 16 T C 0.742 175.451 174.700 0.016 0.000 1.073 16 T CA -0.525 61.578 62.100 0.006 0.000 0.999 16 T CB 1.530 70.380 68.868 -0.030 0.000 1.098 16 T HN -0.056 nan 8.240 nan 0.000 0.477 17 L N 1.821 123.046 121.223 0.003 0.000 2.645 17 L HA 0.165 4.505 4.340 0.001 0.000 0.234 17 L C 2.476 179.353 176.870 0.012 0.000 1.165 17 L CA 0.255 55.101 54.840 0.009 0.000 0.944 17 L CB -0.251 41.808 42.059 -0.001 0.000 1.149 17 L HN 0.756 nan 8.230 nan 0.000 0.446 18 Q N 0.570 120.369 119.800 -0.002 0.000 2.079 18 Q HA -0.198 4.142 4.340 0.001 0.000 0.200 18 Q C 2.357 178.365 176.000 0.013 0.000 0.974 18 Q CA 1.979 57.774 55.803 -0.012 0.000 0.840 18 Q CB 0.140 28.849 28.738 -0.048 0.000 0.898 18 Q HN 0.608 nan 8.270 nan 0.000 0.430 19 S N 0.047 115.768 115.700 0.035 0.000 2.402 19 S HA -0.186 4.285 4.470 0.001 0.000 0.233 19 S C 1.837 176.477 174.600 0.068 0.000 1.030 19 S CA 1.317 59.546 58.200 0.049 0.000 1.003 19 S CB -0.507 62.735 63.200 0.071 0.000 0.813 19 S HN 0.457 nan 8.310 nan 0.000 0.477 20 I N 1.119 121.742 120.570 0.088 0.000 2.277 20 I HA -0.032 4.138 4.170 0.001 0.000 0.243 20 I C 2.290 178.432 176.117 0.041 0.000 1.094 20 I CA 0.898 62.248 61.300 0.084 0.000 1.393 20 I CB -0.322 37.718 38.000 0.066 0.000 1.078 20 I HN 0.255 nan 8.210 nan 0.000 0.417 21 L N -0.015 121.223 121.223 0.025 0.000 2.265 21 L HA -0.175 4.166 4.340 0.001 0.000 0.215 21 L C 2.420 179.298 176.870 0.013 0.000 1.117 21 L CA 0.924 55.773 54.840 0.015 0.000 0.782 21 L CB -0.515 41.552 42.059 0.013 0.000 0.914 21 L HN 0.172 nan 8.230 nan 0.000 0.441 22 S N -1.443 114.267 115.700 0.016 0.000 2.446 22 S HA -0.029 4.441 4.470 0.001 0.000 0.225 22 S C 0.771 175.378 174.600 0.011 0.000 1.016 22 S CA 0.347 58.553 58.200 0.011 0.000 0.943 22 S CB -0.054 63.150 63.200 0.008 0.000 0.786 22 S HN 0.433 nan 8.310 nan 0.000 0.508 23 Q N 1.488 121.298 119.800 0.017 0.000 2.300 23 Q HA 0.145 4.486 4.340 0.001 0.000 0.262 23 Q C 0.219 176.225 176.000 0.010 0.000 1.109 23 Q CA 0.256 56.069 55.803 0.017 0.000 0.905 23 Q CB 0.379 29.135 28.738 0.030 0.000 1.280 23 Q HN 0.299 nan 8.270 nan 0.000 0.426 24 K N 0.794 121.197 120.400 0.005 0.000 2.404 24 K HA -0.010 4.311 4.320 0.001 0.000 0.194 24 K C 1.449 178.047 176.600 -0.003 0.000 1.023 24 K CA 0.645 56.931 56.287 -0.002 0.000 1.094 24 K CB 0.482 32.981 32.500 -0.002 0.000 0.841 24 K HN 0.601 nan 8.250 nan 0.000 0.523 25 T N -1.309 113.249 114.554 0.007 0.000 3.057 25 T HA 0.162 4.512 4.350 0.001 0.000 0.254 25 T C 0.840 175.551 174.700 0.019 0.000 1.094 25 T CA -0.202 61.906 62.100 0.013 0.000 1.088 25 T CB -0.041 68.841 68.868 0.023 0.000 0.934 25 T HN -0.031 nan 8.240 nan 0.000 0.497 26 L N 1.783 123.016 121.223 0.017 0.000 2.499 26 L HA 0.295 4.635 4.340 0.001 0.000 0.273 26 L C 1.582 178.429 176.870 -0.038 0.000 1.195 26 L CA 0.002 54.854 54.840 0.020 0.000 0.882 26 L CB 0.582 42.655 42.059 0.024 0.000 1.133 26 L HN 0.176 nan 8.230 nan 0.000 0.483 27 R N 1.716 122.180 120.500 -0.060 0.000 2.412 27 R HA 0.131 4.471 4.340 0.001 0.000 0.212 27 R C -0.830 175.169 176.300 -0.501 0.000 0.878 27 R CA -0.049 55.885 56.100 -0.278 0.000 1.022 27 R CB 0.577 30.699 30.300 -0.296 0.000 1.265 27 R HN 0.489 nan 8.270 nan 0.000 0.620 28 W N 1.533 122.807 121.300 -0.044 0.000 2.475 28 W HA 0.522 5.183 4.660 0.001 0.000 0.320 28 W C -0.805 175.546 176.519 -0.281 0.000 1.022 28 W CA -0.433 56.799 57.345 -0.189 0.000 1.240 28 W CB 1.177 30.519 29.460 -0.197 0.000 1.328 28 W HN -0.175 nan 8.180 nan 0.000 0.439 29 I N 4.660 125.161 120.570 -0.115 0.000 2.466 29 I HA 0.260 4.430 4.170 0.001 0.000 0.279 29 I C -0.595 175.399 176.117 -0.204 0.000 1.033 29 I CA -0.839 60.386 61.300 -0.125 0.000 1.123 29 I CB 0.422 38.383 38.000 -0.066 0.000 1.237 29 I HN 0.150 nan 8.210 nan 0.000 0.460 30 F N 5.178 125.021 119.950 -0.180 0.000 2.450 30 F HA 0.366 4.893 4.527 0.001 0.000 0.339 30 F C 0.511 175.978 175.800 -0.555 0.000 1.146 30 F CA -0.235 57.510 58.000 -0.425 0.000 1.267 30 F CB 0.885 39.359 39.000 -0.876 0.000 1.178 30 F HN 0.015 nan 8.300 nan 0.000 0.585 31 V N 1.455 121.219 119.914 -0.249 0.000 2.569 31 V HA 0.784 4.904 4.120 0.001 0.000 0.301 31 V C -0.076 175.910 176.094 -0.180 0.000 1.044 31 V CA -0.656 61.502 62.300 -0.237 0.000 0.874 31 V CB 1.444 33.228 31.823 -0.066 0.000 1.002 31 V HN 0.949 nan 8.190 nan 0.000 0.424 32 G N 2.042 110.764 108.800 -0.129 0.000 2.659 32 G HA2 0.846 4.807 3.960 0.001 0.000 0.296 32 G HA3 0.846 4.807 3.960 0.001 0.000 0.296 32 G C -0.590 174.400 174.900 0.150 0.000 1.369 32 G CA -0.369 44.800 45.100 0.114 0.000 0.937 32 G HN 1.221 nan 8.290 nan 0.000 0.485 33 G N 0.062 108.917 108.800 0.092 0.000 2.476 33 G HA2 0.467 4.427 3.960 0.001 0.000 0.309 33 G HA3 0.467 4.427 3.960 0.001 0.000 0.309 33 G C -1.506 173.403 174.900 0.016 0.000 1.575 33 G CA -0.784 44.340 45.100 0.040 0.000 0.913 33 G HN 0.575 nan 8.290 nan 0.000 0.623 34 K N 0.609 121.004 120.400 -0.009 0.000 2.182 34 K HA 0.614 4.935 4.320 0.001 0.000 0.262 34 K C 0.812 177.403 176.600 -0.015 0.000 0.957 34 K CA 0.173 56.452 56.287 -0.013 0.000 0.842 34 K CB 1.370 33.852 32.500 -0.030 0.000 1.099 34 K HN 1.913 nan 8.250 nan 0.000 0.438 35 G N 2.164 110.959 108.800 -0.009 0.000 2.207 35 G HA2 -0.131 3.829 3.960 0.001 0.000 0.216 35 G HA3 -0.131 3.829 3.960 0.001 0.000 0.216 35 G C 0.542 175.435 174.900 -0.012 0.000 1.053 35 G CA 0.171 45.266 45.100 -0.009 0.000 0.764 35 G HN 1.252 nan 8.290 nan 0.000 0.495 36 G N -2.032 106.761 108.800 -0.012 0.000 2.176 36 G HA2 -0.032 3.928 3.960 0.001 0.000 0.252 36 G HA3 -0.032 3.928 3.960 0.001 0.000 0.252 36 G C 1.544 176.430 174.900 -0.022 0.000 1.024 36 G CA 1.478 46.568 45.100 -0.017 0.000 0.755 36 G HN 2.245 nan 8.290 nan 0.000 0.507 37 V N -2.680 117.222 119.914 -0.019 0.000 3.510 37 V HA 0.523 4.644 4.120 0.001 0.000 0.270 37 V C 1.783 177.868 176.094 -0.016 0.000 1.201 37 V CA 1.204 63.492 62.300 -0.020 0.000 1.166 37 V CB -0.287 31.524 31.823 -0.020 0.000 0.825 37 V HN 2.300 nan 8.190 nan 0.000 0.484 38 G N 0.625 109.410 108.800 -0.025 0.000 2.215 38 G HA2 -0.229 3.731 3.960 0.001 0.000 0.198 38 G HA3 -0.229 3.731 3.960 0.001 0.000 0.198 38 G C 0.654 175.543 174.900 -0.018 0.000 1.047 38 G CA 0.396 45.471 45.100 -0.041 0.000 0.747 38 G HN 0.560 nan 8.290 nan 0.000 0.495 39 K N -0.373 120.023 120.400 -0.007 0.000 1.985 39 K HA -0.084 4.237 4.320 0.001 0.000 0.210 39 K C 2.394 178.995 176.600 0.000 0.000 1.047 39 K CA 2.036 58.328 56.287 0.009 0.000 0.932 39 K CB -0.432 32.080 32.500 0.020 0.000 0.716 39 K HN 0.277 nan 8.250 nan 0.000 0.439 40 T N 0.716 115.263 114.554 -0.011 0.000 2.684 40 T HA -0.121 4.230 4.350 0.001 0.000 0.267 40 T C 1.785 176.449 174.700 -0.059 0.000 1.036 40 T CA 2.051 64.140 62.100 -0.019 0.000 1.148 40 T CB -0.397 68.462 68.868 -0.016 0.000 0.863 40 T HN 0.393 nan 8.240 nan 0.000 0.436 41 T N 1.484 115.976 114.554 -0.103 0.000 2.833 41 T HA -0.098 4.252 4.350 0.001 0.000 0.269 41 T C 2.149 176.810 174.700 -0.065 0.000 1.054 41 T CA 1.548 63.540 62.100 -0.180 0.000 1.135 41 T CB -0.453 68.209 68.868 -0.343 0.000 0.869 41 T HN 0.444 nan 8.240 nan 0.000 0.466 42 T N 1.336 115.903 114.554 0.021 0.000 2.896 42 T HA -0.024 4.326 4.350 0.001 0.000 0.263 42 T C 2.422 177.153 174.700 0.053 0.000 1.050 42 T CA 1.039 63.202 62.100 0.103 0.000 1.140 42 T CB -0.260 68.662 68.868 0.091 0.000 0.877 42 T HN 0.299 nan 8.240 nan 0.000 0.457 43 S N 0.969 116.679 115.700 0.017 0.000 2.368 43 S HA -0.135 4.336 4.470 0.001 0.000 0.225 43 S C 2.459 177.065 174.600 0.011 0.000 1.030 43 S CA 1.071 59.276 58.200 0.007 0.000 0.999 43 S CB -0.672 62.533 63.200 0.008 0.000 0.844 43 S HN 0.587 nan 8.310 nan 0.000 0.459 44 C N 1.267 120.566 119.300 -0.002 0.000 2.453 44 C HA -0.002 4.459 4.460 0.001 0.000 0.277 44 C C 3.098 178.112 174.990 0.040 0.000 1.262 44 C CA 0.686 59.714 59.018 0.016 0.000 1.718 44 C CB -1.431 26.156 27.740 -0.254 0.000 2.031 44 C HN 0.539 nan 8.230 nan 0.000 0.480 45 S N 1.036 116.764 115.700 0.046 0.000 2.359 45 S HA -0.188 4.283 4.470 0.001 0.000 0.224 45 S C 1.742 176.391 174.600 0.082 0.000 1.035 45 S CA 1.563 59.833 58.200 0.117 0.000 1.018 45 S CB -0.569 62.783 63.200 0.253 0.000 0.876 45 S HN 0.541 nan 8.310 nan 0.000 0.448 46 L N 1.781 123.039 121.223 0.058 0.000 2.083 46 L HA -0.003 4.337 4.340 0.001 0.000 0.209 46 L C 2.246 179.119 176.870 0.005 0.000 1.083 46 L CA 1.768 56.624 54.840 0.027 0.000 0.752 46 L CB -1.008 41.057 42.059 0.010 0.000 0.899 46 L HN 0.239 nan 8.230 nan 0.000 0.433 47 A N -0.158 122.660 122.820 -0.004 0.000 1.873 47 A HA -0.150 4.170 4.320 0.001 0.000 0.215 47 A C 2.258 179.810 177.584 -0.053 0.000 1.186 47 A CA 1.940 53.949 52.037 -0.046 0.000 0.616 47 A CB -0.829 18.134 19.000 -0.062 0.000 0.823 47 A HN 0.479 nan 8.150 nan 0.000 0.442 48 I N -0.843 119.715 120.570 -0.019 0.000 2.208 48 I HA -0.293 3.878 4.170 0.001 0.000 0.245 48 I C 2.708 178.858 176.117 0.054 0.000 1.097 48 I CA 1.825 63.118 61.300 -0.011 0.000 1.363 48 I CB -0.280 37.786 38.000 0.110 0.000 1.051 48 I HN 0.339 nan 8.210 nan 0.000 0.413 49 Q N 0.645 120.479 119.800 0.057 0.000 2.297 49 Q HA -0.031 4.310 4.340 0.001 0.000 0.204 49 Q C 2.004 178.026 176.000 0.037 0.000 0.962 49 Q CA 1.146 56.986 55.803 0.061 0.000 0.879 49 Q CB -0.038 28.734 28.738 0.057 0.000 0.947 49 Q HN 0.507 nan 8.270 nan 0.000 0.462 50 L N -1.076 120.154 121.223 0.012 0.000 2.270 50 L HA 0.066 4.406 4.340 0.001 0.000 0.210 50 L C 1.972 178.841 176.870 -0.001 0.000 1.104 50 L CA 0.721 55.559 54.840 -0.004 0.000 0.804 50 L CB -0.323 41.718 42.059 -0.030 0.000 0.937 50 L HN 0.214 nan 8.230 nan 0.000 0.450 51 A N 0.051 122.872 122.820 0.001 0.000 2.015 51 A HA -0.176 4.145 4.320 0.001 0.000 0.219 51 A C 2.184 179.800 177.584 0.054 0.000 1.163 51 A CA 1.236 53.285 52.037 0.019 0.000 0.646 51 A CB -0.222 18.787 19.000 0.015 0.000 0.806 51 A HN 0.320 nan 8.150 nan 0.000 0.448 52 K N -0.762 119.677 120.400 0.064 0.000 2.217 52 K HA 0.037 4.357 4.320 0.001 0.000 0.202 52 K C 1.313 177.939 176.600 0.044 0.000 1.051 52 K CA 1.276 57.603 56.287 0.066 0.000 0.952 52 K CB 0.018 32.563 32.500 0.075 0.000 0.736 52 K HN 0.344 nan 8.250 nan 0.000 0.453 53 V N 0.470 120.404 119.914 0.032 0.000 3.455 53 V HA 0.064 4.185 4.120 0.001 0.000 0.250 53 V C 0.507 176.609 176.094 0.012 0.000 1.230 53 V CA 0.197 62.511 62.300 0.022 0.000 1.105 53 V CB 0.213 32.048 31.823 0.020 0.000 0.850 53 V HN 0.132 nan 8.190 nan 0.000 0.461 54 R N 0.382 120.886 120.500 0.007 0.000 2.720 54 R HA 0.390 4.731 4.340 0.001 0.000 0.272 54 R C 1.007 177.309 176.300 0.002 0.000 0.991 54 R CA -0.559 55.539 56.100 -0.003 0.000 1.010 54 R CB 1.254 31.544 30.300 -0.016 0.000 1.141 54 R HN 0.048 nan 8.270 nan 0.000 0.494 55 K N 0.765 121.163 120.400 -0.004 0.000 2.009 55 K HA -0.101 4.220 4.320 0.001 0.000 0.210 55 K C 0.115 176.721 176.600 0.009 0.000 1.049 55 K CA 1.657 57.942 56.287 -0.003 0.000 0.929 55 K CB 0.140 32.630 32.500 -0.017 0.000 0.714 55 K HN 0.686 nan 8.250 nan 0.000 0.440 56 S N -0.933 114.778 115.700 0.019 0.000 2.546 56 S HA 0.567 5.038 4.470 0.001 0.000 0.274 56 S C -0.999 173.649 174.600 0.080 0.000 1.121 56 S CA -1.155 57.090 58.200 0.074 0.000 0.887 56 S CB 2.507 65.765 63.200 0.097 0.000 1.094 56 S HN -0.093 nan 8.310 nan 0.000 0.474 57 V N 2.449 122.393 119.914 0.050 0.000 2.569 57 V HA 0.544 4.664 4.120 0.001 0.000 0.301 57 V C -1.116 174.812 176.094 -0.277 0.000 1.044 57 V CA -0.587 61.658 62.300 -0.092 0.000 0.874 57 V CB 1.463 33.219 31.823 -0.112 0.000 1.002 57 V HN 0.913 nan 8.190 nan 0.000 0.424 58 L N 5.869 126.816 121.223 -0.459 0.000 2.295 58 L HA 0.707 5.047 4.340 0.001 0.000 0.285 58 L C -0.847 175.748 176.870 -0.457 0.000 1.035 58 L CA -0.351 54.054 54.840 -0.726 0.000 0.806 58 L CB 1.492 42.900 42.059 -1.084 0.000 1.214 58 L HN 0.617 nan 8.230 nan 0.000 0.426 59 L N 7.201 128.161 121.223 -0.439 0.000 2.356 59 L HA 0.508 4.849 4.340 0.001 0.000 0.264 59 L C -0.449 176.208 176.870 -0.354 0.000 1.029 59 L CA -0.269 54.367 54.840 -0.339 0.000 0.897 59 L CB 0.569 42.444 42.059 -0.308 0.000 1.256 59 L HN 0.612 nan 8.230 nan 0.000 0.444 60 I N 0.392 120.752 120.570 -0.351 0.000 2.428 60 I HA 0.660 4.830 4.170 0.001 0.000 0.296 60 I C -0.301 175.599 176.117 -0.363 0.000 0.985 60 I CA -0.197 60.880 61.300 -0.372 0.000 1.260 60 I CB 1.857 39.599 38.000 -0.430 0.000 1.389 60 I HN 0.561 nan 8.210 nan 0.000 0.484 61 S N 3.268 118.842 115.700 -0.211 0.000 2.605 61 S HA 0.386 4.857 4.470 0.001 0.000 0.308 61 S C 0.373 175.021 174.600 0.080 0.000 1.113 61 S CA -0.495 57.674 58.200 -0.052 0.000 1.049 61 S CB 1.589 64.807 63.200 0.030 0.000 1.001 61 S HN 0.788 nan 8.310 nan 0.000 0.480 62 T N 2.545 117.204 114.554 0.175 0.000 3.081 62 T HA 0.106 4.456 4.350 0.001 0.000 0.250 62 T C 0.210 175.039 174.700 0.214 0.000 1.100 62 T CA 0.123 62.398 62.100 0.292 0.000 1.038 62 T CB -0.203 68.973 68.868 0.513 0.000 0.962 62 T HN 0.628 nan 8.240 nan 0.000 0.516 63 D N 2.635 123.135 120.400 0.166 0.000 2.382 63 D HA 0.039 4.680 4.640 0.001 0.000 0.259 63 D C -1.329 174.920 176.300 -0.084 0.000 1.224 63 D CA -2.039 52.005 54.000 0.075 0.000 0.894 63 D CB 1.520 42.366 40.800 0.076 0.000 1.127 63 D HN 0.109 nan 8.370 nan 0.000 0.487 64 P HA -0.075 nan 4.420 nan 0.000 0.226 64 P C 0.678 177.671 177.300 -0.512 0.000 1.153 64 P CA 0.506 63.395 63.100 -0.352 0.000 0.777 64 P CB 0.283 31.903 31.700 -0.133 0.000 0.794 65 A N -0.879 121.771 122.820 -0.283 0.000 2.123 65 A HA -0.042 4.279 4.320 0.001 0.000 0.214 65 A C 0.542 178.084 177.584 -0.070 0.000 1.152 65 A CA 0.158 52.105 52.037 -0.149 0.000 0.728 65 A CB -1.547 17.425 19.000 -0.048 0.000 0.814 65 A HN 0.268 nan 8.150 nan 0.000 0.464 66 H N -0.557 118.551 119.070 0.063 0.000 2.527 66 H HA -0.149 4.407 4.556 0.001 0.000 0.321 66 H C 0.522 175.903 175.328 0.088 0.000 1.092 66 H CA 0.187 56.284 56.048 0.081 0.000 1.118 66 H CB -1.351 28.463 29.762 0.088 0.000 1.536 66 H HN 0.443 nan 8.280 nan 0.000 0.407 67 N N 0.221 119.007 118.700 0.144 0.000 2.550 67 N HA -0.046 4.694 4.740 0.001 0.000 0.186 67 N C 1.662 177.252 175.510 0.134 0.000 1.110 67 N CA 0.237 53.349 53.050 0.103 0.000 0.912 67 N CB 0.092 38.606 38.487 0.045 0.000 0.968 67 N HN 0.399 nan 8.380 nan 0.000 0.448 68 L N -0.093 121.244 121.223 0.190 0.000 2.265 68 L HA -0.023 4.317 4.340 0.001 0.000 0.215 68 L C 1.924 179.072 176.870 0.463 0.000 1.117 68 L CA 1.315 56.302 54.840 0.244 0.000 0.782 68 L CB -0.494 41.658 42.059 0.155 0.000 0.914 68 L HN 0.033 nan 8.230 nan 0.000 0.441 69 S N -0.946 114.991 115.700 0.394 0.000 2.356 69 S HA -0.081 4.389 4.470 0.001 0.000 0.219 69 S C 1.453 176.161 174.600 0.179 0.000 1.036 69 S CA 0.824 59.209 58.200 0.307 0.000 0.965 69 S CB -0.166 63.130 63.200 0.160 0.000 0.864 69 S HN 0.482 nan 8.310 nan 0.000 0.471 70 D N 2.225 122.700 120.400 0.125 0.000 2.221 70 D HA -0.050 4.591 4.640 0.001 0.000 0.204 70 D C 1.942 178.267 176.300 0.042 0.000 0.982 70 D CA 1.063 55.102 54.000 0.064 0.000 0.857 70 D CB -0.271 40.555 40.800 0.043 0.000 0.934 70 D HN 0.386 nan 8.370 nan 0.000 0.475 71 A N 0.573 123.419 122.820 0.043 0.000 1.841 71 A HA -0.107 4.213 4.320 0.001 0.000 0.214 71 A C 1.809 179.334 177.584 -0.099 0.000 1.195 71 A CA 0.857 52.844 52.037 -0.083 0.000 0.611 71 A CB -0.851 18.046 19.000 -0.171 0.000 0.835 71 A HN 0.126 nan 8.150 nan 0.000 0.443 72 F N 0.017 120.040 119.950 0.122 0.000 2.780 72 F HA 0.303 4.830 4.527 0.001 0.000 0.299 72 F C 1.747 177.586 175.800 0.064 0.000 1.146 72 F CA 0.424 58.505 58.000 0.134 0.000 1.428 72 F CB -0.285 38.873 39.000 0.263 0.000 1.115 72 F HN 0.360 nan 8.300 nan 0.000 0.583 73 G N 1.657 110.558 108.800 0.168 0.000 2.350 73 G HA2 -0.286 3.674 3.960 0.001 0.000 0.298 73 G HA3 -0.286 3.674 3.960 0.001 0.000 0.298 73 G C -0.121 174.783 174.900 0.007 0.000 1.037 73 G CA 0.562 45.703 45.100 0.069 0.000 1.074 73 G HN 0.471 nan 8.290 nan 0.000 0.511 74 Q N -1.028 118.718 119.800 -0.090 0.000 2.352 74 Q HA 0.400 4.741 4.340 0.001 0.000 0.270 74 Q C -0.726 174.904 176.000 -0.616 0.000 1.006 74 Q CA -0.981 54.624 55.803 -0.330 0.000 0.880 74 Q CB 1.185 29.686 28.738 -0.395 0.000 1.392 74 Q HN 0.254 nan 8.270 nan 0.000 0.401 75 K N 3.242 123.353 120.400 -0.482 0.000 2.312 75 K HA 0.317 4.637 4.320 0.001 0.000 0.287 75 K C -1.343 174.950 176.600 -0.512 0.000 1.062 75 K CA 0.030 56.089 56.287 -0.379 0.000 0.934 75 K CB 0.342 32.733 32.500 -0.182 0.000 1.027 75 K HN 0.302 nan 8.250 nan 0.000 0.478 76 F N 1.264 121.192 119.950 -0.037 0.000 2.507 76 F HA 0.552 5.080 4.527 0.001 0.000 0.327 76 F C 1.012 176.750 175.800 -0.104 0.000 1.068 76 F CA -0.452 57.507 58.000 -0.068 0.000 0.965 76 F CB 2.017 40.976 39.000 -0.069 0.000 1.192 76 F HN 0.629 nan 8.300 nan 0.000 0.476 77 G N 0.660 109.521 108.800 0.102 0.000 3.247 77 G HA2 0.287 4.247 3.960 0.001 0.000 0.226 77 G HA3 0.287 4.247 3.960 0.001 0.000 0.226 77 G C -0.112 174.773 174.900 -0.026 0.000 1.220 77 G CA -0.637 44.460 45.100 -0.006 0.000 0.875 77 G HN 0.525 nan 8.290 nan 0.000 0.606 78 K N -0.131 120.251 120.400 -0.030 0.000 2.418 78 K HA 0.132 4.452 4.320 0.001 0.000 0.195 78 K C 0.069 176.655 176.600 -0.024 0.000 1.035 78 K CA 0.446 56.715 56.287 -0.030 0.000 1.003 78 K CB 0.159 32.648 32.500 -0.019 0.000 0.793 78 K HN 0.241 nan 8.250 nan 0.000 0.494 79 E N 0.970 121.165 120.200 -0.009 0.000 2.200 79 E HA 0.144 4.494 4.350 0.001 0.000 0.283 79 E C -0.925 175.679 176.600 0.007 0.000 1.015 79 E CA -0.281 56.119 56.400 0.000 0.000 0.819 79 E CB 1.538 31.243 29.700 0.008 0.000 1.081 79 E HN 0.209 nan 8.360 nan 0.000 0.397 80 A N 5.496 128.314 122.820 -0.004 0.000 2.496 80 A HA 0.064 4.385 4.320 0.001 0.000 0.278 80 A C 0.384 177.986 177.584 0.030 0.000 1.137 80 A CA 0.159 52.184 52.037 -0.021 0.000 0.805 80 A CB -0.096 18.896 19.000 -0.014 0.000 1.077 80 A HN 0.445 nan 8.150 nan 0.000 0.513 81 R N 1.603 122.137 120.500 0.057 0.000 2.674 81 R HA 0.575 4.916 4.340 0.001 0.000 0.266 81 R C -0.989 175.359 176.300 0.080 0.000 1.016 81 R CA -1.052 55.108 56.100 0.100 0.000 1.062 81 R CB 0.845 31.247 30.300 0.170 0.000 1.142 81 R HN 0.529 nan 8.270 nan 0.000 0.517 82 L N 1.795 123.065 121.223 0.078 0.000 2.281 82 L HA 0.145 4.485 4.340 0.001 0.000 0.285 82 L C -0.556 176.359 176.870 0.076 0.000 1.074 82 L CA -0.254 54.620 54.840 0.057 0.000 0.817 82 L CB 1.504 43.598 42.059 0.057 0.000 1.168 82 L HN 0.332 nan 8.230 nan 0.000 0.434 83 V N 5.503 125.423 119.914 0.009 0.000 2.557 83 V HA -0.061 4.059 4.120 0.001 0.000 0.301 83 V C 1.223 177.381 176.094 0.107 0.000 1.026 83 V CA -0.105 62.178 62.300 -0.029 0.000 1.137 83 V CB 0.183 31.726 31.823 -0.467 0.000 0.917 83 V HN 0.756 nan 8.190 nan 0.000 0.484 84 D N 4.986 125.439 120.400 0.089 0.000 2.126 84 D HA -0.153 4.487 4.640 0.001 0.000 0.190 84 D C 2.055 178.393 176.300 0.065 0.000 1.001 84 D CA 2.072 56.116 54.000 0.073 0.000 0.841 84 D CB -0.250 40.577 40.800 0.045 0.000 0.949 84 D HN 0.804 nan 8.370 nan 0.000 0.446 85 G N -1.772 107.067 108.800 0.065 0.000 2.956 85 G HA2 0.033 3.994 3.960 0.001 0.000 0.207 85 G HA3 0.033 3.994 3.960 0.001 0.000 0.207 85 G C -0.066 174.533 174.900 -0.502 0.000 1.162 85 G CA 0.173 45.122 45.100 -0.251 0.000 0.796 85 G HN 0.221 nan 8.290 nan 0.000 0.527 86 Y N -1.379 118.917 120.300 -0.005 0.000 2.662 86 Y HA 0.449 4.999 4.550 0.000 0.000 0.335 86 Y C 1.192 177.088 175.900 -0.007 0.000 1.066 86 Y CA -0.545 57.552 58.100 -0.005 0.000 1.116 86 Y CB 1.958 40.405 38.460 -0.021 0.000 1.308 86 Y HN 0.009 nan 8.280 nan 0.000 0.502 87 S N -1.368 114.432 115.700 0.168 0.000 2.589 87 S HA 0.031 4.501 4.470 0.001 0.000 0.235 87 S C 0.377 175.027 174.600 0.084 0.000 1.051 87 S CA 0.180 58.433 58.200 0.090 0.000 0.978 87 S CB 0.015 63.246 63.200 0.052 0.000 0.929 87 S HN 0.768 nan 8.310 nan 0.000 0.523 88 N N 0.815 119.576 118.700 0.101 0.000 2.160 88 N HA 0.267 5.008 4.740 0.001 0.000 0.226 88 N C -0.490 175.054 175.510 0.057 0.000 1.256 88 N CA -0.320 52.777 53.050 0.079 0.000 0.890 88 N CB 0.200 38.723 38.487 0.061 0.000 1.116 88 N HN 0.393 nan 8.380 nan 0.000 0.517 89 L N 1.379 122.610 121.223 0.013 0.000 2.287 89 L HA 0.621 4.962 4.340 0.001 0.000 0.287 89 L C -0.861 175.908 176.870 -0.169 0.000 1.022 89 L CA -0.156 54.598 54.840 -0.143 0.000 0.814 89 L CB 1.585 43.430 42.059 -0.356 0.000 1.217 89 L HN 0.022 nan 8.230 nan 0.000 0.420 90 S N 3.318 118.871 115.700 -0.245 0.000 2.570 90 S HA 0.966 5.437 4.470 0.001 0.000 0.286 90 S C -0.899 173.434 174.600 -0.446 0.000 1.099 90 S CA -0.508 57.530 58.200 -0.270 0.000 0.913 90 S CB 1.875 64.980 63.200 -0.159 0.000 1.085 90 S HN 0.881 nan 8.310 nan 0.000 0.480 91 A N 2.475 124.998 122.820 -0.495 0.000 2.414 91 A HA 0.891 5.212 4.320 0.001 0.000 0.306 91 A C -0.660 176.602 177.584 -0.537 0.000 1.054 91 A CA -0.872 50.732 52.037 -0.721 0.000 0.724 91 A CB 1.005 19.156 19.000 -1.415 0.000 1.267 91 A HN 0.922 nan 8.150 nan 0.000 0.418 92 M N 0.309 119.661 119.600 -0.413 0.000 2.550 92 M HA 0.770 5.250 4.480 0.001 0.000 0.292 92 M C -1.329 174.857 176.300 -0.190 0.000 1.221 92 M CA -0.360 54.801 55.300 -0.231 0.000 0.873 92 M CB 2.207 34.703 32.600 -0.174 0.000 1.727 92 M HN 0.473 nan 8.290 nan 0.000 0.459 93 E N 2.896 123.028 120.200 -0.112 0.000 2.186 93 E HA 0.446 4.797 4.350 0.001 0.000 0.255 93 E C -0.904 175.673 176.600 -0.038 0.000 0.881 93 E CA -0.705 55.645 56.400 -0.082 0.000 0.752 93 E CB 1.758 31.336 29.700 -0.204 0.000 1.176 93 E HN 0.545 nan 8.360 nan 0.000 0.421 94 I N 2.144 122.736 120.570 0.036 0.000 2.588 94 I HA 0.102 4.273 4.170 0.001 0.000 0.283 94 I C 0.295 176.514 176.117 0.170 0.000 1.119 94 I CA 0.056 61.411 61.300 0.092 0.000 1.419 94 I CB 0.213 38.309 38.000 0.161 0.000 1.394 94 I HN 0.391 nan 8.210 nan 0.000 0.562 95 D N 7.821 128.304 120.400 0.138 0.000 2.198 95 D HA 0.275 4.915 4.640 0.001 0.000 0.245 95 D C -1.486 174.915 176.300 0.167 0.000 1.079 95 D CA -1.439 52.655 54.000 0.156 0.000 0.854 95 D CB 1.949 42.810 40.800 0.102 0.000 1.148 95 D HN 0.246 nan 8.370 nan 0.000 0.456 96 P HA -0.116 nan 4.420 nan 0.000 0.213 96 P C -0.452 176.919 177.300 0.119 0.000 1.170 96 P CA 0.883 64.085 63.100 0.170 0.000 0.898 96 P CB 0.153 31.929 31.700 0.127 0.000 0.787 97 N N -2.917 115.832 118.700 0.082 0.000 2.816 97 N HA -0.105 4.636 4.740 0.001 0.000 0.247 97 N C 0.196 175.730 175.510 0.040 0.000 1.100 97 N CA -0.068 53.014 53.050 0.053 0.000 0.687 97 N CB -1.551 36.963 38.487 0.046 0.000 1.003 97 N HN 0.239 nan 8.380 nan 0.000 0.554 98 G N 0.231 109.057 108.800 0.042 0.000 2.442 98 G HA2 0.427 4.388 3.960 0.001 0.000 0.249 98 G HA3 0.427 4.388 3.960 0.001 0.000 0.249 98 G C 0.425 175.340 174.900 0.026 0.000 1.263 98 G CA 0.213 45.334 45.100 0.036 0.000 0.846 98 G HN 0.310 nan 8.290 nan 0.000 0.555 99 S N 1.453 117.169 115.700 0.028 0.000 2.730 99 S HA 0.390 4.860 4.470 0.001 0.000 0.284 99 S C 1.462 176.078 174.600 0.027 0.000 1.153 99 S CA -0.908 57.306 58.200 0.024 0.000 0.995 99 S CB 1.499 64.712 63.200 0.022 0.000 1.058 99 S HN 0.410 nan 8.310 nan 0.000 0.552 100 I N 0.704 121.288 120.570 0.024 0.000 2.286 100 I HA -0.186 3.984 4.170 0.001 0.000 0.248 100 I C 2.784 178.921 176.117 0.034 0.000 1.115 100 I CA 1.073 62.390 61.300 0.027 0.000 1.392 100 I CB -0.402 37.612 38.000 0.022 0.000 1.065 100 I HN 0.628 nan 8.210 nan 0.000 0.418 101 Q N 0.683 120.502 119.800 0.031 0.000 2.050 101 Q HA -0.231 4.110 4.340 0.001 0.000 0.202 101 Q C 1.847 177.873 176.000 0.043 0.000 0.980 101 Q CA 1.774 57.597 55.803 0.034 0.000 0.840 101 Q CB -0.407 28.347 28.738 0.028 0.000 0.898 101 Q HN 0.465 nan 8.270 nan 0.000 0.424 102 D N 0.487 120.914 120.400 0.045 0.000 2.133 102 D HA -0.184 4.457 4.640 0.001 0.000 0.192 102 D C 1.867 178.213 176.300 0.077 0.000 1.001 102 D CA 0.824 54.858 54.000 0.057 0.000 0.844 102 D CB -0.229 40.604 40.800 0.055 0.000 0.944 102 D HN 0.075 nan 8.370 nan 0.000 0.447 103 L N 0.305 121.575 121.223 0.078 0.000 2.005 103 L HA -0.051 4.289 4.340 0.001 0.000 0.207 103 L C 2.129 179.065 176.870 0.110 0.000 1.072 103 L CA 1.397 56.306 54.840 0.115 0.000 0.744 103 L CB -0.680 41.432 42.059 0.088 0.000 0.895 103 L HN 0.097 nan 8.230 nan 0.000 0.433 104 L N -0.531 120.737 121.223 0.075 0.000 2.261 104 L HA -0.203 4.137 4.340 0.001 0.000 0.216 104 L C 2.369 179.268 176.870 0.050 0.000 1.114 104 L CA 1.026 55.902 54.840 0.059 0.000 0.777 104 L CB -0.806 41.279 42.059 0.044 0.000 0.910 104 L HN 0.392 nan 8.230 nan 0.000 0.440 105 A N -0.661 122.190 122.820 0.052 0.000 2.169 105 A HA 0.015 4.336 4.320 0.001 0.000 0.212 105 A C 1.528 179.133 177.584 0.034 0.000 1.153 105 A CA 0.651 52.712 52.037 0.041 0.000 0.756 105 A CB -0.251 18.774 19.000 0.043 0.000 0.813 105 A HN 0.460 nan 8.150 nan 0.000 0.471 126 D N -0.378 120.049 120.400 0.045 0.000 2.389 126 D HA 0.025 4.665 4.640 0.001 0.000 0.206 126 D C 0.806 177.173 176.300 0.112 0.000 1.055 126 D CA -0.031 54.033 54.000 0.107 0.000 0.856 126 D CB 0.230 41.092 40.800 0.104 0.000 0.957 126 D HN 0.033 nan 8.370 nan 0.000 0.509 127 L N 0.737 121.981 121.223 0.035 0.000 2.801 127 L HA 0.400 4.740 4.340 0.001 0.000 0.250 127 L C 1.620 178.476 176.870 -0.023 0.000 1.222 127 L CA -0.043 54.812 54.840 0.025 0.000 1.054 127 L CB -0.838 41.217 42.059 -0.008 0.000 1.330 127 L HN 0.203 nan 8.230 nan 0.000 0.426 128 A N -1.739 121.020 122.820 -0.102 0.000 2.063 128 A HA 0.153 4.473 4.320 0.001 0.000 0.211 128 A C 1.202 178.530 177.584 -0.427 0.000 1.177 128 A CA 0.335 52.177 52.037 -0.326 0.000 0.759 128 A CB -0.158 18.521 19.000 -0.535 0.000 0.857 128 A HN 0.285 nan 8.150 nan 0.000 0.468 129 F N 0.506 120.493 119.950 0.060 0.000 2.772 129 F HA 0.163 4.690 4.527 0.001 0.000 0.302 129 F C 1.918 177.746 175.800 0.047 0.000 1.136 129 F CA 0.312 58.333 58.000 0.034 0.000 1.322 129 F CB 0.253 39.255 39.000 0.002 0.000 0.967 129 F HN 0.230 nan 8.300 nan 0.000 0.513 130 S N -0.569 115.252 115.700 0.202 0.000 2.458 130 S HA 0.123 4.594 4.470 0.001 0.000 0.223 130 S C 0.731 175.405 174.600 0.124 0.000 1.019 130 S CA 0.157 58.491 58.200 0.225 0.000 0.937 130 S CB -0.073 63.220 63.200 0.155 0.000 0.788 130 S HN 0.073 nan 8.310 nan 0.000 0.511 131 I N 3.729 124.351 120.570 0.087 0.000 2.371 131 I HA 0.413 4.584 4.170 0.001 0.000 0.290 131 I C -2.628 173.548 176.117 0.099 0.000 1.028 131 I CA -2.447 58.896 61.300 0.072 0.000 1.345 131 I CB -0.124 37.909 38.000 0.055 0.000 1.407 131 I HN 0.049 nan 8.210 nan 0.000 0.501 132 P HA 0.249 nan 4.420 nan 0.000 0.274 132 P C 0.245 177.648 177.300 0.172 0.000 1.231 132 P CA -0.196 63.024 63.100 0.200 0.000 0.790 132 P CB 0.749 32.696 31.700 0.411 0.000 0.951 133 G N 0.211 109.096 108.800 0.141 0.000 2.504 133 G HA2 0.260 4.220 3.960 0.001 0.000 0.288 133 G HA3 0.260 4.220 3.960 0.001 0.000 0.288 133 G C 1.037 175.979 174.900 0.071 0.000 1.182 133 G CA -0.638 44.519 45.100 0.094 0.000 0.894 133 G HN 0.293 nan 8.290 nan 0.000 0.521 134 V N 0.516 120.460 119.914 0.050 0.000 2.490 134 V HA -0.128 3.992 4.120 0.001 0.000 0.250 134 V C 2.360 178.450 176.094 -0.007 0.000 1.061 134 V CA 2.015 64.331 62.300 0.026 0.000 1.064 134 V CB -0.336 31.504 31.823 0.028 0.000 0.670 134 V HN 0.636 nan 8.190 nan 0.000 0.461 135 D N -0.417 119.984 120.400 0.001 0.000 2.103 135 D HA -0.160 4.481 4.640 0.001 0.000 0.199 135 D C 2.182 178.458 176.300 -0.039 0.000 0.978 135 D CA 1.412 55.405 54.000 -0.011 0.000 0.829 135 D CB -0.025 40.779 40.800 0.007 0.000 0.981 135 D HN 0.596 nan 8.370 nan 0.000 0.464 136 E N 0.753 120.931 120.200 -0.035 0.000 2.051 136 E HA -0.166 4.185 4.350 0.001 0.000 0.192 136 E C 2.016 178.427 176.600 -0.316 0.000 0.991 136 E CA 1.075 57.433 56.400 -0.071 0.000 0.799 136 E CB 0.015 29.735 29.700 0.033 0.000 0.748 136 E HN 0.116 nan 8.360 nan 0.000 0.449 137 A N 1.131 123.691 122.820 -0.434 0.000 1.892 137 A HA -0.243 4.077 4.320 0.001 0.000 0.218 137 A C 2.267 179.603 177.584 -0.414 0.000 1.188 137 A CA 2.010 53.554 52.037 -0.822 0.000 0.631 137 A CB -0.673 18.174 19.000 -0.256 0.000 0.822 137 A HN 0.373 nan 8.150 nan 0.000 0.447 138 M N -0.771 118.720 119.600 -0.182 0.000 2.108 138 M HA -0.166 4.315 4.480 0.001 0.000 0.261 138 M C 2.583 178.838 176.300 -0.075 0.000 1.066 138 M CA 1.889 57.135 55.300 -0.089 0.000 1.107 138 M CB -0.236 32.336 32.600 -0.046 0.000 1.356 138 M HN 0.589 nan 8.290 nan 0.000 0.406 139 S N -0.055 115.600 115.700 -0.074 0.000 2.356 139 S HA -0.198 4.272 4.470 0.001 0.000 0.223 139 S C 1.770 176.365 174.600 -0.007 0.000 1.032 139 S CA 1.327 59.510 58.200 -0.029 0.000 1.005 139 S CB -0.448 62.751 63.200 -0.001 0.000 0.867 139 S HN 0.488 nan 8.310 nan 0.000 0.449 140 F N 2.365 122.209 119.950 -0.178 0.000 2.102 140 F HA 0.011 4.538 4.527 0.001 0.000 0.298 140 F C 2.414 178.186 175.800 -0.047 0.000 1.105 140 F CA 1.292 59.237 58.000 -0.091 0.000 1.239 140 F CB -0.933 37.988 39.000 -0.131 0.000 0.991 140 F HN 0.296 nan 8.300 nan 0.000 0.474 141 A N 0.046 122.880 122.820 0.024 0.000 1.917 141 A HA -0.220 4.101 4.320 0.001 0.000 0.219 141 A C 2.169 179.709 177.584 -0.074 0.000 1.182 141 A CA 1.934 53.964 52.037 -0.011 0.000 0.633 141 A CB -0.793 18.212 19.000 0.009 0.000 0.819 141 A HN 0.469 nan 8.150 nan 0.000 0.448 142 E N -0.283 119.875 120.200 -0.070 0.000 2.110 142 E HA -0.107 4.244 4.350 0.001 0.000 0.193 142 E C 2.182 178.726 176.600 -0.092 0.000 0.988 142 E CA 1.296 57.658 56.400 -0.063 0.000 0.804 142 E CB -0.371 29.302 29.700 -0.044 0.000 0.745 142 E HN 0.448 nan 8.360 nan 0.000 0.458 143 V N 1.499 121.320 119.914 -0.156 0.000 2.323 143 V HA -0.210 3.910 4.120 0.001 0.000 0.244 143 V C 2.556 178.530 176.094 -0.201 0.000 1.041 143 V CA 1.103 63.290 62.300 -0.189 0.000 1.025 143 V CB -0.494 31.170 31.823 -0.265 0.000 0.656 143 V HN 0.194 nan 8.190 nan 0.000 0.451 144 L N -0.254 120.795 121.223 -0.290 0.000 2.043 144 L HA -0.273 4.067 4.340 0.001 0.000 0.212 144 L C 2.625 179.472 176.870 -0.038 0.000 1.075 144 L CA 1.906 56.659 54.840 -0.146 0.000 0.752 144 L CB -0.560 41.412 42.059 -0.145 0.000 0.891 144 L HN 0.315 nan 8.230 nan 0.000 0.432 145 K N -0.382 119.988 120.400 -0.051 0.000 2.009 145 K HA -0.254 4.067 4.320 0.001 0.000 0.210 145 K C 2.187 178.778 176.600 -0.015 0.000 1.049 145 K CA 1.708 57.982 56.287 -0.022 0.000 0.929 145 K CB -0.089 32.395 32.500 -0.027 0.000 0.714 145 K HN 0.317 nan 8.250 nan 0.000 0.440 146 Q N -0.021 119.762 119.800 -0.028 0.000 2.045 146 Q HA -0.207 4.134 4.340 0.001 0.000 0.206 146 Q C 2.099 178.101 176.000 0.003 0.000 0.991 146 Q CA 2.060 57.852 55.803 -0.017 0.000 0.851 146 Q CB -0.179 28.542 28.738 -0.028 0.000 0.911 146 Q HN 0.165 nan 8.270 nan 0.000 0.418 147 V N 1.166 121.085 119.914 0.007 0.000 2.332 147 V HA -0.301 3.819 4.120 0.001 0.000 0.248 147 V C 2.271 178.399 176.094 0.057 0.000 1.055 147 V CA 1.964 64.290 62.300 0.045 0.000 1.038 147 V CB -0.518 31.333 31.823 0.046 0.000 0.651 147 V HN 0.342 nan 8.190 nan 0.000 0.450 148 K N -0.283 120.146 120.400 0.048 0.000 2.097 148 K HA -0.148 4.173 4.320 0.001 0.000 0.205 148 K C 2.378 178.980 176.600 0.004 0.000 1.050 148 K CA 1.557 57.866 56.287 0.037 0.000 0.938 148 K CB -0.136 32.394 32.500 0.051 0.000 0.718 148 K HN 0.458 nan 8.250 nan 0.000 0.442 149 S N 1.409 117.108 115.700 -0.002 0.000 2.368 149 S HA -0.097 4.373 4.470 0.001 0.000 0.225 149 S C 1.758 176.328 174.600 -0.049 0.000 1.030 149 S CA 1.010 59.197 58.200 -0.022 0.000 0.999 149 S CB -0.176 63.013 63.200 -0.019 0.000 0.844 149 S HN 0.283 nan 8.310 nan 0.000 0.459 150 L N 1.349 122.547 121.223 -0.042 0.000 2.265 150 L HA -0.021 4.320 4.340 0.001 0.000 0.215 150 L C 0.653 177.377 176.870 -0.244 0.000 1.117 150 L CA 0.319 55.084 54.840 -0.124 0.000 0.782 150 L CB -0.671 41.384 42.059 -0.007 0.000 0.914 150 L HN 0.164 nan 8.230 nan 0.000 0.441 151 S N -0.837 114.783 115.700 -0.133 0.000 3.608 151 S HA -0.211 4.260 4.470 0.001 0.000 0.382 151 S C -0.218 174.253 174.600 -0.215 0.000 0.945 151 S CA 0.227 58.342 58.200 -0.141 0.000 1.256 151 S CB -1.489 61.630 63.200 -0.134 0.000 0.913 151 S HN 0.250 nan 8.310 nan 0.000 0.518 152 Y N 0.620 120.846 120.300 -0.125 0.000 2.319 152 Y HA 0.279 4.829 4.550 0.001 0.000 0.328 152 Y C 1.555 177.355 175.900 -0.168 0.000 1.133 152 Y CA -0.263 57.751 58.100 -0.144 0.000 1.265 152 Y CB 0.606 38.963 38.460 -0.171 0.000 1.218 152 Y HN 0.398 nan 8.280 nan 0.000 0.508 153 E N 1.853 122.061 120.200 0.014 0.000 2.049 153 E HA -0.129 4.222 4.350 0.001 0.000 0.198 153 E C -0.448 176.089 176.600 -0.105 0.000 1.007 153 E CA 1.390 57.761 56.400 -0.048 0.000 0.809 153 E CB 0.138 29.819 29.700 -0.032 0.000 0.749 153 E HN 0.344 nan 8.360 nan 0.000 0.450 154 V N -0.334 119.508 119.914 -0.119 0.000 3.049 154 V HA 0.436 4.556 4.120 0.001 0.000 0.309 154 V C -1.360 174.575 176.094 -0.265 0.000 1.148 154 V CA -0.878 61.297 62.300 -0.208 0.000 0.990 154 V CB 1.879 33.618 31.823 -0.140 0.000 1.039 154 V HN 0.157 nan 8.190 nan 0.000 0.430 155 I N 5.159 125.503 120.570 -0.377 0.000 2.418 155 I HA 0.454 4.624 4.170 0.001 0.000 0.287 155 I C -0.678 175.322 176.117 -0.196 0.000 1.008 155 I CA -0.908 60.180 61.300 -0.353 0.000 1.104 155 I CB 2.069 39.740 38.000 -0.549 0.000 1.264 155 I HN 0.281 nan 8.210 nan 0.000 0.438 156 V N 6.748 126.562 119.914 -0.166 0.000 2.406 156 V HA 0.210 4.331 4.120 0.001 0.000 0.272 156 V C -0.385 175.678 176.094 -0.052 0.000 1.043 156 V CA -0.309 61.933 62.300 -0.096 0.000 0.915 156 V CB 1.129 32.894 31.823 -0.096 0.000 0.988 156 V HN 0.456 nan 8.190 nan 0.000 0.466 157 F N 3.835 123.705 119.950 -0.132 0.000 2.303 157 F HA 0.348 4.876 4.527 0.001 0.000 0.368 157 F C 0.546 176.362 175.800 0.027 0.000 1.105 157 F CA -0.699 57.273 58.000 -0.045 0.000 1.153 157 F CB 0.746 39.648 39.000 -0.163 0.000 1.362 157 F HN 0.550 nan 8.300 nan 0.000 0.511 158 D N 4.648 125.134 120.400 0.145 0.000 2.383 158 D HA 0.047 4.688 4.640 0.001 0.000 0.245 158 D C 0.384 176.868 176.300 0.307 0.000 1.263 158 D CA 0.067 54.162 54.000 0.158 0.000 0.936 158 D CB 0.513 41.343 40.800 0.050 0.000 1.053 158 D HN 0.502 nan 8.370 nan 0.000 0.507 159 T N 0.597 115.373 114.554 0.370 0.000 2.813 159 T HA 0.482 4.833 4.350 0.001 0.000 0.297 159 T C 0.460 175.303 174.700 0.238 0.000 1.036 159 T CA -0.901 61.438 62.100 0.398 0.000 1.044 159 T CB 1.188 70.232 68.868 0.293 0.000 0.993 159 T HN 0.341 nan 8.240 nan 0.000 0.535 160 A N 2.546 125.494 122.820 0.214 0.000 2.362 160 A HA 0.528 4.849 4.320 0.001 0.000 0.276 160 A C -1.777 175.856 177.584 0.082 0.000 1.153 160 A CA -1.793 50.322 52.037 0.130 0.000 0.813 160 A CB -0.066 19.009 19.000 0.125 0.000 1.081 160 A HN 0.712 nan 8.150 nan 0.000 0.507 161 P HA 0.034 nan 4.420 nan 0.000 0.258 161 P C 0.671 177.981 177.300 0.016 0.000 1.403 161 P CA 0.660 63.780 63.100 0.033 0.000 0.826 161 P CB -0.210 31.505 31.700 0.025 0.000 1.414 162 T N -4.681 109.888 114.554 0.026 0.000 2.946 162 T HA 0.394 4.745 4.350 0.001 0.000 0.295 162 T C 1.707 176.377 174.700 -0.050 0.000 1.143 162 T CA 0.072 62.186 62.100 0.023 0.000 0.944 162 T CB -0.215 68.717 68.868 0.107 0.000 1.800 162 T HN -0.049 nan 8.240 nan 0.000 0.590 163 G N -1.158 107.562 108.800 -0.133 0.000 2.712 163 G HA2 0.035 3.996 3.960 0.001 0.000 0.212 163 G HA3 0.035 3.996 3.960 0.001 0.000 0.212 163 G C 0.900 175.493 174.900 -0.511 0.000 1.142 163 G CA 0.002 44.886 45.100 -0.360 0.000 0.789 163 G HN 0.869 nan 8.290 nan 0.000 0.535 164 H N 0.316 119.343 119.070 -0.071 0.000 2.490 164 H HA 0.179 4.735 4.556 0.001 0.000 0.285 164 H C 1.432 176.648 175.328 -0.186 0.000 1.127 164 H CA 0.167 56.143 56.048 -0.120 0.000 0.993 164 H CB 0.092 29.808 29.762 -0.077 0.000 1.653 164 H HN 0.095 nan 8.280 nan 0.000 0.557 165 T N 0.897 115.380 114.554 -0.120 0.000 2.685 165 T HA -0.125 4.226 4.350 0.001 0.000 0.268 165 T C 1.762 176.200 174.700 -0.436 0.000 1.034 165 T CA 1.034 63.042 62.100 -0.153 0.000 1.149 165 T CB 0.080 68.883 68.868 -0.108 0.000 0.860 165 T HN 0.357 nan 8.240 nan 0.000 0.449 166 L N 0.955 121.831 121.223 -0.580 0.000 2.741 166 L HA 0.319 4.660 4.340 0.001 0.000 0.237 166 L C 2.294 178.532 176.870 -1.053 0.000 1.178 166 L CA -0.202 54.015 54.840 -1.038 0.000 0.973 166 L CB -0.244 41.335 42.059 -0.801 0.000 1.255 166 L HN 0.174 nan 8.230 nan 0.000 0.498 167 R N 1.691 121.758 120.500 -0.723 0.000 2.127 167 R HA -0.218 4.122 4.340 0.001 0.000 0.238 167 R C 2.054 177.843 176.300 -0.852 0.000 1.134 167 R CA 2.092 57.870 56.100 -0.537 0.000 0.975 167 R CB -0.386 29.768 30.300 -0.244 0.000 0.865 167 R HN 0.424 nan 8.270 nan 0.000 0.447 168 F N 0.061 119.508 119.950 -0.838 0.000 2.641 168 F HA 0.066 4.593 4.527 0.001 0.000 0.298 168 F C 1.338 176.558 175.800 -0.967 0.000 1.146 168 F CA 0.244 57.398 58.000 -1.410 0.000 1.464 168 F CB -0.563 37.870 39.000 -0.944 0.000 1.101 168 F HN -0.057 nan 8.300 nan 0.000 0.585 169 L N 0.077 120.923 121.223 -0.628 0.000 2.599 169 L HA 0.023 4.364 4.340 0.001 0.000 0.230 169 L C 1.816 178.557 176.870 -0.215 0.000 1.141 169 L CA 0.535 55.132 54.840 -0.404 0.000 0.877 169 L CB -0.573 40.864 42.059 -1.036 0.000 1.009 169 L HN 0.294 nan 8.230 nan 0.000 0.447 170 Q N -1.288 118.342 119.800 -0.283 0.000 2.384 170 Q HA 0.033 4.374 4.340 0.001 0.000 0.207 170 Q C 1.677 177.731 176.000 0.090 0.000 0.904 170 Q CA 0.221 55.990 55.803 -0.056 0.000 0.933 170 Q CB 0.241 28.946 28.738 -0.055 0.000 1.077 170 Q HN 0.337 nan 8.270 nan 0.000 0.522 171 F N 1.251 121.223 119.950 0.036 0.000 2.202 171 F HA -0.081 4.446 4.527 0.001 0.000 0.301 171 F C -0.640 175.194 175.800 0.058 0.000 1.082 171 F CA 0.272 58.304 58.000 0.052 0.000 1.313 171 F CB -1.889 37.152 39.000 0.068 0.000 1.024 171 F HN 0.103 nan 8.300 nan 0.000 0.495 172 P HA -0.115 nan 4.420 nan 0.000 0.214 172 P C 1.822 179.192 177.300 0.116 0.000 1.162 172 P CA 2.703 65.887 63.100 0.141 0.000 0.879 172 P CB -0.399 31.363 31.700 0.103 0.000 0.786 173 T N -2.949 111.672 114.554 0.112 0.000 2.867 173 T HA -0.081 4.269 4.350 0.001 0.000 0.268 173 T C 1.878 176.633 174.700 0.091 0.000 1.057 173 T CA 0.988 63.140 62.100 0.087 0.000 1.136 173 T CB -1.507 67.407 68.868 0.077 0.000 0.874 173 T HN -0.158 nan 8.240 nan 0.000 0.466 174 V N 1.712 121.702 119.914 0.126 0.000 2.261 174 V HA -0.081 4.039 4.120 0.001 0.000 0.246 174 V C 2.758 178.908 176.094 0.093 0.000 1.047 174 V CA 1.627 64.001 62.300 0.122 0.000 1.015 174 V CB -0.692 31.242 31.823 0.186 0.000 0.642 174 V HN 0.456 nan 8.190 nan 0.000 0.446 175 L N -0.624 120.657 121.223 0.097 0.000 2.093 175 L HA -0.163 4.177 4.340 0.001 0.000 0.208 175 L C 2.531 179.432 176.870 0.053 0.000 1.085 175 L CA 1.456 56.334 54.840 0.065 0.000 0.755 175 L CB -0.546 41.550 42.059 0.063 0.000 0.904 175 L HN 0.394 nan 8.230 nan 0.000 0.435 176 E N 0.206 120.440 120.200 0.057 0.000 2.077 176 E HA -0.216 4.134 4.350 0.001 0.000 0.193 176 E C 2.172 178.795 176.600 0.039 0.000 0.989 176 E CA 1.087 57.514 56.400 0.044 0.000 0.800 176 E CB 0.097 29.823 29.700 0.045 0.000 0.746 176 E HN 0.382 nan 8.360 nan 0.000 0.452 177 K N 0.290 120.716 120.400 0.043 0.000 2.097 177 K HA -0.093 4.228 4.320 0.001 0.000 0.205 177 K C 2.136 178.756 176.600 0.034 0.000 1.050 177 K CA 0.934 57.243 56.287 0.037 0.000 0.938 177 K CB -0.065 32.459 32.500 0.039 0.000 0.718 177 K HN 0.045 nan 8.250 nan 0.000 0.442 178 A N 1.583 124.425 122.820 0.037 0.000 1.845 178 A HA -0.165 4.156 4.320 0.001 0.000 0.215 178 A C 2.103 179.703 177.584 0.026 0.000 1.195 178 A CA 1.200 53.256 52.037 0.031 0.000 0.616 178 A CB -0.686 18.332 19.000 0.031 0.000 0.832 178 A HN 0.251 nan 8.150 nan 0.000 0.443 179 L N -0.376 120.863 121.223 0.027 0.000 2.189 179 L HA -0.136 4.205 4.340 0.001 0.000 0.214 179 L C 2.512 179.395 176.870 0.022 0.000 1.097 179 L CA 2.025 56.878 54.840 0.022 0.000 0.764 179 L CB -0.499 41.574 42.059 0.023 0.000 0.900 179 L HN 0.380 nan 8.230 nan 0.000 0.436 180 A N -0.451 122.383 122.820 0.023 0.000 1.855 180 A HA -0.174 4.146 4.320 0.001 0.000 0.213 180 A C 2.320 179.916 177.584 0.021 0.000 1.195 180 A CA 1.443 53.493 52.037 0.022 0.000 0.610 180 A CB -0.587 18.426 19.000 0.022 0.000 0.837 180 A HN 0.395 nan 8.150 nan 0.000 0.444 181 K N -0.505 119.908 120.400 0.022 0.000 2.152 181 K HA -0.083 4.237 4.320 0.001 0.000 0.206 181 K C 1.606 178.220 176.600 0.023 0.000 1.048 181 K CA 1.353 57.653 56.287 0.022 0.000 0.933 181 K CB -0.443 32.071 32.500 0.023 0.000 0.721 181 K HN 0.294 nan 8.250 nan 0.000 0.447 182 L N 0.034 121.270 121.223 0.022 0.000 2.072 182 L HA 0.012 4.353 4.340 0.001 0.000 0.205 182 L C 2.340 179.223 176.870 0.022 0.000 1.079 182 L CA 1.675 56.528 54.840 0.022 0.000 0.752 182 L CB -0.872 41.198 42.059 0.019 0.000 0.906 182 L HN 0.279 nan 8.230 nan 0.000 0.436 183 S N -1.314 114.398 115.700 0.020 0.000 2.383 183 S HA -0.233 4.237 4.470 0.001 0.000 0.227 183 S C 1.983 176.597 174.600 0.023 0.000 1.026 183 S CA 1.342 59.553 58.200 0.020 0.000 0.981 183 S CB -0.245 62.965 63.200 0.017 0.000 0.818 183 S HN 0.577 nan 8.310 nan 0.000 0.472 184 Q N -0.237 119.577 119.800 0.023 0.000 2.170 184 Q HA -0.081 4.260 4.340 0.001 0.000 0.203 184 Q C 1.733 177.750 176.000 0.029 0.000 0.976 184 Q CA 1.071 56.888 55.803 0.024 0.000 0.858 184 Q CB -0.135 28.616 28.738 0.021 0.000 0.907 184 Q HN 0.445 nan 8.270 nan 0.000 0.433 185 L N 0.383 121.624 121.223 0.031 0.000 2.478 185 L HA -0.009 4.332 4.340 0.001 0.000 0.223 185 L C 2.213 179.115 176.870 0.053 0.000 1.140 185 L CA 1.059 55.922 54.840 0.039 0.000 0.842 185 L CB -0.252 41.829 42.059 0.037 0.000 0.953 185 L HN 0.091 nan 8.230 nan 0.000 0.452 186 S N -1.822 113.906 115.700 0.046 0.000 2.496 186 S HA -0.035 4.436 4.470 0.001 0.000 0.224 186 S C 1.917 176.559 174.600 0.070 0.000 0.996 186 S CA 0.853 59.085 58.200 0.053 0.000 0.927 186 S CB 0.013 63.231 63.200 0.030 0.000 0.774 186 S HN 0.458 nan 8.310 nan 0.000 0.524 187 S N 1.159 116.894 115.700 0.057 0.000 2.607 187 S HA 0.145 4.615 4.470 0.001 0.000 0.224 187 S C 0.600 175.242 174.600 0.069 0.000 0.969 187 S CA 0.249 58.483 58.200 0.057 0.000 0.927 187 S CB -0.093 63.130 63.200 0.038 0.000 0.772 187 S HN 0.377 nan 8.310 nan 0.000 0.533 188 Q N 0.580 120.431 119.800 0.086 0.000 2.936 188 Q HA 0.647 4.987 4.340 0.001 0.000 0.383 188 Q C -0.760 175.338 176.000 0.163 0.000 1.167 188 Q CA -0.106 55.744 55.803 0.079 0.000 1.038 188 Q CB -0.321 28.450 28.738 0.054 0.000 1.409 188 Q HN 0.501 nan 8.270 nan 0.000 0.448 196 I N 4.150 124.744 120.570 0.039 0.000 2.530 196 I HA -0.160 4.010 4.170 0.001 0.000 0.257 196 I C 2.135 178.270 176.117 0.030 0.000 1.179 196 I CA 1.063 62.381 61.300 0.029 0.000 1.440 196 I CB -0.272 37.739 38.000 0.019 0.000 1.087 196 I HN 0.635 nan 8.210 nan 0.000 0.440 197 L N 0.676 121.921 121.223 0.036 0.000 2.187 197 L HA -0.128 4.213 4.340 0.001 0.000 0.213 197 L C 1.836 178.730 176.870 0.040 0.000 1.100 197 L CA 1.026 55.887 54.840 0.035 0.000 0.765 197 L CB -1.091 40.991 42.059 0.038 0.000 0.904 197 L HN 0.549 nan 8.230 nan 0.000 0.437 198 G N -0.368 108.462 108.800 0.050 0.000 2.596 198 G HA2 -0.472 3.488 3.960 0.001 0.000 0.295 198 G HA3 -0.472 3.488 3.960 0.001 0.000 0.295 198 G C 1.006 175.932 174.900 0.044 0.000 1.240 198 G CA 0.807 45.932 45.100 0.042 0.000 0.985 198 G HN 0.418 nan 8.290 nan 0.000 0.555 199 A N -0.381 122.458 122.820 0.031 0.000 1.958 199 A HA -0.142 4.179 4.320 0.001 0.000 0.221 199 A C 2.315 179.920 177.584 0.035 0.000 1.178 199 A CA 2.551 54.604 52.037 0.028 0.000 0.642 199 A CB -0.423 18.588 19.000 0.019 0.000 0.816 199 A HN 0.751 nan 8.150 nan 0.000 0.453 200 R N -0.811 119.709 120.500 0.035 0.000 2.319 200 R HA 0.102 4.443 4.340 0.001 0.000 0.204 200 R C 1.358 177.686 176.300 0.047 0.000 0.954 200 R CA 0.420 56.540 56.100 0.034 0.000 1.066 200 R CB -0.088 30.226 30.300 0.024 0.000 0.991 200 R HN 0.430 nan 8.270 nan 0.000 0.486 201 G N 0.143 108.985 108.800 0.070 0.000 3.605 201 G HA2 0.180 4.140 3.960 0.001 0.000 0.277 201 G HA3 0.180 4.140 3.960 0.001 0.000 0.277 201 G C 0.399 175.406 174.900 0.178 0.000 1.093 201 G CA -0.193 44.970 45.100 0.105 0.000 0.821 201 G HN 0.274 nan 8.290 nan 0.000 0.532 202 G N -0.182 108.695 108.800 0.128 0.000 2.510 202 G HA2 0.514 4.474 3.960 0.001 0.000 0.280 202 G HA3 0.514 4.474 3.960 0.001 0.000 0.280 202 G C -0.168 174.812 174.900 0.134 0.000 1.386 202 G CA -0.897 44.287 45.100 0.140 0.000 1.047 202 G HN 0.219 nan 8.290 nan 0.000 0.527 203 L N 1.267 122.558 121.223 0.113 0.000 2.349 203 L HA 0.269 4.609 4.340 0.001 0.000 0.275 203 L C -1.844 175.058 176.870 0.054 0.000 1.115 203 L CA -1.461 53.431 54.840 0.086 0.000 0.820 203 L CB 1.205 43.311 42.059 0.078 0.000 1.135 203 L HN 0.276 nan 8.230 nan 0.000 0.445 204 P HA 0.219 nan 4.420 nan 0.000 0.276 204 P C 0.651 177.967 177.300 0.027 0.000 1.230 204 P CA 0.155 63.273 63.100 0.030 0.000 0.776 204 P CB 1.237 32.951 31.700 0.023 0.000 0.888 205 G N 1.710 110.524 108.800 0.023 0.000 2.259 205 G HA2 -0.054 3.907 3.960 0.001 0.000 0.217 205 G HA3 -0.054 3.907 3.960 0.001 0.000 0.217 205 G C 0.820 175.732 174.900 0.019 0.000 1.001 205 G CA 0.230 45.342 45.100 0.020 0.000 0.627 205 G HN 1.105 nan 8.290 nan 0.000 0.501 206 G N -0.807 108.007 108.800 0.023 0.000 2.176 206 G HA2 -0.171 3.790 3.960 0.001 0.000 0.253 206 G HA3 -0.171 3.790 3.960 0.001 0.000 0.253 206 G C 0.233 175.142 174.900 0.016 0.000 0.979 206 G CA 1.153 46.264 45.100 0.019 0.000 0.641 206 G HN 1.381 nan 8.290 nan 0.000 0.530 207 Q N 0.461 120.272 119.800 0.019 0.000 2.311 207 Q HA 0.432 4.772 4.340 0.001 0.000 0.272 207 Q C 0.263 176.270 176.000 0.011 0.000 1.012 207 Q CA 0.021 55.833 55.803 0.015 0.000 0.891 207 Q CB 0.646 29.395 28.738 0.019 0.000 1.201 207 Q HN 0.298 nan 8.270 nan 0.000 0.391 208 N N 3.161 121.860 118.700 -0.002 0.000 2.527 208 N HA 0.150 4.890 4.740 0.001 0.000 0.236 208 N C 0.185 175.684 175.510 -0.018 0.000 0.999 208 N CA -0.029 53.011 53.050 -0.018 0.000 0.935 208 N CB 0.441 38.912 38.487 -0.027 0.000 1.132 208 N HN 0.689 nan 8.380 nan 0.000 0.511 209 I N 1.364 121.923 120.570 -0.018 0.000 2.127 209 I HA -0.280 3.890 4.170 0.001 0.000 0.241 209 I C 0.971 177.075 176.117 -0.020 0.000 1.075 209 I CA 1.201 62.496 61.300 -0.009 0.000 1.334 209 I CB 0.003 38.007 38.000 0.007 0.000 1.040 209 I HN 0.491 nan 8.210 nan 0.000 0.405 210 D N 0.231 120.605 120.400 -0.043 0.000 2.263 210 D HA -0.210 4.431 4.640 0.001 0.000 0.208 210 D C 1.957 178.239 176.300 -0.030 0.000 0.971 210 D CA 1.037 55.013 54.000 -0.041 0.000 0.867 210 D CB -0.125 40.637 40.800 -0.063 0.000 0.929 210 D HN 0.489 nan 8.370 nan 0.000 0.492 211 E N -0.152 120.030 120.200 -0.029 0.000 2.230 211 E HA 0.011 4.362 4.350 0.001 0.000 0.192 211 E C 2.047 178.640 176.600 -0.013 0.000 0.987 211 E CA 0.084 56.471 56.400 -0.022 0.000 0.841 211 E CB 0.230 29.916 29.700 -0.023 0.000 0.783 211 E HN 0.198 nan 8.360 nan 0.000 0.481 212 L N 0.215 121.433 121.223 -0.010 0.000 2.249 212 L HA -0.021 4.320 4.340 0.001 0.000 0.207 212 L C 2.137 179.006 176.870 -0.001 0.000 1.090 212 L CA -0.030 54.808 54.840 -0.003 0.000 0.802 212 L CB -0.029 42.030 42.059 0.001 0.000 0.947 212 L HN 0.201 nan 8.230 nan 0.000 0.453 213 L N -0.120 121.101 121.223 -0.002 0.000 2.349 213 L HA -0.223 4.118 4.340 0.001 0.000 0.220 213 L C 2.448 179.318 176.870 -0.001 0.000 1.130 213 L CA 1.713 56.553 54.840 0.000 0.000 0.791 213 L CB -0.437 41.621 42.059 -0.002 0.000 0.918 213 L HN 0.305 nan 8.230 nan 0.000 0.444 214 Q N -1.328 118.470 119.800 -0.004 0.000 2.061 214 Q HA -0.153 4.188 4.340 0.001 0.000 0.195 214 Q C 2.180 178.179 176.000 -0.003 0.000 0.967 214 Q CA 1.034 56.834 55.803 -0.004 0.000 0.829 214 Q CB -0.033 28.700 28.738 -0.008 0.000 0.900 214 Q HN 0.383 nan 8.270 nan 0.000 0.450 215 K N 0.332 120.729 120.400 -0.003 0.000 2.063 215 K HA -0.181 4.140 4.320 0.001 0.000 0.208 215 K C 1.957 178.556 176.600 -0.000 0.000 1.048 215 K CA 1.475 57.760 56.287 -0.003 0.000 0.928 215 K CB -0.079 32.418 32.500 -0.004 0.000 0.713 215 K HN 0.055 nan 8.250 nan 0.000 0.442 216 M N 0.873 120.475 119.600 0.002 0.000 2.132 216 M HA -0.114 4.366 4.480 0.001 0.000 0.263 216 M C 1.873 178.179 176.300 0.009 0.000 1.065 216 M CA 1.607 56.911 55.300 0.007 0.000 1.122 216 M CB -0.047 32.558 32.600 0.010 0.000 1.365 216 M HN -0.032 nan 8.290 nan 0.000 0.411 217 E N -0.735 119.469 120.200 0.008 0.000 2.077 217 E HA -0.162 4.188 4.350 0.001 0.000 0.193 217 E C 2.162 178.767 176.600 0.008 0.000 0.989 217 E CA 1.484 57.889 56.400 0.009 0.000 0.800 217 E CB -0.464 29.239 29.700 0.006 0.000 0.746 217 E HN 0.527 nan 8.360 nan 0.000 0.452 218 S N -0.351 115.352 115.700 0.004 0.000 2.383 218 S HA -0.028 4.443 4.470 0.001 0.000 0.227 218 S C 2.068 176.670 174.600 0.004 0.000 1.026 218 S CA 0.616 58.818 58.200 0.003 0.000 0.981 218 S CB -0.054 63.145 63.200 -0.001 0.000 0.818 218 S HN 0.227 nan 8.310 nan 0.000 0.472 219 L N 0.587 121.813 121.223 0.005 0.000 2.179 219 L HA 0.122 4.463 4.340 0.001 0.000 0.208 219 L C 2.930 179.810 176.870 0.017 0.000 1.096 219 L CA 0.738 55.582 54.840 0.006 0.000 0.779 219 L CB -0.447 41.613 42.059 0.001 0.000 0.922 219 L HN 0.278 nan 8.230 nan 0.000 0.443 220 R N 0.521 121.033 120.500 0.019 0.000 2.092 220 R HA -0.196 4.145 4.340 0.001 0.000 0.231 220 R C 2.147 178.460 176.300 0.021 0.000 1.119 220 R CA 1.550 57.666 56.100 0.027 0.000 0.970 220 R CB -0.011 30.305 30.300 0.026 0.000 0.864 220 R HN 0.387 nan 8.270 nan 0.000 0.440 221 E N -0.695 119.514 120.200 0.015 0.000 2.072 221 E HA -0.136 4.214 4.350 0.001 0.000 0.191 221 E C 1.420 178.025 176.600 0.008 0.000 0.985 221 E CA 1.580 57.987 56.400 0.011 0.000 0.801 221 E CB 0.089 29.795 29.700 0.010 0.000 0.750 221 E HN 0.222 nan 8.360 nan 0.000 0.452 222 T N 1.569 116.128 114.554 0.008 0.000 2.746 222 T HA -0.119 4.232 4.350 0.001 0.000 0.267 222 T C 1.823 176.520 174.700 -0.004 0.000 1.039 222 T CA 0.881 62.984 62.100 0.005 0.000 1.142 222 T CB -0.057 68.813 68.868 0.003 0.000 0.866 222 T HN 0.151 nan 8.240 nan 0.000 0.444 223 I N 1.210 121.787 120.570 0.012 0.000 2.226 223 I HA -0.101 4.069 4.170 0.001 0.000 0.245 223 I C 2.617 178.715 176.117 -0.030 0.000 1.100 223 I CA 1.237 62.548 61.300 0.019 0.000 1.374 223 I CB -1.123 36.926 38.000 0.082 0.000 1.057 223 I HN 0.180 nan 8.210 nan 0.000 0.413 224 S N 0.165 115.859 115.700 -0.010 0.000 2.368 224 S HA -0.171 4.299 4.470 0.001 0.000 0.225 224 S C 1.822 176.396 174.600 -0.042 0.000 1.030 224 S CA 1.047 59.236 58.200 -0.018 0.000 0.999 224 S CB -0.086 63.117 63.200 0.006 0.000 0.844 224 S HN 0.433 nan 8.310 nan 0.000 0.459 225 E N 0.435 120.616 120.200 -0.032 0.000 2.033 225 E HA -0.149 4.201 4.350 0.001 0.000 0.199 225 E C 2.101 178.653 176.600 -0.079 0.000 1.011 225 E CA 1.590 57.976 56.400 -0.023 0.000 0.815 225 E CB -0.256 29.450 29.700 0.008 0.000 0.755 225 E HN 0.273 nan 8.360 nan 0.000 0.451 226 V N 2.098 121.912 119.914 -0.167 0.000 2.490 226 V HA -0.260 3.860 4.120 0.001 0.000 0.250 226 V C 2.166 177.770 176.094 -0.817 0.000 1.061 226 V CA 1.605 63.644 62.300 -0.435 0.000 1.064 226 V CB -0.643 30.859 31.823 -0.534 0.000 0.670 226 V HN 0.349 nan 8.190 nan 0.000 0.461 227 N N 0.719 119.107 118.700 -0.519 0.000 2.171 227 N HA -0.151 4.589 4.740 0.001 0.000 0.184 227 N C 1.952 177.390 175.510 -0.120 0.000 1.021 227 N CA 2.038 54.853 53.050 -0.392 0.000 0.854 227 N CB 0.047 38.450 38.487 -0.140 0.000 0.994 227 N HN 0.666 nan 8.380 nan 0.000 0.426 228 T N -1.785 112.734 114.554 -0.058 0.000 3.085 228 T HA 0.036 4.387 4.350 0.001 0.000 0.263 228 T C 1.729 176.475 174.700 0.077 0.000 1.127 228 T CA 0.597 62.717 62.100 0.033 0.000 1.103 228 T CB 0.073 68.960 68.868 0.032 0.000 0.921 228 T HN 0.211 nan 8.240 nan 0.000 0.510 229 Q N -0.412 119.422 119.800 0.056 0.000 2.096 229 Q HA 0.058 4.398 4.340 0.001 0.000 0.197 229 Q C 1.810 178.011 176.000 0.334 0.000 0.964 229 Q CA 0.963 56.878 55.803 0.186 0.000 0.838 229 Q CB -0.203 28.678 28.738 0.238 0.000 0.906 229 Q HN 0.448 nan 8.270 nan 0.000 0.444 230 F N 1.584 121.555 119.950 0.034 0.000 2.120 230 F HA -0.197 4.330 4.527 0.001 0.000 0.300 230 F C 1.863 177.744 175.800 0.136 0.000 1.095 230 F CA 1.305 59.357 58.000 0.088 0.000 1.249 230 F CB -0.419 38.614 39.000 0.056 0.000 0.995 230 F HN 0.007 nan 8.300 nan 0.000 0.480 231 K N -0.287 120.293 120.400 0.301 0.000 2.487 231 K HA -0.061 4.259 4.320 0.001 0.000 0.192 231 K C 0.402 177.099 176.600 0.162 0.000 1.027 231 K CA 0.015 56.423 56.287 0.201 0.000 1.054 231 K CB -0.269 32.322 32.500 0.152 0.000 0.824 231 K HN -0.000 nan 8.250 nan 0.000 0.510 232 N N 1.327 120.136 118.700 0.182 0.000 2.485 232 N HA 0.110 4.851 4.740 0.001 0.000 0.243 232 N C -2.298 173.304 175.510 0.152 0.000 0.987 232 N CA -2.427 50.711 53.050 0.147 0.000 0.940 232 N CB 1.532 40.104 38.487 0.141 0.000 1.122 232 N HN -0.221 nan 8.380 nan 0.000 0.509 233 P HA -0.075 nan 4.420 nan 0.000 0.219 233 P C 0.262 177.621 177.300 0.099 0.000 1.146 233 P CA 1.028 64.193 63.100 0.108 0.000 0.808 233 P CB 0.421 32.161 31.700 0.066 0.000 0.779 234 D N -1.724 118.728 120.400 0.087 0.000 2.219 234 D HA -0.041 4.600 4.640 0.001 0.000 0.205 234 D C 1.736 178.093 176.300 0.095 0.000 0.970 234 D CA 1.221 55.264 54.000 0.073 0.000 0.851 234 D CB -0.280 40.556 40.800 0.059 0.000 0.943 234 D HN 0.280 nan 8.370 nan 0.000 0.488 235 M N -1.077 118.606 119.600 0.138 0.000 2.571 235 M HA 0.089 4.570 4.480 0.001 0.000 0.259 235 M C 0.009 176.448 176.300 0.231 0.000 1.205 235 M CA 0.628 56.033 55.300 0.175 0.000 1.138 235 M CB 1.033 33.769 32.600 0.226 0.000 1.329 235 M HN -0.308 nan 8.290 nan 0.000 0.503 236 T N 0.331 115.031 114.554 0.242 0.000 2.928 236 T HA 0.433 4.783 4.350 0.001 0.000 0.296 236 T C -0.735 174.102 174.700 0.228 0.000 1.000 236 T CA -0.401 61.854 62.100 0.258 0.000 0.989 236 T CB 2.560 71.627 68.868 0.332 0.000 1.005 236 T HN 0.019 nan 8.240 nan 0.000 0.442 237 T N 2.148 116.828 114.554 0.210 0.000 2.896 237 T HA 0.763 5.114 4.350 0.001 0.000 0.297 237 T C -1.865 173.000 174.700 0.275 0.000 1.108 237 T CA -0.646 61.596 62.100 0.235 0.000 1.004 237 T CB 1.125 70.120 68.868 0.212 0.000 1.159 237 T HN 0.447 nan 8.240 nan 0.000 0.499 238 F N 3.065 123.081 119.950 0.110 0.000 2.493 238 F HA 0.713 5.240 4.527 0.001 0.000 0.329 238 F C -0.942 174.866 175.800 0.013 0.000 1.126 238 F CA -0.648 57.419 58.000 0.113 0.000 0.937 238 F CB 1.522 40.547 39.000 0.041 0.000 1.146 238 F HN 0.316 nan 8.300 nan 0.000 0.442 239 V N 5.733 125.665 119.914 0.029 0.000 2.357 239 V HA 0.232 4.353 4.120 0.001 0.000 0.284 239 V C -0.365 175.806 176.094 0.129 0.000 1.018 239 V CA -0.763 61.568 62.300 0.052 0.000 0.841 239 V CB 0.894 32.690 31.823 -0.045 0.000 0.991 239 V HN 0.878 nan 8.190 nan 0.000 0.437 240 C N 5.196 124.616 119.300 0.199 0.000 2.534 240 C HA 0.706 5.166 4.460 0.001 0.000 0.385 240 C C 0.391 175.412 174.990 0.051 0.000 1.264 240 C CA -0.607 58.503 59.018 0.153 0.000 2.342 240 C CB 0.760 28.528 27.740 0.047 0.000 2.564 240 C HN 0.639 nan 8.230 nan 0.000 0.603 241 V N 1.692 121.629 119.914 0.038 0.000 2.735 241 V HA 0.781 4.902 4.120 0.001 0.000 0.310 241 V C -0.015 176.072 176.094 -0.012 0.000 1.061 241 V CA -0.358 61.951 62.300 0.015 0.000 0.913 241 V CB 1.417 33.257 31.823 0.029 0.000 1.005 241 V HN 1.225 nan 8.190 nan 0.000 0.428 242 C N 3.157 122.443 119.300 -0.023 0.000 3.311 242 C HA 0.769 5.230 4.460 0.001 0.000 0.325 242 C C -0.740 174.224 174.990 -0.043 0.000 1.352 242 C CA -0.921 58.070 59.018 -0.046 0.000 1.308 242 C CB 0.582 28.274 27.740 -0.079 0.000 1.619 242 C HN 0.795 nan 8.230 nan 0.000 0.469 243 I N 1.487 122.020 120.570 -0.062 0.000 2.934 243 I HA 0.543 4.713 4.170 0.001 0.000 0.315 243 I C 1.034 177.087 176.117 -0.108 0.000 0.997 243 I CA -0.389 60.869 61.300 -0.070 0.000 1.184 243 I CB 1.263 39.220 38.000 -0.072 0.000 1.400 243 I HN 0.948 nan 8.210 nan 0.000 0.549 244 A N 3.456 126.213 122.820 -0.105 0.000 3.168 244 A HA 0.292 4.613 4.320 0.001 0.000 0.260 244 A C -0.048 177.326 177.584 -0.351 0.000 1.598 244 A CA -0.205 51.745 52.037 -0.144 0.000 1.285 244 A CB -0.726 18.269 19.000 -0.008 0.000 1.149 244 A HN 0.630 nan 8.150 nan 0.000 0.630 245 E N -0.890 119.025 120.200 -0.475 0.000 2.355 245 E HA 0.335 4.685 4.350 0.001 0.000 0.261 245 E C 0.091 176.274 176.600 -0.696 0.000 0.943 245 E CA -0.724 55.307 56.400 -0.614 0.000 0.806 245 E CB 0.791 30.364 29.700 -0.211 0.000 1.286 245 E HN 0.296 nan 8.360 nan 0.000 0.424 246 F N 0.940 120.555 119.950 -0.559 0.000 2.074 246 F HA -0.053 4.475 4.527 0.001 0.000 0.293 246 F C 2.048 177.807 175.800 -0.068 0.000 1.116 246 F CA 1.327 59.205 58.000 -0.204 0.000 1.212 246 F CB -0.108 38.914 39.000 0.037 0.000 0.998 246 F HN 0.333 nan 8.300 nan 0.000 0.471 247 L N -0.622 120.680 121.223 0.131 0.000 2.189 247 L HA -0.262 4.078 4.340 0.001 0.000 0.214 247 L C 2.592 179.460 176.870 -0.004 0.000 1.097 247 L CA 1.489 56.387 54.840 0.096 0.000 0.764 247 L CB -0.699 41.427 42.059 0.111 0.000 0.900 247 L HN 0.266 nan 8.230 nan 0.000 0.436 248 S N -0.667 114.979 115.700 -0.090 0.000 2.404 248 S HA -0.023 4.448 4.470 0.001 0.000 0.223 248 S C 1.815 176.326 174.600 -0.148 0.000 1.040 248 S CA 0.253 58.391 58.200 -0.104 0.000 0.957 248 S CB 0.052 63.188 63.200 -0.105 0.000 0.826 248 S HN 0.164 nan 8.310 nan 0.000 0.491 249 L N 1.079 122.178 121.223 -0.207 0.000 2.079 249 L HA -0.031 4.310 4.340 0.001 0.000 0.210 249 L C 2.093 178.842 176.870 -0.201 0.000 1.081 249 L CA 1.691 56.419 54.840 -0.185 0.000 0.752 249 L CB -1.023 40.921 42.059 -0.191 0.000 0.896 249 L HN 0.506 nan 8.230 nan 0.000 0.433 250 Y N 0.500 120.533 120.300 -0.445 0.000 2.109 250 Y HA -0.251 4.299 4.550 0.001 0.000 0.285 250 Y C 2.617 178.389 175.900 -0.214 0.000 1.131 250 Y CA 1.893 59.751 58.100 -0.404 0.000 1.121 250 Y CB -0.286 37.857 38.460 -0.528 0.000 0.987 250 Y HN 0.174 nan 8.280 nan 0.000 0.495 251 E N -0.456 119.577 120.200 -0.279 0.000 2.219 251 E HA -0.164 4.186 4.350 0.001 0.000 0.198 251 E C 2.117 178.542 176.600 -0.291 0.000 0.998 251 E CA 1.881 58.094 56.400 -0.311 0.000 0.818 251 E CB -0.345 29.288 29.700 -0.111 0.000 0.741 251 E HN 0.529 nan 8.360 nan 0.000 0.477 252 T N 0.033 114.446 114.554 -0.236 0.000 2.732 252 T HA -0.170 4.181 4.350 0.001 0.000 0.261 252 T C 1.621 176.190 174.700 -0.219 0.000 1.040 252 T CA 1.460 63.434 62.100 -0.209 0.000 1.145 252 T CB -0.278 68.476 68.868 -0.191 0.000 0.866 252 T HN 0.513 nan 8.240 nan 0.000 0.427 253 E N 1.342 121.435 120.200 -0.178 0.000 2.153 253 E HA -0.188 4.162 4.350 0.001 0.000 0.194 253 E C 2.236 178.713 176.600 -0.206 0.000 0.988 253 E CA 1.047 57.381 56.400 -0.110 0.000 0.811 253 E CB -0.209 29.450 29.700 -0.067 0.000 0.746 253 E HN 0.358 nan 8.360 nan 0.000 0.466 254 R N 0.257 120.547 120.500 -0.350 0.000 2.081 254 R HA -0.080 4.260 4.340 0.001 0.000 0.235 254 R C 2.424 178.568 176.300 -0.260 0.000 1.131 254 R CA 1.757 57.643 56.100 -0.358 0.000 0.960 254 R CB -0.224 29.753 30.300 -0.537 0.000 0.856 254 R HN 0.354 nan 8.270 nan 0.000 0.436 255 M N 0.139 119.580 119.600 -0.264 0.000 2.319 255 M HA -0.044 4.436 4.480 0.001 0.000 0.265 255 M C 1.669 177.790 176.300 -0.298 0.000 1.068 255 M CA 1.368 56.505 55.300 -0.272 0.000 1.118 255 M CB 0.167 32.608 32.600 -0.265 0.000 1.395 255 M HN 0.221 nan 8.290 nan 0.000 0.435 256 I N -0.184 120.244 120.570 -0.238 0.000 2.439 256 I HA -0.267 3.903 4.170 0.001 0.000 0.251 256 I C 2.250 178.296 176.117 -0.119 0.000 1.139 256 I CA 1.010 62.204 61.300 -0.177 0.000 1.438 256 I CB -0.427 37.519 38.000 -0.089 0.000 1.085 256 I HN 0.411 nan 8.210 nan 0.000 0.427 257 Q N 0.567 120.297 119.800 -0.117 0.000 2.050 257 Q HA -0.249 4.091 4.340 0.001 0.000 0.202 257 Q C 2.189 178.128 176.000 -0.102 0.000 0.980 257 Q CA 1.582 57.331 55.803 -0.091 0.000 0.840 257 Q CB -0.092 28.587 28.738 -0.099 0.000 0.898 257 Q HN 0.441 nan 8.270 nan 0.000 0.424 258 E N 0.386 120.509 120.200 -0.128 0.000 2.110 258 E HA -0.172 4.178 4.350 0.001 0.000 0.193 258 E C 2.008 178.585 176.600 -0.038 0.000 0.988 258 E CA 0.572 56.917 56.400 -0.091 0.000 0.804 258 E CB 0.057 29.698 29.700 -0.100 0.000 0.745 258 E HN 0.315 nan 8.360 nan 0.000 0.458 259 L N 0.072 121.204 121.223 -0.152 0.000 2.027 259 L HA -0.161 4.180 4.340 0.001 0.000 0.206 259 L C 2.596 179.431 176.870 -0.058 0.000 1.074 259 L CA 1.367 56.098 54.840 -0.181 0.000 0.745 259 L CB -0.409 41.409 42.059 -0.401 0.000 0.898 259 L HN 0.141 nan 8.230 nan 0.000 0.433 260 T N -0.792 113.731 114.554 -0.052 0.000 2.803 260 T HA -0.186 4.165 4.350 0.001 0.000 0.269 260 T C 2.094 176.784 174.700 -0.016 0.000 1.052 260 T CA 1.579 63.672 62.100 -0.011 0.000 1.136 260 T CB -0.198 68.671 68.868 0.001 0.000 0.864 260 T HN 0.562 nan 8.240 nan 0.000 0.467 261 S N 0.674 116.344 115.700 -0.050 0.000 2.355 261 S HA -0.117 4.353 4.470 0.001 0.000 0.222 261 S C 1.823 176.353 174.600 -0.118 0.000 1.031 261 S CA 0.818 58.952 58.200 -0.110 0.000 0.993 261 S CB -0.977 62.108 63.200 -0.191 0.000 0.859 261 S HN 0.509 nan 8.310 nan 0.000 0.453 262 Y N 2.575 122.826 120.300 -0.081 0.000 2.569 262 Y HA 0.210 4.760 4.550 0.001 0.000 0.293 262 Y C 2.076 177.963 175.900 -0.020 0.000 1.144 262 Y CA 0.485 58.548 58.100 -0.061 0.000 1.321 262 Y CB -0.594 37.807 38.460 -0.097 0.000 0.982 262 Y HN 0.576 nan 8.280 nan 0.000 0.558 263 G N 0.297 109.160 108.800 0.105 0.000 2.132 263 G HA2 -0.271 3.689 3.960 0.001 0.000 0.234 263 G HA3 -0.271 3.689 3.960 0.001 0.000 0.234 263 G C -0.000 174.962 174.900 0.103 0.000 0.989 263 G CA -0.048 45.103 45.100 0.086 0.000 0.676 263 G HN 0.274 nan 8.290 nan 0.000 0.522 264 I N 1.347 121.973 120.570 0.092 0.000 2.315 264 I HA 0.248 4.418 4.170 0.001 0.000 0.291 264 I C 0.535 176.704 176.117 0.087 0.000 1.006 264 I CA -0.708 60.651 61.300 0.098 0.000 1.265 264 I CB 1.094 39.116 38.000 0.036 0.000 1.387 264 I HN 0.186 nan 8.210 nan 0.000 0.475 265 D N 4.716 125.194 120.400 0.130 0.000 2.472 265 D HA 0.072 4.712 4.640 0.001 0.000 0.237 265 D C -0.346 176.045 176.300 0.152 0.000 1.141 265 D CA 0.779 54.855 54.000 0.127 0.000 0.875 265 D CB 0.793 41.679 40.800 0.144 0.000 1.192 265 D HN 0.515 nan 8.370 nan 0.000 0.450 266 T N 1.993 116.608 114.554 0.101 0.000 3.105 266 T HA 0.445 4.795 4.350 0.001 0.000 0.321 266 T C -0.817 173.785 174.700 -0.165 0.000 1.135 266 T CA -0.615 61.534 62.100 0.083 0.000 1.053 266 T CB 0.428 69.373 68.868 0.128 0.000 1.133 266 T HN 0.689 nan 8.240 nan 0.000 0.463 267 H N 1.881 120.731 119.070 -0.367 0.000 3.234 267 H HA 0.737 5.294 4.556 0.001 0.000 0.253 267 H C -0.611 174.466 175.328 -0.419 0.000 1.171 267 H CA -0.178 55.330 56.048 -0.901 0.000 0.990 267 H CB -0.099 29.370 29.762 -0.488 0.000 2.344 267 H HN 0.658 nan 8.280 nan 0.000 0.713 268 A N 1.348 124.044 122.820 -0.206 0.000 2.456 268 A HA 0.600 4.921 4.320 0.001 0.000 0.288 268 A C -1.411 176.257 177.584 0.140 0.000 1.042 268 A CA -0.592 51.438 52.037 -0.011 0.000 0.738 268 A CB 0.878 19.724 19.000 -0.256 0.000 1.266 268 A HN 0.334 nan 8.150 nan 0.000 0.407 269 I N 2.757 123.410 120.570 0.138 0.000 2.389 269 I HA 0.364 4.534 4.170 0.001 0.000 0.288 269 I C -0.629 175.497 176.117 0.015 0.000 0.999 269 I CA -1.032 60.273 61.300 0.009 0.000 1.129 269 I CB 2.047 39.950 38.000 -0.162 0.000 1.288 269 I HN 0.316 nan 8.210 nan 0.000 0.444 270 V N 7.349 127.270 119.914 0.012 0.000 2.364 270 V HA 0.195 4.315 4.120 0.001 0.000 0.272 270 V C 0.171 176.276 176.094 0.019 0.000 1.036 270 V CA -0.549 61.766 62.300 0.026 0.000 0.880 270 V CB 1.537 33.385 31.823 0.042 0.000 0.991 270 V HN 0.403 nan 8.190 nan 0.000 0.460 271 V N 5.489 125.417 119.914 0.023 0.000 2.320 271 V HA 0.297 4.418 4.120 0.001 0.000 0.265 271 V C 0.377 176.484 176.094 0.022 0.000 1.048 271 V CA -0.443 61.864 62.300 0.012 0.000 0.865 271 V CB 0.838 32.669 31.823 0.013 0.000 1.043 271 V HN 0.871 nan 8.190 nan 0.000 0.474 272 N N 2.712 121.427 118.700 0.026 0.000 2.458 272 N HA 0.263 5.003 4.740 0.001 0.000 0.271 272 N C 0.446 175.964 175.510 0.013 0.000 1.210 272 N CA -0.209 52.873 53.050 0.054 0.000 0.978 272 N CB 0.630 39.166 38.487 0.080 0.000 1.206 272 N HN 0.637 nan 8.380 nan 0.000 0.536 273 Q N -1.045 118.771 119.800 0.028 0.000 2.481 273 Q HA -0.223 4.118 4.340 0.001 0.000 0.272 273 Q C -0.731 175.232 176.000 -0.062 0.000 1.157 273 Q CA 0.368 56.165 55.803 -0.010 0.000 0.935 273 Q CB -1.849 26.879 28.738 -0.017 0.000 1.338 273 Q HN 0.472 nan 8.270 nan 0.000 0.494 274 L N 0.747 121.900 121.223 -0.117 0.000 2.417 274 L HA 0.295 4.635 4.340 0.001 0.000 0.268 274 L C 0.642 177.315 176.870 -0.327 0.000 1.158 274 L CA -0.264 54.421 54.840 -0.257 0.000 0.819 274 L CB 0.460 42.273 42.059 -0.410 0.000 1.112 274 L HN 0.131 nan 8.230 nan 0.000 0.458 275 L N 2.488 123.530 121.223 -0.302 0.000 2.312 275 L HA 0.438 4.778 4.340 0.001 0.000 0.281 275 L C -0.647 176.034 176.870 -0.314 0.000 1.070 275 L CA -0.232 54.490 54.840 -0.197 0.000 0.805 275 L CB 0.953 42.969 42.059 -0.072 0.000 1.174 275 L HN 0.347 nan 8.230 nan 0.000 0.434 276 F N 1.373 121.373 119.950 0.083 0.000 2.575 276 F HA 0.603 5.130 4.527 0.001 0.000 0.330 276 F C -1.444 174.410 175.800 0.091 0.000 1.056 276 F CA -1.893 56.175 58.000 0.114 0.000 0.964 276 F CB 0.462 39.586 39.000 0.208 0.000 1.258 276 F HN 0.321 nan 8.300 nan 0.000 0.484 283 C N 0.419 119.733 119.300 0.023 0.000 2.291 283 C HA 0.755 5.215 4.460 0.001 0.000 0.322 283 C C 1.085 176.087 174.990 0.021 0.000 1.205 283 C CA -0.561 58.470 59.018 0.022 0.000 1.495 283 C CB 0.955 28.710 27.740 0.024 0.000 2.127 283 C HN 0.445 nan 8.230 nan 0.000 0.452 284 E N 1.863 122.074 120.200 0.017 0.000 2.028 284 E HA -0.248 4.102 4.350 0.001 0.000 0.190 284 E C 2.085 178.694 176.600 0.016 0.000 0.984 284 E CA 1.485 57.895 56.400 0.016 0.000 0.800 284 E CB -0.051 29.657 29.700 0.013 0.000 0.758 284 E HN 0.926 nan 8.360 nan 0.000 0.448 285 Q N 0.001 119.809 119.800 0.014 0.000 2.226 285 Q HA -0.179 4.162 4.340 0.001 0.000 0.204 285 Q C 2.162 178.171 176.000 0.016 0.000 0.975 285 Q CA 1.574 57.385 55.803 0.013 0.000 0.866 285 Q CB -0.259 28.486 28.738 0.012 0.000 0.915 285 Q HN 0.370 nan 8.270 nan 0.000 0.440 286 C N 0.659 119.970 119.300 0.019 0.000 2.450 286 C HA -0.010 4.451 4.460 0.001 0.000 0.279 286 C C 2.316 177.320 174.990 0.023 0.000 1.335 286 C CA 0.655 59.686 59.018 0.021 0.000 1.749 286 C CB -1.193 26.563 27.740 0.026 0.000 1.963 286 C HN 0.607 nan 8.230 nan 0.000 0.501 287 N N 1.143 119.857 118.700 0.024 0.000 2.120 287 N HA -0.087 4.654 4.740 0.001 0.000 0.188 287 N C 1.911 177.432 175.510 0.019 0.000 1.024 287 N CA 1.693 54.758 53.050 0.024 0.000 0.852 287 N CB -0.501 38.000 38.487 0.024 0.000 1.003 287 N HN 0.605 nan 8.380 nan 0.000 0.424 288 A N 1.324 124.153 122.820 0.015 0.000 1.865 288 A HA -0.176 4.144 4.320 0.001 0.000 0.217 288 A C 2.241 179.833 177.584 0.013 0.000 1.191 288 A CA 1.865 53.908 52.037 0.010 0.000 0.623 288 A CB -0.632 18.372 19.000 0.008 0.000 0.826 288 A HN 0.261 nan 8.150 nan 0.000 0.444 289 R N -0.056 120.455 120.500 0.018 0.000 2.170 289 R HA -0.124 4.217 4.340 0.001 0.000 0.242 289 R C 2.155 178.470 176.300 0.024 0.000 1.145 289 R CA 1.985 58.099 56.100 0.025 0.000 0.984 289 R CB -0.473 29.841 30.300 0.023 0.000 0.869 289 R HN 0.576 nan 8.270 nan 0.000 0.455 290 R N -0.024 120.486 120.500 0.017 0.000 2.127 290 R HA 0.028 4.369 4.340 0.001 0.000 0.217 290 R C 1.632 177.940 176.300 0.013 0.000 1.074 290 R CA 1.089 57.195 56.100 0.011 0.000 0.991 290 R CB 0.045 30.355 30.300 0.016 0.000 0.895 290 R HN 0.145 nan 8.270 nan 0.000 0.450 291 K N 0.030 120.436 120.400 0.010 0.000 2.209 291 K HA -0.112 4.209 4.320 0.001 0.000 0.204 291 K C 2.025 178.615 176.600 -0.016 0.000 1.048 291 K CA 1.440 57.727 56.287 -0.000 0.000 0.940 291 K CB 0.008 32.505 32.500 -0.004 0.000 0.729 291 K HN 0.280 nan 8.250 nan 0.000 0.451 292 M N 0.313 119.908 119.600 -0.008 0.000 2.156 292 M HA -0.166 4.314 4.480 0.001 0.000 0.264 292 M C 2.170 178.484 176.300 0.024 0.000 1.067 292 M CA 1.515 56.796 55.300 -0.032 0.000 1.131 292 M CB -0.251 32.364 32.600 0.024 0.000 1.368 292 M HN 0.152 nan 8.290 nan 0.000 0.416 293 Q N 0.395 120.249 119.800 0.090 0.000 2.096 293 Q HA -0.226 4.114 4.340 0.001 0.000 0.204 293 Q C 2.073 178.124 176.000 0.085 0.000 0.982 293 Q CA 1.574 57.453 55.803 0.126 0.000 0.850 293 Q CB -0.176 28.584 28.738 0.037 0.000 0.901 293 Q HN 0.409 nan 8.270 nan 0.000 0.422 294 K N 0.958 121.378 120.400 0.033 0.000 2.044 294 K HA -0.237 4.084 4.320 0.001 0.000 0.210 294 K C 1.916 178.527 176.600 0.018 0.000 1.049 294 K CA 1.613 57.916 56.287 0.027 0.000 0.927 294 K CB 0.092 32.602 32.500 0.017 0.000 0.713 294 K HN -0.020 nan 8.250 nan 0.000 0.443 295 K N -0.540 119.840 120.400 -0.033 0.000 1.985 295 K HA -0.167 4.153 4.320 0.001 0.000 0.210 295 K C 2.107 178.682 176.600 -0.041 0.000 1.047 295 K CA 1.979 58.213 56.287 -0.088 0.000 0.932 295 K CB -0.325 32.051 32.500 -0.207 0.000 0.716 295 K HN 0.136 nan 8.250 nan 0.000 0.439 296 Y N 0.367 120.686 120.300 0.031 0.000 2.256 296 Y HA -0.195 4.356 4.550 0.001 0.000 0.288 296 Y C 1.981 177.898 175.900 0.028 0.000 1.155 296 Y CA 0.844 58.967 58.100 0.037 0.000 1.203 296 Y CB -0.310 38.174 38.460 0.040 0.000 0.980 296 Y HN 0.037 nan 8.280 nan 0.000 0.530 297 L N 0.027 121.354 121.223 0.173 0.000 2.156 297 L HA -0.105 4.236 4.340 0.001 0.000 0.208 297 L C 1.988 178.912 176.870 0.089 0.000 1.095 297 L CA 1.540 56.449 54.840 0.114 0.000 0.770 297 L CB -0.666 41.442 42.059 0.082 0.000 0.914 297 L HN 0.196 nan 8.230 nan 0.000 0.439 298 E N -1.221 119.019 120.200 0.068 0.000 2.072 298 E HA -0.242 4.109 4.350 0.001 0.000 0.191 298 E C 2.080 178.703 176.600 0.039 0.000 0.985 298 E CA 1.080 57.508 56.400 0.046 0.000 0.801 298 E CB -0.079 29.636 29.700 0.026 0.000 0.750 298 E HN 0.578 nan 8.360 nan 0.000 0.452 299 Q N 0.475 120.304 119.800 0.049 0.000 2.045 299 Q HA -0.209 4.131 4.340 0.001 0.000 0.206 299 Q C 2.347 178.349 176.000 0.004 0.000 0.991 299 Q CA 1.521 57.343 55.803 0.031 0.000 0.851 299 Q CB -0.270 28.518 28.738 0.083 0.000 0.911 299 Q HN 0.358 nan 8.270 nan 0.000 0.418 300 I N 0.860 121.472 120.570 0.069 0.000 2.208 300 I HA -0.253 3.917 4.170 0.001 0.000 0.245 300 I C 2.134 178.317 176.117 0.111 0.000 1.097 300 I CA 0.972 62.347 61.300 0.126 0.000 1.363 300 I CB -0.392 37.709 38.000 0.169 0.000 1.051 300 I HN 0.160 nan 8.210 nan 0.000 0.413 301 E N 0.577 120.829 120.200 0.086 0.000 2.265 301 E HA -0.240 4.111 4.350 0.001 0.000 0.196 301 E C 1.901 178.527 176.600 0.043 0.000 0.996 301 E CA 1.026 57.475 56.400 0.083 0.000 0.832 301 E CB -0.100 29.644 29.700 0.074 0.000 0.756 301 E HN 0.606 nan 8.360 nan 0.000 0.491 302 E N 0.316 120.512 120.200 -0.008 0.000 2.057 302 E HA -0.024 4.327 4.350 0.001 0.000 0.190 302 E C 2.291 178.819 176.600 -0.120 0.000 0.969 302 E CA 0.067 56.442 56.400 -0.042 0.000 0.812 302 E CB 0.135 29.809 29.700 -0.043 0.000 0.777 302 E HN 0.112 nan 8.360 nan 0.000 0.455 303 L N 0.140 121.198 121.223 -0.275 0.000 2.046 303 L HA -0.159 4.182 4.340 0.001 0.000 0.208 303 L C 0.851 177.367 176.870 -0.589 0.000 1.077 303 L CA 1.091 55.601 54.840 -0.550 0.000 0.747 303 L CB -0.297 41.175 42.059 -0.978 0.000 0.896 303 L HN 0.249 nan 8.230 nan 0.000 0.432 304 Y N -0.672 119.574 120.300 -0.090 0.000 2.783 304 Y HA 0.169 4.719 4.550 0.001 0.000 0.382 304 Y C 1.481 177.460 175.900 0.132 0.000 1.076 304 Y CA -0.599 57.447 58.100 -0.091 0.000 1.530 304 Y CB -0.353 37.819 38.460 -0.480 0.000 1.546 304 Y HN 0.099 nan 8.280 nan 0.000 0.537 305 E N 0.558 120.874 120.200 0.193 0.000 2.153 305 E HA -0.180 4.171 4.350 0.001 0.000 0.194 305 E C 0.660 177.398 176.600 0.229 0.000 0.988 305 E CA 1.381 57.883 56.400 0.171 0.000 0.811 305 E CB 0.272 30.031 29.700 0.098 0.000 0.746 305 E HN 0.490 nan 8.360 nan 0.000 0.466 306 D N -0.659 119.932 120.400 0.317 0.000 2.349 306 D HA 0.015 4.656 4.640 0.001 0.000 0.224 306 D C -0.415 176.039 176.300 0.257 0.000 1.029 306 D CA 0.468 54.620 54.000 0.254 0.000 0.879 306 D CB -0.026 40.901 40.800 0.212 0.000 0.906 306 D HN 0.109 nan 8.370 nan 0.000 0.528 307 F N 0.879 120.922 119.950 0.157 0.000 2.432 307 F HA 0.266 4.793 4.527 0.001 0.000 0.329 307 F C 0.995 176.870 175.800 0.125 0.000 1.076 307 F CA -1.263 56.827 58.000 0.150 0.000 1.018 307 F CB 0.949 40.022 39.000 0.121 0.000 1.201 307 F HN -0.358 nan 8.300 nan 0.000 0.489 308 N N 1.951 120.805 118.700 0.258 0.000 2.420 308 N HA 0.139 4.880 4.740 0.001 0.000 0.262 308 N C -0.923 174.693 175.510 0.178 0.000 1.144 308 N CA 0.017 53.175 53.050 0.180 0.000 0.952 308 N CB 1.359 39.923 38.487 0.128 0.000 1.081 308 N HN 0.185 nan 8.380 nan 0.000 0.480 309 V N 3.423 123.430 119.914 0.154 0.000 2.277 309 V HA 0.161 4.281 4.120 0.001 0.000 0.269 309 V C 0.471 176.622 176.094 0.094 0.000 1.036 309 V CA -0.766 61.607 62.300 0.123 0.000 0.821 309 V CB 1.035 32.936 31.823 0.131 0.000 1.052 309 V HN 0.271 nan 8.190 nan 0.000 0.462 310 V N 6.171 126.129 119.914 0.073 0.000 2.530 310 V HA 0.384 4.504 4.120 0.001 0.000 0.282 310 V C 0.501 176.638 176.094 0.072 0.000 1.048 310 V CA -0.431 61.907 62.300 0.062 0.000 0.997 310 V CB 1.236 33.079 31.823 0.034 0.000 0.987 310 V HN 0.784 nan 8.190 nan 0.000 0.477 311 R N 5.524 126.087 120.500 0.105 0.000 2.343 311 R HA 0.616 4.957 4.340 0.001 0.000 0.320 311 R C -0.875 175.516 176.300 0.151 0.000 0.956 311 R CA -0.585 55.602 56.100 0.145 0.000 0.836 311 R CB 1.356 31.805 30.300 0.249 0.000 1.151 311 R HN 0.519 nan 8.270 nan 0.000 0.450 312 M N 3.872 123.522 119.600 0.083 0.000 2.364 312 M HA 0.436 4.917 4.480 0.001 0.000 0.334 312 M C -2.457 173.871 176.300 0.046 0.000 1.107 312 M CA -3.130 52.185 55.300 0.025 0.000 0.988 312 M CB 1.533 34.141 32.600 0.013 0.000 1.673 312 M HN 0.212 nan 8.290 nan 0.000 0.441 313 P HA 0.297 nan 4.420 nan 0.000 0.282 313 P C -0.553 176.737 177.300 -0.016 0.000 1.249 313 P CA -0.736 62.325 63.100 -0.065 0.000 0.806 313 P CB 0.608 32.011 31.700 -0.496 0.000 0.984 314 L N 3.641 124.852 121.223 -0.021 0.000 2.477 314 L HA 0.121 4.461 4.340 0.001 0.000 0.272 314 L C -0.639 176.241 176.870 0.016 0.000 1.157 314 L CA 0.513 55.356 54.840 0.005 0.000 0.889 314 L CB -0.770 41.283 42.059 -0.009 0.000 1.158 314 L HN 0.192 nan 8.230 nan 0.000 0.473 315 L N 5.372 126.614 121.223 0.032 0.000 2.399 315 L HA 0.282 4.623 4.340 0.001 0.000 0.265 315 L C 1.140 178.023 176.870 0.022 0.000 1.089 315 L CA -0.878 53.984 54.840 0.037 0.000 0.802 315 L CB 1.385 43.482 42.059 0.063 0.000 1.180 315 L HN 0.463 nan 8.230 nan 0.000 0.454 316 V N -0.167 119.765 119.914 0.030 0.000 2.871 316 V HA -0.008 4.112 4.120 0.001 0.000 0.256 316 V C 0.659 176.760 176.094 0.012 0.000 1.082 316 V CA 1.087 63.401 62.300 0.023 0.000 1.105 316 V CB -0.561 31.281 31.823 0.032 0.000 0.713 316 V HN 0.719 nan 8.190 nan 0.000 0.473 317 E N -0.441 119.764 120.200 0.008 0.000 2.277 317 E HA 0.377 4.727 4.350 0.001 0.000 0.266 317 E C -0.595 175.990 176.600 -0.025 0.000 0.901 317 E CA -0.678 55.720 56.400 -0.004 0.000 0.782 317 E CB 1.785 31.487 29.700 0.004 0.000 1.228 317 E HN 0.374 nan 8.360 nan 0.000 0.424 318 E N 0.652 120.830 120.200 -0.037 0.000 2.481 318 E HA -0.021 4.329 4.350 0.001 0.000 0.263 318 E C -0.425 176.123 176.600 -0.087 0.000 0.992 318 E CA 0.114 56.474 56.400 -0.066 0.000 0.938 318 E CB 0.644 30.311 29.700 -0.056 0.000 0.933 318 E HN 0.126 nan 8.360 nan 0.000 0.453 319 V N 4.783 124.604 119.914 -0.155 0.000 2.071 319 V HA 0.064 4.184 4.120 0.001 0.000 0.254 319 V C 1.151 177.140 176.094 -0.174 0.000 1.456 319 V CA 0.402 62.584 62.300 -0.197 0.000 1.383 319 V CB -0.248 31.321 31.823 -0.424 0.000 1.433 319 V HN 0.609 nan 8.190 nan 0.000 0.499 320 R N 2.343 122.780 120.500 -0.105 0.000 2.084 320 R HA 0.309 4.650 4.340 0.001 0.000 0.209 320 R C 1.567 177.829 176.300 -0.063 0.000 1.173 320 R CA 0.733 56.780 56.100 -0.088 0.000 1.053 320 R CB -0.084 30.186 30.300 -0.050 0.000 0.948 320 R HN 0.689 nan 8.270 nan 0.000 0.460 321 G N 0.717 109.505 108.800 -0.020 0.000 2.771 321 G HA2 -0.165 3.796 3.960 0.001 0.000 0.242 321 G HA3 -0.165 3.796 3.960 0.001 0.000 0.242 321 G C 0.215 175.142 174.900 0.046 0.000 1.233 321 G CA -0.134 44.981 45.100 0.024 0.000 0.858 321 G HN 0.296 nan 8.290 nan 0.000 0.591 322 K N -0.083 120.391 120.400 0.124 0.000 2.103 322 K HA -0.104 4.217 4.320 0.001 0.000 0.204 322 K C 2.381 179.074 176.600 0.155 0.000 1.052 322 K CA 1.775 58.191 56.287 0.216 0.000 0.945 322 K CB -0.152 32.514 32.500 0.277 0.000 0.722 322 K HN 0.769 nan 8.250 nan 0.000 0.443 323 E N 0.793 121.051 120.200 0.097 0.000 2.106 323 E HA -0.185 4.166 4.350 0.001 0.000 0.192 323 E C 1.665 178.314 176.600 0.081 0.000 0.984 323 E CA 1.159 57.605 56.400 0.077 0.000 0.806 323 E CB -0.021 29.709 29.700 0.050 0.000 0.750 323 E HN 0.225 nan 8.360 nan 0.000 0.458 324 K N 0.589 121.027 120.400 0.065 0.000 2.062 324 K HA 0.012 4.332 4.320 0.001 0.000 0.205 324 K C 2.296 178.949 176.600 0.088 0.000 1.051 324 K CA 1.018 57.343 56.287 0.063 0.000 0.941 324 K CB -0.131 32.382 32.500 0.022 0.000 0.719 324 K HN 0.160 nan 8.250 nan 0.000 0.440 325 L N 1.036 122.291 121.223 0.053 0.000 2.131 325 L HA -0.216 4.124 4.340 0.001 0.000 0.210 325 L C 2.432 179.402 176.870 0.166 0.000 1.092 325 L CA 1.186 56.061 54.840 0.058 0.000 0.759 325 L CB -0.192 41.826 42.059 -0.069 0.000 0.903 325 L HN 0.228 nan 8.230 nan 0.000 0.435 326 E N 0.571 120.872 120.200 0.170 0.000 2.015 326 E HA -0.280 4.071 4.350 0.001 0.000 0.191 326 E C 2.019 178.708 176.600 0.148 0.000 0.991 326 E CA 1.585 58.089 56.400 0.174 0.000 0.802 326 E CB -0.007 29.787 29.700 0.156 0.000 0.759 326 E HN 0.209 nan 8.360 nan 0.000 0.447 327 K N -0.040 120.440 120.400 0.133 0.000 2.113 327 K HA -0.208 4.112 4.320 0.001 0.000 0.208 327 K C 1.941 178.626 176.600 0.143 0.000 1.047 327 K CA 1.806 58.164 56.287 0.118 0.000 0.928 327 K CB -0.808 31.757 32.500 0.109 0.000 0.716 327 K HN 0.258 nan 8.250 nan 0.000 0.446 328 F N 1.328 121.300 119.950 0.037 0.000 2.186 328 F HA -0.093 4.434 4.527 0.001 0.000 0.299 328 F C 2.127 177.952 175.800 0.042 0.000 1.090 328 F CA 1.687 59.703 58.000 0.028 0.000 1.307 328 F CB -0.462 38.539 39.000 0.001 0.000 1.019 328 F HN 0.260 nan 8.300 nan 0.000 0.489 329 S N -0.590 115.203 115.700 0.155 0.000 2.447 329 S HA -0.138 4.333 4.470 0.001 0.000 0.233 329 S C 1.740 176.349 174.600 0.015 0.000 1.006 329 S CA 0.931 59.180 58.200 0.082 0.000 0.957 329 S CB -0.546 62.739 63.200 0.142 0.000 0.773 329 S HN 0.434 nan 8.310 nan 0.000 0.507 330 E N 1.498 121.716 120.200 0.030 0.000 2.204 330 E HA 0.021 4.372 4.350 0.001 0.000 0.194 330 E C 1.749 178.384 176.600 0.059 0.000 0.989 330 E CA 0.933 57.370 56.400 0.062 0.000 0.824 330 E CB -0.394 29.331 29.700 0.042 0.000 0.756 330 E HN 0.679 nan 8.360 nan 0.000 0.477 331 M N 0.085 119.649 119.600 -0.059 0.000 2.659 331 M HA 0.028 4.508 4.480 0.001 0.000 0.243 331 M C 1.829 178.077 176.300 -0.087 0.000 1.111 331 M CA 0.384 55.645 55.300 -0.065 0.000 1.070 331 M CB 0.087 32.588 32.600 -0.165 0.000 1.525 331 M HN 0.003 nan 8.290 nan 0.000 0.517 332 L N -1.049 120.116 121.223 -0.095 0.000 2.418 332 L HA -0.025 4.316 4.340 0.001 0.000 0.218 332 L C 1.983 178.840 176.870 -0.023 0.000 1.125 332 L CA 0.412 55.217 54.840 -0.058 0.000 0.835 332 L CB 0.059 42.094 42.059 -0.040 0.000 0.953 332 L HN 0.205 nan 8.230 nan 0.000 0.454 333 V N -2.495 117.417 119.914 -0.004 0.000 3.497 333 V HA 0.172 4.292 4.120 0.001 0.000 0.272 333 V C 0.056 175.992 176.094 -0.262 0.000 1.474 333 V CA -0.129 62.120 62.300 -0.084 0.000 1.025 333 V CB 0.309 32.105 31.823 -0.044 0.000 0.820 333 V HN 0.308 nan 8.190 nan 0.000 0.437 334 H N 1.783 120.850 119.070 -0.005 0.000 2.953 334 H HA 0.384 4.940 4.556 0.000 0.000 0.290 334 H C -2.655 172.673 175.328 0.000 0.000 1.113 334 H CA -1.753 54.293 56.048 -0.003 0.000 1.454 334 H CB 1.425 31.183 29.762 -0.006 0.000 1.525 334 H HN 0.279 nan 8.280 nan 0.000 0.505 335 P HA -0.166 nan 4.420 nan 0.000 0.261 335 P C -0.068 177.269 177.300 0.062 0.000 1.165 335 P CA 0.483 63.622 63.100 0.064 0.000 0.759 335 P CB 0.221 31.942 31.700 0.036 0.000 0.772 336 Y N 4.989 125.254 120.300 -0.058 0.000 2.480 336 Y HA 0.318 4.869 4.550 0.001 0.000 0.338 336 Y C 0.096 175.840 175.900 -0.258 0.000 1.220 336 Y CA 0.119 58.138 58.100 -0.136 0.000 1.430 336 Y CB 0.537 38.922 38.460 -0.125 0.000 1.311 336 Y HN 0.254 nan 8.280 nan 0.000 0.575 337 V N 4.395 123.688 119.914 -1.034 0.000 2.808 337 V HA 0.565 4.685 4.120 0.001 0.000 0.308 337 V C -2.414 173.027 176.094 -1.089 0.000 1.099 337 V CA -2.198 59.569 62.300 -0.889 0.000 0.920 337 V CB 0.826 32.397 31.823 -0.421 0.000 1.014 337 V HN 0.779 nan 8.190 nan 0.000 0.425 338 P HA 0.000 nan 4.420 nan 0.000 0.216 338 P CA 0.000 62.864 63.100 -0.393 0.000 0.800 338 P CB 0.000 31.595 31.700 -0.175 0.000 0.726