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 2v5d_1_A DATA FIRST_RESID 41 DATA SEQUENCE VLVPNLNPTP ENLEVVGDGF KITSSINLVG EEEADENAVN ALREFLTANN DATA SEQUENCE IEINSENDPN STTLIIGEVD DDIPELDEAL NGTTAENLKE EGYALVSNDG DATA SEQUENCE KIAIEGKDGD GTFYGVQTFK QLVKESNIPE VNITDYPTVS ARGIVEGFYG DATA SEQUENCE TPWTHQDRLD QIKFYGENKL NTYIYAPKDD PYHREKWXXX XXESEMQRMQ DATA SEQUENCE ELINASAENK VDFVFGISPG IDIRFDGDAG EEDFNHLITK AESLYDMGVR DATA SEQUENCE SFAIYWDDIQ DKSAAKHAQV LNRFNEEFVK AKGDVKPLIT VPTEYDTGAM DATA SEQUENCE VSNGQPRAYT RIFAETVDPS IEVMWTGPGV VTNEIPLSDA QLISGIYNRN DATA SEQUENCE MAVWWNYPVT DYFKGKLALG PMHGLDKGLN QYVDFFTVNP MEHAELSKIS DATA SEQUENCE IHTAADYSWN MDNYDYDKAW NRAIDMLYGD LAEDMKVFAN HSTRMDNKTW DATA SEQUENCE AKSGREDAPE LRAKMDELWN KLSSKEDASA LIEELYGEFA RMEEACNNLK DATA SEQUENCE ANLPEVALEE CSRQLDELIT LAQGDKASLD MIVAQLNEDT EAYESAKEIA DATA SEQUENCE QNKLNTALSS FAVISEKVAQ SFIQEALSFD LTLINPRTVK ITASSEETSG DATA SEQUENCE ENAPASFASD GDMNTFWHSK WSSPAHEGPH HLTLELDNVY EINKVKYAPR DATA SEQUENCE QDSKNGRITG YKVSVSLDGE NFTEVKTGTL EDNAAIKFIE FDSVDAKYVR DATA SEQUENCE LDVTDSVSDQ ANGRGKFATA AEVNVHG 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 41 V HA 0.000 nan 4.120 nan 0.000 0.244 41 V C 0.000 176.075 176.094 -0.032 0.000 1.182 41 V CA 0.000 62.281 62.300 -0.032 0.000 1.235 41 V CB 0.000 31.790 31.823 -0.055 0.000 1.184 42 L N 1.864 123.068 121.223 -0.032 0.000 2.416 42 L HA 0.748 4.950 4.340 -0.230 0.000 0.263 42 L C 0.341 177.189 176.870 -0.037 0.000 1.065 42 L CA -0.605 54.218 54.840 -0.028 0.000 0.798 42 L CB 1.573 43.619 42.059 -0.023 0.000 1.267 42 L HN 0.694 nan 8.230 nan 0.000 0.467 43 V N 2.279 122.175 119.914 -0.030 0.000 2.470 43 V HA 0.204 4.186 4.120 -0.230 0.000 0.276 43 V C -1.760 174.312 176.094 -0.037 0.000 1.040 43 V CA -1.189 61.090 62.300 -0.034 0.000 1.008 43 V CB 0.261 32.070 31.823 -0.023 0.000 0.990 43 V HN 0.704 nan 8.190 nan 0.000 0.477 44 P HA 0.187 nan 4.420 nan 0.000 0.275 44 P C -0.479 176.800 177.300 -0.036 0.000 1.270 44 P CA -0.694 62.379 63.100 -0.045 0.000 0.791 44 P CB 0.333 31.998 31.700 -0.059 0.000 1.089 45 N N 0.221 118.905 118.700 -0.028 0.000 2.416 45 N HA 0.136 4.738 4.740 -0.230 0.000 0.265 45 N C -0.335 175.168 175.510 -0.011 0.000 1.195 45 N CA 0.327 53.369 53.050 -0.012 0.000 0.943 45 N CB -0.503 37.983 38.487 -0.003 0.000 1.115 45 N HN 0.288 nan 8.380 nan 0.000 0.481 46 L N 1.963 123.175 121.223 -0.018 0.000 2.375 46 L HA 0.468 4.670 4.340 -0.230 0.000 0.268 46 L C 0.321 177.164 176.870 -0.044 0.000 1.058 46 L CA -0.724 54.087 54.840 -0.047 0.000 0.803 46 L CB 1.037 43.060 42.059 -0.061 0.000 1.212 46 L HN 0.500 nan 8.230 nan 0.000 0.451 47 N N 1.194 119.821 118.700 -0.122 0.000 2.578 47 N HA 0.381 4.983 4.740 -0.230 0.000 0.282 47 N C -2.890 172.421 175.510 -0.332 0.000 1.119 47 N CA -1.011 51.909 53.050 -0.216 0.000 0.948 47 N CB 2.282 40.579 38.487 -0.318 0.000 1.546 47 N HN 0.063 nan 8.380 nan 0.000 0.525 48 P HA 0.225 nan 4.420 nan 0.000 0.274 48 P C -0.629 176.535 177.300 -0.227 0.000 1.256 48 P CA -0.261 62.659 63.100 -0.301 0.000 0.795 48 P CB 0.439 31.895 31.700 -0.406 0.000 1.038 49 T N 2.770 117.268 114.554 -0.093 0.000 2.799 49 T HA 0.234 4.445 4.350 -0.230 0.000 0.296 49 T C -2.136 172.543 174.700 -0.035 0.000 0.947 49 T CA -0.760 61.313 62.100 -0.045 0.000 1.141 49 T CB -0.536 68.336 68.868 0.005 0.000 0.891 49 T HN 0.304 nan 8.240 nan 0.000 0.533 50 P HA 0.127 nan 4.420 nan 0.000 0.269 50 P C 1.063 178.353 177.300 -0.015 0.000 1.215 50 P CA -0.345 62.752 63.100 -0.005 0.000 0.780 50 P CB 0.718 32.424 31.700 0.010 0.000 0.898 51 E N 0.535 120.700 120.200 -0.057 0.000 2.051 51 E HA -0.077 4.134 4.350 -0.230 0.000 0.192 51 E C 0.054 176.622 176.600 -0.054 0.000 0.991 51 E CA 1.573 57.900 56.400 -0.121 0.000 0.799 51 E CB -0.169 29.337 29.700 -0.322 0.000 0.748 51 E HN 0.474 nan 8.360 nan 0.000 0.449 52 N N -0.012 118.670 118.700 -0.029 0.000 2.296 52 N HA 0.427 5.029 4.740 -0.230 0.000 0.294 52 N C -0.951 174.563 175.510 0.007 0.000 1.033 52 N CA -0.327 52.722 53.050 -0.000 0.000 0.839 52 N CB 2.506 41.005 38.487 0.021 0.000 1.395 52 N HN -0.023 nan 8.380 nan 0.000 0.479 53 L N 0.565 121.794 121.223 0.011 0.000 2.526 53 L HA 0.472 4.674 4.340 -0.230 0.000 0.263 53 L C -1.303 175.577 176.870 0.017 0.000 0.943 53 L CA -0.382 54.469 54.840 0.018 0.000 0.859 53 L CB 2.266 44.334 42.059 0.015 0.000 1.313 53 L HN 0.518 nan 8.230 nan 0.000 0.406 54 E N 3.006 123.220 120.200 0.023 0.000 2.308 54 E HA 0.401 4.612 4.350 -0.230 0.000 0.275 54 E C -1.616 174.999 176.600 0.024 0.000 0.890 54 E CA -0.770 55.642 56.400 0.021 0.000 0.754 54 E CB 2.605 32.319 29.700 0.022 0.000 1.207 54 E HN 0.403 nan 8.360 nan 0.000 0.426 55 V N 5.211 125.137 119.914 0.020 0.000 2.370 55 V HA 0.015 3.997 4.120 -0.230 0.000 0.257 55 V C 1.014 177.124 176.094 0.027 0.000 1.064 55 V CA 0.176 62.489 62.300 0.022 0.000 0.975 55 V CB 0.661 32.493 31.823 0.014 0.000 1.067 55 V HN 0.672 nan 8.190 nan 0.000 0.485 56 V N 4.838 124.774 119.914 0.037 0.000 2.599 56 V HA 0.347 4.328 4.120 -0.230 0.000 0.245 56 V C 1.191 177.311 176.094 0.044 0.000 1.046 56 V CA 1.881 64.205 62.300 0.040 0.000 1.065 56 V CB 0.444 32.295 31.823 0.047 0.000 0.703 56 V HN 0.832 nan 8.190 nan 0.000 0.464 57 G N -1.641 107.191 108.800 0.054 0.000 3.211 57 G HA2 0.364 4.186 3.960 -0.230 0.000 0.262 57 G HA3 0.364 4.186 3.960 -0.230 0.000 0.262 57 G C -0.392 174.538 174.900 0.051 0.000 1.352 57 G CA 0.392 45.528 45.100 0.060 0.000 1.004 57 G HN 0.136 nan 8.290 nan 0.000 0.559 58 D N -0.545 119.890 120.400 0.058 0.000 2.269 58 D HA 0.347 4.849 4.640 -0.230 0.000 0.220 58 D C 1.226 177.546 176.300 0.033 0.000 0.962 58 D CA 1.666 55.690 54.000 0.041 0.000 0.884 58 D CB 0.572 41.397 40.800 0.041 0.000 1.023 58 D HN 0.958 nan 8.370 nan 0.000 0.484 59 G N 0.125 108.966 108.800 0.068 0.000 2.317 59 G HA2 0.313 4.134 3.960 -0.230 0.000 0.445 59 G HA3 0.313 4.134 3.960 -0.230 0.000 0.445 59 G C -1.432 173.533 174.900 0.109 0.000 1.486 59 G CA -0.675 44.435 45.100 0.016 0.000 0.991 59 G HN 0.133 nan 8.290 nan 0.000 0.660 60 F N -0.911 119.053 119.950 0.022 0.000 2.613 60 F HA 0.906 5.295 4.527 -0.230 0.000 0.314 60 F C -0.294 175.520 175.800 0.024 0.000 1.075 60 F CA -1.572 56.441 58.000 0.023 0.000 0.945 60 F CB 2.014 41.030 39.000 0.027 0.000 1.310 60 F HN 0.569 nan 8.300 nan 0.000 0.467 61 K N 2.320 122.853 120.400 0.223 0.000 2.143 61 K HA 0.569 4.751 4.320 -0.230 0.000 0.272 61 K C -0.832 175.909 176.600 0.236 0.000 1.001 61 K CA -0.591 55.768 56.287 0.121 0.000 0.915 61 K CB 0.941 33.491 32.500 0.083 0.000 1.047 61 K HN 0.763 nan 8.250 nan 0.000 0.458 62 I N 3.406 124.062 120.570 0.144 0.000 2.428 62 I HA 0.057 4.089 4.170 -0.230 0.000 0.289 62 I C 0.835 177.023 176.117 0.118 0.000 1.019 62 I CA -0.591 60.822 61.300 0.188 0.000 1.351 62 I CB 1.440 39.530 38.000 0.150 0.000 1.412 62 I HN 0.727 nan 8.210 nan 0.000 0.513 63 T N 1.232 115.855 114.554 0.115 0.000 2.898 63 T HA 0.114 4.326 4.350 -0.230 0.000 0.301 63 T C 1.102 175.831 174.700 0.047 0.000 1.049 63 T CA -0.730 61.411 62.100 0.068 0.000 1.095 63 T CB 1.314 70.215 68.868 0.055 0.000 0.976 63 T HN 0.583 nan 8.240 nan 0.000 0.539 64 S N 1.011 116.727 115.700 0.026 0.000 2.382 64 S HA 0.004 4.336 4.470 -0.230 0.000 0.228 64 S C 1.101 175.708 174.600 0.011 0.000 1.027 64 S CA 0.934 59.140 58.200 0.011 0.000 0.991 64 S CB -0.173 63.029 63.200 0.003 0.000 0.823 64 S HN 0.832 nan 8.310 nan 0.000 0.469 65 S N 0.319 116.029 115.700 0.017 0.000 2.502 65 S HA 0.701 5.033 4.470 -0.230 0.000 0.304 65 S C -0.417 174.199 174.600 0.026 0.000 1.097 65 S CA -0.990 57.220 58.200 0.017 0.000 1.045 65 S CB 0.444 63.650 63.200 0.009 0.000 1.019 65 S HN 0.360 nan 8.310 nan 0.000 0.481 66 I N 1.891 122.479 120.570 0.031 0.000 3.264 66 I HA 0.710 4.742 4.170 -0.230 0.000 0.309 66 I C -0.674 175.455 176.117 0.020 0.000 1.099 66 I CA -1.118 60.203 61.300 0.035 0.000 0.989 66 I CB 1.854 39.889 38.000 0.059 0.000 1.250 66 I HN 0.463 nan 8.210 nan 0.000 0.478 67 N N 2.221 120.930 118.700 0.014 0.000 2.399 67 N HA 0.441 5.043 4.740 -0.230 0.000 0.284 67 N C -1.767 173.741 175.510 -0.003 0.000 1.025 67 N CA -0.443 52.609 53.050 0.004 0.000 0.885 67 N CB 2.333 40.820 38.487 -0.000 0.000 1.339 67 N HN 0.745 nan 8.380 nan 0.000 0.487 68 L N 3.119 124.339 121.223 -0.006 0.000 2.334 68 L HA 0.519 4.720 4.340 -0.230 0.000 0.277 68 L C -0.737 176.123 176.870 -0.017 0.000 1.075 68 L CA -0.569 54.261 54.840 -0.017 0.000 0.804 68 L CB 1.183 43.233 42.059 -0.016 0.000 1.174 68 L HN 0.206 nan 8.230 nan 0.000 0.438 69 V N 2.898 122.798 119.914 -0.023 0.000 2.540 69 V HA 0.637 4.619 4.120 -0.230 0.000 0.302 69 V C 0.333 176.415 176.094 -0.019 0.000 1.035 69 V CA -0.055 62.234 62.300 -0.018 0.000 0.873 69 V CB 1.322 33.135 31.823 -0.017 0.000 0.992 69 V HN 0.965 nan 8.190 nan 0.000 0.428 70 G N 3.946 112.738 108.800 -0.012 0.000 2.545 70 G HA2 -0.147 3.675 3.960 -0.230 0.000 0.279 70 G HA3 -0.147 3.675 3.960 -0.230 0.000 0.279 70 G C -0.008 174.886 174.900 -0.010 0.000 1.131 70 G CA 0.275 45.369 45.100 -0.010 0.000 1.100 70 G HN 0.839 nan 8.290 nan 0.000 0.525 71 E N 0.042 120.238 120.200 -0.007 0.000 2.162 71 E HA 0.080 4.292 4.350 -0.230 0.000 0.193 71 E C 2.316 178.917 176.600 0.000 0.000 0.953 71 E CA 0.959 57.357 56.400 -0.004 0.000 0.849 71 E CB -0.119 29.579 29.700 -0.002 0.000 0.810 71 E HN 0.772 nan 8.360 nan 0.000 0.470 72 E N 1.354 121.554 120.200 0.001 0.000 2.072 72 E HA -0.173 4.039 4.350 -0.230 0.000 0.191 72 E C 1.550 178.152 176.600 0.003 0.000 0.985 72 E CA 1.005 57.406 56.400 0.002 0.000 0.801 72 E CB -0.126 29.575 29.700 0.001 0.000 0.750 72 E HN 0.069 nan 8.360 nan 0.000 0.452 73 E N 1.031 121.233 120.200 0.003 0.000 2.230 73 E HA 0.126 4.338 4.350 -0.230 0.000 0.192 73 E C 0.951 177.555 176.600 0.007 0.000 0.987 73 E CA 0.550 56.953 56.400 0.005 0.000 0.841 73 E CB 0.215 29.918 29.700 0.005 0.000 0.783 73 E HN 0.337 nan 8.360 nan 0.000 0.481 74 A N 1.632 124.456 122.820 0.006 0.000 2.292 74 A HA 0.030 4.212 4.320 -0.230 0.000 0.265 74 A C 0.065 177.657 177.584 0.012 0.000 1.133 74 A CA -0.332 51.710 52.037 0.009 0.000 0.807 74 A CB 0.073 19.075 19.000 0.003 0.000 1.102 74 A HN -0.001 nan 8.150 nan 0.000 0.502 75 D N -0.958 119.453 120.400 0.018 0.000 2.458 75 D HA 0.066 4.568 4.640 -0.230 0.000 0.243 75 D C 1.029 177.342 176.300 0.022 0.000 1.146 75 D CA 0.575 54.587 54.000 0.020 0.000 0.877 75 D CB 0.651 41.469 40.800 0.030 0.000 1.176 75 D HN 0.579 nan 8.370 nan 0.000 0.461 76 E N 2.512 122.720 120.200 0.014 0.000 2.072 76 E HA -0.209 4.003 4.350 -0.230 0.000 0.191 76 E C 1.041 177.656 176.600 0.025 0.000 0.985 76 E CA 0.761 57.169 56.400 0.014 0.000 0.801 76 E CB 0.164 29.866 29.700 0.004 0.000 0.750 76 E HN 0.480 nan 8.360 nan 0.000 0.452 77 N N 0.279 118.991 118.700 0.020 0.000 2.331 77 N HA -0.097 4.505 4.740 -0.230 0.000 0.180 77 N C 1.480 177.081 175.510 0.153 0.000 1.019 77 N CA 1.043 54.114 53.050 0.035 0.000 0.881 77 N CB -0.153 38.298 38.487 -0.060 0.000 0.972 77 N HN 0.184 nan 8.380 nan 0.000 0.435 78 A N 0.439 123.357 122.820 0.164 0.000 1.968 78 A HA 0.005 4.187 4.320 -0.230 0.000 0.217 78 A C 2.344 179.973 177.584 0.075 0.000 1.169 78 A CA 0.863 53.024 52.037 0.207 0.000 0.638 78 A CB -0.303 18.768 19.000 0.118 0.000 0.812 78 A HN 0.099 nan 8.150 nan 0.000 0.446 79 V N 0.607 120.552 119.914 0.051 0.000 2.649 79 V HA -0.197 3.785 4.120 -0.230 0.000 0.248 79 V C 1.988 178.109 176.094 0.044 0.000 1.054 79 V CA 1.741 64.056 62.300 0.026 0.000 1.073 79 V CB -1.108 30.724 31.823 0.015 0.000 0.699 79 V HN 0.610 nan 8.190 nan 0.000 0.463 80 N N 0.973 119.709 118.700 0.060 0.000 2.149 80 N HA -0.183 4.419 4.740 -0.230 0.000 0.188 80 N C 1.930 177.489 175.510 0.081 0.000 1.019 80 N CA 1.265 54.353 53.050 0.063 0.000 0.857 80 N CB -0.234 38.289 38.487 0.059 0.000 0.997 80 N HN 0.501 nan 8.380 nan 0.000 0.426 81 A N 0.982 123.863 122.820 0.102 0.000 1.930 81 A HA -0.070 4.112 4.320 -0.230 0.000 0.217 81 A C 2.096 179.723 177.584 0.073 0.000 1.175 81 A CA 0.837 52.926 52.037 0.087 0.000 0.627 81 A CB -0.427 18.615 19.000 0.071 0.000 0.815 81 A HN 0.219 nan 8.150 nan 0.000 0.443 82 L N -0.355 120.902 121.223 0.057 0.000 2.109 82 L HA 0.005 4.207 4.340 -0.230 0.000 0.207 82 L C 2.355 179.329 176.870 0.174 0.000 1.086 82 L CA 1.624 56.531 54.840 0.113 0.000 0.760 82 L CB -0.550 41.525 42.059 0.028 0.000 0.910 82 L HN 0.312 nan 8.230 nan 0.000 0.437 83 R N -0.523 120.039 120.500 0.104 0.000 2.081 83 R HA -0.180 4.022 4.340 -0.230 0.000 0.235 83 R C 2.232 178.585 176.300 0.089 0.000 1.131 83 R CA 1.702 57.852 56.100 0.084 0.000 0.960 83 R CB -0.281 30.050 30.300 0.052 0.000 0.856 83 R HN 0.488 nan 8.270 nan 0.000 0.436 84 E N -0.188 120.072 120.200 0.100 0.000 2.216 84 E HA -0.157 4.055 4.350 -0.230 0.000 0.192 84 E C 1.542 178.209 176.600 0.111 0.000 0.988 84 E CA 0.452 56.903 56.400 0.084 0.000 0.834 84 E CB 0.019 29.765 29.700 0.077 0.000 0.772 84 E HN 0.206 nan 8.360 nan 0.000 0.479 85 F N 1.132 121.095 119.950 0.021 0.000 2.171 85 F HA -0.146 4.370 4.527 -0.018 0.000 0.300 85 F C 1.654 177.472 175.800 0.030 0.000 1.090 85 F CA 1.246 59.258 58.000 0.020 0.000 1.293 85 F CB -0.097 38.925 39.000 0.037 0.000 1.013 85 F HN -0.014 nan 8.300 nan 0.000 0.486 86 L N -0.558 120.643 121.223 -0.036 0.000 2.093 86 L HA -0.192 4.009 4.340 -0.230 0.000 0.208 86 L C 2.288 179.079 176.870 -0.131 0.000 1.085 86 L CA 1.659 56.426 54.840 -0.122 0.000 0.755 86 L CB -1.191 40.888 42.059 0.032 0.000 0.904 86 L HN 0.115 nan 8.230 nan 0.000 0.435 87 T N -0.102 114.411 114.554 -0.068 0.000 2.821 87 T HA -0.114 4.097 4.350 -0.230 0.000 0.267 87 T C 2.003 176.651 174.700 -0.087 0.000 1.046 87 T CA 1.240 63.306 62.100 -0.056 0.000 1.139 87 T CB -0.177 68.680 68.868 -0.019 0.000 0.871 87 T HN 0.427 nan 8.240 nan 0.000 0.454 88 A N 1.917 124.669 122.820 -0.115 0.000 1.968 88 A HA 0.016 4.198 4.320 -0.230 0.000 0.217 88 A C 1.931 179.408 177.584 -0.180 0.000 1.169 88 A CA 0.880 52.846 52.037 -0.119 0.000 0.638 88 A CB -0.383 18.569 19.000 -0.081 0.000 0.812 88 A HN 0.514 nan 8.150 nan 0.000 0.446 89 N N -0.057 118.461 118.700 -0.302 0.000 2.276 89 N HA -0.013 4.589 4.740 -0.230 0.000 0.212 89 N C -0.333 175.061 175.510 -0.194 0.000 1.127 89 N CA 0.082 52.950 53.050 -0.304 0.000 0.834 89 N CB 0.132 38.297 38.487 -0.537 0.000 1.014 89 N HN 0.383 nan 8.380 nan 0.000 0.491 90 N N 1.317 119.933 118.700 -0.141 0.000 2.756 90 N HA -0.152 4.450 4.740 -0.230 0.000 0.248 90 N C -1.416 174.049 175.510 -0.075 0.000 1.062 90 N CA 0.613 53.610 53.050 -0.088 0.000 0.696 90 N CB -1.414 37.031 38.487 -0.070 0.000 0.946 90 N HN 0.337 nan 8.380 nan 0.000 0.548 91 I N 0.018 120.541 120.570 -0.079 0.000 2.545 91 I HA 0.359 4.391 4.170 -0.230 0.000 0.292 91 I C 0.202 176.306 176.117 -0.021 0.000 1.040 91 I CA -0.853 60.421 61.300 -0.042 0.000 1.068 91 I CB 1.962 39.939 38.000 -0.037 0.000 1.251 91 I HN -0.051 nan 8.210 nan 0.000 0.424 92 E N 5.454 125.651 120.200 -0.006 0.000 2.235 92 E HA 0.608 4.820 4.350 -0.230 0.000 0.265 92 E C -0.877 175.729 176.600 0.010 0.000 0.940 92 E CA -0.819 55.581 56.400 0.000 0.000 0.819 92 E CB 3.136 32.834 29.700 -0.003 0.000 1.206 92 E HN 0.430 nan 8.360 nan 0.000 0.409 93 I N 2.181 122.756 120.570 0.010 0.000 2.377 93 I HA 0.195 4.227 4.170 -0.230 0.000 0.293 93 I C 0.200 176.321 176.117 0.007 0.000 0.987 93 I CA -0.846 60.461 61.300 0.011 0.000 1.185 93 I CB 1.007 39.013 38.000 0.011 0.000 1.341 93 I HN 0.105 nan 8.210 nan 0.000 0.455 94 N N 3.454 122.158 118.700 0.006 0.000 2.518 94 N HA 0.044 4.646 4.740 -0.230 0.000 0.266 94 N C 1.052 176.563 175.510 0.002 0.000 1.196 94 N CA -0.012 53.040 53.050 0.004 0.000 0.947 94 N CB 1.467 39.956 38.487 0.003 0.000 1.098 94 N HN 0.696 nan 8.380 nan 0.000 0.450 95 S N 1.001 116.701 115.700 0.001 0.000 2.377 95 S HA -0.097 4.235 4.470 -0.230 0.000 0.223 95 S C 0.590 175.190 174.600 -0.001 0.000 1.030 95 S CA 0.526 58.727 58.200 0.000 0.000 0.970 95 S CB -0.219 62.981 63.200 0.000 0.000 0.830 95 S HN 0.771 nan 8.310 nan 0.000 0.473 96 E N 1.106 121.305 120.200 -0.001 0.000 2.232 96 E HA 0.391 4.603 4.350 -0.230 0.000 0.264 96 E C -0.706 175.893 176.600 -0.002 0.000 0.973 96 E CA -1.138 55.261 56.400 -0.002 0.000 0.849 96 E CB 0.510 30.209 29.700 -0.002 0.000 1.198 96 E HN 0.106 nan 8.360 nan 0.000 0.407 97 N N 1.189 119.887 118.700 -0.003 0.000 2.492 97 N HA 0.015 4.617 4.740 -0.230 0.000 0.260 97 N C -1.206 174.301 175.510 -0.005 0.000 1.215 97 N CA 0.426 53.474 53.050 -0.004 0.000 0.923 97 N CB 0.479 38.962 38.487 -0.006 0.000 1.092 97 N HN 0.457 nan 8.380 nan 0.000 0.448 98 D N 3.326 123.723 120.400 -0.005 0.000 2.855 98 D HA 0.200 4.702 4.640 -0.230 0.000 0.241 98 D C -1.594 174.701 176.300 -0.009 0.000 1.277 98 D CA -0.923 53.074 54.000 -0.005 0.000 0.918 98 D CB 2.427 43.225 40.800 -0.003 0.000 1.462 98 D HN 0.373 nan 8.370 nan 0.000 0.559 99 P HA -0.069 nan 4.420 nan 0.000 0.227 99 P C 0.876 178.165 177.300 -0.017 0.000 1.161 99 P CA 0.559 63.650 63.100 -0.015 0.000 0.788 99 P CB 0.532 32.223 31.700 -0.014 0.000 0.822 100 N N -0.059 118.634 118.700 -0.012 0.000 2.270 100 N HA -0.045 4.557 4.740 -0.230 0.000 0.181 100 N C 0.626 176.132 175.510 -0.008 0.000 1.016 100 N CA 0.565 53.609 53.050 -0.010 0.000 0.870 100 N CB -0.811 37.673 38.487 -0.004 0.000 0.979 100 N HN 0.015 nan 8.380 nan 0.000 0.431 101 S N 0.173 115.870 115.700 -0.005 0.000 2.669 101 S HA 0.295 4.627 4.470 -0.230 0.000 0.270 101 S C 0.117 174.715 174.600 -0.003 0.000 1.225 101 S CA -0.585 57.617 58.200 0.004 0.000 0.991 101 S CB 1.221 64.427 63.200 0.010 0.000 0.987 101 S HN 0.218 nan 8.310 nan 0.000 0.552 102 T N 2.474 117.039 114.554 0.018 0.000 2.913 102 T HA 0.373 4.585 4.350 -0.230 0.000 0.297 102 T C -0.085 174.627 174.700 0.019 0.000 1.029 102 T CA -0.215 61.895 62.100 0.017 0.000 1.104 102 T CB 0.585 69.515 68.868 0.103 0.000 0.964 102 T HN 0.506 nan 8.240 nan 0.000 0.532 103 T N 4.024 118.578 114.554 -0.000 0.000 2.792 103 T HA 0.442 4.654 4.350 -0.230 0.000 0.280 103 T C -0.846 173.850 174.700 -0.006 0.000 0.990 103 T CA -0.706 61.390 62.100 -0.006 0.000 0.960 103 T CB 0.921 69.776 68.868 -0.021 0.000 0.939 103 T HN 0.316 nan 8.240 nan 0.000 0.439 104 L N 5.342 126.548 121.223 -0.028 0.000 2.295 104 L HA 0.566 4.768 4.340 -0.230 0.000 0.281 104 L C -1.323 175.497 176.870 -0.084 0.000 1.018 104 L CA -0.698 54.091 54.840 -0.085 0.000 0.841 104 L CB 0.190 42.155 42.059 -0.157 0.000 1.218 104 L HN 0.585 nan 8.230 nan 0.000 0.424 105 I N 6.135 126.663 120.570 -0.070 0.000 2.385 105 I HA 0.490 4.522 4.170 -0.230 0.000 0.294 105 I C 0.050 176.130 176.117 -0.061 0.000 0.988 105 I CA -0.098 61.171 61.300 -0.050 0.000 1.265 105 I CB 1.768 39.752 38.000 -0.026 0.000 1.388 105 I HN 0.510 nan 8.210 nan 0.000 0.480 106 I N 3.922 124.463 120.570 -0.049 0.000 2.827 106 I HA 0.868 4.900 4.170 -0.230 0.000 0.298 106 I C -0.210 175.896 176.117 -0.018 0.000 1.235 106 I CA 0.031 61.305 61.300 -0.044 0.000 1.021 106 I CB 2.015 39.972 38.000 -0.071 0.000 1.259 106 I HN 0.721 nan 8.210 nan 0.000 0.427 107 G N 4.747 113.545 108.800 -0.003 0.000 2.392 107 G HA2 0.397 4.219 3.960 -0.230 0.000 0.260 107 G HA3 0.397 4.219 3.960 -0.230 0.000 0.260 107 G C -1.896 173.019 174.900 0.025 0.000 1.226 107 G CA -0.445 44.661 45.100 0.010 0.000 0.913 107 G HN 0.529 nan 8.290 nan 0.000 0.483 108 E N -1.728 118.488 120.200 0.028 0.000 2.431 108 E HA 0.625 4.837 4.350 -0.230 0.000 0.268 108 E C 1.027 177.647 176.600 0.034 0.000 0.953 108 E CA -0.656 55.767 56.400 0.038 0.000 0.810 108 E CB 2.155 31.876 29.700 0.036 0.000 1.369 108 E HN 0.225 nan 8.360 nan 0.000 0.440 109 V N 0.525 120.461 119.914 0.038 0.000 2.453 109 V HA -0.186 3.796 4.120 -0.230 0.000 0.247 109 V C 1.580 177.688 176.094 0.023 0.000 1.048 109 V CA 2.131 64.449 62.300 0.030 0.000 1.049 109 V CB -0.390 31.451 31.823 0.031 0.000 0.672 109 V HN 0.735 nan 8.190 nan 0.000 0.457 110 D N 0.252 120.666 120.400 0.024 0.000 2.133 110 D HA -0.143 4.359 4.640 -0.230 0.000 0.195 110 D C 0.617 176.927 176.300 0.016 0.000 0.997 110 D CA 0.990 55.002 54.000 0.019 0.000 0.840 110 D CB -0.185 40.627 40.800 0.021 0.000 0.947 110 D HN 0.415 nan 8.370 nan 0.000 0.452 111 D N 0.867 121.277 120.400 0.017 0.000 2.382 111 D HA 0.087 4.589 4.640 -0.230 0.000 0.245 111 D C -0.564 175.743 176.300 0.012 0.000 1.120 111 D CA 0.150 54.158 54.000 0.013 0.000 0.890 111 D CB 0.780 41.588 40.800 0.013 0.000 1.201 111 D HN 0.149 nan 8.370 nan 0.000 0.433 112 D N 2.294 122.700 120.400 0.009 0.000 2.518 112 D HA 0.258 4.760 4.640 -0.230 0.000 0.230 112 D C 0.062 176.366 176.300 0.006 0.000 1.138 112 D CA -0.208 53.797 54.000 0.008 0.000 0.964 112 D CB 0.465 41.269 40.800 0.007 0.000 1.011 112 D HN 0.251 nan 8.370 nan 0.000 0.517 113 I N 3.150 123.724 120.570 0.006 0.000 2.330 113 I HA 0.166 4.198 4.170 -0.230 0.000 0.289 113 I C -1.269 174.850 176.117 0.004 0.000 1.001 113 I CA -1.929 59.373 61.300 0.004 0.000 1.193 113 I CB 2.262 40.264 38.000 0.003 0.000 1.345 113 I HN -0.064 nan 8.210 nan 0.000 0.461 114 P HA -0.054 nan 4.420 nan 0.000 0.225 114 P C 0.849 178.150 177.300 0.001 0.000 1.156 114 P CA 1.065 64.166 63.100 0.002 0.000 0.787 114 P CB 0.476 32.176 31.700 0.001 0.000 0.802 115 E N -0.133 120.067 120.200 -0.001 0.000 2.107 115 E HA -0.045 4.167 4.350 -0.230 0.000 0.191 115 E C 2.110 178.709 176.600 -0.002 0.000 0.982 115 E CA 0.525 56.923 56.400 -0.003 0.000 0.809 115 E CB -0.866 28.831 29.700 -0.006 0.000 0.756 115 E HN 0.184 nan 8.360 nan 0.000 0.459 116 L N 0.712 121.936 121.223 0.001 0.000 2.023 116 L HA -0.164 4.038 4.340 -0.230 0.000 0.205 116 L C 1.452 178.327 176.870 0.009 0.000 1.073 116 L CA 1.414 56.257 54.840 0.004 0.000 0.745 116 L CB -0.037 42.026 42.059 0.006 0.000 0.900 116 L HN 0.076 nan 8.230 nan 0.000 0.435 117 D N -0.383 120.022 120.400 0.010 0.000 2.178 117 D HA -0.212 4.290 4.640 -0.230 0.000 0.201 117 D C 1.999 178.306 176.300 0.010 0.000 0.980 117 D CA 0.869 54.876 54.000 0.012 0.000 0.842 117 D CB 0.012 40.818 40.800 0.011 0.000 0.948 117 D HN 0.387 nan 8.370 nan 0.000 0.472 118 E N 0.936 121.140 120.200 0.006 0.000 2.072 118 E HA -0.086 4.126 4.350 -0.230 0.000 0.191 118 E C 1.888 178.490 176.600 0.005 0.000 0.985 118 E CA 0.653 57.055 56.400 0.004 0.000 0.801 118 E CB 0.061 29.761 29.700 -0.000 0.000 0.750 118 E HN 0.135 nan 8.360 nan 0.000 0.452 119 A N 0.928 123.751 122.820 0.005 0.000 2.066 119 A HA -0.046 4.136 4.320 -0.230 0.000 0.218 119 A C 2.327 179.922 177.584 0.018 0.000 1.157 119 A CA 0.512 52.554 52.037 0.007 0.000 0.670 119 A CB -0.371 18.632 19.000 0.004 0.000 0.804 119 A HN 0.233 nan 8.150 nan 0.000 0.453 120 L N -1.122 120.113 121.223 0.021 0.000 2.027 120 L HA -0.123 4.079 4.340 -0.230 0.000 0.206 120 L C 0.986 177.872 176.870 0.026 0.000 1.074 120 L CA 1.028 55.886 54.840 0.029 0.000 0.745 120 L CB -0.650 41.426 42.059 0.028 0.000 0.898 120 L HN 0.585 nan 8.230 nan 0.000 0.433 121 N N 0.628 119.339 118.700 0.020 0.000 2.714 121 N HA -0.196 4.406 4.740 -0.230 0.000 0.253 121 N C 0.625 176.146 175.510 0.018 0.000 1.024 121 N CA 0.945 54.005 53.050 0.017 0.000 0.726 121 N CB -0.884 37.612 38.487 0.016 0.000 0.908 121 N HN 0.699 nan 8.380 nan 0.000 0.542 122 G N -1.446 107.364 108.800 0.018 0.000 2.143 122 G HA2 -0.177 3.645 3.960 -0.230 0.000 0.175 122 G HA3 -0.177 3.645 3.960 -0.230 0.000 0.175 122 G C -0.152 174.760 174.900 0.020 0.000 1.004 122 G CA 0.237 45.347 45.100 0.017 0.000 0.671 122 G HN 0.600 nan 8.290 nan 0.000 0.512 123 T N 0.351 114.919 114.554 0.024 0.000 2.881 123 T HA 0.723 4.935 4.350 -0.230 0.000 0.290 123 T C -0.396 174.322 174.700 0.029 0.000 1.000 123 T CA 0.262 62.379 62.100 0.029 0.000 0.978 123 T CB 2.549 71.440 68.868 0.038 0.000 0.997 123 T HN 0.593 nan 8.240 nan 0.000 0.443 124 T N 0.194 114.764 114.554 0.027 0.000 2.864 124 T HA 0.682 4.894 4.350 -0.230 0.000 0.299 124 T C 0.092 174.810 174.700 0.030 0.000 1.166 124 T CA -0.043 62.072 62.100 0.026 0.000 1.007 124 T CB 1.416 70.294 68.868 0.016 0.000 1.219 124 T HN 0.572 nan 8.240 nan 0.000 0.506 125 A N 1.064 123.905 122.820 0.034 0.000 2.382 125 A HA 0.342 4.524 4.320 -0.230 0.000 0.228 125 A C 1.584 179.179 177.584 0.019 0.000 1.217 125 A CA 0.617 52.678 52.037 0.039 0.000 0.923 125 A CB -0.291 18.750 19.000 0.069 0.000 0.979 125 A HN 0.768 nan 8.150 nan 0.000 0.515 126 E N 2.295 122.500 120.200 0.009 0.000 2.152 126 E HA -0.181 4.031 4.350 -0.230 0.000 0.192 126 E C 1.647 178.233 176.600 -0.025 0.000 0.983 126 E CA 1.614 58.012 56.400 -0.003 0.000 0.818 126 E CB -0.305 29.395 29.700 -0.000 0.000 0.758 126 E HN 0.696 nan 8.360 nan 0.000 0.467 127 N N 0.514 119.195 118.700 -0.033 0.000 2.512 127 N HA -0.082 4.520 4.740 -0.230 0.000 0.183 127 N C 0.333 175.774 175.510 -0.116 0.000 1.073 127 N CA 0.324 53.337 53.050 -0.062 0.000 0.911 127 N CB -0.256 38.200 38.487 -0.050 0.000 0.964 127 N HN 0.212 nan 8.380 nan 0.000 0.447 128 L N 0.769 121.930 121.223 -0.104 0.000 2.399 128 L HA 0.294 4.496 4.340 -0.230 0.000 0.265 128 L C 0.954 177.734 176.870 -0.149 0.000 1.089 128 L CA -1.086 53.650 54.840 -0.173 0.000 0.802 128 L CB 0.915 42.937 42.059 -0.062 0.000 1.180 128 L HN 0.116 nan 8.230 nan 0.000 0.454 129 K N 0.342 120.614 120.400 -0.214 0.000 2.362 129 K HA 0.341 4.523 4.320 -0.230 0.000 0.245 129 K C -0.414 176.169 176.600 -0.028 0.000 1.040 129 K CA -0.822 55.390 56.287 -0.125 0.000 0.961 129 K CB 0.494 32.896 32.500 -0.164 0.000 1.252 129 K HN 0.396 nan 8.250 nan 0.000 0.503 130 E N 0.730 120.927 120.200 -0.006 0.000 2.418 130 E HA -0.082 4.130 4.350 -0.230 0.000 0.261 130 E C -0.637 176.009 176.600 0.077 0.000 1.070 130 E CA 0.398 56.824 56.400 0.043 0.000 0.931 130 E CB 0.213 29.937 29.700 0.040 0.000 0.954 130 E HN 0.616 nan 8.360 nan 0.000 0.439 131 E N -0.940 119.359 120.200 0.165 0.000 2.586 131 E HA -0.207 4.005 4.350 -0.230 0.000 0.259 131 E C -0.076 176.762 176.600 0.395 0.000 1.107 131 E CA 0.353 56.946 56.400 0.321 0.000 0.754 131 E CB -1.433 28.437 29.700 0.282 0.000 1.335 131 E HN 0.599 nan 8.360 nan 0.000 0.411 132 G N 0.063 109.048 108.800 0.309 0.000 2.441 132 G HA2 0.633 4.455 3.960 -0.230 0.000 0.334 132 G HA3 0.633 4.455 3.960 -0.230 0.000 0.334 132 G C -0.683 174.447 174.900 0.384 0.000 1.161 132 G CA -0.438 44.852 45.100 0.318 0.000 0.935 132 G HN 0.202 nan 8.290 nan 0.000 0.488 133 Y N -2.125 118.341 120.300 0.277 0.000 2.644 133 Y HA 0.808 5.223 4.550 -0.225 0.000 0.338 133 Y C -0.431 175.563 175.900 0.157 0.000 1.119 133 Y CA -1.838 56.380 58.100 0.197 0.000 1.060 133 Y CB 1.728 40.306 38.460 0.196 0.000 1.294 133 Y HN 0.845 nan 8.280 nan 0.000 0.472 134 A N 2.745 125.736 122.820 0.285 0.000 2.457 134 A HA 0.610 4.792 4.320 -0.230 0.000 0.283 134 A C -2.074 175.641 177.584 0.219 0.000 1.166 134 A CA -0.523 51.618 52.037 0.174 0.000 0.740 134 A CB 0.695 19.756 19.000 0.101 0.000 1.181 134 A HN 0.937 nan 8.150 nan 0.000 0.446 135 L N 3.350 124.720 121.223 0.246 0.000 2.317 135 L HA 0.839 5.041 4.340 -0.230 0.000 0.281 135 L C -1.324 175.627 176.870 0.135 0.000 1.024 135 L CA -0.648 54.307 54.840 0.191 0.000 0.810 135 L CB 1.702 43.896 42.059 0.224 0.000 1.240 135 L HN 0.412 nan 8.230 nan 0.000 0.427 136 V N 3.403 123.384 119.914 0.112 0.000 2.567 136 V HA 0.381 4.363 4.120 -0.230 0.000 0.298 136 V C -0.607 175.560 176.094 0.121 0.000 1.047 136 V CA -0.515 61.847 62.300 0.102 0.000 0.880 136 V CB 1.923 33.793 31.823 0.078 0.000 1.009 136 V HN 0.828 nan 8.190 nan 0.000 0.429 137 S N 3.632 119.424 115.700 0.154 0.000 2.530 137 S HA 0.710 5.042 4.470 -0.230 0.000 0.322 137 S C -0.684 174.071 174.600 0.258 0.000 1.085 137 S CA -0.667 57.678 58.200 0.243 0.000 1.096 137 S CB 1.485 64.851 63.200 0.277 0.000 0.988 137 S HN 0.720 nan 8.310 nan 0.000 0.466 138 N N 2.039 120.864 118.700 0.209 0.000 2.578 138 N HA 0.163 4.765 4.740 -0.230 0.000 0.282 138 N C -1.510 173.972 175.510 -0.046 0.000 1.119 138 N CA -0.023 53.097 53.050 0.117 0.000 0.948 138 N CB 1.666 40.195 38.487 0.069 0.000 1.546 138 N HN 0.839 nan 8.380 nan 0.000 0.525 139 D N 3.195 123.517 120.400 -0.130 0.000 2.705 139 D HA -0.133 4.369 4.640 -0.230 0.000 0.240 139 D C 0.774 176.773 176.300 -0.502 0.000 1.137 139 D CA 2.260 56.098 54.000 -0.269 0.000 0.677 139 D CB -1.230 39.499 40.800 -0.117 0.000 1.049 139 D HN 1.064 nan 8.370 nan 0.000 0.427 140 G N 0.517 108.606 108.800 -1.186 0.000 2.160 140 G HA2 -0.329 3.493 3.960 -0.230 0.000 0.251 140 G HA3 -0.329 3.493 3.960 -0.230 0.000 0.251 140 G C 0.138 174.777 174.900 -0.434 0.000 1.008 140 G CA 0.620 45.113 45.100 -1.012 0.000 0.724 140 G HN 0.595 nan 8.290 nan 0.000 0.514 141 K N -0.251 119.974 120.400 -0.291 0.000 2.578 141 K HA 0.579 4.761 4.320 -0.230 0.000 0.250 141 K C -0.432 176.201 176.600 0.055 0.000 0.955 141 K CA -0.709 55.536 56.287 -0.070 0.000 0.825 141 K CB 1.846 34.307 32.500 -0.065 0.000 1.151 141 K HN 0.179 nan 8.250 nan 0.000 0.432 142 I N 2.773 123.397 120.570 0.089 0.000 2.390 142 I HA 0.374 4.406 4.170 -0.230 0.000 0.283 142 I C -0.313 175.812 176.117 0.013 0.000 1.016 142 I CA -0.713 60.651 61.300 0.106 0.000 1.151 142 I CB 1.662 39.750 38.000 0.147 0.000 1.293 142 I HN 0.589 nan 8.210 nan 0.000 0.458 143 A N 8.086 130.924 122.820 0.029 0.000 2.317 143 A HA 0.872 5.054 4.320 -0.230 0.000 0.327 143 A C -0.561 177.035 177.584 0.020 0.000 1.178 143 A CA -0.436 51.607 52.037 0.010 0.000 0.817 143 A CB 0.797 19.811 19.000 0.023 0.000 1.189 143 A HN 0.696 nan 8.150 nan 0.000 0.489 144 I N 1.601 122.171 120.570 0.000 0.000 2.478 144 I HA 0.366 4.398 4.170 -0.230 0.000 0.287 144 I C -0.391 175.752 176.117 0.044 0.000 1.042 144 I CA -0.137 61.178 61.300 0.026 0.000 1.067 144 I CB 2.020 39.999 38.000 -0.036 0.000 1.233 144 I HN 0.803 nan 8.210 nan 0.000 0.431 145 E N 4.773 125.028 120.200 0.092 0.000 2.216 145 E HA 0.599 4.811 4.350 -0.230 0.000 0.260 145 E C -0.717 175.967 176.600 0.139 0.000 0.880 145 E CA -0.520 55.933 56.400 0.090 0.000 0.765 145 E CB 2.023 31.766 29.700 0.072 0.000 1.174 145 E HN 0.782 nan 8.360 nan 0.000 0.417 146 G N 2.844 111.721 108.800 0.129 0.000 2.434 146 G HA2 0.140 3.961 3.960 -0.230 0.000 0.330 146 G HA3 0.140 3.961 3.960 -0.230 0.000 0.330 146 G C 0.427 175.400 174.900 0.122 0.000 1.155 146 G CA -0.386 44.814 45.100 0.168 0.000 0.917 146 G HN 0.512 nan 8.290 nan 0.000 0.493 147 K N -0.403 120.075 120.400 0.131 0.000 2.031 147 K HA 0.037 4.219 4.320 -0.230 0.000 0.205 147 K C 0.797 177.443 176.600 0.076 0.000 1.049 147 K CA 2.019 58.359 56.287 0.088 0.000 0.939 147 K CB -0.070 32.479 32.500 0.081 0.000 0.717 147 K HN 0.777 nan 8.250 nan 0.000 0.438 148 D N -4.317 116.138 120.400 0.092 0.000 2.837 148 D HA 0.323 4.825 4.640 -0.230 0.000 0.294 148 D C 1.185 177.528 176.300 0.071 0.000 1.158 148 D CA -0.415 53.629 54.000 0.072 0.000 1.073 148 D CB 0.165 41.005 40.800 0.068 0.000 1.419 148 D HN -0.075 nan 8.370 nan 0.000 0.584 149 G N -0.754 108.076 108.800 0.050 0.000 2.446 149 G HA2 -0.267 3.555 3.960 -0.230 0.000 0.217 149 G HA3 -0.267 3.555 3.960 -0.230 0.000 0.217 149 G C 0.864 175.776 174.900 0.019 0.000 1.168 149 G CA 1.254 46.373 45.100 0.031 0.000 0.771 149 G HN 0.527 nan 8.290 nan 0.000 0.551 150 D N 0.415 120.831 120.400 0.026 0.000 2.117 150 D HA -0.006 4.496 4.640 -0.230 0.000 0.198 150 D C 2.644 178.952 176.300 0.013 0.000 0.982 150 D CA 1.249 55.240 54.000 -0.015 0.000 0.828 150 D CB -0.750 40.114 40.800 0.106 0.000 0.967 150 D HN 0.297 nan 8.370 nan 0.000 0.464 151 G N -0.107 108.809 108.800 0.193 0.000 2.418 151 G HA2 -0.252 3.570 3.960 -0.230 0.000 0.217 151 G HA3 -0.252 3.570 3.960 -0.230 0.000 0.217 151 G C 1.660 176.724 174.900 0.273 0.000 1.158 151 G CA 1.471 46.783 45.100 0.352 0.000 0.771 151 G HN 0.245 nan 8.290 nan 0.000 0.545 152 T N 0.706 115.345 114.554 0.143 0.000 2.867 152 T HA -0.099 4.113 4.350 -0.230 0.000 0.268 152 T C 1.906 176.607 174.700 0.001 0.000 1.057 152 T CA 0.951 63.100 62.100 0.082 0.000 1.136 152 T CB -0.256 68.647 68.868 0.058 0.000 0.874 152 T HN 0.262 nan 8.240 nan 0.000 0.466 153 F N 1.350 121.181 119.950 -0.198 0.000 2.126 153 F HA -0.152 4.239 4.527 -0.227 0.000 0.299 153 F C 1.740 177.362 175.800 -0.297 0.000 1.096 153 F CA 1.116 58.940 58.000 -0.292 0.000 1.255 153 F CB -0.401 38.341 39.000 -0.430 0.000 0.997 153 F HN 0.150 nan 8.300 nan 0.000 0.479 154 Y N 0.124 120.399 120.300 -0.042 0.000 2.439 154 Y HA 0.106 4.517 4.550 -0.232 0.000 0.292 154 Y C 2.617 178.046 175.900 -0.786 0.000 1.130 154 Y CA 0.570 58.490 58.100 -0.301 0.000 1.254 154 Y CB -1.446 37.040 38.460 0.042 0.000 1.000 154 Y HN 0.114 nan 8.280 nan 0.000 0.554 155 G N -0.532 107.932 108.800 -0.560 0.000 2.443 155 G HA2 -0.144 3.678 3.960 -0.230 0.000 0.219 155 G HA3 -0.144 3.678 3.960 -0.230 0.000 0.219 155 G C 1.682 176.334 174.900 -0.415 0.000 1.131 155 G CA 1.093 45.798 45.100 -0.658 0.000 0.775 155 G HN 0.304 nan 8.290 nan 0.000 0.547 156 V N 0.522 120.204 119.914 -0.387 0.000 2.453 156 V HA -0.119 3.863 4.120 -0.230 0.000 0.247 156 V C 2.803 178.685 176.094 -0.354 0.000 1.048 156 V CA 1.460 63.563 62.300 -0.328 0.000 1.049 156 V CB -0.188 31.409 31.823 -0.377 0.000 0.672 156 V HN 0.283 nan 8.190 nan 0.000 0.457 157 Q N -0.227 119.284 119.800 -0.481 0.000 2.311 157 Q HA -0.074 4.127 4.340 -0.230 0.000 0.203 157 Q C 2.282 178.065 176.000 -0.361 0.000 0.954 157 Q CA 1.512 57.053 55.803 -0.437 0.000 0.885 157 Q CB -0.725 27.759 28.738 -0.423 0.000 0.963 157 Q HN 0.618 nan 8.270 nan 0.000 0.471 158 T N 1.114 115.456 114.554 -0.354 0.000 2.857 158 T HA -0.079 4.133 4.350 -0.230 0.000 0.266 158 T C 1.442 176.047 174.700 -0.159 0.000 1.048 158 T CA 0.762 62.715 62.100 -0.245 0.000 1.139 158 T CB -0.348 68.390 68.868 -0.217 0.000 0.874 158 T HN 0.266 nan 8.240 nan 0.000 0.455 159 F N 2.360 122.141 119.950 -0.281 0.000 2.171 159 F HA -0.056 4.332 4.527 -0.233 0.000 0.300 159 F C 1.982 177.593 175.800 -0.316 0.000 1.090 159 F CA 1.215 59.076 58.000 -0.232 0.000 1.293 159 F CB -0.203 38.675 39.000 -0.203 0.000 1.013 159 F HN -0.009 nan 8.300 nan 0.000 0.486 160 K N -0.258 119.767 120.400 -0.625 0.000 2.155 160 K HA -0.133 4.049 4.320 -0.230 0.000 0.203 160 K C 2.042 178.335 176.600 -0.510 0.000 1.052 160 K CA 1.479 57.175 56.287 -0.985 0.000 0.948 160 K CB -0.215 31.660 32.500 -1.042 0.000 0.728 160 K HN 0.445 nan 8.250 nan 0.000 0.448 161 Q N 0.071 119.661 119.800 -0.349 0.000 2.212 161 Q HA -0.029 4.172 4.340 -0.230 0.000 0.199 161 Q C 1.753 177.643 176.000 -0.183 0.000 0.950 161 Q CA 0.608 56.283 55.803 -0.215 0.000 0.863 161 Q CB 0.154 28.787 28.738 -0.175 0.000 0.944 161 Q HN 0.115 nan 8.270 nan 0.000 0.465 162 L N -0.030 121.063 121.223 -0.217 0.000 2.109 162 L HA -0.049 4.153 4.340 -0.230 0.000 0.207 162 L C 0.681 177.427 176.870 -0.208 0.000 1.086 162 L CA 0.958 55.690 54.840 -0.180 0.000 0.760 162 L CB -0.155 41.816 42.059 -0.147 0.000 0.910 162 L HN -0.058 nan 8.230 nan 0.000 0.437 163 V N 1.816 121.553 119.914 -0.296 0.000 2.446 163 V HA 0.077 4.058 4.120 -0.230 0.000 0.276 163 V C 0.264 176.290 176.094 -0.113 0.000 1.030 163 V CA -0.117 62.044 62.300 -0.233 0.000 1.033 163 V CB 0.192 31.852 31.823 -0.271 0.000 0.993 163 V HN 0.145 nan 8.190 nan 0.000 0.477 164 K N 4.555 124.894 120.400 -0.102 0.000 2.575 164 K HA 0.363 4.545 4.320 -0.230 0.000 0.236 164 K C 0.136 176.697 176.600 -0.066 0.000 0.976 164 K CA -0.460 55.786 56.287 -0.069 0.000 0.985 164 K CB 1.199 33.659 32.500 -0.066 0.000 1.198 164 K HN 0.779 nan 8.250 nan 0.000 0.464 165 E N 0.874 121.038 120.200 -0.061 0.000 2.320 165 E HA -0.195 4.017 4.350 -0.230 0.000 0.234 165 E C -0.934 175.629 176.600 -0.062 0.000 1.183 165 E CA 0.630 56.994 56.400 -0.060 0.000 0.713 165 E CB -1.542 28.130 29.700 -0.047 0.000 1.226 165 E HN 0.717 nan 8.360 nan 0.000 0.382 166 S N -0.942 114.714 115.700 -0.073 0.000 3.682 166 S HA -0.206 4.126 4.470 -0.230 0.000 0.354 166 S C -0.309 174.251 174.600 -0.067 0.000 1.034 166 S CA 0.743 58.907 58.200 -0.060 0.000 1.084 166 S CB -0.679 62.500 63.200 -0.035 0.000 0.903 166 S HN 0.495 nan 8.310 nan 0.000 0.470 167 N N 1.083 119.720 118.700 -0.105 0.000 2.690 167 N HA 0.372 4.974 4.740 -0.230 0.000 0.255 167 N C -0.800 174.588 175.510 -0.203 0.000 1.195 167 N CA -0.285 52.682 53.050 -0.138 0.000 0.790 167 N CB 0.997 39.429 38.487 -0.092 0.000 1.216 167 N HN 0.596 nan 8.380 nan 0.000 0.528 168 I N 2.838 123.215 120.570 -0.323 0.000 2.365 168 I HA 0.393 4.425 4.170 -0.230 0.000 0.291 168 I C -2.038 173.835 176.117 -0.407 0.000 1.004 168 I CA -1.805 59.286 61.300 -0.349 0.000 1.311 168 I CB 1.409 39.209 38.000 -0.334 0.000 1.401 168 I HN 0.169 nan 8.210 nan 0.000 0.491 169 P HA 0.139 nan 4.420 nan 0.000 0.274 169 P C -1.379 175.866 177.300 -0.092 0.000 1.246 169 P CA -0.277 62.736 63.100 -0.146 0.000 0.795 169 P CB 0.518 32.172 31.700 -0.078 0.000 1.006 170 E N 0.225 120.425 120.200 -0.000 0.000 2.014 170 E HA 0.363 4.575 4.350 -0.230 0.000 0.275 170 E C -0.389 176.253 176.600 0.071 0.000 0.997 170 E CA -0.595 55.862 56.400 0.095 0.000 0.804 170 E CB 0.636 30.433 29.700 0.162 0.000 1.090 170 E HN 0.251 nan 8.360 nan 0.000 0.401 171 V N 0.770 120.727 119.914 0.072 0.000 2.971 171 V HA 0.492 4.474 4.120 -0.230 0.000 0.309 171 V C -0.742 175.396 176.094 0.073 0.000 1.130 171 V CA -1.296 61.040 62.300 0.059 0.000 0.964 171 V CB 2.112 33.959 31.823 0.040 0.000 1.029 171 V HN 0.597 nan 8.190 nan 0.000 0.427 172 N N 3.206 121.943 118.700 0.062 0.000 2.421 172 N HA 0.691 5.293 4.740 -0.230 0.000 0.285 172 N C -1.138 174.408 175.510 0.061 0.000 1.027 172 N CA -0.607 52.482 53.050 0.065 0.000 0.918 172 N CB 2.672 41.192 38.487 0.054 0.000 1.152 172 N HN 0.760 nan 8.380 nan 0.000 0.485 173 I N 0.980 121.594 120.570 0.074 0.000 2.533 173 I HA 0.258 4.290 4.170 -0.230 0.000 0.290 173 I C -0.507 175.634 176.117 0.040 0.000 1.056 173 I CA -0.762 60.577 61.300 0.064 0.000 1.057 173 I CB 2.381 40.448 38.000 0.113 0.000 1.240 173 I HN 0.612 nan 8.210 nan 0.000 0.423 174 T N 0.383 114.938 114.554 0.002 0.000 2.881 174 T HA 0.617 4.829 4.350 -0.230 0.000 0.291 174 T C -1.094 173.574 174.700 -0.053 0.000 0.990 174 T CA -0.688 61.404 62.100 -0.013 0.000 0.976 174 T CB 2.074 70.965 68.868 0.038 0.000 0.970 174 T HN 0.465 nan 8.240 nan 0.000 0.438 175 D N 1.789 122.080 120.400 -0.181 0.000 2.661 175 D HA 0.668 5.170 4.640 -0.230 0.000 0.228 175 D C -1.477 174.820 176.300 -0.005 0.000 1.183 175 D CA -0.388 53.473 54.000 -0.232 0.000 0.844 175 D CB 1.893 42.296 40.800 -0.662 0.000 1.555 175 D HN 0.748 nan 8.370 nan 0.000 0.453 176 Y N -0.918 119.350 120.300 -0.053 0.000 2.565 176 Y HA 0.614 5.026 4.550 -0.230 0.000 0.330 176 Y C -3.059 172.477 175.900 -0.606 0.000 1.150 176 Y CA -2.057 55.925 58.100 -0.196 0.000 1.055 176 Y CB 1.095 39.452 38.460 -0.172 0.000 1.337 176 Y HN 0.072 nan 8.280 nan 0.000 0.457 177 P HA 0.225 nan 4.420 nan 0.000 0.277 177 P C -0.070 176.847 177.300 -0.638 0.000 1.240 177 P CA -0.170 62.014 63.100 -1.526 0.000 0.798 177 P CB 2.112 32.867 31.700 -1.575 0.000 0.979 178 T N -0.223 114.006 114.554 -0.541 0.000 3.009 178 T HA 0.092 4.304 4.350 -0.230 0.000 0.258 178 T C 0.837 175.406 174.700 -0.219 0.000 1.063 178 T CA 0.626 62.553 62.100 -0.289 0.000 1.139 178 T CB 0.075 68.777 68.868 -0.278 0.000 0.890 178 T HN 0.188 nan 8.240 nan 0.000 0.471 179 V N 1.339 121.101 119.914 -0.254 0.000 2.513 179 V HA 0.411 4.393 4.120 -0.230 0.000 0.299 179 V C 1.179 177.178 176.094 -0.158 0.000 1.035 179 V CA -0.448 61.763 62.300 -0.148 0.000 0.889 179 V CB 1.804 33.564 31.823 -0.106 0.000 0.988 179 V HN 0.203 nan 8.190 nan 0.000 0.440 180 S N 3.201 118.852 115.700 -0.082 0.000 2.348 180 S HA 0.110 4.442 4.470 -0.230 0.000 0.219 180 S C 0.984 175.534 174.600 -0.083 0.000 1.033 180 S CA 0.915 59.075 58.200 -0.067 0.000 0.974 180 S CB -0.003 63.199 63.200 0.002 0.000 0.868 180 S HN 0.999 nan 8.310 nan 0.000 0.459 181 A N 2.133 124.868 122.820 -0.141 0.000 2.322 181 A HA 0.661 4.843 4.320 -0.230 0.000 0.327 181 A C -0.390 176.966 177.584 -0.381 0.000 1.394 181 A CA -0.707 51.120 52.037 -0.351 0.000 0.921 181 A CB 0.150 18.700 19.000 -0.750 0.000 1.153 181 A HN 0.545 nan 8.150 nan 0.000 0.523 182 R N 1.664 122.055 120.500 -0.182 0.000 2.514 182 R HA 0.798 4.999 4.340 -0.230 0.000 0.301 182 R C 0.448 176.713 176.300 -0.059 0.000 0.962 182 R CA -0.066 56.001 56.100 -0.054 0.000 0.882 182 R CB 2.084 32.390 30.300 0.010 0.000 1.143 182 R HN 0.846 nan 8.270 nan 0.000 0.452 183 G N 1.676 110.470 108.800 -0.010 0.000 2.393 183 G HA2 0.392 4.214 3.960 -0.230 0.000 0.264 183 G HA3 0.392 4.214 3.960 -0.230 0.000 0.264 183 G C -1.828 173.034 174.900 -0.064 0.000 1.221 183 G CA -0.524 44.519 45.100 -0.095 0.000 0.912 183 G HN 0.300 nan 8.290 nan 0.000 0.483 184 I N -0.255 120.219 120.570 -0.161 0.000 2.689 184 I HA 0.633 4.665 4.170 -0.230 0.000 0.299 184 I C -0.536 175.442 176.117 -0.232 0.000 1.059 184 I CA -1.059 60.182 61.300 -0.099 0.000 1.055 184 I CB 2.191 40.214 38.000 0.038 0.000 1.243 184 I HN 0.439 nan 8.210 nan 0.000 0.425 185 V N 5.823 125.543 119.914 -0.322 0.000 2.305 185 V HA 0.384 4.366 4.120 -0.230 0.000 0.275 185 V C -0.090 175.695 176.094 -0.516 0.000 1.020 185 V CA -0.398 61.569 62.300 -0.555 0.000 0.811 185 V CB 1.054 32.302 31.823 -0.958 0.000 1.031 185 V HN 0.829 nan 8.190 nan 0.000 0.439 186 E N 5.141 125.012 120.200 -0.549 0.000 1.881 186 E HA 0.398 4.609 4.350 -0.230 0.000 0.264 186 E C 0.450 176.659 176.600 -0.652 0.000 1.243 186 E CA 0.382 56.416 56.400 -0.611 0.000 0.965 186 E CB 0.141 29.403 29.700 -0.731 0.000 1.055 186 E HN 0.886 nan 8.360 nan 0.000 0.412 187 G N 5.382 113.920 108.800 -0.437 0.000 4.184 187 G HA2 0.299 4.121 3.960 -0.230 0.000 0.282 187 G HA3 0.299 4.121 3.960 -0.230 0.000 0.282 187 G C -0.997 173.846 174.900 -0.096 0.000 1.223 187 G CA -0.585 44.373 45.100 -0.237 0.000 0.773 187 G HN 0.393 nan 8.290 nan 0.000 0.519 188 F N -0.937 118.890 119.950 -0.204 0.000 2.532 188 F HA 0.802 5.190 4.527 -0.231 0.000 0.321 188 F C -0.537 175.170 175.800 -0.154 0.000 1.089 188 F CA -2.604 55.329 58.000 -0.112 0.000 0.926 188 F CB 0.910 39.839 39.000 -0.119 0.000 1.168 188 F HN 0.100 nan 8.300 nan 0.000 0.459 189 Y N 1.742 122.143 120.300 0.169 0.000 2.357 189 Y HA 0.517 4.929 4.550 -0.230 0.000 0.340 189 Y C 1.182 177.177 175.900 0.158 0.000 1.260 189 Y CA 0.978 59.141 58.100 0.105 0.000 1.425 189 Y CB 0.673 39.193 38.460 0.100 0.000 1.326 189 Y HN 1.156 nan 8.280 nan 0.000 0.580 190 G N -0.074 108.884 108.800 0.262 0.000 2.451 190 G HA2 -0.170 3.652 3.960 -0.230 0.000 0.208 190 G HA3 -0.170 3.652 3.960 -0.230 0.000 0.208 190 G C -0.497 174.486 174.900 0.138 0.000 1.248 190 G CA -0.670 44.539 45.100 0.182 0.000 0.989 190 G HN 1.027 nan 8.290 nan 0.000 0.559 191 T N 1.309 115.937 114.554 0.125 0.000 2.799 191 T HA 0.559 4.771 4.350 -0.230 0.000 0.296 191 T C -1.803 173.013 174.700 0.193 0.000 0.947 191 T CA -0.281 61.888 62.100 0.115 0.000 1.141 191 T CB 1.142 70.061 68.868 0.085 0.000 0.891 191 T HN 0.548 nan 8.240 nan 0.000 0.533 192 P HA 0.223 nan 4.420 nan 0.000 0.275 192 P C -0.099 177.390 177.300 0.314 0.000 1.266 192 P CA -0.873 62.292 63.100 0.109 0.000 0.793 192 P CB 0.416 32.088 31.700 -0.047 0.000 1.074 193 W N 0.498 121.923 121.300 0.209 0.000 2.137 193 W HA 0.164 4.689 4.660 -0.226 0.000 0.344 193 W C 0.955 177.551 176.519 0.129 0.000 1.286 193 W CA -0.205 57.249 57.345 0.181 0.000 1.240 193 W CB -0.748 28.845 29.460 0.221 0.000 1.141 193 W HN 0.314 nan 8.180 nan 0.000 0.579 194 T N -1.588 113.155 114.554 0.315 0.000 2.816 194 T HA 0.055 4.267 4.350 -0.230 0.000 0.282 194 T C 0.932 175.768 174.700 0.225 0.000 0.993 194 T CA -0.037 62.196 62.100 0.221 0.000 0.994 194 T CB 1.071 70.022 68.868 0.138 0.000 1.025 194 T HN 0.496 nan 8.240 nan 0.000 0.529 195 H N 0.299 119.445 119.070 0.127 0.000 2.389 195 H HA -0.024 4.395 4.556 -0.229 0.000 0.299 195 H C 2.152 177.515 175.328 0.059 0.000 1.081 195 H CA 1.826 57.942 56.048 0.114 0.000 1.345 195 H CB 0.009 29.828 29.762 0.094 0.000 1.393 195 H HN 0.484 nan 8.280 nan 0.000 0.520 196 Q N 0.159 119.968 119.800 0.016 0.000 2.230 196 Q HA -0.092 4.110 4.340 -0.230 0.000 0.202 196 Q C 1.528 177.446 176.000 -0.138 0.000 0.963 196 Q CA 0.987 56.745 55.803 -0.075 0.000 0.866 196 Q CB 0.088 28.821 28.738 -0.008 0.000 0.931 196 Q HN 0.637 nan 8.270 nan 0.000 0.452 197 D N 0.594 120.917 120.400 -0.128 0.000 2.117 197 D HA -0.090 4.412 4.640 -0.230 0.000 0.198 197 D C 1.999 178.113 176.300 -0.309 0.000 0.982 197 D CA 0.796 54.635 54.000 -0.268 0.000 0.828 197 D CB 0.057 40.654 40.800 -0.338 0.000 0.967 197 D HN 0.183 nan 8.370 nan 0.000 0.464 198 R N -0.053 120.366 120.500 -0.134 0.000 2.066 198 R HA -0.070 4.132 4.340 -0.230 0.000 0.232 198 R C 2.294 178.479 176.300 -0.191 0.000 1.131 198 R CA 0.608 56.680 56.100 -0.046 0.000 0.955 198 R CB -0.311 30.074 30.300 0.142 0.000 0.851 198 R HN 0.083 nan 8.270 nan 0.000 0.432 199 L N 0.919 121.985 121.223 -0.263 0.000 2.083 199 L HA -0.192 4.010 4.340 -0.230 0.000 0.209 199 L C 1.918 178.669 176.870 -0.198 0.000 1.083 199 L CA 1.807 56.501 54.840 -0.245 0.000 0.752 199 L CB -0.688 41.204 42.059 -0.278 0.000 0.899 199 L HN 0.156 nan 8.230 nan 0.000 0.433 200 D N -1.464 118.809 120.400 -0.212 0.000 2.144 200 D HA -0.185 4.317 4.640 -0.230 0.000 0.199 200 D C 2.105 178.257 176.300 -0.247 0.000 0.984 200 D CA 0.943 54.823 54.000 -0.200 0.000 0.834 200 D CB 0.157 40.826 40.800 -0.218 0.000 0.955 200 D HN 0.217 nan 8.370 nan 0.000 0.465 201 Q N -0.117 119.471 119.800 -0.354 0.000 2.119 201 Q HA -0.059 4.143 4.340 -0.230 0.000 0.201 201 Q C 2.582 178.103 176.000 -0.798 0.000 0.972 201 Q CA 0.556 56.031 55.803 -0.547 0.000 0.847 201 Q CB -0.127 28.326 28.738 -0.474 0.000 0.903 201 Q HN 0.487 nan 8.270 nan 0.000 0.433 202 I N 0.825 121.145 120.570 -0.417 0.000 2.163 202 I HA -0.311 3.720 4.170 -0.230 0.000 0.243 202 I C 2.575 178.643 176.117 -0.082 0.000 1.085 202 I CA 1.319 62.513 61.300 -0.176 0.000 1.347 202 I CB -0.263 37.678 38.000 -0.100 0.000 1.044 202 I HN 0.162 nan 8.210 nan 0.000 0.408 203 K N 0.497 120.849 120.400 -0.079 0.000 2.148 203 K HA -0.222 3.960 4.320 -0.230 0.000 0.204 203 K C 2.206 178.826 176.600 0.033 0.000 1.050 203 K CA 1.399 57.691 56.287 0.008 0.000 0.942 203 K CB -0.141 32.361 32.500 0.004 0.000 0.724 203 K HN 0.165 nan 8.250 nan 0.000 0.446 204 F N 0.651 120.483 119.950 -0.197 0.000 2.234 204 F HA -0.194 4.193 4.527 -0.235 0.000 0.299 204 F C 1.356 177.148 175.800 -0.014 0.000 1.087 204 F CA 1.247 59.156 58.000 -0.151 0.000 1.340 204 F CB -0.121 38.732 39.000 -0.245 0.000 1.031 204 F HN 0.027 nan 8.300 nan 0.000 0.500 205 Y N 0.264 120.623 120.300 0.099 0.000 2.163 205 Y HA 0.015 4.429 4.550 -0.228 0.000 0.288 205 Y C 2.782 178.709 175.900 0.045 0.000 1.136 205 Y CA 0.815 58.949 58.100 0.056 0.000 1.147 205 Y CB -1.548 37.014 38.460 0.171 0.000 0.987 205 Y HN 0.069 nan 8.280 nan 0.000 0.509 206 G N -0.166 108.806 108.800 0.287 0.000 2.418 206 G HA2 -0.234 3.588 3.960 -0.230 0.000 0.217 206 G HA3 -0.234 3.588 3.960 -0.230 0.000 0.217 206 G C 1.510 176.594 174.900 0.306 0.000 1.158 206 G CA 1.026 46.379 45.100 0.421 0.000 0.771 206 G HN 0.436 nan 8.290 nan 0.000 0.545 207 E N 0.599 120.832 120.200 0.056 0.000 2.110 207 E HA -0.067 4.144 4.350 -0.230 0.000 0.193 207 E C 1.381 177.859 176.600 -0.204 0.000 0.988 207 E CA 0.710 57.041 56.400 -0.116 0.000 0.804 207 E CB -0.022 29.590 29.700 -0.148 0.000 0.745 207 E HN 0.324 nan 8.360 nan 0.000 0.458 208 N N 0.932 119.470 118.700 -0.270 0.000 2.322 208 N HA 0.034 4.635 4.740 -0.230 0.000 0.216 208 N C -0.819 174.541 175.510 -0.249 0.000 1.144 208 N CA 0.179 53.029 53.050 -0.333 0.000 0.830 208 N CB 0.528 38.719 38.487 -0.493 0.000 1.034 208 N HN 0.065 nan 8.380 nan 0.000 0.484 209 K N 0.589 120.912 120.400 -0.128 0.000 3.619 209 K HA -0.153 4.028 4.320 -0.230 0.000 0.275 209 K C -0.963 175.620 176.600 -0.028 0.000 0.993 209 K CA 0.506 56.684 56.287 -0.183 0.000 0.787 209 K CB -1.448 30.569 32.500 -0.805 0.000 1.431 209 K HN 0.269 nan 8.250 nan 0.000 0.451 210 L N 1.300 122.626 121.223 0.172 0.000 2.408 210 L HA 0.352 4.554 4.340 -0.230 0.000 0.268 210 L C 0.837 177.840 176.870 0.222 0.000 0.986 210 L CA -0.848 54.088 54.840 0.160 0.000 0.820 210 L CB 1.534 43.668 42.059 0.126 0.000 1.303 210 L HN 0.327 nan 8.230 nan 0.000 0.411 211 N N -0.349 118.442 118.700 0.152 0.000 2.238 211 N HA 0.111 4.713 4.740 -0.230 0.000 0.235 211 N C -0.623 174.931 175.510 0.074 0.000 1.209 211 N CA -0.286 52.863 53.050 0.164 0.000 0.879 211 N CB 1.105 39.720 38.487 0.215 0.000 1.136 211 N HN 0.456 nan 8.380 nan 0.000 0.517 212 T N 0.366 114.926 114.554 0.011 0.000 2.912 212 T HA 0.392 4.604 4.350 -0.230 0.000 0.299 212 T C -2.058 172.647 174.700 0.008 0.000 1.052 212 T CA -0.498 61.593 62.100 -0.014 0.000 0.996 212 T CB 2.011 70.790 68.868 -0.148 0.000 1.070 212 T HN 0.202 nan 8.240 nan 0.000 0.465 213 Y N 2.462 122.707 120.300 -0.091 0.000 2.323 213 Y HA 0.604 5.017 4.550 -0.228 0.000 0.322 213 Y C -1.804 173.977 175.900 -0.197 0.000 1.133 213 Y CA -0.985 57.056 58.100 -0.098 0.000 1.093 213 Y CB 0.833 39.351 38.460 0.098 0.000 1.203 213 Y HN 0.629 nan 8.280 nan 0.000 0.427 214 I N 7.259 127.374 120.570 -0.757 0.000 2.336 214 I HA 0.209 4.241 4.170 -0.230 0.000 0.292 214 I C -0.654 174.882 176.117 -0.968 0.000 0.991 214 I CA -0.900 59.964 61.300 -0.727 0.000 1.227 214 I CB 0.979 38.691 38.000 -0.480 0.000 1.366 214 I HN 0.623 nan 8.210 nan 0.000 0.466 215 Y N 6.254 126.011 120.300 -0.906 0.000 2.314 215 Y HA 0.549 4.960 4.550 -0.231 0.000 0.334 215 Y C 0.579 176.033 175.900 -0.744 0.000 1.266 215 Y CA 0.521 58.216 58.100 -0.675 0.000 1.391 215 Y CB 0.912 39.118 38.460 -0.423 0.000 1.306 215 Y HN 0.806 nan 8.280 nan 0.000 0.558 216 A N 3.235 125.304 122.820 -1.253 0.000 2.435 216 A HA -0.027 4.155 4.320 -0.230 0.000 0.686 216 A C -2.917 174.134 177.584 -0.889 0.000 0.138 216 A CA -0.709 50.604 52.037 -1.206 0.000 0.024 216 A CB -2.147 16.069 19.000 -1.306 0.000 3.974 216 A HN 0.471 nan 8.150 nan 0.000 0.548 217 P HA 0.563 nan 4.420 nan 0.000 0.302 217 P C 0.334 177.178 177.300 -0.760 0.000 1.307 217 P CA -0.147 62.533 63.100 -0.699 0.000 0.754 217 P CB 0.623 32.055 31.700 -0.446 0.000 1.298 218 K N -0.329 119.757 120.400 -0.524 0.000 3.224 218 K HA 0.233 4.415 4.320 -0.230 0.000 0.302 218 K C -0.298 176.238 176.600 -0.105 0.000 0.977 218 K CA -0.026 56.084 56.287 -0.295 0.000 1.343 218 K CB -0.981 31.367 32.500 -0.253 0.000 3.431 218 K HN 0.150 nan 8.250 nan 0.000 1.096 219 D N 2.608 122.983 120.400 -0.041 0.000 2.597 219 D HA 0.060 4.561 4.640 -0.230 0.000 0.228 219 D C -0.565 175.769 176.300 0.056 0.000 1.120 219 D CA 0.404 54.423 54.000 0.033 0.000 1.083 219 D CB -0.600 40.218 40.800 0.030 0.000 1.116 219 D HN 0.187 nan 8.370 nan 0.000 0.487 220 D N 0.629 121.091 120.400 0.103 0.000 2.372 220 D HA 0.047 4.549 4.640 -0.230 0.000 0.243 220 D C -0.981 175.374 176.300 0.091 0.000 1.121 220 D CA -1.508 52.587 54.000 0.159 0.000 0.898 220 D CB 1.192 42.169 40.800 0.296 0.000 1.202 220 D HN 0.045 nan 8.370 nan 0.000 0.428 221 P HA -0.118 nan 4.420 nan 0.000 0.221 221 P C -0.739 176.241 177.300 -0.533 0.000 1.145 221 P CA 1.137 64.038 63.100 -0.331 0.000 0.795 221 P CB 0.030 31.427 31.700 -0.505 0.000 0.775 222 Y N -0.813 119.619 120.300 0.219 0.000 2.373 222 Y HA 0.409 4.820 4.550 -0.231 0.000 0.327 222 Y C 1.241 177.387 175.900 0.410 0.000 1.036 222 Y CA -0.605 57.661 58.100 0.277 0.000 1.265 222 Y CB 0.880 39.484 38.460 0.240 0.000 1.108 222 Y HN 0.027 nan 8.280 nan 0.000 0.471 223 H N 0.852 120.137 119.070 0.358 0.000 1.876 223 H HA 0.038 4.456 4.556 -0.229 0.000 0.124 223 H C 0.610 176.000 175.328 0.102 0.000 0.939 223 H CA 0.357 56.527 56.048 0.203 0.000 0.511 223 H CB 0.430 30.221 29.762 0.047 0.000 0.417 223 H HN 0.495 nan 8.280 nan 0.000 0.269 224 R N 2.033 122.459 120.500 -0.123 0.000 2.242 224 R HA 0.190 4.392 4.340 -0.230 0.000 0.138 224 R C 1.606 178.265 176.300 0.598 0.000 2.004 224 R CA 0.892 57.010 56.100 0.030 0.000 1.618 224 R CB -0.627 29.578 30.300 -0.157 0.000 1.371 224 R HN 0.329 nan 8.270 nan 0.000 0.480 225 E N 1.352 121.694 120.200 0.237 0.000 2.727 225 E HA -0.240 3.972 4.350 -0.230 0.000 0.365 225 E C -0.236 176.355 176.600 -0.016 0.000 0.816 225 E CA 1.629 58.086 56.400 0.096 0.000 2.148 225 E CB -0.167 29.536 29.700 0.006 0.000 0.778 225 E HN 0.284 nan 8.360 nan 0.000 0.532 226 K N 1.767 122.120 120.400 -0.079 0.000 3.000 226 K HA 0.035 4.216 4.320 -0.230 0.000 0.265 226 K C -0.113 176.530 176.600 0.072 0.000 1.260 226 K CA -0.280 55.931 56.287 -0.127 0.000 1.209 226 K CB -0.470 31.969 32.500 -0.101 0.000 1.484 226 K HN 0.257 nan 8.250 nan 0.000 0.283 234 S N 0.267 115.973 115.700 0.011 0.000 2.406 234 S HA -0.012 4.320 4.470 -0.230 0.000 0.228 234 S C 1.250 175.868 174.600 0.030 0.000 1.020 234 S CA 1.394 59.609 58.200 0.025 0.000 0.965 234 S CB 0.128 63.355 63.200 0.046 0.000 0.798 234 S HN 0.067 nan 8.310 nan 0.000 0.488 235 E N -0.801 119.420 120.200 0.035 0.000 3.306 235 E HA 0.474 4.686 4.350 -0.230 0.000 0.197 235 E C 0.556 177.161 176.600 0.008 0.000 0.980 235 E CA -0.120 56.305 56.400 0.042 0.000 1.259 235 E CB 0.252 30.023 29.700 0.118 0.000 1.112 235 E HN 0.394 nan 8.360 nan 0.000 0.458 236 M N -0.148 119.441 119.600 -0.018 0.000 2.216 236 M HA 0.066 4.408 4.480 -0.230 0.000 0.264 236 M C 1.939 178.214 176.300 -0.041 0.000 1.080 236 M CA 1.472 56.749 55.300 -0.038 0.000 1.153 236 M CB 0.118 32.694 32.600 -0.040 0.000 1.356 236 M HN 0.272 nan 8.290 nan 0.000 0.432 237 Q N -0.289 119.487 119.800 -0.041 0.000 2.096 237 Q HA -0.263 3.939 4.340 -0.230 0.000 0.204 237 Q C 2.193 178.157 176.000 -0.061 0.000 0.982 237 Q CA 1.905 57.678 55.803 -0.049 0.000 0.850 237 Q CB -0.144 28.562 28.738 -0.053 0.000 0.901 237 Q HN 0.471 nan 8.270 nan 0.000 0.422 238 R N -0.709 119.739 120.500 -0.087 0.000 2.105 238 R HA -0.131 4.071 4.340 -0.230 0.000 0.239 238 R C 2.062 178.395 176.300 0.055 0.000 1.135 238 R CA 1.693 57.721 56.100 -0.119 0.000 0.967 238 R CB 0.043 30.293 30.300 -0.084 0.000 0.861 238 R HN 0.303 nan 8.270 nan 0.000 0.442 239 M N -0.318 119.290 119.600 0.013 0.000 2.334 239 M HA -0.035 4.306 4.480 -0.230 0.000 0.266 239 M C 2.035 178.264 176.300 -0.118 0.000 1.082 239 M CA 1.139 56.419 55.300 -0.034 0.000 1.141 239 M CB -0.498 32.066 32.600 -0.061 0.000 1.380 239 M HN 0.111 nan 8.290 nan 0.000 0.440 240 Q N 1.277 121.027 119.800 -0.084 0.000 2.079 240 Q HA -0.110 4.092 4.340 -0.230 0.000 0.200 240 Q C 1.644 177.592 176.000 -0.086 0.000 0.974 240 Q CA 1.734 57.476 55.803 -0.101 0.000 0.840 240 Q CB -0.110 28.587 28.738 -0.068 0.000 0.898 240 Q HN 0.525 nan 8.270 nan 0.000 0.430 241 E N -0.440 119.753 120.200 -0.012 0.000 2.204 241 E HA -0.142 4.070 4.350 -0.230 0.000 0.195 241 E C 1.864 178.454 176.600 -0.016 0.000 0.990 241 E CA 0.932 57.349 56.400 0.029 0.000 0.821 241 E CB -0.062 29.733 29.700 0.158 0.000 0.750 241 E HN 0.377 nan 8.360 nan 0.000 0.477 242 L N 0.280 121.473 121.223 -0.050 0.000 2.109 242 L HA -0.126 4.076 4.340 -0.230 0.000 0.207 242 L C 2.293 179.004 176.870 -0.265 0.000 1.086 242 L CA 0.815 55.577 54.840 -0.130 0.000 0.760 242 L CB -0.212 41.796 42.059 -0.085 0.000 0.910 242 L HN 0.134 nan 8.230 nan 0.000 0.437 243 I N -0.276 120.055 120.570 -0.398 0.000 2.286 243 I HA -0.198 3.834 4.170 -0.230 0.000 0.245 243 I C 2.108 178.127 176.117 -0.164 0.000 1.104 243 I CA 0.782 61.854 61.300 -0.380 0.000 1.397 243 I CB -0.378 37.384 38.000 -0.397 0.000 1.072 243 I HN 0.296 nan 8.210 nan 0.000 0.417 244 N N 1.440 120.063 118.700 -0.129 0.000 2.166 244 N HA -0.122 4.480 4.740 -0.230 0.000 0.186 244 N C 1.918 177.390 175.510 -0.063 0.000 1.019 244 N CA 1.634 54.635 53.050 -0.081 0.000 0.856 244 N CB -0.367 38.083 38.487 -0.062 0.000 0.993 244 N HN 0.343 nan 8.380 nan 0.000 0.426 245 A N 0.527 123.310 122.820 -0.061 0.000 1.969 245 A HA -0.019 4.163 4.320 -0.230 0.000 0.218 245 A C 2.453 180.014 177.584 -0.038 0.000 1.169 245 A CA 1.348 53.358 52.037 -0.046 0.000 0.635 245 A CB -0.486 18.483 19.000 -0.050 0.000 0.810 245 A HN 0.235 nan 8.150 nan 0.000 0.445 246 S N -0.027 115.657 115.700 -0.026 0.000 2.383 246 S HA 0.003 4.335 4.470 -0.230 0.000 0.227 246 S C 2.250 176.837 174.600 -0.021 0.000 1.026 246 S CA 1.037 59.254 58.200 0.027 0.000 0.981 246 S CB -0.351 62.926 63.200 0.128 0.000 0.818 246 S HN 0.774 nan 8.310 nan 0.000 0.472 247 A N 1.574 124.367 122.820 -0.046 0.000 1.930 247 A HA -0.086 4.096 4.320 -0.230 0.000 0.217 247 A C 1.965 179.471 177.584 -0.130 0.000 1.175 247 A CA 1.169 53.162 52.037 -0.073 0.000 0.627 247 A CB -0.420 18.544 19.000 -0.060 0.000 0.815 247 A HN 0.515 nan 8.150 nan 0.000 0.443 248 E N -0.012 120.120 120.200 -0.113 0.000 2.204 248 E HA -0.084 4.127 4.350 -0.230 0.000 0.194 248 E C 0.463 176.907 176.600 -0.260 0.000 0.989 248 E CA 0.792 57.118 56.400 -0.123 0.000 0.824 248 E CB -0.054 29.618 29.700 -0.046 0.000 0.756 248 E HN 0.535 nan 8.360 nan 0.000 0.477 249 N N 0.809 119.338 118.700 -0.285 0.000 2.273 249 N HA 0.020 4.622 4.740 -0.230 0.000 0.231 249 N C -0.667 174.447 175.510 -0.659 0.000 1.134 249 N CA 0.082 52.852 53.050 -0.468 0.000 0.856 249 N CB 0.803 39.263 38.487 -0.044 0.000 1.068 249 N HN -0.072 nan 8.380 nan 0.000 0.510 250 K N 0.408 120.442 120.400 -0.609 0.000 3.278 250 K HA -0.127 4.055 4.320 -0.230 0.000 0.270 250 K C -0.839 175.706 176.600 -0.093 0.000 0.955 250 K CA 0.367 56.418 56.287 -0.394 0.000 0.723 250 K CB -1.887 30.238 32.500 -0.624 0.000 1.382 250 K HN 0.039 nan 8.250 nan 0.000 0.461 251 V N 1.162 121.069 119.914 -0.010 0.000 2.540 251 V HA 0.201 4.183 4.120 -0.230 0.000 0.302 251 V C 0.170 176.343 176.094 0.131 0.000 1.035 251 V CA -0.973 61.392 62.300 0.108 0.000 0.873 251 V CB 2.122 34.052 31.823 0.178 0.000 0.992 251 V HN 0.110 nan 8.190 nan 0.000 0.428 252 D N 4.010 124.491 120.400 0.135 0.000 2.352 252 D HA 0.175 4.676 4.640 -0.230 0.000 0.245 252 D C -0.332 176.088 176.300 0.201 0.000 1.224 252 D CA 0.072 54.161 54.000 0.149 0.000 0.879 252 D CB 0.873 41.745 40.800 0.120 0.000 1.057 252 D HN 0.411 nan 8.370 nan 0.000 0.491 253 F N 3.282 123.291 119.950 0.097 0.000 2.471 253 F HA 0.148 4.536 4.527 -0.231 0.000 0.365 253 F C -0.343 175.496 175.800 0.065 0.000 1.095 253 F CA -0.414 57.671 58.000 0.143 0.000 1.174 253 F CB 0.515 39.590 39.000 0.125 0.000 1.105 253 F HN 0.001 nan 8.300 nan 0.000 0.535 254 V N 8.273 127.913 119.914 -0.456 0.000 2.394 254 V HA 0.207 4.189 4.120 -0.230 0.000 0.282 254 V C -0.414 175.333 176.094 -0.579 0.000 1.031 254 V CA -0.821 61.252 62.300 -0.377 0.000 0.881 254 V CB 1.151 32.859 31.823 -0.193 0.000 0.982 254 V HN 0.621 nan 8.190 nan 0.000 0.451 255 F N 3.664 123.316 119.950 -0.497 0.000 2.404 255 F HA 0.732 5.121 4.527 -0.231 0.000 0.345 255 F C 0.783 176.458 175.800 -0.207 0.000 1.110 255 F CA -0.287 57.538 58.000 -0.293 0.000 1.130 255 F CB 1.101 40.037 39.000 -0.108 0.000 1.129 255 F HN 0.571 nan 8.300 nan 0.000 0.500 256 G N 6.154 114.451 108.800 -0.838 0.000 2.437 256 G HA2 0.624 4.446 3.960 -0.230 0.000 0.319 256 G HA3 0.624 4.446 3.960 -0.230 0.000 0.319 256 G C -1.304 173.229 174.900 -0.611 0.000 1.158 256 G CA -0.674 43.960 45.100 -0.777 0.000 0.899 256 G HN 0.692 nan 8.290 nan 0.000 0.502 257 I N 0.125 120.414 120.570 -0.467 0.000 2.607 257 I HA 0.270 4.302 4.170 -0.230 0.000 0.290 257 I C -0.574 175.171 176.117 -0.621 0.000 1.129 257 I CA -0.654 60.395 61.300 -0.418 0.000 1.042 257 I CB 2.649 40.449 38.000 -0.332 0.000 1.242 257 I HN 0.325 nan 8.210 nan 0.000 0.421 258 S N 6.601 121.782 115.700 -0.865 0.000 2.252 258 S HA 0.312 4.644 4.470 -0.230 0.000 0.187 258 S C -2.050 172.094 174.600 -0.759 0.000 1.587 258 S CA -0.827 56.947 58.200 -0.710 0.000 1.215 258 S CB 0.854 63.731 63.200 -0.538 0.000 1.085 258 S HN 0.524 nan 8.310 nan 0.000 0.466 259 P HA 0.197 nan 4.420 nan 0.000 0.261 259 P C 1.529 178.582 177.300 -0.411 0.000 1.268 259 P CA -0.004 62.370 63.100 -1.209 0.000 0.833 259 P CB 0.056 30.573 31.700 -1.973 0.000 1.231 260 G N 2.518 111.175 108.800 -0.238 0.000 2.505 260 G HA2 -0.299 3.523 3.960 -0.230 0.000 0.220 260 G HA3 -0.299 3.523 3.960 -0.230 0.000 0.220 260 G C 1.480 176.480 174.900 0.167 0.000 1.145 260 G CA 1.163 46.333 45.100 0.117 0.000 0.761 260 G HN 0.444 nan 8.290 nan 0.000 0.571 261 I N -0.771 119.868 120.570 0.115 0.000 2.335 261 I HA -0.034 3.997 4.170 -0.230 0.000 0.251 261 I C 1.060 177.274 176.117 0.162 0.000 1.129 261 I CA 2.046 63.428 61.300 0.137 0.000 1.402 261 I CB -0.130 37.938 38.000 0.114 0.000 1.069 261 I HN 0.228 nan 8.210 nan 0.000 0.424 262 D N 0.499 121.028 120.400 0.214 0.000 2.712 262 D HA 0.245 4.746 4.640 -0.230 0.000 0.300 262 D C 0.069 176.527 176.300 0.263 0.000 1.521 262 D CA -0.424 53.701 54.000 0.207 0.000 0.790 262 D CB -0.654 40.253 40.800 0.177 0.000 1.155 262 D HN 0.459 nan 8.370 nan 0.000 0.456 263 I N 0.612 121.317 120.570 0.225 0.000 2.662 263 I HA 0.328 4.360 4.170 -0.230 0.000 0.291 263 I C -0.268 175.726 176.117 -0.205 0.000 1.046 263 I CA -0.482 60.889 61.300 0.118 0.000 1.361 263 I CB 0.646 38.618 38.000 -0.046 0.000 1.429 263 I HN -0.189 nan 8.210 nan 0.000 0.558 264 R N 5.549 125.901 120.500 -0.247 0.000 2.670 264 R HA 0.400 4.602 4.340 -0.230 0.000 0.289 264 R C -0.725 175.339 176.300 -0.393 0.000 0.965 264 R CA -0.404 55.529 56.100 -0.279 0.000 0.899 264 R CB 1.562 31.844 30.300 -0.031 0.000 1.173 264 R HN 0.573 nan 8.270 nan 0.000 0.456 265 F N -0.791 119.250 119.950 0.151 0.000 2.637 265 F HA 0.223 4.612 4.527 -0.230 0.000 0.284 265 F C 0.208 176.057 175.800 0.082 0.000 1.105 265 F CA -0.383 57.691 58.000 0.123 0.000 1.356 265 F CB 0.572 39.623 39.000 0.086 0.000 1.096 265 F HN 0.342 nan 8.300 nan 0.000 0.616 266 D N -0.088 120.449 120.400 0.229 0.000 2.229 266 D HA 0.538 5.039 4.640 -0.230 0.000 0.249 266 D C 0.565 176.924 176.300 0.099 0.000 1.027 266 D CA 0.747 54.832 54.000 0.141 0.000 0.923 266 D CB 1.303 42.174 40.800 0.118 0.000 1.174 266 D HN 0.334 nan 8.370 nan 0.000 0.443 267 G N 1.342 110.187 108.800 0.075 0.000 2.566 267 G HA2 -0.195 3.627 3.960 -0.230 0.000 0.599 267 G HA3 -0.195 3.627 3.960 -0.230 0.000 0.599 267 G C 0.166 175.103 174.900 0.062 0.000 1.292 267 G CA -0.330 44.806 45.100 0.061 0.000 0.922 267 G HN 0.373 nan 8.290 nan 0.000 0.514 268 D N 0.138 120.571 120.400 0.055 0.000 2.117 268 D HA 0.226 4.728 4.640 -0.230 0.000 0.197 268 D C 2.361 178.706 176.300 0.075 0.000 0.987 268 D CA 3.338 57.371 54.000 0.055 0.000 0.829 268 D CB -0.291 40.535 40.800 0.043 0.000 0.961 268 D HN 1.990 nan 8.370 nan 0.000 0.460 269 A N -1.474 121.404 122.820 0.095 0.000 3.410 269 A HA -0.026 4.156 4.320 -0.230 0.000 0.253 269 A C 1.569 179.217 177.584 0.107 0.000 1.178 269 A CA 1.316 53.412 52.037 0.099 0.000 1.334 269 A CB -1.901 17.134 19.000 0.058 0.000 1.097 269 A HN 1.022 nan 8.150 nan 0.000 0.921 270 G N -0.982 107.889 108.800 0.119 0.000 2.591 270 G HA2 -0.313 3.509 3.960 -0.230 0.000 0.298 270 G HA3 -0.313 3.509 3.960 -0.230 0.000 0.298 270 G C 0.682 175.684 174.900 0.170 0.000 1.195 270 G CA 1.443 46.619 45.100 0.127 0.000 0.989 270 G HN 1.652 nan 8.290 nan 0.000 0.551 271 E N 1.218 121.501 120.200 0.139 0.000 2.077 271 E HA -0.059 4.153 4.350 -0.230 0.000 0.193 271 E C 2.599 179.343 176.600 0.240 0.000 0.989 271 E CA 2.131 58.642 56.400 0.185 0.000 0.800 271 E CB -0.438 29.335 29.700 0.121 0.000 0.746 271 E HN 0.774 nan 8.360 nan 0.000 0.452 272 E N 0.148 120.448 120.200 0.166 0.000 2.097 272 E HA -0.285 3.926 4.350 -0.230 0.000 0.196 272 E C 1.711 178.440 176.600 0.214 0.000 1.000 272 E CA 1.650 58.145 56.400 0.158 0.000 0.804 272 E CB -0.405 29.345 29.700 0.084 0.000 0.740 272 E HN 0.191 nan 8.360 nan 0.000 0.454 273 D N 0.101 120.638 120.400 0.229 0.000 2.117 273 D HA -0.201 4.301 4.640 -0.230 0.000 0.197 273 D C 1.737 178.267 176.300 0.384 0.000 0.987 273 D CA 0.972 55.160 54.000 0.314 0.000 0.829 273 D CB -0.365 40.615 40.800 0.301 0.000 0.961 273 D HN 0.334 nan 8.370 nan 0.000 0.460 274 F N 1.073 121.156 119.950 0.222 0.000 2.134 274 F HA -0.149 4.240 4.527 -0.230 0.000 0.299 274 F C 1.856 177.779 175.800 0.204 0.000 1.097 274 F CA 1.593 59.724 58.000 0.217 0.000 1.264 274 F CB -0.386 38.728 39.000 0.189 0.000 1.001 274 F HN -0.068 nan 8.300 nan 0.000 0.479 275 N N -0.922 117.961 118.700 0.306 0.000 2.120 275 N HA -0.218 4.384 4.740 -0.230 0.000 0.188 275 N C 0.617 176.184 175.510 0.095 0.000 1.024 275 N CA 1.390 54.541 53.050 0.168 0.000 0.852 275 N CB -0.546 38.062 38.487 0.201 0.000 1.003 275 N HN 0.381 nan 8.380 nan 0.000 0.424 276 H N -0.044 119.072 119.070 0.077 0.000 2.855 276 H HA 0.275 4.693 4.556 -0.230 0.000 0.238 276 H C 0.404 175.806 175.328 0.124 0.000 1.847 276 H CA -0.227 55.867 56.048 0.077 0.000 1.368 276 H CB -0.249 29.553 29.762 0.067 0.000 1.758 276 H HN 0.112 nan 8.280 nan 0.000 0.546 277 L N 2.201 123.353 121.223 -0.117 0.000 2.681 277 L HA 0.247 4.449 4.340 -0.230 0.000 0.163 277 L C 1.464 178.291 176.870 -0.071 0.000 1.188 277 L CA 0.428 55.211 54.840 -0.096 0.000 0.944 277 L CB -0.648 41.334 42.059 -0.129 0.000 1.835 277 L HN 0.445 nan 8.230 nan 0.000 0.510 278 I N 0.613 121.166 120.570 -0.028 0.000 2.151 278 I HA -0.317 3.715 4.170 -0.230 0.000 0.243 278 I C 1.963 178.076 176.117 -0.006 0.000 1.080 278 I CA 2.145 63.439 61.300 -0.010 0.000 1.339 278 I CB -0.638 37.305 38.000 -0.095 0.000 1.039 278 I HN 0.377 nan 8.210 nan 0.000 0.409 279 T N 0.168 114.701 114.554 -0.035 0.000 2.833 279 T HA -0.199 4.013 4.350 -0.230 0.000 0.269 279 T C 1.855 176.529 174.700 -0.044 0.000 1.054 279 T CA 1.407 63.494 62.100 -0.021 0.000 1.135 279 T CB -0.189 68.676 68.868 -0.005 0.000 0.869 279 T HN 0.152 nan 8.240 nan 0.000 0.466 280 K N 2.055 122.396 120.400 -0.098 0.000 2.063 280 K HA 0.058 4.240 4.320 -0.230 0.000 0.208 280 K C 2.192 178.734 176.600 -0.096 0.000 1.048 280 K CA 1.536 57.768 56.287 -0.092 0.000 0.928 280 K CB -0.713 31.741 32.500 -0.078 0.000 0.713 280 K HN 0.270 nan 8.250 nan 0.000 0.442 281 A N 0.482 123.218 122.820 -0.140 0.000 1.930 281 A HA -0.061 4.121 4.320 -0.230 0.000 0.215 281 A C 1.943 179.508 177.584 -0.031 0.000 1.176 281 A CA 1.376 53.219 52.037 -0.323 0.000 0.632 281 A CB -0.422 17.948 19.000 -1.049 0.000 0.819 281 A HN 0.476 nan 8.150 nan 0.000 0.445 282 E N 0.498 120.767 120.200 0.116 0.000 2.153 282 E HA -0.166 4.046 4.350 -0.230 0.000 0.194 282 E C 2.329 179.025 176.600 0.160 0.000 0.988 282 E CA 1.384 57.884 56.400 0.166 0.000 0.811 282 E CB -0.153 29.580 29.700 0.055 0.000 0.746 282 E HN 0.814 nan 8.360 nan 0.000 0.466 283 S N 0.869 116.613 115.700 0.073 0.000 2.382 283 S HA -0.130 4.202 4.470 -0.230 0.000 0.228 283 S C 2.039 176.673 174.600 0.057 0.000 1.027 283 S CA 0.760 58.980 58.200 0.034 0.000 0.991 283 S CB -0.430 62.746 63.200 -0.040 0.000 0.823 283 S HN 0.171 nan 8.310 nan 0.000 0.469 284 L N -0.642 120.637 121.223 0.093 0.000 2.217 284 L HA 0.083 4.285 4.340 -0.230 0.000 0.211 284 L C 2.550 179.600 176.870 0.300 0.000 1.107 284 L CA 1.162 56.076 54.840 0.123 0.000 0.783 284 L CB -0.588 41.510 42.059 0.064 0.000 0.919 284 L HN 0.305 nan 8.230 nan 0.000 0.442 285 Y N 1.175 121.687 120.300 0.352 0.000 2.293 285 Y HA -0.254 4.159 4.550 -0.229 0.000 0.291 285 Y C 2.049 178.028 175.900 0.131 0.000 1.137 285 Y CA 1.582 59.873 58.100 0.319 0.000 1.202 285 Y CB -0.030 38.598 38.460 0.280 0.000 0.990 285 Y HN 0.232 nan 8.280 nan 0.000 0.537 286 D N -0.370 120.126 120.400 0.160 0.000 2.183 286 D HA -0.134 4.368 4.640 -0.230 0.000 0.203 286 D C 1.932 178.213 176.300 -0.032 0.000 0.969 286 D CA 1.388 55.410 54.000 0.037 0.000 0.842 286 D CB -0.259 40.576 40.800 0.059 0.000 0.957 286 D HN 0.440 nan 8.370 nan 0.000 0.484 287 M N -1.007 118.581 119.600 -0.021 0.000 2.492 287 M HA 0.130 4.472 4.480 -0.230 0.000 0.262 287 M C 1.086 177.332 176.300 -0.091 0.000 1.090 287 M CA 0.985 56.249 55.300 -0.060 0.000 1.110 287 M CB 0.595 33.153 32.600 -0.069 0.000 1.407 287 M HN 0.180 nan 8.290 nan 0.000 0.470 288 G N 0.012 108.753 108.800 -0.098 0.000 2.198 288 G HA2 -0.138 3.684 3.960 -0.230 0.000 0.156 288 G HA3 -0.138 3.684 3.960 -0.230 0.000 0.156 288 G C -0.106 174.752 174.900 -0.070 0.000 1.012 288 G CA -0.645 44.380 45.100 -0.124 0.000 0.692 288 G HN 0.200 nan 8.290 nan 0.000 0.492 289 V N 2.381 122.297 119.914 0.002 0.000 2.439 289 V HA 0.330 4.311 4.120 -0.230 0.000 0.271 289 V C 1.427 177.571 176.094 0.082 0.000 1.040 289 V CA -0.061 62.258 62.300 0.031 0.000 1.002 289 V CB 1.155 32.933 31.823 -0.074 0.000 1.000 289 V HN 0.294 nan 8.190 nan 0.000 0.477 290 R N 2.230 122.784 120.500 0.091 0.000 2.362 290 R HA 0.279 4.481 4.340 -0.230 0.000 0.227 290 R C 0.049 176.491 176.300 0.237 0.000 0.905 290 R CA 0.052 56.291 56.100 0.231 0.000 1.067 290 R CB 0.804 31.203 30.300 0.165 0.000 1.078 290 R HN 0.605 nan 8.270 nan 0.000 0.516 291 S N 0.298 115.990 115.700 -0.012 0.000 2.538 291 S HA 0.662 4.994 4.470 -0.230 0.000 0.288 291 S C -1.040 173.379 174.600 -0.301 0.000 1.108 291 S CA -0.498 57.720 58.200 0.030 0.000 0.971 291 S CB 1.647 64.889 63.200 0.071 0.000 1.041 291 S HN -0.007 nan 8.310 nan 0.000 0.483 292 F N 0.830 120.901 119.950 0.202 0.000 2.613 292 F HA 0.861 5.251 4.527 -0.229 0.000 0.314 292 F C 0.087 175.912 175.800 0.043 0.000 1.075 292 F CA -0.713 57.368 58.000 0.136 0.000 0.945 292 F CB 1.950 41.009 39.000 0.099 0.000 1.310 292 F HN 0.708 nan 8.300 nan 0.000 0.467 293 A N 1.790 124.681 122.820 0.118 0.000 2.574 293 A HA 0.850 5.032 4.320 -0.230 0.000 0.297 293 A C -1.702 175.770 177.584 -0.187 0.000 1.062 293 A CA -0.538 51.487 52.037 -0.020 0.000 0.686 293 A CB 1.285 20.267 19.000 -0.029 0.000 1.285 293 A HN 0.659 nan 8.150 nan 0.000 0.403 294 I N 2.063 122.547 120.570 -0.144 0.000 2.418 294 I HA 0.401 4.433 4.170 -0.230 0.000 0.287 294 I C -1.363 174.637 176.117 -0.194 0.000 1.008 294 I CA -0.589 60.520 61.300 -0.320 0.000 1.104 294 I CB 1.475 39.226 38.000 -0.415 0.000 1.264 294 I HN 0.552 nan 8.210 nan 0.000 0.438 295 Y N 4.201 124.123 120.300 -0.629 0.000 2.387 295 Y HA 0.275 4.687 4.550 -0.230 0.000 0.336 295 Y C -0.292 175.110 175.900 -0.830 0.000 1.067 295 Y CA -1.664 56.126 58.100 -0.516 0.000 1.114 295 Y CB 1.606 39.914 38.460 -0.254 0.000 1.208 295 Y HN 0.561 nan 8.280 nan 0.000 0.458 296 W N 1.034 122.329 121.300 -0.007 0.000 2.693 296 W HA 0.258 4.780 4.660 -0.230 0.000 0.415 296 W C 0.827 177.279 176.519 -0.113 0.000 0.932 296 W CA -0.332 56.948 57.345 -0.108 0.000 2.200 296 W CB 0.308 29.651 29.460 -0.195 0.000 1.188 296 W HN 0.529 nan 8.180 nan 0.000 0.665 297 D N 1.142 121.550 120.400 0.013 0.000 2.117 297 D HA -0.143 4.359 4.640 -0.230 0.000 0.197 297 D C 0.241 176.581 176.300 0.067 0.000 0.987 297 D CA 1.620 55.589 54.000 -0.052 0.000 0.829 297 D CB 0.221 40.887 40.800 -0.222 0.000 0.961 297 D HN 0.063 nan 8.370 nan 0.000 0.460 298 D N -0.546 119.891 120.400 0.062 0.000 2.481 298 D HA 0.240 4.742 4.640 -0.230 0.000 0.246 298 D C 0.131 176.485 176.300 0.090 0.000 1.109 298 D CA -0.619 53.425 54.000 0.074 0.000 0.845 298 D CB 1.883 42.737 40.800 0.091 0.000 1.160 298 D HN 0.018 nan 8.370 nan 0.000 0.534 299 I N 0.679 121.301 120.570 0.086 0.000 4.530 299 I HA 0.007 4.039 4.170 -0.230 0.000 0.318 299 I C 0.852 177.048 176.117 0.133 0.000 1.257 299 I CA 0.822 62.210 61.300 0.148 0.000 1.301 299 I CB 0.037 38.197 38.000 0.267 0.000 1.297 299 I HN 0.250 nan 8.210 nan 0.000 0.451 300 Q N 0.614 120.454 119.800 0.066 0.000 2.645 300 Q HA -0.241 3.961 4.340 -0.230 0.000 0.188 300 Q C -0.075 175.980 176.000 0.091 0.000 2.862 300 Q CA 2.212 58.048 55.803 0.056 0.000 0.227 300 Q CB -2.195 26.584 28.738 0.068 0.000 0.207 300 Q HN 0.568 nan 8.270 nan 0.000 0.418 301 D N 2.157 122.666 120.400 0.183 0.000 2.545 301 D HA 0.114 4.616 4.640 -0.230 0.000 0.227 301 D C 0.261 176.674 176.300 0.188 0.000 1.150 301 D CA 0.090 54.213 54.000 0.205 0.000 1.046 301 D CB -0.216 40.783 40.800 0.332 0.000 1.098 301 D HN 0.155 nan 8.370 nan 0.000 0.502 302 K N 1.192 121.651 120.400 0.099 0.000 2.243 302 K HA 0.071 4.253 4.320 -0.230 0.000 0.232 302 K C -0.348 176.295 176.600 0.070 0.000 1.237 302 K CA -0.106 56.243 56.287 0.104 0.000 1.161 302 K CB -0.020 32.468 32.500 -0.020 0.000 1.505 302 K HN -0.001 nan 8.250 nan 0.000 0.271 303 S N 1.516 117.118 115.700 -0.164 0.000 2.733 303 S HA 0.406 4.738 4.470 -0.230 0.000 0.307 303 S C 0.692 174.898 174.600 -0.657 0.000 1.127 303 S CA -0.581 57.398 58.200 -0.367 0.000 1.097 303 S CB 1.346 64.267 63.200 -0.464 0.000 1.003 303 S HN 0.546 nan 8.310 nan 0.000 0.477 304 A N 4.620 127.236 122.820 -0.339 0.000 1.969 304 A HA 0.178 4.359 4.320 -0.230 0.000 0.218 304 A C 2.237 179.612 177.584 -0.348 0.000 1.169 304 A CA 1.609 53.434 52.037 -0.353 0.000 0.635 304 A CB -0.928 17.779 19.000 -0.488 0.000 0.810 304 A HN 1.154 nan 8.150 nan 0.000 0.445 305 A N -0.272 122.342 122.820 -0.343 0.000 2.015 305 A HA -0.111 4.071 4.320 -0.230 0.000 0.219 305 A C 2.060 179.445 177.584 -0.332 0.000 1.163 305 A CA 1.701 53.563 52.037 -0.291 0.000 0.646 305 A CB -0.287 18.577 19.000 -0.227 0.000 0.806 305 A HN 0.555 nan 8.150 nan 0.000 0.448 306 K N -1.485 118.594 120.400 -0.535 0.000 2.211 306 K HA 0.031 4.213 4.320 -0.230 0.000 0.201 306 K C 1.693 177.995 176.600 -0.497 0.000 1.052 306 K CA 1.042 56.928 56.287 -0.669 0.000 0.973 306 K CB -0.165 31.545 32.500 -1.318 0.000 0.766 306 K HN 0.738 nan 8.250 nan 0.000 0.466 307 H N 0.147 118.955 119.070 -0.438 0.000 2.363 307 H HA 0.032 4.450 4.556 -0.230 0.000 0.301 307 H C 2.127 177.406 175.328 -0.082 0.000 1.074 307 H CA 0.861 56.666 56.048 -0.405 0.000 1.354 307 H CB 0.104 29.400 29.762 -0.777 0.000 1.397 307 H HN 0.196 nan 8.280 nan 0.000 0.516 308 A N 0.989 123.738 122.820 -0.119 0.000 1.969 308 A HA -0.239 3.943 4.320 -0.230 0.000 0.218 308 A C 2.250 179.813 177.584 -0.034 0.000 1.169 308 A CA 1.654 53.567 52.037 -0.206 0.000 0.635 308 A CB -0.420 18.334 19.000 -0.411 0.000 0.810 308 A HN 0.331 nan 8.150 nan 0.000 0.445 309 Q N 0.240 120.027 119.800 -0.022 0.000 2.096 309 Q HA -0.131 4.071 4.340 -0.230 0.000 0.204 309 Q C 1.787 177.897 176.000 0.183 0.000 0.982 309 Q CA 2.419 58.246 55.803 0.039 0.000 0.850 309 Q CB -0.701 28.038 28.738 0.002 0.000 0.901 309 Q HN 0.346 nan 8.270 nan 0.000 0.422 310 V N 0.260 120.359 119.914 0.308 0.000 2.358 310 V HA -0.224 3.758 4.120 -0.230 0.000 0.246 310 V C 2.325 178.679 176.094 0.433 0.000 1.047 310 V CA 1.690 64.277 62.300 0.479 0.000 1.035 310 V CB -0.556 31.622 31.823 0.592 0.000 0.658 310 V HN 0.351 nan 8.190 nan 0.000 0.452 311 L N -0.027 121.403 121.223 0.345 0.000 2.027 311 L HA -0.112 4.090 4.340 -0.230 0.000 0.206 311 L C 2.500 179.540 176.870 0.282 0.000 1.074 311 L CA 1.443 56.459 54.840 0.294 0.000 0.745 311 L CB -0.744 41.465 42.059 0.251 0.000 0.898 311 L HN 0.339 nan 8.230 nan 0.000 0.433 312 N N 0.085 118.900 118.700 0.191 0.000 2.120 312 N HA -0.183 4.419 4.740 -0.230 0.000 0.188 312 N C 1.940 177.566 175.510 0.193 0.000 1.024 312 N CA 1.168 54.306 53.050 0.146 0.000 0.852 312 N CB -0.235 38.287 38.487 0.058 0.000 1.003 312 N HN 0.258 nan 8.380 nan 0.000 0.424 313 R N -0.466 120.182 120.500 0.247 0.000 2.148 313 R HA 0.013 4.215 4.340 -0.230 0.000 0.223 313 R C 1.896 178.449 176.300 0.422 0.000 1.088 313 R CA 0.425 56.697 56.100 0.286 0.000 0.985 313 R CB -0.195 30.232 30.300 0.210 0.000 0.880 313 R HN 0.129 nan 8.270 nan 0.000 0.451 314 F N 1.173 121.311 119.950 0.312 0.000 2.259 314 F HA -0.106 4.282 4.527 -0.231 0.000 0.298 314 F C 1.844 177.745 175.800 0.168 0.000 1.088 314 F CA 1.464 59.578 58.000 0.190 0.000 1.358 314 F CB -0.131 38.927 39.000 0.097 0.000 1.040 314 F HN 0.047 nan 8.300 nan 0.000 0.505 315 N N 0.028 118.921 118.700 0.323 0.000 2.309 315 N HA -0.154 4.447 4.740 -0.230 0.000 0.182 315 N C 1.675 177.259 175.510 0.123 0.000 1.018 315 N CA 1.275 54.459 53.050 0.222 0.000 0.876 315 N CB -0.053 38.556 38.487 0.203 0.000 0.972 315 N HN 0.257 nan 8.380 nan 0.000 0.434 316 E N 0.227 120.493 120.200 0.109 0.000 2.102 316 E HA -0.007 4.205 4.350 -0.230 0.000 0.190 316 E C 1.057 177.670 176.600 0.020 0.000 0.971 316 E CA 0.664 57.103 56.400 0.065 0.000 0.821 316 E CB -0.085 29.659 29.700 0.074 0.000 0.777 316 E HN 0.535 nan 8.360 nan 0.000 0.460 317 E N -0.951 119.259 120.200 0.018 0.000 2.489 317 E HA 0.024 4.235 4.350 -0.230 0.000 0.193 317 E C 0.765 177.268 176.600 -0.162 0.000 1.057 317 E CA 0.082 56.459 56.400 -0.040 0.000 0.866 317 E CB 0.314 30.042 29.700 0.048 0.000 0.916 317 E HN 0.092 nan 8.360 nan 0.000 0.500 318 F N -1.290 118.421 119.950 -0.399 0.000 1.965 318 F HA 0.041 4.429 4.527 -0.231 0.000 0.237 318 F C 1.690 177.319 175.800 -0.285 0.000 1.132 318 F CA -0.006 57.687 58.000 -0.511 0.000 1.272 318 F CB -0.131 38.244 39.000 -1.041 0.000 1.657 318 F HN -0.214 nan 8.300 nan 0.000 0.525 319 V N 1.437 121.437 119.914 0.143 0.000 2.427 319 V HA -0.193 3.789 4.120 -0.230 0.000 0.248 319 V C 1.794 177.922 176.094 0.057 0.000 1.051 319 V CA 2.264 64.671 62.300 0.179 0.000 1.048 319 V CB -0.343 31.642 31.823 0.271 0.000 0.666 319 V HN 0.367 nan 8.190 nan 0.000 0.456 320 K N -0.229 120.187 120.400 0.028 0.000 2.262 320 K HA 0.213 4.395 4.320 -0.230 0.000 0.200 320 K C 2.126 178.699 176.600 -0.046 0.000 1.049 320 K CA 0.935 57.227 56.287 0.009 0.000 0.979 320 K CB -0.135 32.382 32.500 0.028 0.000 0.773 320 K HN 0.510 nan 8.250 nan 0.000 0.474 321 A N 1.636 124.394 122.820 -0.102 0.000 2.014 321 A HA -0.090 4.091 4.320 -0.230 0.000 0.218 321 A C 1.812 179.274 177.584 -0.203 0.000 1.163 321 A CA 1.233 53.182 52.037 -0.147 0.000 0.652 321 A CB 0.027 18.918 19.000 -0.182 0.000 0.808 321 A HN 0.014 nan 8.150 nan 0.000 0.449 322 K N -2.081 118.153 120.400 -0.278 0.000 2.168 322 K HA 0.169 4.351 4.320 -0.230 0.000 0.201 322 K C 1.603 178.130 176.600 -0.121 0.000 1.049 322 K CA 1.060 57.161 56.287 -0.309 0.000 0.974 322 K CB -0.364 31.775 32.500 -0.602 0.000 0.792 322 K HN 0.692 nan 8.250 nan 0.000 0.463 323 G N 1.601 110.365 108.800 -0.060 0.000 2.284 323 G HA2 -0.320 3.501 3.960 -0.230 0.000 0.247 323 G HA3 -0.320 3.501 3.960 -0.230 0.000 0.247 323 G C 0.939 175.880 174.900 0.068 0.000 1.012 323 G CA 0.735 45.842 45.100 0.012 0.000 0.618 323 G HN 0.328 nan 8.290 nan 0.000 0.521 324 D N 0.514 120.976 120.400 0.104 0.000 2.117 324 D HA 0.073 4.575 4.640 -0.230 0.000 0.198 324 D C 1.737 178.185 176.300 0.248 0.000 0.982 324 D CA 1.083 55.213 54.000 0.217 0.000 0.828 324 D CB -0.149 40.916 40.800 0.441 0.000 0.967 324 D HN 0.390 nan 8.370 nan 0.000 0.464 325 V N 2.224 122.292 119.914 0.257 0.000 2.843 325 V HA 0.010 3.991 4.120 -0.230 0.000 0.305 325 V C 0.831 177.093 176.094 0.280 0.000 1.065 325 V CA -0.239 62.269 62.300 0.347 0.000 1.116 325 V CB 1.140 33.218 31.823 0.425 0.000 0.968 325 V HN 0.030 nan 8.190 nan 0.000 0.487 326 K N 3.847 124.428 120.400 0.301 0.000 2.168 326 K HA 0.344 4.525 4.320 -0.230 0.000 0.258 326 K C -2.379 174.379 176.600 0.262 0.000 1.010 326 K CA -1.780 54.656 56.287 0.248 0.000 0.929 326 K CB 0.061 32.702 32.500 0.235 0.000 0.998 326 K HN 0.361 nan 8.250 nan 0.000 0.479 327 P HA -0.063 nan 4.420 nan 0.000 0.266 327 P C -0.265 177.169 177.300 0.223 0.000 1.193 327 P CA -0.291 62.933 63.100 0.207 0.000 0.770 327 P CB 0.300 32.104 31.700 0.174 0.000 0.836 328 L N 3.995 125.352 121.223 0.223 0.000 2.416 328 L HA 0.253 4.455 4.340 -0.230 0.000 0.272 328 L C -0.389 176.571 176.870 0.150 0.000 1.161 328 L CA 0.330 55.309 54.840 0.231 0.000 0.845 328 L CB -0.272 41.949 42.059 0.270 0.000 1.119 328 L HN 0.221 nan 8.230 nan 0.000 0.464 329 I N 4.072 124.721 120.570 0.130 0.000 2.493 329 I HA 0.514 4.546 4.170 -0.230 0.000 0.298 329 I C 0.048 176.253 176.117 0.147 0.000 0.998 329 I CA -0.413 60.926 61.300 0.064 0.000 1.137 329 I CB 1.936 39.945 38.000 0.015 0.000 1.310 329 I HN 0.606 nan 8.210 nan 0.000 0.445 330 T N 4.328 118.973 114.554 0.151 0.000 2.853 330 T HA 0.614 4.826 4.350 -0.230 0.000 0.311 330 T C -1.704 173.080 174.700 0.141 0.000 1.307 330 T CA -0.402 61.836 62.100 0.229 0.000 1.019 330 T CB 1.785 70.861 68.868 0.346 0.000 1.264 330 T HN 0.219 nan 8.240 nan 0.000 0.497 331 V N 5.444 125.405 119.914 0.079 0.000 2.443 331 V HA 0.531 4.512 4.120 -0.230 0.000 0.293 331 V C -2.164 174.032 176.094 0.170 0.000 1.021 331 V CA -1.686 60.593 62.300 -0.035 0.000 0.848 331 V CB 1.672 33.227 31.823 -0.447 0.000 0.998 331 V HN 0.747 nan 8.190 nan 0.000 0.424 332 P HA 0.192 nan 4.420 nan 0.000 0.274 332 P C 0.786 178.091 177.300 0.009 0.000 1.256 332 P CA -0.062 62.941 63.100 -0.160 0.000 0.795 332 P CB 0.839 32.207 31.700 -0.553 0.000 1.038 333 T N -1.065 113.413 114.554 -0.126 0.000 2.821 333 T HA -0.096 4.116 4.350 -0.230 0.000 0.267 333 T C 0.481 174.976 174.700 -0.342 0.000 1.046 333 T CA 1.424 63.368 62.100 -0.260 0.000 1.139 333 T CB -0.324 68.153 68.868 -0.652 0.000 0.871 333 T HN 0.496 nan 8.240 nan 0.000 0.454 334 E N 0.956 120.953 120.200 -0.339 0.000 2.046 334 E HA 0.248 4.460 4.350 -0.230 0.000 0.279 334 E C -0.224 176.293 176.600 -0.138 0.000 0.989 334 E CA -0.372 55.834 56.400 -0.322 0.000 0.798 334 E CB 0.675 30.282 29.700 -0.156 0.000 1.086 334 E HN 0.647 nan 8.360 nan 0.000 0.399 335 Y N 0.478 120.733 120.300 -0.074 0.000 2.535 335 Y HA 0.140 4.552 4.550 -0.230 0.000 0.264 335 Y C 0.462 176.414 175.900 0.087 0.000 1.087 335 Y CA -0.847 57.245 58.100 -0.013 0.000 1.285 335 Y CB 0.111 38.479 38.460 -0.155 0.000 1.200 335 Y HN 0.206 nan 8.280 nan 0.000 0.514 336 D N 0.766 121.139 120.400 -0.046 0.000 2.210 336 D HA 0.086 4.588 4.640 -0.230 0.000 0.249 336 D C 0.518 176.871 176.300 0.088 0.000 1.062 336 D CA -0.090 53.953 54.000 0.071 0.000 0.891 336 D CB 2.207 42.991 40.800 -0.028 0.000 1.186 336 D HN 0.100 nan 8.370 nan 0.000 0.432 337 T N 1.855 116.522 114.554 0.188 0.000 2.759 337 T HA -0.090 4.122 4.350 -0.230 0.000 0.269 337 T C 1.926 176.658 174.700 0.053 0.000 1.042 337 T CA 1.564 63.750 62.100 0.143 0.000 1.140 337 T CB -0.492 68.483 68.868 0.179 0.000 0.864 337 T HN 0.723 nan 8.240 nan 0.000 0.455 338 G N 1.114 109.933 108.800 0.031 0.000 2.440 338 G HA2 -0.068 3.753 3.960 -0.230 0.000 0.218 338 G HA3 -0.068 3.753 3.960 -0.230 0.000 0.218 338 G C 1.727 176.601 174.900 -0.043 0.000 1.154 338 G CA 0.856 45.953 45.100 -0.006 0.000 0.767 338 G HN 0.612 nan 8.290 nan 0.000 0.552 339 A N -0.307 122.462 122.820 -0.084 0.000 2.072 339 A HA 0.378 4.560 4.320 -0.230 0.000 0.216 339 A C 2.355 179.882 177.584 -0.095 0.000 1.156 339 A CA 1.024 52.980 52.037 -0.134 0.000 0.701 339 A CB -0.141 18.708 19.000 -0.251 0.000 0.816 339 A HN 0.379 nan 8.150 nan 0.000 0.458 340 M N -0.401 119.172 119.600 -0.044 0.000 2.160 340 M HA 0.030 4.372 4.480 -0.230 0.000 0.264 340 M C 0.636 176.943 176.300 0.011 0.000 1.073 340 M CA 1.032 56.337 55.300 0.008 0.000 1.142 340 M CB 0.134 32.770 32.600 0.059 0.000 1.358 340 M HN 0.322 nan 8.290 nan 0.000 0.422 341 V N -2.956 116.961 119.914 0.004 0.000 2.769 341 V HA 0.773 4.755 4.120 -0.230 0.000 0.312 341 V C -0.715 175.374 176.094 -0.009 0.000 1.061 341 V CA -0.704 61.594 62.300 -0.002 0.000 0.931 341 V CB 1.860 33.683 31.823 -0.001 0.000 1.010 341 V HN 0.090 nan 8.190 nan 0.000 0.433 342 S N 3.374 119.067 115.700 -0.012 0.000 2.392 342 S HA 0.452 4.784 4.470 -0.230 0.000 0.246 342 S C -0.974 173.618 174.600 -0.014 0.000 0.999 342 S CA -0.194 57.998 58.200 -0.014 0.000 1.059 342 S CB 0.059 63.247 63.200 -0.019 0.000 1.194 342 S HN 1.272 nan 8.310 nan 0.000 0.421 343 N N 2.679 121.371 118.700 -0.012 0.000 2.732 343 N HA 0.395 4.997 4.740 -0.230 0.000 0.235 343 N C -0.356 175.149 175.510 -0.008 0.000 1.466 343 N CA -0.917 52.128 53.050 -0.009 0.000 0.751 343 N CB 1.196 39.678 38.487 -0.008 0.000 1.317 343 N HN 0.685 nan 8.380 nan 0.000 0.525 344 G N 1.053 109.847 108.800 -0.010 0.000 2.020 344 G HA2 0.066 3.888 3.960 -0.230 0.000 0.304 344 G HA3 0.066 3.888 3.960 -0.230 0.000 0.304 344 G C -1.027 173.863 174.900 -0.017 0.000 1.500 344 G CA -0.660 44.432 45.100 -0.013 0.000 1.120 344 G HN 0.295 nan 8.290 nan 0.000 0.555 345 Q N 2.927 122.715 119.800 -0.021 0.000 2.310 345 Q HA 0.252 4.454 4.340 -0.230 0.000 0.315 345 Q C -1.666 174.319 176.000 -0.024 0.000 1.081 345 Q CA -0.398 55.389 55.803 -0.026 0.000 0.981 345 Q CB 0.615 29.336 28.738 -0.027 0.000 1.184 345 Q HN 0.400 nan 8.270 nan 0.000 0.389 346 P HA 0.014 nan 4.420 nan 0.000 0.270 346 P C -0.774 176.515 177.300 -0.019 0.000 1.223 346 P CA 0.182 63.268 63.100 -0.024 0.000 0.785 346 P CB 0.671 32.345 31.700 -0.043 0.000 0.923 347 R N 0.515 121.013 120.500 -0.004 0.000 2.574 347 R HA 0.396 4.598 4.340 -0.230 0.000 0.266 347 R C 1.807 178.113 176.300 0.010 0.000 1.157 347 R CA -0.328 55.773 56.100 0.002 0.000 1.187 347 R CB -0.253 30.051 30.300 0.007 0.000 1.179 347 R HN 0.451 nan 8.270 nan 0.000 0.600 348 A N 0.439 123.268 122.820 0.016 0.000 1.940 348 A HA -0.237 3.945 4.320 -0.230 0.000 0.219 348 A C 1.987 179.591 177.584 0.033 0.000 1.176 348 A CA 1.555 53.599 52.037 0.012 0.000 0.631 348 A CB -0.715 18.292 19.000 0.011 0.000 0.814 348 A HN 0.816 nan 8.150 nan 0.000 0.446 349 Y N 0.833 121.103 120.300 -0.050 0.000 2.184 349 Y HA -0.130 4.281 4.550 -0.230 0.000 0.290 349 Y C 2.642 178.536 175.900 -0.010 0.000 1.129 349 Y CA 2.293 60.368 58.100 -0.041 0.000 1.144 349 Y CB -0.530 37.892 38.460 -0.063 0.000 0.995 349 Y HN 0.283 nan 8.280 nan 0.000 0.513 350 T N 1.242 115.828 114.554 0.052 0.000 2.867 350 T HA -0.135 4.077 4.350 -0.230 0.000 0.268 350 T C 1.970 176.601 174.700 -0.114 0.000 1.057 350 T CA 1.239 63.328 62.100 -0.018 0.000 1.136 350 T CB -0.248 68.653 68.868 0.054 0.000 0.874 350 T HN 0.283 nan 8.240 nan 0.000 0.466 351 R N 0.726 121.165 120.500 -0.101 0.000 2.073 351 R HA -0.022 4.180 4.340 -0.230 0.000 0.234 351 R C 2.334 178.545 176.300 -0.149 0.000 1.134 351 R CA 1.363 57.389 56.100 -0.124 0.000 0.952 351 R CB -0.433 29.814 30.300 -0.088 0.000 0.850 351 R HN 0.398 nan 8.270 nan 0.000 0.433 352 I N -0.117 120.360 120.570 -0.154 0.000 2.315 352 I HA -0.252 3.780 4.170 -0.230 0.000 0.248 352 I C 2.195 178.191 176.117 -0.201 0.000 1.117 352 I CA 0.950 62.144 61.300 -0.176 0.000 1.404 352 I CB -0.301 37.587 38.000 -0.186 0.000 1.071 352 I HN 0.141 nan 8.210 nan 0.000 0.419 353 F N 1.661 121.373 119.950 -0.396 0.000 2.113 353 F HA -0.178 4.210 4.527 -0.230 0.000 0.297 353 F C 2.544 178.190 175.800 -0.257 0.000 1.103 353 F CA 1.583 59.367 58.000 -0.360 0.000 1.248 353 F CB -0.227 38.495 39.000 -0.464 0.000 0.999 353 F HN -0.024 nan 8.300 nan 0.000 0.475 354 A N -0.613 122.093 122.820 -0.189 0.000 1.930 354 A HA -0.220 3.962 4.320 -0.230 0.000 0.217 354 A C 2.092 179.502 177.584 -0.290 0.000 1.175 354 A CA 1.791 53.551 52.037 -0.462 0.000 0.627 354 A CB -0.843 17.633 19.000 -0.872 0.000 0.815 354 A HN 0.530 nan 8.150 nan 0.000 0.443 355 E N -1.230 118.831 120.200 -0.232 0.000 2.481 355 E HA -0.036 4.176 4.350 -0.230 0.000 0.195 355 E C 1.308 177.814 176.600 -0.156 0.000 1.047 355 E CA 1.003 57.302 56.400 -0.168 0.000 0.867 355 E CB 0.137 29.752 29.700 -0.142 0.000 0.858 355 E HN 0.613 nan 8.360 nan 0.000 0.513 356 T N -0.079 114.352 114.554 -0.206 0.000 3.045 356 T HA 0.035 4.247 4.350 -0.230 0.000 0.239 356 T C 0.721 175.304 174.700 -0.195 0.000 1.008 356 T CA 0.455 62.435 62.100 -0.201 0.000 1.143 356 T CB 0.121 68.838 68.868 -0.252 0.000 0.894 356 T HN 0.116 nan 8.240 nan 0.000 0.451 357 V N 2.015 121.765 119.914 -0.274 0.000 2.788 357 V HA 0.201 4.182 4.120 -0.230 0.000 0.307 357 V C 0.203 176.260 176.094 -0.062 0.000 1.069 357 V CA -1.172 61.006 62.300 -0.203 0.000 1.173 357 V CB 0.288 31.960 31.823 -0.252 0.000 0.925 357 V HN 0.259 nan 8.190 nan 0.000 0.492 358 D N 4.908 125.303 120.400 -0.009 0.000 2.390 358 D HA 0.187 4.689 4.640 -0.230 0.000 0.249 358 D C -1.566 174.768 176.300 0.055 0.000 1.144 358 D CA -1.455 52.561 54.000 0.027 0.000 0.880 358 D CB 1.941 42.772 40.800 0.052 0.000 1.182 358 D HN 0.427 nan 8.370 nan 0.000 0.451 359 P HA -0.184 nan 4.420 nan 0.000 0.217 359 P C 1.412 178.761 177.300 0.082 0.000 1.148 359 P CA 1.307 64.449 63.100 0.071 0.000 0.834 359 P CB 0.079 31.812 31.700 0.054 0.000 0.783 360 S N -1.238 114.509 115.700 0.079 0.000 2.423 360 S HA -0.086 4.246 4.470 -0.230 0.000 0.231 360 S C 1.014 175.676 174.600 0.103 0.000 1.014 360 S CA 0.458 58.711 58.200 0.089 0.000 0.965 360 S CB -1.275 61.978 63.200 0.089 0.000 0.785 360 S HN 0.047 nan 8.310 nan 0.000 0.495 361 I N 2.023 122.657 120.570 0.108 0.000 2.634 361 I HA 0.199 4.231 4.170 -0.230 0.000 0.284 361 I C 0.558 176.731 176.117 0.093 0.000 1.124 361 I CA -0.192 61.178 61.300 0.118 0.000 1.417 361 I CB 0.538 38.618 38.000 0.133 0.000 1.396 361 I HN 0.203 nan 8.210 nan 0.000 0.571 362 E N 4.214 124.449 120.200 0.057 0.000 2.301 362 E HA 0.437 4.649 4.350 -0.230 0.000 0.275 362 E C -1.299 175.290 176.600 -0.019 0.000 1.030 362 E CA -0.300 56.082 56.400 -0.030 0.000 0.852 362 E CB 1.366 30.957 29.700 -0.182 0.000 1.060 362 E HN 0.268 nan 8.360 nan 0.000 0.401 363 V N 5.041 124.925 119.914 -0.049 0.000 2.577 363 V HA 0.355 4.337 4.120 -0.230 0.000 0.303 363 V C -0.359 175.717 176.094 -0.029 0.000 1.042 363 V CA -0.669 61.615 62.300 -0.028 0.000 0.872 363 V CB 1.646 33.398 31.823 -0.117 0.000 0.998 363 V HN 0.733 nan 8.190 nan 0.000 0.423 364 M N 4.790 124.410 119.600 0.033 0.000 2.264 364 M HA 0.558 4.900 4.480 -0.230 0.000 0.352 364 M C -0.900 175.550 176.300 0.250 0.000 1.173 364 M CA -0.185 55.194 55.300 0.131 0.000 1.075 364 M CB 1.573 34.242 32.600 0.114 0.000 1.621 364 M HN 0.871 nan 8.290 nan 0.000 0.457 365 W N 2.208 123.526 121.300 0.030 0.000 3.127 365 W HA 0.511 5.034 4.660 -0.230 0.000 0.330 365 W C 0.218 176.813 176.519 0.127 0.000 1.187 365 W CA -0.614 56.766 57.345 0.059 0.000 1.198 365 W CB 0.862 30.331 29.460 0.016 0.000 1.408 365 W HN 0.744 nan 8.180 nan 0.000 0.529 366 T N 0.925 115.331 114.554 -0.248 0.000 2.978 366 T HA 0.497 4.709 4.350 -0.230 0.000 0.262 366 T C 0.881 175.326 174.700 -0.424 0.000 1.063 366 T CA 1.172 63.109 62.100 -0.272 0.000 1.140 366 T CB -0.324 68.493 68.868 -0.086 0.000 0.886 366 T HN 1.713 nan 8.240 nan 0.000 0.470 367 G N 1.157 109.658 108.800 -0.498 0.000 2.302 367 G HA2 0.191 4.013 3.960 -0.230 0.000 0.264 367 G HA3 0.191 4.013 3.960 -0.230 0.000 0.264 367 G C -2.565 172.475 174.900 0.235 0.000 1.335 367 G CA -0.280 44.757 45.100 -0.105 0.000 0.982 367 G HN -0.081 nan 8.290 nan 0.000 0.473 368 P HA 0.111 nan 4.420 nan 0.000 0.217 368 P C 1.107 178.477 177.300 0.116 0.000 1.148 368 P CA 2.438 65.639 63.100 0.169 0.000 0.828 368 P CB 0.007 31.786 31.700 0.131 0.000 0.783 369 G N -2.758 106.101 108.800 0.098 0.000 2.798 369 G HA2 0.370 4.192 3.960 -0.230 0.000 0.286 369 G HA3 0.370 4.192 3.960 -0.230 0.000 0.286 369 G C 0.636 175.576 174.900 0.068 0.000 1.389 369 G CA -0.454 44.688 45.100 0.071 0.000 0.894 369 G HN -0.188 nan 8.290 nan 0.000 0.488 370 V N -0.570 119.399 119.914 0.092 0.000 2.244 370 V HA -0.018 3.964 4.120 -0.230 0.000 0.244 370 V C 1.102 177.202 176.094 0.010 0.000 1.042 370 V CA 1.139 63.512 62.300 0.121 0.000 1.006 370 V CB -0.399 31.561 31.823 0.229 0.000 0.641 370 V HN 0.308 nan 8.190 nan 0.000 0.446 371 V N 0.982 120.885 119.914 -0.020 0.000 2.266 371 V HA 0.417 4.399 4.120 -0.230 0.000 0.271 371 V C -0.099 175.872 176.094 -0.204 0.000 1.032 371 V CA 0.013 62.164 62.300 -0.248 0.000 0.806 371 V CB 0.753 32.246 31.823 -0.549 0.000 1.052 371 V HN 0.481 nan 8.190 nan 0.000 0.449 372 T N 2.327 116.795 114.554 -0.143 0.000 2.950 372 T HA 0.347 4.558 4.350 -0.230 0.000 0.288 372 T C 1.065 175.795 174.700 0.050 0.000 1.035 372 T CA -0.537 61.551 62.100 -0.019 0.000 1.028 372 T CB 1.537 70.448 68.868 0.072 0.000 1.109 372 T HN 0.513 nan 8.240 nan 0.000 0.514 373 N N 1.287 120.031 118.700 0.073 0.000 2.109 373 N HA 0.051 4.653 4.740 -0.230 0.000 0.188 373 N C 0.197 175.818 175.510 0.184 0.000 1.034 373 N CA 1.087 54.200 53.050 0.106 0.000 0.846 373 N CB 0.156 38.675 38.487 0.053 0.000 1.010 373 N HN 0.672 nan 8.380 nan 0.000 0.425 374 E N -0.085 120.196 120.200 0.136 0.000 2.299 374 E HA 0.501 4.713 4.350 -0.230 0.000 0.265 374 E C -0.586 176.066 176.600 0.087 0.000 0.911 374 E CA -0.512 55.931 56.400 0.070 0.000 0.789 374 E CB 2.540 32.248 29.700 0.013 0.000 1.246 374 E HN -0.006 nan 8.360 nan 0.000 0.427 375 I N 3.002 123.565 120.570 -0.012 0.000 2.555 375 I HA 0.251 4.283 4.170 -0.230 0.000 0.275 375 I C -2.424 173.715 176.117 0.038 0.000 1.082 375 I CA -2.063 59.248 61.300 0.019 0.000 1.167 375 I CB 0.933 38.882 38.000 -0.086 0.000 1.312 375 I HN 0.104 nan 8.210 nan 0.000 0.493 376 P HA 0.089 nan 4.420 nan 0.000 0.274 376 P C 0.720 178.069 177.300 0.083 0.000 1.237 376 P CA -0.507 62.629 63.100 0.060 0.000 0.793 376 P CB 1.242 32.972 31.700 0.050 0.000 0.977 377 L N 2.258 123.531 121.223 0.083 0.000 2.131 377 L HA -0.196 4.006 4.340 -0.230 0.000 0.210 377 L C 2.167 179.037 176.870 -0.001 0.000 1.092 377 L CA 2.273 57.169 54.840 0.093 0.000 0.759 377 L CB -1.339 40.804 42.059 0.141 0.000 0.903 377 L HN 0.431 nan 8.230 nan 0.000 0.435 378 S N -1.674 114.032 115.700 0.010 0.000 2.383 378 S HA -0.258 4.074 4.470 -0.230 0.000 0.229 378 S C 1.835 176.408 174.600 -0.045 0.000 1.030 378 S CA 1.359 59.545 58.200 -0.023 0.000 1.002 378 S CB -0.847 62.356 63.200 0.006 0.000 0.829 378 S HN 0.602 nan 8.310 nan 0.000 0.467 379 D N 1.994 122.403 120.400 0.014 0.000 2.144 379 D HA 0.075 4.577 4.640 -0.230 0.000 0.200 379 D C 2.047 178.351 176.300 0.006 0.000 0.978 379 D CA 1.184 55.218 54.000 0.055 0.000 0.833 379 D CB -0.489 40.409 40.800 0.164 0.000 0.961 379 D HN 0.483 nan 8.370 nan 0.000 0.470 380 A N 0.069 122.887 122.820 -0.003 0.000 1.933 380 A HA -0.213 3.968 4.320 -0.230 0.000 0.218 380 A C 2.163 179.409 177.584 -0.565 0.000 1.175 380 A CA 1.623 53.577 52.037 -0.139 0.000 0.628 380 A CB -0.768 18.248 19.000 0.026 0.000 0.814 380 A HN 0.381 nan 8.150 nan 0.000 0.444 381 Q N -1.068 118.325 119.800 -0.679 0.000 2.167 381 Q HA -0.141 4.061 4.340 -0.230 0.000 0.202 381 Q C 1.946 177.748 176.000 -0.330 0.000 0.970 381 Q CA 1.431 56.809 55.803 -0.708 0.000 0.855 381 Q CB -0.168 28.312 28.738 -0.429 0.000 0.911 381 Q HN 0.550 nan 8.270 nan 0.000 0.438 382 L N 0.184 121.269 121.223 -0.229 0.000 2.005 382 L HA -0.133 4.069 4.340 -0.230 0.000 0.207 382 L C 1.906 178.680 176.870 -0.160 0.000 1.072 382 L CA 1.494 56.248 54.840 -0.142 0.000 0.744 382 L CB -0.389 41.619 42.059 -0.086 0.000 0.895 382 L HN 0.228 nan 8.230 nan 0.000 0.433 383 I N -1.116 119.295 120.570 -0.265 0.000 2.202 383 I HA -0.211 3.821 4.170 -0.230 0.000 0.242 383 I C 2.741 178.725 176.117 -0.222 0.000 1.091 383 I CA 1.614 62.712 61.300 -0.336 0.000 1.368 383 I CB -0.806 36.666 38.000 -0.879 0.000 1.058 383 I HN 0.281 nan 8.210 nan 0.000 0.410 384 S N 0.249 115.776 115.700 -0.289 0.000 2.419 384 S HA -0.111 4.221 4.470 -0.230 0.000 0.233 384 S C 2.227 176.831 174.600 0.007 0.000 1.016 384 S CA 1.337 59.474 58.200 -0.104 0.000 0.974 384 S CB -0.729 62.456 63.200 -0.025 0.000 0.786 384 S HN 0.549 nan 8.310 nan 0.000 0.492 385 G N 1.173 109.949 108.800 -0.041 0.000 2.422 385 G HA2 -0.074 3.748 3.960 -0.230 0.000 0.218 385 G HA3 -0.074 3.748 3.960 -0.230 0.000 0.218 385 G C 1.353 176.251 174.900 -0.004 0.000 1.140 385 G CA 0.765 45.860 45.100 -0.008 0.000 0.775 385 G HN 0.577 nan 8.290 nan 0.000 0.545 386 I N -1.002 119.564 120.570 -0.007 0.000 2.233 386 I HA -0.085 3.947 4.170 -0.230 0.000 0.243 386 I C 2.235 178.290 176.117 -0.105 0.000 1.093 386 I CA 0.888 62.152 61.300 -0.060 0.000 1.380 386 I CB -0.130 37.826 38.000 -0.073 0.000 1.067 386 I HN 0.108 nan 8.210 nan 0.000 0.413 387 Y N 0.002 120.273 120.300 -0.048 0.000 2.475 387 Y HA 0.023 4.436 4.550 -0.230 0.000 0.289 387 Y C 1.203 177.099 175.900 -0.006 0.000 1.121 387 Y CA 0.236 58.326 58.100 -0.017 0.000 1.257 387 Y CB -0.165 38.288 38.460 -0.012 0.000 1.026 387 Y HN 0.203 nan 8.280 nan 0.000 0.555 388 N N 0.824 119.599 118.700 0.126 0.000 2.754 388 N HA -0.218 4.384 4.740 -0.230 0.000 0.248 388 N C -0.483 175.088 175.510 0.102 0.000 1.093 388 N CA 1.073 54.175 53.050 0.087 0.000 0.699 388 N CB -0.747 37.768 38.487 0.047 0.000 1.016 388 N HN 0.647 nan 8.380 nan 0.000 0.552 389 R N -1.754 118.820 120.500 0.124 0.000 2.766 389 R HA 0.407 4.609 4.340 -0.230 0.000 0.270 389 R C -1.106 175.257 176.300 0.105 0.000 1.035 389 R CA -0.910 55.255 56.100 0.109 0.000 0.911 389 R CB 0.316 30.685 30.300 0.114 0.000 1.243 389 R HN -0.110 nan 8.270 nan 0.000 0.460 390 N N 1.717 120.479 118.700 0.105 0.000 2.405 390 N HA 0.125 4.727 4.740 -0.230 0.000 0.260 390 N C -0.289 175.293 175.510 0.120 0.000 1.152 390 N CA 0.132 53.258 53.050 0.127 0.000 0.948 390 N CB 0.636 39.199 38.487 0.127 0.000 1.111 390 N HN 0.398 nan 8.380 nan 0.000 0.485 391 M N 1.222 120.890 119.600 0.113 0.000 2.255 391 M HA 0.299 4.641 4.480 -0.230 0.000 0.336 391 M C 0.631 177.101 176.300 0.282 0.000 1.135 391 M CA -0.645 54.716 55.300 0.102 0.000 1.145 391 M CB 0.765 33.319 32.600 -0.077 0.000 1.473 391 M HN 0.376 nan 8.290 nan 0.000 0.462 392 A N 2.041 124.994 122.820 0.222 0.000 2.304 392 A HA 0.622 4.804 4.320 -0.230 0.000 0.301 392 A C -0.657 177.120 177.584 0.322 0.000 1.132 392 A CA -0.650 51.530 52.037 0.237 0.000 0.819 392 A CB 1.042 19.931 19.000 -0.184 0.000 1.094 392 A HN 0.662 nan 8.150 nan 0.000 0.492 393 V N 3.072 123.107 119.914 0.202 0.000 2.459 393 V HA 0.566 4.548 4.120 -0.230 0.000 0.295 393 V C -1.319 174.743 176.094 -0.054 0.000 1.029 393 V CA -0.662 61.589 62.300 -0.082 0.000 0.874 393 V CB 1.475 33.125 31.823 -0.288 0.000 0.985 393 V HN 0.872 nan 8.190 nan 0.000 0.438 394 W N 8.659 129.820 121.300 -0.232 0.000 2.309 394 W HA 0.326 4.849 4.660 -0.228 0.000 0.332 394 W C -0.696 175.755 176.519 -0.112 0.000 0.962 394 W CA -1.737 55.505 57.345 -0.173 0.000 1.497 394 W CB 0.984 30.323 29.460 -0.203 0.000 1.308 394 W HN 0.769 nan 8.180 nan 0.000 0.384 395 W N 7.955 129.198 121.300 -0.095 0.000 2.387 395 W HA 0.141 4.662 4.660 -0.231 0.000 0.310 395 W C -0.111 176.503 176.519 0.159 0.000 1.181 395 W CA -0.322 56.986 57.345 -0.060 0.000 1.333 395 W CB 0.732 30.056 29.460 -0.227 0.000 1.286 395 W HN 0.213 nan 8.180 nan 0.000 0.455 396 N N 6.537 125.044 118.700 -0.322 0.000 3.178 396 N HA 0.017 4.618 4.740 -0.230 0.000 0.300 396 N C -1.579 173.752 175.510 -0.298 0.000 1.242 396 N CA 0.391 53.337 53.050 -0.172 0.000 1.192 396 N CB -0.255 38.175 38.487 -0.095 0.000 1.463 396 N HN 0.417 nan 8.380 nan 0.000 0.539 397 Y N 0.624 120.701 120.300 -0.372 0.000 2.424 397 Y HA 0.259 4.670 4.550 -0.231 0.000 0.323 397 Y C -2.271 173.675 175.900 0.077 0.000 1.174 397 Y CA -1.439 56.559 58.100 -0.171 0.000 1.060 397 Y CB 2.333 40.638 38.460 -0.258 0.000 1.314 397 Y HN 0.080 nan 8.280 nan 0.000 0.439 398 P HA 0.007 nan 4.420 nan 0.000 0.257 398 P C 0.218 177.327 177.300 -0.317 0.000 1.325 398 P CA 0.349 63.081 63.100 -0.613 0.000 0.850 398 P CB 0.296 31.788 31.700 -0.346 0.000 1.324 399 V N 2.524 122.372 119.914 -0.110 0.000 2.726 399 V HA -0.072 3.909 4.120 -0.230 0.000 0.304 399 V C 1.007 177.010 176.094 -0.153 0.000 1.115 399 V CA 1.892 64.165 62.300 -0.046 0.000 1.264 399 V CB -0.092 31.808 31.823 0.129 0.000 0.867 399 V HN 0.404 nan 8.190 nan 0.000 0.498 400 T N 0.957 115.369 114.554 -0.237 0.000 3.331 400 T HA 0.232 4.444 4.350 -0.230 0.000 0.282 400 T C 0.598 175.093 174.700 -0.341 0.000 1.010 400 T CA 0.169 62.001 62.100 -0.446 0.000 0.928 400 T CB -0.043 68.678 68.868 -0.244 0.000 1.154 400 T HN 0.835 nan 8.240 nan 0.000 0.516 401 D N 1.125 121.445 120.400 -0.133 0.000 2.312 401 D HA -0.137 4.365 4.640 -0.230 0.000 0.211 401 D C 1.506 177.882 176.300 0.127 0.000 0.964 401 D CA 0.718 54.776 54.000 0.097 0.000 0.877 401 D CB -0.602 40.401 40.800 0.338 0.000 0.924 401 D HN 0.726 nan 8.370 nan 0.000 0.515 402 Y N -1.920 118.480 120.300 0.166 0.000 2.397 402 Y HA 0.318 4.730 4.550 -0.230 0.000 0.292 402 Y C 0.429 176.443 175.900 0.190 0.000 1.115 402 Y CA -0.549 57.661 58.100 0.184 0.000 1.208 402 Y CB -0.251 38.284 38.460 0.125 0.000 1.046 402 Y HN -0.094 nan 8.280 nan 0.000 0.552 403 F N 2.264 121.943 119.950 -0.451 0.000 2.686 403 F HA 0.458 4.846 4.527 -0.231 0.000 0.365 403 F C 0.667 176.300 175.800 -0.278 0.000 1.196 403 F CA -1.670 56.165 58.000 -0.276 0.000 1.198 403 F CB 0.714 39.573 39.000 -0.235 0.000 1.454 403 F HN -0.148 nan 8.300 nan 0.000 0.539 404 K N 1.313 121.553 120.400 -0.267 0.000 2.283 404 K HA -0.031 4.151 4.320 -0.230 0.000 0.202 404 K C 2.131 178.622 176.600 -0.182 0.000 1.048 404 K CA 0.999 57.217 56.287 -0.115 0.000 0.948 404 K CB 0.011 32.562 32.500 0.085 0.000 0.742 404 K HN 0.739 nan 8.250 nan 0.000 0.458 405 G N 1.855 110.283 108.800 -0.621 0.000 2.404 405 G HA2 -0.212 3.609 3.960 -0.230 0.000 0.215 405 G HA3 -0.212 3.609 3.960 -0.230 0.000 0.215 405 G C 0.552 175.248 174.900 -0.340 0.000 1.174 405 G CA 0.299 44.933 45.100 -0.776 0.000 0.780 405 G HN 0.170 nan 8.290 nan 0.000 0.537 406 K N -0.014 120.257 120.400 -0.214 0.000 2.118 406 K HA 0.535 4.717 4.320 -0.230 0.000 0.267 406 K C -0.390 176.192 176.600 -0.029 0.000 0.991 406 K CA -0.568 55.713 56.287 -0.010 0.000 0.916 406 K CB 0.747 33.371 32.500 0.207 0.000 1.041 406 K HN 0.035 nan 8.250 nan 0.000 0.455 407 L N 2.136 123.332 121.223 -0.045 0.000 2.379 407 L HA 0.494 4.696 4.340 -0.230 0.000 0.269 407 L C -0.241 176.578 176.870 -0.086 0.000 1.084 407 L CA -0.868 53.930 54.840 -0.070 0.000 0.802 407 L CB 1.730 43.745 42.059 -0.073 0.000 1.175 407 L HN 0.712 nan 8.230 nan 0.000 0.448 408 A N 3.531 126.280 122.820 -0.118 0.000 2.328 408 A HA 0.626 4.808 4.320 -0.230 0.000 0.318 408 A C -0.133 177.408 177.584 -0.071 0.000 1.347 408 A CA -0.358 51.565 52.037 -0.190 0.000 0.842 408 A CB 0.140 18.829 19.000 -0.518 0.000 1.148 408 A HN 0.755 nan 8.150 nan 0.000 0.499 409 L N 2.833 124.095 121.223 0.065 0.000 3.168 409 L HA 0.326 4.528 4.340 -0.230 0.000 0.277 409 L C 1.090 178.200 176.870 0.400 0.000 1.245 409 L CA -0.217 54.745 54.840 0.202 0.000 1.035 409 L CB 0.565 42.705 42.059 0.135 0.000 1.399 409 L HN 0.721 nan 8.230 nan 0.000 0.580 410 G N 0.473 109.522 108.800 0.415 0.000 2.535 410 G HA2 0.579 4.401 3.960 -0.230 0.000 0.303 410 G HA3 0.579 4.401 3.960 -0.230 0.000 0.303 410 G C -2.647 172.556 174.900 0.505 0.000 1.237 410 G CA -0.978 44.324 45.100 0.336 0.000 0.986 410 G HN -0.165 nan 8.290 nan 0.000 0.494 411 P HA 0.258 nan 4.420 nan 0.000 0.306 411 P C -0.197 177.256 177.300 0.256 0.000 1.309 411 P CA -0.620 62.738 63.100 0.430 0.000 0.759 411 P CB 0.747 32.741 31.700 0.490 0.000 1.314 412 M N 0.855 120.624 119.600 0.282 0.000 2.455 412 M HA 0.138 4.480 4.480 -0.230 0.000 0.331 412 M C 0.169 176.451 176.300 -0.029 0.000 1.481 412 M CA 0.471 55.798 55.300 0.045 0.000 1.362 412 M CB -1.888 30.567 32.600 -0.242 0.000 1.564 412 M HN 0.454 nan 8.290 nan 0.000 0.458 413 H N 0.537 119.472 119.070 -0.225 0.000 2.492 413 H HA 0.588 5.006 4.556 -0.231 0.000 0.345 413 H C 1.044 176.219 175.328 -0.255 0.000 1.136 413 H CA 1.243 57.082 56.048 -0.348 0.000 1.202 413 H CB 1.270 30.766 29.762 -0.442 0.000 1.524 413 H HN 0.836 nan 8.280 nan 0.000 0.506 414 G N 3.383 111.763 108.800 -0.699 0.000 2.241 414 G HA2 -0.255 3.567 3.960 -0.230 0.000 0.244 414 G HA3 -0.255 3.567 3.960 -0.230 0.000 0.244 414 G C -0.059 174.657 174.900 -0.308 0.000 0.998 414 G CA 0.113 44.972 45.100 -0.402 0.000 0.621 414 G HN 0.625 nan 8.290 nan 0.000 0.519 415 L N 1.835 122.798 121.223 -0.435 0.000 2.410 415 L HA 0.315 4.517 4.340 -0.230 0.000 0.273 415 L C 0.584 177.371 176.870 -0.139 0.000 1.152 415 L CA -0.582 54.003 54.840 -0.425 0.000 0.855 415 L CB 0.567 42.138 42.059 -0.813 0.000 1.129 415 L HN 0.158 nan 8.230 nan 0.000 0.463 416 D N 2.700 123.090 120.400 -0.018 0.000 2.414 416 D HA -0.016 4.486 4.640 -0.230 0.000 0.242 416 D C 0.729 177.126 176.300 0.162 0.000 1.129 416 D CA 0.094 54.136 54.000 0.072 0.000 0.885 416 D CB 1.157 42.006 40.800 0.081 0.000 1.198 416 D HN 0.434 nan 8.370 nan 0.000 0.437 417 K N 1.380 121.865 120.400 0.143 0.000 2.439 417 K HA 0.035 4.216 4.320 -0.230 0.000 0.197 417 K C 1.323 177.946 176.600 0.038 0.000 1.041 417 K CA 0.440 56.801 56.287 0.123 0.000 0.970 417 K CB 0.365 32.940 32.500 0.124 0.000 0.773 417 K HN 0.383 nan 8.250 nan 0.000 0.479 418 G N 0.563 109.404 108.800 0.068 0.000 3.820 418 G HA2 0.051 3.872 3.960 -0.230 0.000 0.293 418 G HA3 0.051 3.872 3.960 -0.230 0.000 0.293 418 G C 0.674 175.635 174.900 0.101 0.000 1.152 418 G CA -0.278 44.856 45.100 0.056 0.000 0.921 418 G HN 0.057 nan 8.290 nan 0.000 0.544 419 L N 1.078 122.366 121.223 0.109 0.000 2.395 419 L HA 0.057 4.259 4.340 -0.230 0.000 0.218 419 L C 2.447 179.411 176.870 0.156 0.000 1.130 419 L CA 1.423 56.377 54.840 0.190 0.000 0.826 419 L CB -0.311 41.895 42.059 0.244 0.000 0.941 419 L HN 0.495 nan 8.230 nan 0.000 0.451 420 N N -1.557 117.161 118.700 0.030 0.000 2.364 420 N HA -0.279 4.323 4.740 -0.230 0.000 0.183 420 N C 1.742 177.256 175.510 0.007 0.000 1.022 420 N CA 1.226 54.274 53.050 -0.002 0.000 0.883 420 N CB -0.427 38.005 38.487 -0.092 0.000 0.965 420 N HN 0.523 nan 8.380 nan 0.000 0.438 421 Q N -0.488 119.304 119.800 -0.014 0.000 2.030 421 Q HA -0.172 4.030 4.340 -0.230 0.000 0.204 421 Q C 0.817 176.674 176.000 -0.238 0.000 0.986 421 Q CA 1.656 57.356 55.803 -0.172 0.000 0.843 421 Q CB -0.113 28.461 28.738 -0.273 0.000 0.904 421 Q HN 0.667 nan 8.270 nan 0.000 0.420 422 Y N -1.325 119.024 120.300 0.082 0.000 2.462 422 Y HA 0.248 4.660 4.550 -0.230 0.000 0.261 422 Y C -0.262 175.717 175.900 0.132 0.000 1.146 422 Y CA -0.460 57.692 58.100 0.087 0.000 1.283 422 Y CB 1.244 39.749 38.460 0.075 0.000 1.090 422 Y HN -0.138 nan 8.280 nan 0.000 0.526 423 V N 0.201 120.287 119.914 0.287 0.000 2.531 423 V HA 0.254 4.235 4.120 -0.230 0.000 0.301 423 V C -0.953 175.274 176.094 0.222 0.000 1.034 423 V CA -0.803 61.680 62.300 0.305 0.000 0.865 423 V CB 1.956 34.014 31.823 0.393 0.000 0.995 423 V HN -0.015 nan 8.190 nan 0.000 0.424 424 D N 3.007 123.548 120.400 0.236 0.000 2.895 424 D HA 0.358 4.860 4.640 -0.230 0.000 0.350 424 D C -1.046 175.423 176.300 0.282 0.000 1.389 424 D CA 0.047 54.159 54.000 0.187 0.000 0.812 424 D CB 0.242 41.121 40.800 0.133 0.000 1.164 424 D HN 0.377 nan 8.370 nan 0.000 0.455 425 F N 1.074 121.120 119.950 0.161 0.000 3.055 425 F HA 0.330 4.720 4.527 -0.229 0.000 0.358 425 F C -2.169 173.749 175.800 0.196 0.000 1.262 425 F CA -0.982 57.112 58.000 0.156 0.000 1.172 425 F CB 0.747 39.824 39.000 0.128 0.000 1.503 425 F HN -0.181 nan 8.300 nan 0.000 0.621 426 F N 4.949 124.910 119.950 0.020 0.000 2.482 426 F HA 0.763 5.152 4.527 -0.230 0.000 0.331 426 F C -0.574 175.238 175.800 0.020 0.000 1.115 426 F CA -0.156 57.891 58.000 0.079 0.000 0.955 426 F CB 1.739 40.767 39.000 0.048 0.000 1.136 426 F HN 0.445 nan 8.300 nan 0.000 0.452 427 T N 3.088 117.492 114.554 -0.250 0.000 2.923 427 T HA 0.671 4.883 4.350 -0.230 0.000 0.311 427 T C -1.062 173.489 174.700 -0.248 0.000 1.183 427 T CA -0.886 61.127 62.100 -0.146 0.000 1.020 427 T CB 1.100 69.894 68.868 -0.125 0.000 1.165 427 T HN 0.651 nan 8.240 nan 0.000 0.482 428 V N -0.272 119.616 119.914 -0.043 0.000 2.715 428 V HA 0.780 4.762 4.120 -0.230 0.000 0.310 428 V C -0.525 175.561 176.094 -0.013 0.000 1.054 428 V CA -1.042 61.309 62.300 0.084 0.000 0.928 428 V CB 1.777 33.806 31.823 0.343 0.000 1.007 428 V HN 0.907 nan 8.190 nan 0.000 0.437 429 N N 4.883 123.602 118.700 0.032 0.000 2.414 429 N HA 0.555 5.157 4.740 -0.230 0.000 0.256 429 N C -2.481 173.104 175.510 0.124 0.000 1.029 429 N CA -1.836 51.252 53.050 0.063 0.000 0.948 429 N CB 1.413 40.059 38.487 0.265 0.000 1.102 429 N HN 0.646 nan 8.380 nan 0.000 0.496 430 P HA 0.238 nan 4.420 nan 0.000 0.281 430 P C -0.153 177.088 177.300 -0.098 0.000 1.281 430 P CA -0.448 62.733 63.100 0.135 0.000 0.811 430 P CB 1.127 33.031 31.700 0.340 0.000 1.154 431 M N 0.377 119.913 119.600 -0.106 0.000 2.202 431 M HA 0.090 4.432 4.480 -0.230 0.000 0.316 431 M C 1.848 177.734 176.300 -0.689 0.000 1.138 431 M CA 0.101 55.223 55.300 -0.296 0.000 1.151 431 M CB 0.251 32.831 32.600 -0.034 0.000 1.422 431 M HN 0.463 nan 8.290 nan 0.000 0.471 432 E N -0.042 119.619 120.200 -0.899 0.000 2.338 432 E HA -0.116 4.096 4.350 -0.230 0.000 0.197 432 E C -0.184 176.310 176.600 -0.175 0.000 1.007 432 E CA 0.975 56.889 56.400 -0.810 0.000 0.849 432 E CB -0.168 29.222 29.700 -0.517 0.000 0.774 432 E HN 0.515 nan 8.360 nan 0.000 0.506 433 H N 0.576 119.666 119.070 0.033 0.000 2.911 433 H HA 0.320 4.738 4.556 -0.231 0.000 0.273 433 H C 0.578 175.947 175.328 0.068 0.000 1.157 433 H CA 0.298 56.384 56.048 0.063 0.000 1.402 433 H CB 1.459 31.235 29.762 0.024 0.000 1.463 433 H HN 0.248 nan 8.280 nan 0.000 0.475 434 A N 3.362 126.187 122.820 0.009 0.000 1.897 434 A HA -0.155 4.027 4.320 -0.230 0.000 0.215 434 A C 2.283 179.707 177.584 -0.267 0.000 1.181 434 A CA 1.188 53.014 52.037 -0.352 0.000 0.620 434 A CB -0.009 18.358 19.000 -1.055 0.000 0.821 434 A HN 0.576 nan 8.150 nan 0.000 0.443 435 E N -0.073 120.016 120.200 -0.185 0.000 2.077 435 E HA -0.130 4.082 4.350 -0.230 0.000 0.193 435 E C 1.525 178.056 176.600 -0.116 0.000 0.989 435 E CA 1.177 57.468 56.400 -0.183 0.000 0.800 435 E CB -0.319 29.309 29.700 -0.120 0.000 0.746 435 E HN 0.395 nan 8.360 nan 0.000 0.452 436 L N 0.247 121.468 121.223 -0.003 0.000 2.395 436 L HA 0.070 4.272 4.340 -0.230 0.000 0.218 436 L C 2.103 179.017 176.870 0.074 0.000 1.130 436 L CA 0.916 55.795 54.840 0.065 0.000 0.826 436 L CB -0.242 41.875 42.059 0.097 0.000 0.941 436 L HN 0.001 nan 8.230 nan 0.000 0.451 437 S N -0.681 115.059 115.700 0.066 0.000 2.474 437 S HA -0.132 4.200 4.470 -0.230 0.000 0.235 437 S C 1.853 176.532 174.600 0.131 0.000 0.997 437 S CA 0.734 59.014 58.200 0.133 0.000 0.949 437 S CB -0.173 63.167 63.200 0.233 0.000 0.766 437 S HN 0.434 nan 8.310 nan 0.000 0.517 438 K N 1.022 121.399 120.400 -0.038 0.000 2.209 438 K HA 0.032 4.214 4.320 -0.230 0.000 0.204 438 K C 1.724 178.450 176.600 0.209 0.000 1.048 438 K CA 0.948 57.142 56.287 -0.154 0.000 0.940 438 K CB -0.256 31.835 32.500 -0.682 0.000 0.729 438 K HN 0.386 nan 8.250 nan 0.000 0.451 439 I N 1.080 121.772 120.570 0.203 0.000 2.252 439 I HA -0.277 3.755 4.170 -0.230 0.000 0.245 439 I C 2.523 178.874 176.117 0.390 0.000 1.102 439 I CA 1.420 62.882 61.300 0.271 0.000 1.385 439 I CB -0.398 37.746 38.000 0.241 0.000 1.064 439 I HN 0.193 nan 8.210 nan 0.000 0.414 440 S N 1.043 116.981 115.700 0.398 0.000 2.387 440 S HA -0.047 4.284 4.470 -0.230 0.000 0.226 440 S C 2.011 176.901 174.600 0.483 0.000 1.026 440 S CA 0.616 59.103 58.200 0.478 0.000 0.972 440 S CB -0.775 62.715 63.200 0.483 0.000 0.814 440 S HN 0.356 nan 8.310 nan 0.000 0.477 441 I N 1.937 122.793 120.570 0.476 0.000 2.286 441 I HA -0.230 3.802 4.170 -0.230 0.000 0.248 441 I C 2.962 179.375 176.117 0.494 0.000 1.115 441 I CA 1.764 63.372 61.300 0.513 0.000 1.392 441 I CB -0.582 37.792 38.000 0.623 0.000 1.065 441 I HN 0.447 nan 8.210 nan 0.000 0.418 442 H N 1.261 120.600 119.070 0.449 0.000 2.353 442 H HA -0.203 4.214 4.556 -0.233 0.000 0.298 442 H C 2.337 177.829 175.328 0.273 0.000 1.103 442 H CA 2.379 58.626 56.048 0.332 0.000 1.293 442 H CB -0.029 29.934 29.762 0.336 0.000 1.372 442 H HN 0.436 nan 8.280 nan 0.000 0.501 443 T N -1.825 113.030 114.554 0.501 0.000 2.951 443 T HA 0.094 4.306 4.350 -0.230 0.000 0.268 443 T C 2.239 177.140 174.700 0.335 0.000 1.073 443 T CA 0.997 63.382 62.100 0.475 0.000 1.134 443 T CB -0.504 68.686 68.868 0.538 0.000 0.884 443 T HN 0.370 nan 8.240 nan 0.000 0.479 444 A N 1.768 124.759 122.820 0.285 0.000 1.933 444 A HA 0.352 4.534 4.320 -0.230 0.000 0.218 444 A C 2.803 180.422 177.584 0.057 0.000 1.175 444 A CA 1.695 53.833 52.037 0.168 0.000 0.628 444 A CB -1.337 17.855 19.000 0.320 0.000 0.814 444 A HN 0.741 nan 8.150 nan 0.000 0.444 445 A N -0.176 122.691 122.820 0.079 0.000 1.902 445 A HA -0.192 3.990 4.320 -0.230 0.000 0.217 445 A C 1.847 179.438 177.584 0.011 0.000 1.181 445 A CA 2.101 54.140 52.037 0.003 0.000 0.623 445 A CB -0.659 18.277 19.000 -0.107 0.000 0.818 445 A HN 0.539 nan 8.150 nan 0.000 0.443 446 D N -2.481 117.954 120.400 0.059 0.000 2.183 446 D HA -0.143 4.358 4.640 -0.230 0.000 0.203 446 D C 1.667 178.066 176.300 0.164 0.000 0.969 446 D CA 1.179 55.267 54.000 0.147 0.000 0.842 446 D CB -0.165 40.795 40.800 0.267 0.000 0.957 446 D HN 0.523 nan 8.370 nan 0.000 0.484 447 Y N 0.857 121.050 120.300 -0.179 0.000 2.133 447 Y HA -0.168 4.243 4.550 -0.231 0.000 0.287 447 Y C 2.510 178.154 175.900 -0.427 0.000 1.134 447 Y CA 2.195 59.918 58.100 -0.627 0.000 1.133 447 Y CB -0.709 37.115 38.460 -1.059 0.000 0.987 447 Y HN 0.059 nan 8.280 nan 0.000 0.502 448 S N 0.177 115.620 115.700 -0.429 0.000 2.368 448 S HA -0.242 4.089 4.470 -0.230 0.000 0.225 448 S C 2.044 176.484 174.600 -0.267 0.000 1.030 448 S CA 1.154 59.075 58.200 -0.464 0.000 0.999 448 S CB -1.388 61.598 63.200 -0.357 0.000 0.844 448 S HN 0.744 nan 8.310 nan 0.000 0.459 449 W N 2.839 123.967 121.300 -0.286 0.000 2.408 449 W HA 0.217 4.743 4.660 -0.224 0.000 0.311 449 W C 0.299 176.670 176.519 -0.247 0.000 1.190 449 W CA 1.146 58.351 57.345 -0.233 0.000 1.321 449 W CB -0.452 28.892 29.460 -0.194 0.000 1.143 449 W HN 0.340 nan 8.180 nan 0.000 0.501 450 N N 0.780 119.530 118.700 0.084 0.000 2.851 450 N HA 0.115 4.717 4.740 -0.230 0.000 0.248 450 N C 0.586 176.052 175.510 -0.072 0.000 1.221 450 N CA -0.026 53.021 53.050 -0.004 0.000 0.847 450 N CB 0.153 38.697 38.487 0.096 0.000 1.150 450 N HN 0.024 nan 8.380 nan 0.000 0.507 451 M N 0.956 120.425 119.600 -0.219 0.000 2.248 451 M HA -0.071 4.271 4.480 -0.230 0.000 0.265 451 M C 1.068 177.311 176.300 -0.095 0.000 1.079 451 M CA 1.384 56.489 55.300 -0.324 0.000 1.150 451 M CB 0.179 32.462 32.600 -0.527 0.000 1.366 451 M HN 0.399 nan 8.290 nan 0.000 0.433 452 D N -0.651 119.706 120.400 -0.072 0.000 2.264 452 D HA -0.168 4.334 4.640 -0.230 0.000 0.208 452 D C 0.525 176.842 176.300 0.028 0.000 0.966 452 D CA 0.975 54.966 54.000 -0.014 0.000 0.864 452 D CB -0.744 40.039 40.800 -0.027 0.000 0.933 452 D HN 0.369 nan 8.370 nan 0.000 0.499 453 N N -0.654 118.068 118.700 0.036 0.000 2.214 453 N HA -0.009 4.593 4.740 -0.230 0.000 0.214 453 N C -0.415 175.151 175.510 0.092 0.000 1.132 453 N CA -0.354 52.724 53.050 0.047 0.000 0.856 453 N CB -0.001 38.497 38.487 0.019 0.000 1.020 453 N HN 0.280 nan 8.380 nan 0.000 0.509 454 Y N 1.936 122.247 120.300 0.019 0.000 2.425 454 Y HA 0.161 4.572 4.550 -0.231 0.000 0.331 454 Y C -0.185 175.768 175.900 0.089 0.000 1.157 454 Y CA 0.076 58.219 58.100 0.073 0.000 1.372 454 Y CB 0.572 39.113 38.460 0.134 0.000 1.253 454 Y HN -0.096 nan 8.280 nan 0.000 0.536 455 D N 5.209 125.230 120.400 -0.632 0.000 2.620 455 D HA 0.035 4.537 4.640 -0.230 0.000 0.252 455 D C 0.041 175.865 176.300 -0.794 0.000 1.207 455 D CA -0.476 53.193 54.000 -0.552 0.000 0.884 455 D CB 0.614 41.235 40.800 -0.298 0.000 1.262 455 D HN 0.665 nan 8.370 nan 0.000 0.552 456 Y N 2.371 122.331 120.300 -0.567 0.000 2.242 456 Y HA -0.034 4.378 4.550 -0.231 0.000 0.291 456 Y C 1.583 177.485 175.900 0.002 0.000 1.137 456 Y CA 1.195 59.157 58.100 -0.231 0.000 1.181 456 Y CB -0.328 38.207 38.460 0.125 0.000 0.989 456 Y HN 0.270 nan 8.280 nan 0.000 0.527 457 D N 0.554 120.665 120.400 -0.482 0.000 2.117 457 D HA -0.146 4.356 4.640 -0.230 0.000 0.198 457 D C 1.779 178.113 176.300 0.057 0.000 0.982 457 D CA 1.651 55.550 54.000 -0.170 0.000 0.828 457 D CB -0.023 40.569 40.800 -0.347 0.000 0.967 457 D HN 0.425 nan 8.370 nan 0.000 0.464 458 K N -0.118 120.241 120.400 -0.069 0.000 2.062 458 K HA 0.081 4.263 4.320 -0.230 0.000 0.205 458 K C 2.183 178.812 176.600 0.048 0.000 1.051 458 K CA 0.922 57.201 56.287 -0.012 0.000 0.941 458 K CB -0.090 32.368 32.500 -0.070 0.000 0.719 458 K HN 0.092 nan 8.250 nan 0.000 0.440 459 A N 0.738 123.581 122.820 0.037 0.000 1.972 459 A HA -0.185 3.997 4.320 -0.230 0.000 0.219 459 A C 1.870 179.625 177.584 0.285 0.000 1.169 459 A CA 1.112 53.246 52.037 0.162 0.000 0.635 459 A CB -0.735 18.364 19.000 0.166 0.000 0.810 459 A HN 0.586 nan 8.150 nan 0.000 0.446 460 W N 1.483 122.851 121.300 0.113 0.000 2.379 460 W HA -0.138 4.387 4.660 -0.226 0.000 0.307 460 W C 1.770 178.325 176.519 0.059 0.000 1.200 460 W CA 1.727 59.146 57.345 0.124 0.000 1.297 460 W CB -0.236 29.301 29.460 0.128 0.000 1.140 460 W HN 0.336 nan 8.180 nan 0.000 0.507 461 N N 0.324 119.018 118.700 -0.010 0.000 2.223 461 N HA -0.139 4.463 4.740 -0.230 0.000 0.185 461 N C 1.731 177.119 175.510 -0.202 0.000 1.016 461 N CA 1.438 54.347 53.050 -0.234 0.000 0.863 461 N CB -0.504 37.955 38.487 -0.046 0.000 0.983 461 N HN 0.350 nan 8.380 nan 0.000 0.429 462 R N 0.548 120.998 120.500 -0.084 0.000 2.148 462 R HA 0.110 4.312 4.340 -0.230 0.000 0.223 462 R C 2.062 178.201 176.300 -0.268 0.000 1.088 462 R CA 0.778 56.842 56.100 -0.061 0.000 0.985 462 R CB -0.089 30.271 30.300 0.100 0.000 0.880 462 R HN 0.155 nan 8.270 nan 0.000 0.451 463 A N 1.145 123.715 122.820 -0.417 0.000 1.930 463 A HA -0.085 4.097 4.320 -0.230 0.000 0.217 463 A C 2.038 179.390 177.584 -0.387 0.000 1.175 463 A CA 1.059 52.617 52.037 -0.799 0.000 0.627 463 A CB -0.234 18.593 19.000 -0.290 0.000 0.815 463 A HN 0.149 nan 8.150 nan 0.000 0.443 464 I N -0.795 119.590 120.570 -0.309 0.000 2.480 464 I HA -0.101 3.931 4.170 -0.230 0.000 0.251 464 I C 1.590 177.683 176.117 -0.040 0.000 1.124 464 I CA 0.754 61.970 61.300 -0.140 0.000 1.444 464 I CB -0.375 37.381 38.000 -0.406 0.000 1.098 464 I HN 0.164 nan 8.210 nan 0.000 0.428 465 D N 1.083 121.404 120.400 -0.131 0.000 2.123 465 D HA -0.163 4.339 4.640 -0.230 0.000 0.196 465 D C 2.267 178.550 176.300 -0.028 0.000 0.992 465 D CA 1.588 55.546 54.000 -0.070 0.000 0.833 465 D CB -0.039 40.712 40.800 -0.082 0.000 0.954 465 D HN 0.303 nan 8.370 nan 0.000 0.455 466 M N -0.384 119.183 119.600 -0.056 0.000 2.160 466 M HA 0.001 4.343 4.480 -0.230 0.000 0.264 466 M C 2.196 178.480 176.300 -0.027 0.000 1.073 466 M CA 0.770 56.053 55.300 -0.028 0.000 1.142 466 M CB -0.045 32.553 32.600 -0.003 0.000 1.358 466 M HN -0.087 nan 8.290 nan 0.000 0.422 467 L N -1.351 119.839 121.223 -0.056 0.000 2.465 467 L HA -0.139 4.062 4.340 -0.230 0.000 0.224 467 L C 1.293 177.900 176.870 -0.438 0.000 1.145 467 L CA 0.972 55.689 54.840 -0.204 0.000 0.834 467 L CB -0.223 41.678 42.059 -0.263 0.000 0.944 467 L HN 0.331 nan 8.230 nan 0.000 0.451 468 Y N -1.822 118.445 120.300 -0.054 0.000 2.512 468 Y HA 0.323 4.737 4.550 -0.226 0.000 0.268 468 Y C 1.788 177.662 175.900 -0.043 0.000 1.102 468 Y CA 0.353 58.424 58.100 -0.048 0.000 1.261 468 Y CB 0.343 38.769 38.460 -0.056 0.000 1.250 468 Y HN 0.105 nan 8.280 nan 0.000 0.506 469 G N 1.009 109.860 108.800 0.085 0.000 2.609 469 G HA2 -0.362 3.460 3.960 -0.230 0.000 0.288 469 G HA3 -0.362 3.460 3.960 -0.230 0.000 0.288 469 G C 0.742 175.659 174.900 0.029 0.000 1.211 469 G CA 0.593 45.713 45.100 0.033 0.000 0.963 469 G HN 0.236 nan 8.290 nan 0.000 0.541 470 D N 0.414 120.827 120.400 0.023 0.000 2.224 470 D HA 0.065 4.567 4.640 -0.230 0.000 0.205 470 D C 2.044 178.352 176.300 0.014 0.000 0.965 470 D CA 0.929 54.935 54.000 0.010 0.000 0.852 470 D CB 0.127 40.929 40.800 0.004 0.000 0.947 470 D HN 0.180 nan 8.370 nan 0.000 0.494 471 L N 0.295 121.542 121.223 0.041 0.000 2.783 471 L HA 0.295 4.497 4.340 -0.230 0.000 0.236 471 L C 1.386 178.249 176.870 -0.011 0.000 1.225 471 L CA -0.092 54.765 54.840 0.028 0.000 1.026 471 L CB -0.112 41.986 42.059 0.065 0.000 1.314 471 L HN -0.182 nan 8.230 nan 0.000 0.489 472 A N -1.224 121.588 122.820 -0.013 0.000 1.861 472 A HA -0.008 4.174 4.320 -0.230 0.000 0.212 472 A C 2.052 179.551 177.584 -0.142 0.000 1.199 472 A CA 0.693 52.682 52.037 -0.080 0.000 0.613 472 A CB -0.193 18.784 19.000 -0.037 0.000 0.846 472 A HN 0.363 nan 8.150 nan 0.000 0.446 473 E N 0.764 120.911 120.200 -0.088 0.000 2.097 473 E HA -0.214 3.998 4.350 -0.230 0.000 0.196 473 E C 1.460 178.026 176.600 -0.057 0.000 1.000 473 E CA 1.591 57.948 56.400 -0.072 0.000 0.804 473 E CB -0.406 29.270 29.700 -0.041 0.000 0.740 473 E HN 0.551 nan 8.360 nan 0.000 0.454 474 D N 0.046 120.411 120.400 -0.057 0.000 2.144 474 D HA -0.131 4.371 4.640 -0.230 0.000 0.200 474 D C 1.908 178.183 176.300 -0.042 0.000 0.978 474 D CA 0.783 54.761 54.000 -0.037 0.000 0.833 474 D CB -0.252 40.522 40.800 -0.042 0.000 0.961 474 D HN 0.101 nan 8.370 nan 0.000 0.470 475 M N 0.870 120.381 119.600 -0.148 0.000 2.229 475 M HA -0.075 4.266 4.480 -0.230 0.000 0.264 475 M C 1.590 177.832 176.300 -0.096 0.000 1.063 475 M CA 1.457 56.631 55.300 -0.209 0.000 1.114 475 M CB 0.012 32.187 32.600 -0.709 0.000 1.387 475 M HN -0.211 nan 8.290 nan 0.000 0.420 476 K N -0.870 119.445 120.400 -0.141 0.000 2.063 476 K HA -0.128 4.054 4.320 -0.230 0.000 0.208 476 K C 1.786 178.474 176.600 0.147 0.000 1.048 476 K CA 1.722 57.948 56.287 -0.102 0.000 0.928 476 K CB -0.507 31.885 32.500 -0.181 0.000 0.713 476 K HN 0.261 nan 8.250 nan 0.000 0.442 477 V N 1.063 121.059 119.914 0.135 0.000 2.343 477 V HA -0.247 3.735 4.120 -0.230 0.000 0.247 477 V C 1.994 178.282 176.094 0.323 0.000 1.051 477 V CA 1.723 64.149 62.300 0.210 0.000 1.036 477 V CB -0.529 31.393 31.823 0.166 0.000 0.654 477 V HN 0.242 nan 8.190 nan 0.000 0.451 478 F N 1.651 121.673 119.950 0.119 0.000 2.128 478 F HA -0.006 4.382 4.527 -0.231 0.000 0.295 478 F C 2.263 178.163 175.800 0.167 0.000 1.100 478 F CA 1.248 59.319 58.000 0.118 0.000 1.260 478 F CB -0.663 38.349 39.000 0.021 0.000 1.009 478 F HN 0.057 nan 8.300 nan 0.000 0.476 479 A N 0.134 122.944 122.820 -0.017 0.000 1.969 479 A HA -0.201 3.981 4.320 -0.230 0.000 0.218 479 A C 1.999 179.679 177.584 0.161 0.000 1.169 479 A CA 1.643 53.680 52.037 -0.000 0.000 0.635 479 A CB -1.244 17.896 19.000 0.232 0.000 0.810 479 A HN 0.550 nan 8.150 nan 0.000 0.445 480 N N -0.586 118.276 118.700 0.270 0.000 2.192 480 N HA -0.207 4.395 4.740 -0.230 0.000 0.188 480 N C 1.282 176.677 175.510 -0.193 0.000 1.013 480 N CA 1.881 54.941 53.050 0.016 0.000 0.863 480 N CB -0.395 38.119 38.487 0.044 0.000 0.990 480 N HN 0.698 nan 8.380 nan 0.000 0.430 481 H N -2.263 116.769 119.070 -0.064 0.000 2.548 481 H HA 0.289 4.707 4.556 -0.231 0.000 0.265 481 H C 0.132 175.385 175.328 -0.125 0.000 0.969 481 H CA 0.445 56.446 56.048 -0.078 0.000 1.155 481 H CB 0.380 30.125 29.762 -0.029 0.000 1.394 481 H HN 0.011 nan 8.280 nan 0.000 0.570 482 S N -0.016 115.628 115.700 -0.093 0.000 2.139 482 S HA 0.112 4.444 4.470 -0.230 0.000 0.183 482 S C 0.913 175.472 174.600 -0.070 0.000 1.473 482 S CA 0.036 58.163 58.200 -0.122 0.000 1.263 482 S CB -0.248 62.781 63.200 -0.286 0.000 1.170 482 S HN 0.509 nan 8.310 nan 0.000 0.430 483 T N -0.670 113.851 114.554 -0.055 0.000 3.098 483 T HA 0.330 4.542 4.350 -0.230 0.000 0.246 483 T C 0.748 175.481 174.700 0.054 0.000 0.983 483 T CA -0.225 61.876 62.100 0.001 0.000 1.094 483 T CB -0.220 68.561 68.868 -0.144 0.000 1.035 483 T HN 0.313 nan 8.240 nan 0.000 0.456 484 R N 2.305 122.784 120.500 -0.035 0.000 2.343 484 R HA 0.308 4.509 4.340 -0.230 0.000 0.326 484 R C -0.408 175.884 176.300 -0.013 0.000 1.055 484 R CA -0.109 55.969 56.100 -0.036 0.000 0.961 484 R CB -0.323 29.924 30.300 -0.088 0.000 0.978 484 R HN 0.272 nan 8.270 nan 0.000 0.443 485 M N 3.293 122.917 119.600 0.040 0.000 2.144 485 M HA 0.260 4.602 4.480 -0.230 0.000 0.356 485 M C -0.863 175.364 176.300 -0.121 0.000 1.217 485 M CA -0.369 54.929 55.300 -0.004 0.000 1.087 485 M CB 1.223 33.899 32.600 0.127 0.000 1.609 485 M HN 0.578 nan 8.290 nan 0.000 0.467 486 D N 2.354 122.574 120.400 -0.300 0.000 2.804 486 D HA 0.143 4.644 4.640 -0.230 0.000 0.209 486 D C -0.358 175.516 176.300 -0.709 0.000 1.314 486 D CA -0.344 53.418 54.000 -0.396 0.000 0.894 486 D CB 0.989 41.626 40.800 -0.271 0.000 1.615 486 D HN 0.573 nan 8.370 nan 0.000 0.571 487 N N 3.026 121.332 118.700 -0.658 0.000 2.295 487 N HA 0.057 4.659 4.740 -0.230 0.000 0.221 487 N C -0.164 175.158 175.510 -0.313 0.000 1.129 487 N CA -0.196 52.471 53.050 -0.638 0.000 0.836 487 N CB -0.044 38.234 38.487 -0.349 0.000 1.040 487 N HN 0.599 nan 8.380 nan 0.000 0.494 488 K N -1.455 118.778 120.400 -0.280 0.000 3.130 488 K HA -0.227 3.955 4.320 -0.230 0.000 0.282 488 K C -0.011 176.529 176.600 -0.101 0.000 1.145 488 K CA 1.397 57.594 56.287 -0.149 0.000 0.831 488 K CB -2.107 30.341 32.500 -0.086 0.000 1.226 488 K HN 0.741 nan 8.250 nan 0.000 0.478 489 T N -3.924 110.544 114.554 -0.143 0.000 2.580 489 T HA 0.124 4.336 4.350 -0.230 0.000 0.139 489 T C 0.904 175.574 174.700 -0.049 0.000 0.763 489 T CA -0.210 61.862 62.100 -0.046 0.000 0.761 489 T CB -0.260 68.646 68.868 0.064 0.000 2.468 489 T HN 0.326 nan 8.240 nan 0.000 0.343 490 W N 2.769 124.010 121.300 -0.099 0.000 2.640 490 W HA 0.695 5.217 4.660 -0.230 0.000 0.268 490 W C 0.306 176.718 176.519 -0.179 0.000 1.263 490 W CA 0.157 57.430 57.345 -0.119 0.000 1.344 490 W CB -0.443 28.951 29.460 -0.110 0.000 1.093 490 W HN 0.596 nan 8.180 nan 0.000 0.603 491 A N 2.858 125.054 122.820 -1.040 0.000 2.276 491 A HA 0.641 4.823 4.320 -0.230 0.000 0.316 491 A C -0.326 176.874 177.584 -0.639 0.000 1.229 491 A CA -0.600 50.759 52.037 -1.129 0.000 0.851 491 A CB 0.470 18.181 19.000 -2.149 0.000 1.165 491 A HN 0.284 nan 8.150 nan 0.000 0.513 492 K N 0.639 120.793 120.400 -0.410 0.000 2.569 492 K HA 0.727 4.909 4.320 -0.230 0.000 0.259 492 K C -0.924 175.586 176.600 -0.150 0.000 0.932 492 K CA -0.529 55.608 56.287 -0.249 0.000 0.833 492 K CB 1.592 33.980 32.500 -0.187 0.000 1.340 492 K HN 0.641 nan 8.250 nan 0.000 0.429 493 S N 0.681 116.336 115.700 -0.075 0.000 2.703 493 S HA 0.836 5.168 4.470 -0.230 0.000 0.273 493 S C -0.810 173.798 174.600 0.014 0.000 1.178 493 S CA 0.389 58.580 58.200 -0.014 0.000 0.838 493 S CB 1.130 64.295 63.200 -0.060 0.000 1.178 493 S HN 1.741 nan 8.310 nan 0.000 0.494 494 G N 1.481 110.245 108.800 -0.061 0.000 2.796 494 G HA2 -0.099 3.722 3.960 -0.230 0.000 0.571 494 G HA3 -0.099 3.722 3.960 -0.230 0.000 0.571 494 G C -0.647 174.059 174.900 -0.324 0.000 1.370 494 G CA -0.043 44.911 45.100 -0.243 0.000 0.856 494 G HN 0.799 nan 8.290 nan 0.000 0.538 495 R N 0.479 120.647 120.500 -0.554 0.000 2.539 495 R HA 0.286 4.488 4.340 -0.230 0.000 0.275 495 R C 0.341 176.355 176.300 -0.477 0.000 1.077 495 R CA -0.518 55.017 56.100 -0.942 0.000 1.097 495 R CB 0.322 30.177 30.300 -0.742 0.000 1.018 495 R HN 0.572 nan 8.270 nan 0.000 0.483 496 E N 2.001 121.951 120.200 -0.416 0.000 2.413 496 E HA -0.024 4.188 4.350 -0.230 0.000 0.263 496 E C -0.686 175.781 176.600 -0.221 0.000 1.015 496 E CA 0.275 56.535 56.400 -0.233 0.000 0.916 496 E CB 0.511 30.114 29.700 -0.161 0.000 0.947 496 E HN 0.446 nan 8.360 nan 0.000 0.440 497 D N 1.037 121.337 120.400 -0.166 0.000 2.383 497 D HA 0.166 4.668 4.640 -0.230 0.000 0.252 497 D C 0.322 176.500 176.300 -0.204 0.000 1.166 497 D CA 0.264 54.157 54.000 -0.178 0.000 0.879 497 D CB 0.768 41.511 40.800 -0.095 0.000 1.164 497 D HN 0.491 nan 8.370 nan 0.000 0.462 498 A N 4.678 127.318 122.820 -0.299 0.000 2.560 498 A HA -0.156 4.026 4.320 -0.230 0.000 0.299 498 A C -1.071 176.402 177.584 -0.185 0.000 1.484 498 A CA 0.231 52.081 52.037 -0.311 0.000 0.749 498 A CB -1.168 17.550 19.000 -0.469 0.000 1.072 498 A HN 0.488 nan 8.150 nan 0.000 0.426 499 P HA -0.187 nan 4.420 nan 0.000 0.215 499 P C 1.187 178.438 177.300 -0.081 0.000 1.157 499 P CA 1.756 64.797 63.100 -0.098 0.000 0.868 499 P CB 0.065 31.714 31.700 -0.084 0.000 0.788 500 E N -0.166 119.982 120.200 -0.086 0.000 2.114 500 E HA -0.189 4.023 4.350 -0.230 0.000 0.199 500 E C 2.061 178.607 176.600 -0.089 0.000 1.008 500 E CA 0.975 57.330 56.400 -0.076 0.000 0.810 500 E CB -1.165 28.492 29.700 -0.072 0.000 0.739 500 E HN 0.130 nan 8.360 nan 0.000 0.456 501 L N 0.306 121.466 121.223 -0.105 0.000 2.201 501 L HA -0.075 4.127 4.340 -0.230 0.000 0.212 501 L C 2.078 178.886 176.870 -0.104 0.000 1.105 501 L CA 1.480 56.250 54.840 -0.117 0.000 0.775 501 L CB -0.068 41.939 42.059 -0.088 0.000 0.913 501 L HN -0.047 nan 8.230 nan 0.000 0.440 502 R N -0.321 120.138 120.500 -0.067 0.000 2.073 502 R HA 0.046 4.247 4.340 -0.230 0.000 0.229 502 R C 2.167 178.457 176.300 -0.017 0.000 1.120 502 R CA 1.280 57.365 56.100 -0.025 0.000 0.967 502 R CB -0.861 29.435 30.300 -0.007 0.000 0.862 502 R HN 0.456 nan 8.270 nan 0.000 0.436 503 A N 1.295 124.097 122.820 -0.030 0.000 1.908 503 A HA -0.196 3.986 4.320 -0.230 0.000 0.218 503 A C 2.116 179.675 177.584 -0.042 0.000 1.181 503 A CA 1.749 53.773 52.037 -0.021 0.000 0.627 503 A CB -0.330 18.654 19.000 -0.026 0.000 0.818 503 A HN 0.305 nan 8.150 nan 0.000 0.445 504 K N -1.062 119.287 120.400 -0.085 0.000 2.057 504 K HA -0.032 4.149 4.320 -0.230 0.000 0.206 504 K C 2.112 178.608 176.600 -0.172 0.000 1.050 504 K CA 1.539 57.749 56.287 -0.127 0.000 0.935 504 K CB -0.275 32.126 32.500 -0.166 0.000 0.715 504 K HN 0.499 nan 8.250 nan 0.000 0.439 505 M N 1.060 120.552 119.600 -0.181 0.000 2.080 505 M HA -0.202 4.140 4.480 -0.230 0.000 0.260 505 M C 1.459 177.676 176.300 -0.138 0.000 1.068 505 M CA 1.494 56.668 55.300 -0.209 0.000 1.109 505 M CB -0.242 32.301 32.600 -0.094 0.000 1.342 505 M HN 0.097 nan 8.290 nan 0.000 0.405 506 D N 0.000 120.428 120.400 0.047 0.000 2.144 506 D HA -0.187 4.315 4.640 -0.230 0.000 0.199 506 D C 1.761 178.101 176.300 0.067 0.000 0.984 506 D CA 1.198 55.296 54.000 0.163 0.000 0.834 506 D CB -0.371 40.513 40.800 0.139 0.000 0.955 506 D HN 0.496 nan 8.370 nan 0.000 0.465 507 E N 0.063 120.252 120.200 -0.019 0.000 2.204 507 E HA -0.171 4.041 4.350 -0.230 0.000 0.195 507 E C 2.068 178.622 176.600 -0.076 0.000 0.990 507 E CA 0.317 56.699 56.400 -0.030 0.000 0.821 507 E CB 0.036 29.707 29.700 -0.049 0.000 0.750 507 E HN 0.070 nan 8.360 nan 0.000 0.477 508 L N -0.433 120.658 121.223 -0.221 0.000 2.072 508 L HA -0.074 4.128 4.340 -0.230 0.000 0.205 508 L C 1.613 178.313 176.870 -0.284 0.000 1.079 508 L CA 1.630 56.263 54.840 -0.344 0.000 0.752 508 L CB -0.457 41.239 42.059 -0.604 0.000 0.906 508 L HN 0.257 nan 8.230 nan 0.000 0.436 509 W N -0.792 120.500 121.300 -0.013 0.000 2.467 509 W HA -0.102 4.420 4.660 -0.230 0.000 0.275 509 W C 2.460 179.061 176.519 0.136 0.000 1.239 509 W CA 0.540 57.867 57.345 -0.031 0.000 1.266 509 W CB -0.553 28.882 29.460 -0.042 0.000 1.112 509 W HN 0.281 nan 8.180 nan 0.000 0.576 510 N N 1.371 120.235 118.700 0.273 0.000 2.080 510 N HA -0.173 4.429 4.740 -0.230 0.000 0.189 510 N C 1.466 177.082 175.510 0.176 0.000 1.036 510 N CA 1.764 54.936 53.050 0.205 0.000 0.846 510 N CB -0.249 38.318 38.487 0.133 0.000 1.015 510 N HN 0.010 nan 8.380 nan 0.000 0.423 511 K N -0.246 120.228 120.400 0.123 0.000 2.288 511 K HA 0.043 4.225 4.320 -0.230 0.000 0.201 511 K C 1.931 178.617 176.600 0.144 0.000 1.048 511 K CA 0.436 56.786 56.287 0.105 0.000 0.956 511 K CB 0.010 32.541 32.500 0.052 0.000 0.746 511 K HN 0.233 nan 8.250 nan 0.000 0.461 512 L N 0.955 122.294 121.223 0.193 0.000 2.109 512 L HA -0.111 4.091 4.340 -0.230 0.000 0.207 512 L C 1.912 178.974 176.870 0.319 0.000 1.086 512 L CA 1.100 56.107 54.840 0.279 0.000 0.760 512 L CB -0.172 42.121 42.059 0.391 0.000 0.910 512 L HN 0.146 nan 8.230 nan 0.000 0.437 513 S N -2.850 113.053 115.700 0.338 0.000 2.685 513 S HA 0.152 4.484 4.470 -0.230 0.000 0.240 513 S C 0.735 175.440 174.600 0.175 0.000 0.967 513 S CA -0.203 58.133 58.200 0.228 0.000 1.009 513 S CB 0.302 63.645 63.200 0.239 0.000 0.776 513 S HN 0.196 nan 8.310 nan 0.000 0.467 514 S N 0.812 116.640 115.700 0.213 0.000 3.088 514 S HA 0.394 4.726 4.470 -0.230 0.000 0.249 514 S C 0.219 174.950 174.600 0.218 0.000 0.877 514 S CA -0.655 57.697 58.200 0.253 0.000 1.184 514 S CB 0.174 63.482 63.200 0.179 0.000 1.170 514 S HN 0.498 nan 8.310 nan 0.000 0.603 515 K N 0.532 121.060 120.400 0.213 0.000 3.612 515 K HA -0.187 3.995 4.320 -0.230 0.000 0.274 515 K C -0.361 176.299 176.600 0.099 0.000 1.123 515 K CA 1.221 57.598 56.287 0.151 0.000 1.059 515 K CB -0.871 31.687 32.500 0.096 0.000 1.330 515 K HN 0.512 nan 8.250 nan 0.000 0.477 516 E N 1.523 121.781 120.200 0.096 0.000 2.398 516 E HA 0.042 4.254 4.350 -0.230 0.000 0.263 516 E C -0.207 176.430 176.600 0.062 0.000 1.046 516 E CA -0.085 56.355 56.400 0.066 0.000 0.908 516 E CB 0.530 30.268 29.700 0.062 0.000 0.963 516 E HN 0.072 nan 8.360 nan 0.000 0.431 517 D N 0.684 121.111 120.400 0.045 0.000 2.317 517 D HA 0.222 4.724 4.640 -0.230 0.000 0.252 517 D C -0.483 175.837 176.300 0.032 0.000 1.174 517 D CA -0.079 53.945 54.000 0.041 0.000 0.866 517 D CB 0.895 41.714 40.800 0.032 0.000 1.127 517 D HN 0.418 nan 8.370 nan 0.000 0.467 518 A N 2.930 125.770 122.820 0.033 0.000 2.574 518 A HA 0.173 4.355 4.320 -0.230 0.000 0.283 518 A C 1.838 179.434 177.584 0.019 0.000 1.270 518 A CA -0.307 51.739 52.037 0.015 0.000 0.945 518 A CB 0.027 19.028 19.000 0.001 0.000 1.127 518 A HN 0.509 nan 8.150 nan 0.000 0.522 519 S N 0.547 116.264 115.700 0.030 0.000 2.374 519 S HA -0.211 4.121 4.470 -0.230 0.000 0.227 519 S C 2.326 176.942 174.600 0.027 0.000 1.037 519 S CA 1.696 59.918 58.200 0.037 0.000 1.024 519 S CB -0.214 63.005 63.200 0.031 0.000 0.861 519 S HN 0.863 nan 8.310 nan 0.000 0.456 520 A N 0.808 123.635 122.820 0.011 0.000 1.898 520 A HA 0.000 4.182 4.320 -0.230 0.000 0.216 520 A C 2.110 179.686 177.584 -0.012 0.000 1.181 520 A CA 1.241 53.278 52.037 0.000 0.000 0.620 520 A CB -0.565 18.432 19.000 -0.006 0.000 0.819 520 A HN 0.413 nan 8.150 nan 0.000 0.442 521 L N -0.263 120.947 121.223 -0.022 0.000 2.109 521 L HA 0.032 4.234 4.340 -0.230 0.000 0.207 521 L C 2.171 179.008 176.870 -0.056 0.000 1.086 521 L CA 1.378 56.186 54.840 -0.053 0.000 0.760 521 L CB -0.354 41.665 42.059 -0.067 0.000 0.910 521 L HN 0.415 nan 8.230 nan 0.000 0.437 522 I N -0.660 119.905 120.570 -0.008 0.000 2.226 522 I HA -0.286 3.746 4.170 -0.230 0.000 0.245 522 I C 2.349 178.551 176.117 0.142 0.000 1.100 522 I CA 1.284 62.611 61.300 0.046 0.000 1.374 522 I CB -0.307 37.762 38.000 0.115 0.000 1.057 522 I HN 0.327 nan 8.210 nan 0.000 0.413 523 E N 0.433 120.703 120.200 0.118 0.000 2.085 523 E HA -0.303 3.908 4.350 -0.230 0.000 0.194 523 E C 2.076 178.711 176.600 0.058 0.000 0.994 523 E CA 1.454 57.922 56.400 0.113 0.000 0.801 523 E CB -0.087 29.638 29.700 0.042 0.000 0.743 523 E HN 0.466 nan 8.360 nan 0.000 0.453 524 E N 0.512 120.700 120.200 -0.020 0.000 2.106 524 E HA -0.159 4.053 4.350 -0.230 0.000 0.192 524 E C 2.121 178.608 176.600 -0.189 0.000 0.984 524 E CA 0.447 56.796 56.400 -0.086 0.000 0.806 524 E CB 0.100 29.741 29.700 -0.100 0.000 0.750 524 E HN 0.195 nan 8.360 nan 0.000 0.458 525 L N -0.254 120.818 121.223 -0.251 0.000 2.027 525 L HA -0.190 4.012 4.340 -0.230 0.000 0.206 525 L C 2.277 178.790 176.870 -0.595 0.000 1.074 525 L CA 1.267 55.758 54.840 -0.580 0.000 0.745 525 L CB -0.587 41.196 42.059 -0.460 0.000 0.898 525 L HN 0.247 nan 8.230 nan 0.000 0.433 526 Y N 0.244 120.450 120.300 -0.156 0.000 2.102 526 Y HA -0.296 4.116 4.550 -0.231 0.000 0.280 526 Y C 2.562 178.433 175.900 -0.047 0.000 1.178 526 Y CA 1.553 59.660 58.100 0.012 0.000 1.146 526 Y CB -0.773 37.710 38.460 0.039 0.000 0.968 526 Y HN 0.194 nan 8.280 nan 0.000 0.504 527 G N -0.681 108.155 108.800 0.060 0.000 2.408 527 G HA2 -0.203 3.619 3.960 -0.230 0.000 0.217 527 G HA3 -0.203 3.619 3.960 -0.230 0.000 0.217 527 G C 1.518 176.377 174.900 -0.070 0.000 1.150 527 G CA 0.892 45.994 45.100 0.002 0.000 0.776 527 G HN 0.284 nan 8.290 nan 0.000 0.542 528 E N 0.303 120.365 120.200 -0.231 0.000 2.077 528 E HA -0.074 4.138 4.350 -0.230 0.000 0.193 528 E C 2.196 178.690 176.600 -0.178 0.000 0.989 528 E CA 0.717 56.948 56.400 -0.283 0.000 0.800 528 E CB -0.275 29.129 29.700 -0.493 0.000 0.746 528 E HN 0.498 nan 8.360 nan 0.000 0.452 529 F N 0.569 120.513 119.950 -0.008 0.000 2.325 529 F HA 0.050 4.439 4.527 -0.231 0.000 0.299 529 F C 2.338 178.150 175.800 0.019 0.000 1.090 529 F CA 0.560 58.556 58.000 -0.007 0.000 1.392 529 F CB -0.906 38.082 39.000 -0.020 0.000 1.053 529 F HN -0.038 nan 8.300 nan 0.000 0.521 530 A N 0.027 122.953 122.820 0.178 0.000 1.929 530 A HA -0.120 4.062 4.320 -0.230 0.000 0.216 530 A C 2.255 179.885 177.584 0.077 0.000 1.176 530 A CA 1.214 53.324 52.037 0.121 0.000 0.628 530 A CB -0.550 18.512 19.000 0.104 0.000 0.816 530 A HN 0.205 nan 8.150 nan 0.000 0.444 531 R N -0.231 120.303 120.500 0.057 0.000 2.096 531 R HA -0.039 4.163 4.340 -0.230 0.000 0.235 531 R C 1.949 178.288 176.300 0.065 0.000 1.127 531 R CA 2.044 58.172 56.100 0.045 0.000 0.968 531 R CB -0.618 29.698 30.300 0.027 0.000 0.861 531 R HN 0.575 nan 8.270 nan 0.000 0.440 532 M N -0.481 119.173 119.600 0.091 0.000 2.086 532 M HA -0.127 4.215 4.480 -0.230 0.000 0.261 532 M C 2.221 178.554 176.300 0.056 0.000 1.067 532 M CA 2.036 57.389 55.300 0.089 0.000 1.116 532 M CB -0.295 32.353 32.600 0.080 0.000 1.348 532 M HN 0.226 nan 8.290 nan 0.000 0.407 533 E N 0.270 120.503 120.200 0.055 0.000 2.152 533 E HA -0.217 3.995 4.350 -0.230 0.000 0.192 533 E C 1.892 178.503 176.600 0.017 0.000 0.983 533 E CA 0.947 57.366 56.400 0.031 0.000 0.818 533 E CB 0.117 29.841 29.700 0.041 0.000 0.758 533 E HN 0.490 nan 8.360 nan 0.000 0.467 534 E N -0.167 120.048 120.200 0.024 0.000 2.072 534 E HA -0.167 4.045 4.350 -0.230 0.000 0.191 534 E C 1.892 178.492 176.600 0.000 0.000 0.985 534 E CA 0.902 57.309 56.400 0.012 0.000 0.801 534 E CB -0.058 29.652 29.700 0.016 0.000 0.750 534 E HN 0.286 nan 8.360 nan 0.000 0.452 535 A N 0.345 123.171 122.820 0.010 0.000 1.898 535 A HA -0.151 4.031 4.320 -0.230 0.000 0.216 535 A C 2.419 179.982 177.584 -0.034 0.000 1.181 535 A CA 1.210 53.248 52.037 0.001 0.000 0.620 535 A CB -0.759 18.263 19.000 0.036 0.000 0.819 535 A HN 0.493 nan 8.150 nan 0.000 0.442 536 C N -0.150 119.127 119.300 -0.038 0.000 2.435 536 C HA -0.045 4.277 4.460 -0.230 0.000 0.279 536 C C 2.650 177.572 174.990 -0.114 0.000 1.321 536 C CA 0.952 59.902 59.018 -0.113 0.000 1.752 536 C CB -1.348 26.338 27.740 -0.090 0.000 1.959 536 C HN 0.615 nan 8.230 nan 0.000 0.500 537 N N 1.361 120.022 118.700 -0.066 0.000 2.135 537 N HA -0.070 4.532 4.740 -0.230 0.000 0.186 537 N C 1.333 176.810 175.510 -0.055 0.000 1.027 537 N CA 1.252 54.268 53.050 -0.056 0.000 0.849 537 N CB -0.741 37.727 38.487 -0.032 0.000 1.002 537 N HN 0.617 nan 8.380 nan 0.000 0.425 538 N N 0.732 119.405 118.700 -0.046 0.000 2.223 538 N HA -0.024 4.578 4.740 -0.230 0.000 0.185 538 N C 1.752 177.231 175.510 -0.052 0.000 1.016 538 N CA 0.448 53.474 53.050 -0.040 0.000 0.863 538 N CB -0.050 38.419 38.487 -0.029 0.000 0.983 538 N HN 0.146 nan 8.380 nan 0.000 0.429 539 L N 0.938 122.112 121.223 -0.080 0.000 2.056 539 L HA -0.135 4.067 4.340 -0.230 0.000 0.207 539 L C 2.140 178.952 176.870 -0.097 0.000 1.078 539 L CA 1.222 56.000 54.840 -0.103 0.000 0.749 539 L CB -0.202 41.747 42.059 -0.183 0.000 0.901 539 L HN 0.112 nan 8.230 nan 0.000 0.433 540 K N -0.180 120.155 120.400 -0.108 0.000 2.147 540 K HA -0.110 4.072 4.320 -0.230 0.000 0.205 540 K C 2.017 178.584 176.600 -0.055 0.000 1.049 540 K CA 1.268 57.502 56.287 -0.089 0.000 0.936 540 K CB -0.170 32.278 32.500 -0.087 0.000 0.722 540 K HN 0.287 nan 8.250 nan 0.000 0.446 541 A N 0.967 123.759 122.820 -0.046 0.000 2.169 541 A HA -0.021 4.161 4.320 -0.230 0.000 0.212 541 A C 1.229 178.799 177.584 -0.024 0.000 1.153 541 A CA 0.918 52.936 52.037 -0.031 0.000 0.756 541 A CB 0.068 19.052 19.000 -0.027 0.000 0.813 541 A HN 0.214 nan 8.150 nan 0.000 0.471 542 N N -1.250 117.436 118.700 -0.024 0.000 2.168 542 N HA 0.150 4.752 4.740 -0.230 0.000 0.216 542 N C -0.585 174.925 175.510 -0.001 0.000 1.259 542 N CA -0.188 52.855 53.050 -0.011 0.000 0.902 542 N CB 0.305 38.789 38.487 -0.006 0.000 1.079 542 N HN 0.177 nan 8.380 nan 0.000 0.507 543 L N 2.978 124.198 121.223 -0.004 0.000 2.453 543 L HA 0.294 4.496 4.340 -0.230 0.000 0.272 543 L C -1.871 175.001 176.870 0.003 0.000 1.182 543 L CA -1.520 53.328 54.840 0.015 0.000 0.858 543 L CB -0.529 41.535 42.059 0.009 0.000 1.120 543 L HN -0.111 nan 8.230 nan 0.000 0.474 544 P HA 0.043 nan 4.420 nan 0.000 0.268 544 P C 0.679 177.970 177.300 -0.014 0.000 1.205 544 P CA -0.208 62.883 63.100 -0.014 0.000 0.771 544 P CB 0.524 32.205 31.700 -0.031 0.000 0.858 545 E N 3.298 123.488 120.200 -0.016 0.000 2.058 545 E HA -0.208 4.004 4.350 -0.230 0.000 0.194 545 E C 1.609 178.202 176.600 -0.012 0.000 0.997 545 E CA 1.520 57.913 56.400 -0.012 0.000 0.801 545 E CB -0.555 29.138 29.700 -0.011 0.000 0.746 545 E HN 0.150 nan 8.360 nan 0.000 0.450 546 V N 1.082 120.982 119.914 -0.024 0.000 2.311 546 V HA -0.378 3.604 4.120 -0.230 0.000 0.259 546 V C 2.285 178.366 176.094 -0.022 0.000 1.086 546 V CA 2.914 65.193 62.300 -0.035 0.000 1.078 546 V CB -0.670 31.113 31.823 -0.067 0.000 0.668 546 V HN 0.547 nan 8.190 nan 0.000 0.452 547 A N -1.440 121.374 122.820 -0.011 0.000 1.924 547 A HA 0.116 4.298 4.320 -0.230 0.000 0.211 547 A C 1.951 179.548 177.584 0.022 0.000 1.198 547 A CA 1.084 53.134 52.037 0.020 0.000 0.657 547 A CB -0.528 18.507 19.000 0.057 0.000 0.852 547 A HN 0.543 nan 8.150 nan 0.000 0.454 548 L N 1.208 122.435 121.223 0.006 0.000 2.046 548 L HA -0.187 4.015 4.340 -0.230 0.000 0.208 548 L C 2.428 179.290 176.870 -0.012 0.000 1.077 548 L CA 2.736 57.567 54.840 -0.015 0.000 0.747 548 L CB -0.556 41.491 42.059 -0.021 0.000 0.896 548 L HN 0.681 nan 8.230 nan 0.000 0.432 549 E N -1.304 118.898 120.200 0.004 0.000 2.268 549 E HA -0.229 3.983 4.350 -0.230 0.000 0.195 549 E C 1.668 178.289 176.600 0.035 0.000 0.995 549 E CA 1.364 57.774 56.400 0.017 0.000 0.836 549 E CB -0.390 29.325 29.700 0.025 0.000 0.763 549 E HN 0.650 nan 8.360 nan 0.000 0.491 550 E N 0.126 120.347 120.200 0.035 0.000 2.230 550 E HA -0.047 4.165 4.350 -0.230 0.000 0.192 550 E C 1.480 178.000 176.600 -0.133 0.000 0.987 550 E CA 1.114 57.515 56.400 0.002 0.000 0.841 550 E CB 0.298 30.030 29.700 0.053 0.000 0.783 550 E HN 0.570 nan 8.360 nan 0.000 0.481 551 C N -0.522 118.753 119.300 -0.042 0.000 3.098 551 C HA 0.371 4.693 4.460 -0.230 0.000 0.265 551 C C 2.281 177.247 174.990 -0.040 0.000 1.572 551 C CA -0.335 58.683 59.018 -0.001 0.000 1.788 551 C CB -0.798 27.007 27.740 0.109 0.000 2.982 551 C HN 0.197 nan 8.230 nan 0.000 0.532 552 S N 2.245 117.923 115.700 -0.037 0.000 2.368 552 S HA -0.161 4.171 4.470 -0.230 0.000 0.224 552 S C 1.929 176.511 174.600 -0.030 0.000 1.029 552 S CA 1.072 59.243 58.200 -0.049 0.000 0.988 552 S CB -0.494 62.688 63.200 -0.029 0.000 0.838 552 S HN 0.751 nan 8.310 nan 0.000 0.462 553 R N 0.939 121.446 120.500 0.011 0.000 2.115 553 R HA 0.069 4.271 4.340 -0.230 0.000 0.230 553 R C 2.521 178.854 176.300 0.056 0.000 1.111 553 R CA 1.336 57.462 56.100 0.043 0.000 0.976 553 R CB -0.277 30.081 30.300 0.096 0.000 0.870 553 R HN 0.410 nan 8.270 nan 0.000 0.445 554 Q N 0.307 120.154 119.800 0.079 0.000 2.187 554 Q HA 0.020 4.222 4.340 -0.230 0.000 0.199 554 Q C 1.922 178.023 176.000 0.168 0.000 0.957 554 Q CA 0.927 56.834 55.803 0.174 0.000 0.857 554 Q CB 0.064 28.992 28.738 0.317 0.000 0.929 554 Q HN 0.284 nan 8.270 nan 0.000 0.453 555 L N 0.120 121.293 121.223 -0.083 0.000 2.056 555 L HA -0.186 4.016 4.340 -0.230 0.000 0.207 555 L C 1.326 178.143 176.870 -0.089 0.000 1.078 555 L CA 1.219 55.905 54.840 -0.257 0.000 0.749 555 L CB -0.245 41.580 42.059 -0.391 0.000 0.901 555 L HN 0.163 nan 8.230 nan 0.000 0.433 556 D N -0.639 119.732 120.400 -0.049 0.000 2.219 556 D HA -0.186 4.316 4.640 -0.230 0.000 0.205 556 D C 2.039 178.340 176.300 0.002 0.000 0.970 556 D CA 0.711 54.698 54.000 -0.022 0.000 0.851 556 D CB 0.105 40.897 40.800 -0.013 0.000 0.943 556 D HN 0.221 nan 8.370 nan 0.000 0.488 557 E N 0.109 120.325 120.200 0.026 0.000 2.028 557 E HA -0.089 4.123 4.350 -0.230 0.000 0.190 557 E C 1.780 178.395 176.600 0.025 0.000 0.984 557 E CA 0.454 56.873 56.400 0.032 0.000 0.800 557 E CB -0.285 29.445 29.700 0.050 0.000 0.758 557 E HN 0.129 nan 8.360 nan 0.000 0.448 558 L N 0.427 121.682 121.223 0.054 0.000 2.131 558 L HA -0.077 4.125 4.340 -0.230 0.000 0.210 558 L C 2.070 178.929 176.870 -0.018 0.000 1.092 558 L CA 1.459 56.311 54.840 0.020 0.000 0.759 558 L CB -0.334 41.787 42.059 0.104 0.000 0.903 558 L HN 0.284 nan 8.230 nan 0.000 0.435 559 I N -1.376 119.189 120.570 -0.007 0.000 2.179 559 I HA -0.306 3.726 4.170 -0.230 0.000 0.242 559 I C 2.152 178.259 176.117 -0.017 0.000 1.088 559 I CA 1.673 62.966 61.300 -0.013 0.000 1.357 559 I CB -0.658 37.333 38.000 -0.016 0.000 1.051 559 I HN 0.239 nan 8.210 nan 0.000 0.409 560 T N 1.414 115.959 114.554 -0.016 0.000 2.759 560 T HA -0.133 4.079 4.350 -0.230 0.000 0.269 560 T C 1.918 176.597 174.700 -0.034 0.000 1.042 560 T CA 1.261 63.349 62.100 -0.019 0.000 1.140 560 T CB -0.308 68.553 68.868 -0.012 0.000 0.864 560 T HN 0.244 nan 8.240 nan 0.000 0.455 561 L N 0.680 121.879 121.223 -0.041 0.000 2.056 561 L HA -0.009 4.193 4.340 -0.230 0.000 0.207 561 L C 3.120 179.925 176.870 -0.107 0.000 1.078 561 L CA 1.112 55.913 54.840 -0.064 0.000 0.749 561 L CB -0.765 41.259 42.059 -0.058 0.000 0.901 561 L HN 0.228 nan 8.230 nan 0.000 0.433 562 A N -0.145 122.622 122.820 -0.088 0.000 1.883 562 A HA -0.280 3.902 4.320 -0.230 0.000 0.217 562 A C 2.232 179.770 177.584 -0.077 0.000 1.186 562 A CA 1.819 53.810 52.037 -0.077 0.000 0.624 562 A CB -0.575 18.431 19.000 0.010 0.000 0.822 562 A HN 0.483 nan 8.150 nan 0.000 0.444 563 Q N -0.924 118.853 119.800 -0.038 0.000 2.124 563 Q HA -0.098 4.103 4.340 -0.230 0.000 0.202 563 Q C 2.184 178.152 176.000 -0.052 0.000 0.977 563 Q CA 1.178 56.970 55.803 -0.019 0.000 0.850 563 Q CB -0.435 28.298 28.738 -0.008 0.000 0.901 563 Q HN 0.699 nan 8.270 nan 0.000 0.429 564 G N 0.986 109.737 108.800 -0.082 0.000 2.408 564 G HA2 -0.241 3.581 3.960 -0.230 0.000 0.217 564 G HA3 -0.241 3.581 3.960 -0.230 0.000 0.217 564 G C 0.882 175.688 174.900 -0.157 0.000 1.150 564 G CA 0.931 45.972 45.100 -0.098 0.000 0.776 564 G HN 0.235 nan 8.290 nan 0.000 0.542 565 D N 0.306 120.541 120.400 -0.275 0.000 2.144 565 D HA -0.061 4.441 4.640 -0.230 0.000 0.200 565 D C 2.268 178.325 176.300 -0.404 0.000 0.978 565 D CA 0.627 54.310 54.000 -0.528 0.000 0.833 565 D CB -0.073 39.845 40.800 -1.470 0.000 0.961 565 D HN 0.209 nan 8.370 nan 0.000 0.470 566 K N 1.232 121.516 120.400 -0.193 0.000 2.026 566 K HA -0.048 4.134 4.320 -0.230 0.000 0.208 566 K C 1.895 178.515 176.600 0.033 0.000 1.048 566 K CA 1.143 57.447 56.287 0.028 0.000 0.929 566 K CB -0.161 32.431 32.500 0.152 0.000 0.713 566 K HN 0.022 nan 8.250 nan 0.000 0.439 567 A N 0.560 123.377 122.820 -0.005 0.000 2.067 567 A HA -0.076 4.106 4.320 -0.230 0.000 0.219 567 A C 2.190 179.748 177.584 -0.044 0.000 1.158 567 A CA 1.757 53.791 52.037 -0.005 0.000 0.661 567 A CB -0.319 18.662 19.000 -0.031 0.000 0.801 567 A HN 0.370 nan 8.150 nan 0.000 0.452 568 S N -0.065 115.575 115.700 -0.098 0.000 2.371 568 S HA -0.026 4.306 4.470 -0.230 0.000 0.224 568 S C 1.747 176.296 174.600 -0.086 0.000 1.029 568 S CA 1.208 59.320 58.200 -0.145 0.000 0.978 568 S CB -0.374 62.638 63.200 -0.313 0.000 0.833 568 S HN 0.546 nan 8.310 nan 0.000 0.466 569 L N 1.490 122.668 121.223 -0.074 0.000 2.141 569 L HA -0.124 4.078 4.340 -0.230 0.000 0.209 569 L C 1.974 178.913 176.870 0.115 0.000 1.094 569 L CA 0.889 55.689 54.840 -0.067 0.000 0.763 569 L CB -0.675 41.094 42.059 -0.483 0.000 0.908 569 L HN 0.190 nan 8.230 nan 0.000 0.437 570 D N 0.022 120.520 120.400 0.164 0.000 2.123 570 D HA -0.202 4.300 4.640 -0.230 0.000 0.196 570 D C 2.326 178.725 176.300 0.164 0.000 0.992 570 D CA 1.366 55.489 54.000 0.206 0.000 0.833 570 D CB -0.102 40.790 40.800 0.153 0.000 0.954 570 D HN 0.303 nan 8.370 nan 0.000 0.455 571 M N -0.003 119.665 119.600 0.114 0.000 2.086 571 M HA -0.108 4.234 4.480 -0.230 0.000 0.261 571 M C 2.368 178.859 176.300 0.320 0.000 1.067 571 M CA 1.080 56.501 55.300 0.201 0.000 1.116 571 M CB -0.219 32.406 32.600 0.042 0.000 1.348 571 M HN -0.002 nan 8.290 nan 0.000 0.407 572 I N -0.358 120.340 120.570 0.214 0.000 2.226 572 I HA -0.256 3.775 4.170 -0.230 0.000 0.245 572 I C 2.303 178.529 176.117 0.181 0.000 1.100 572 I CA 1.102 62.522 61.300 0.200 0.000 1.374 572 I CB -0.364 37.707 38.000 0.118 0.000 1.057 572 I HN 0.087 nan 8.210 nan 0.000 0.413 573 V N 1.015 121.040 119.914 0.184 0.000 2.358 573 V HA -0.260 3.721 4.120 -0.230 0.000 0.246 573 V C 2.675 178.858 176.094 0.149 0.000 1.047 573 V CA 1.910 64.310 62.300 0.167 0.000 1.035 573 V CB -0.941 30.998 31.823 0.193 0.000 0.658 573 V HN 0.491 nan 8.190 nan 0.000 0.452 574 A N -1.140 121.791 122.820 0.186 0.000 2.015 574 A HA -0.226 3.956 4.320 -0.230 0.000 0.219 574 A C 2.190 179.845 177.584 0.119 0.000 1.163 574 A CA 1.503 53.650 52.037 0.183 0.000 0.646 574 A CB -0.361 18.811 19.000 0.286 0.000 0.806 574 A HN 0.607 nan 8.150 nan 0.000 0.448 575 Q N -0.669 119.199 119.800 0.114 0.000 2.123 575 Q HA 0.022 4.223 4.340 -0.230 0.000 0.199 575 Q C 1.948 177.965 176.000 0.029 0.000 0.966 575 Q CA 1.016 56.815 55.803 -0.006 0.000 0.845 575 Q CB -0.167 28.584 28.738 0.022 0.000 0.907 575 Q HN 0.687 nan 8.270 nan 0.000 0.439 576 L N 0.618 121.885 121.223 0.074 0.000 2.179 576 L HA -0.103 4.099 4.340 -0.230 0.000 0.208 576 L C 1.309 178.210 176.870 0.052 0.000 1.096 576 L CA 0.529 55.410 54.840 0.069 0.000 0.779 576 L CB -0.157 41.954 42.059 0.086 0.000 0.922 576 L HN 0.163 nan 8.230 nan 0.000 0.443 577 N N 0.060 118.793 118.700 0.054 0.000 2.336 577 N HA -0.035 4.566 4.740 -0.230 0.000 0.189 577 N C -0.006 175.522 175.510 0.029 0.000 1.113 577 N CA 0.146 53.222 53.050 0.043 0.000 0.858 577 N CB 0.175 38.693 38.487 0.052 0.000 0.970 577 N HN 0.193 nan 8.380 nan 0.000 0.471 578 E N 0.208 120.416 120.200 0.015 0.000 2.476 578 E HA -0.209 4.003 4.350 -0.230 0.000 0.251 578 E C -0.924 175.679 176.600 0.005 0.000 1.130 578 E CA 0.364 56.759 56.400 -0.008 0.000 0.736 578 E CB -1.195 28.500 29.700 -0.007 0.000 1.298 578 E HN 0.246 nan 8.360 nan 0.000 0.400 579 D N 0.526 120.944 120.400 0.030 0.000 2.500 579 D HA 0.084 4.586 4.640 -0.230 0.000 0.219 579 D C 1.254 177.604 176.300 0.082 0.000 1.137 579 D CA 0.472 54.503 54.000 0.052 0.000 0.946 579 D CB 0.568 41.407 40.800 0.064 0.000 1.022 579 D HN 0.185 nan 8.370 nan 0.000 0.518 580 T N -0.081 114.505 114.554 0.054 0.000 2.951 580 T HA -0.129 4.082 4.350 -0.230 0.000 0.268 580 T C 1.528 176.313 174.700 0.142 0.000 1.073 580 T CA 0.792 62.944 62.100 0.087 0.000 1.134 580 T CB 0.023 68.906 68.868 0.025 0.000 0.884 580 T HN 0.410 nan 8.240 nan 0.000 0.479 581 E N 1.358 121.613 120.200 0.091 0.000 2.047 581 E HA 0.007 4.219 4.350 -0.230 0.000 0.191 581 E C 2.432 179.081 176.600 0.081 0.000 0.987 581 E CA 0.907 57.351 56.400 0.074 0.000 0.799 581 E CB -0.383 29.345 29.700 0.047 0.000 0.752 581 E HN 0.633 nan 8.360 nan 0.000 0.449 582 A N 0.082 122.957 122.820 0.091 0.000 1.968 582 A HA -0.162 4.020 4.320 -0.230 0.000 0.217 582 A C 1.968 179.617 177.584 0.108 0.000 1.169 582 A CA 1.156 53.244 52.037 0.084 0.000 0.638 582 A CB -0.774 18.275 19.000 0.082 0.000 0.812 582 A HN 0.544 nan 8.150 nan 0.000 0.446 583 Y N 0.992 121.308 120.300 0.028 0.000 2.070 583 Y HA -0.229 4.183 4.550 -0.230 0.000 0.280 583 Y C 2.323 178.235 175.900 0.021 0.000 1.148 583 Y CA 2.323 60.441 58.100 0.030 0.000 1.125 583 Y CB -0.126 38.351 38.460 0.029 0.000 0.975 583 Y HN 0.321 nan 8.280 nan 0.000 0.492 584 E N -0.494 119.745 120.200 0.065 0.000 2.153 584 E HA -0.199 4.013 4.350 -0.230 0.000 0.194 584 E C 2.437 178.996 176.600 -0.068 0.000 0.988 584 E CA 1.219 57.596 56.400 -0.037 0.000 0.811 584 E CB -0.499 29.238 29.700 0.062 0.000 0.746 584 E HN 0.438 nan 8.360 nan 0.000 0.466 585 S N 0.192 115.877 115.700 -0.024 0.000 2.368 585 S HA -0.073 4.259 4.470 -0.230 0.000 0.224 585 S C 2.004 176.577 174.600 -0.046 0.000 1.029 585 S CA 1.113 59.300 58.200 -0.022 0.000 0.988 585 S CB 0.028 63.231 63.200 0.006 0.000 0.838 585 S HN 0.317 nan 8.310 nan 0.000 0.462 586 A N 1.198 123.980 122.820 -0.064 0.000 1.929 586 A HA 0.024 4.206 4.320 -0.230 0.000 0.216 586 A C 2.063 179.564 177.584 -0.138 0.000 1.176 586 A CA 1.574 53.566 52.037 -0.074 0.000 0.628 586 A CB -0.605 18.368 19.000 -0.046 0.000 0.816 586 A HN 0.591 nan 8.150 nan 0.000 0.444 587 K N -0.368 119.884 120.400 -0.247 0.000 2.152 587 K HA -0.201 3.981 4.320 -0.230 0.000 0.206 587 K C 1.977 178.488 176.600 -0.147 0.000 1.048 587 K CA 1.478 57.605 56.287 -0.267 0.000 0.933 587 K CB -0.080 32.173 32.500 -0.412 0.000 0.721 587 K HN 0.405 nan 8.250 nan 0.000 0.447 588 E N 0.924 121.060 120.200 -0.108 0.000 2.077 588 E HA -0.175 4.037 4.350 -0.230 0.000 0.193 588 E C 1.941 178.508 176.600 -0.055 0.000 0.989 588 E CA 1.259 57.620 56.400 -0.066 0.000 0.800 588 E CB -0.055 29.618 29.700 -0.044 0.000 0.746 588 E HN 0.417 nan 8.360 nan 0.000 0.452 589 I N 0.310 120.848 120.570 -0.055 0.000 2.235 589 I HA -0.191 3.841 4.170 -0.230 0.000 0.241 589 I C 2.573 178.660 176.117 -0.051 0.000 1.085 589 I CA 0.890 62.165 61.300 -0.042 0.000 1.378 589 I CB -0.462 37.520 38.000 -0.029 0.000 1.076 589 I HN 0.008 nan 8.210 nan 0.000 0.415 590 A N 0.310 123.088 122.820 -0.070 0.000 1.940 590 A HA -0.301 3.881 4.320 -0.230 0.000 0.219 590 A C 2.232 179.772 177.584 -0.072 0.000 1.176 590 A CA 2.071 54.061 52.037 -0.079 0.000 0.631 590 A CB -0.626 18.311 19.000 -0.105 0.000 0.814 590 A HN 0.427 nan 8.150 nan 0.000 0.446 591 Q N 0.295 120.052 119.800 -0.071 0.000 2.119 591 Q HA -0.120 4.082 4.340 -0.230 0.000 0.201 591 Q C 1.726 177.701 176.000 -0.042 0.000 0.972 591 Q CA 1.966 57.734 55.803 -0.057 0.000 0.847 591 Q CB -0.309 28.395 28.738 -0.057 0.000 0.903 591 Q HN 0.662 nan 8.270 nan 0.000 0.433 592 N N -0.012 118.665 118.700 -0.039 0.000 2.142 592 N HA -0.117 4.485 4.740 -0.230 0.000 0.186 592 N C 1.354 176.848 175.510 -0.026 0.000 1.023 592 N CA 1.064 54.097 53.050 -0.028 0.000 0.852 592 N CB -0.132 38.341 38.487 -0.025 0.000 0.998 592 N HN 0.171 nan 8.380 nan 0.000 0.424 593 K N 0.817 121.199 120.400 -0.031 0.000 2.063 593 K HA -0.096 4.085 4.320 -0.230 0.000 0.208 593 K C 1.950 178.534 176.600 -0.027 0.000 1.048 593 K CA 0.530 56.800 56.287 -0.029 0.000 0.928 593 K CB -0.676 31.802 32.500 -0.038 0.000 0.713 593 K HN 0.156 nan 8.250 nan 0.000 0.442 594 L N 1.997 123.201 121.223 -0.032 0.000 2.056 594 L HA -0.118 4.084 4.340 -0.230 0.000 0.207 594 L C 1.484 178.343 176.870 -0.018 0.000 1.078 594 L CA 1.709 56.533 54.840 -0.026 0.000 0.749 594 L CB -0.698 41.341 42.059 -0.033 0.000 0.901 594 L HN 0.080 nan 8.230 nan 0.000 0.433 595 N N -0.612 118.077 118.700 -0.019 0.000 2.120 595 N HA -0.160 4.442 4.740 -0.230 0.000 0.188 595 N C 1.808 177.313 175.510 -0.008 0.000 1.024 595 N CA 1.950 54.993 53.050 -0.013 0.000 0.852 595 N CB -0.716 37.763 38.487 -0.014 0.000 1.003 595 N HN 0.619 nan 8.380 nan 0.000 0.424 596 T N -2.294 112.255 114.554 -0.008 0.000 2.951 596 T HA 0.141 4.353 4.350 -0.230 0.000 0.268 596 T C 1.906 176.606 174.700 -0.000 0.000 1.073 596 T CA 0.955 63.053 62.100 -0.003 0.000 1.134 596 T CB -0.291 68.574 68.868 -0.004 0.000 0.884 596 T HN 0.158 nan 8.240 nan 0.000 0.479 597 A N 1.634 124.451 122.820 -0.005 0.000 1.897 597 A HA 0.302 4.484 4.320 -0.230 0.000 0.215 597 A C 2.347 179.928 177.584 -0.005 0.000 1.181 597 A CA 0.896 52.930 52.037 -0.005 0.000 0.620 597 A CB -0.777 18.218 19.000 -0.009 0.000 0.821 597 A HN 0.508 nan 8.150 nan 0.000 0.443 598 L N -0.312 120.908 121.223 -0.006 0.000 2.291 598 L HA -0.082 4.120 4.340 -0.230 0.000 0.214 598 L C 2.537 179.405 176.870 -0.004 0.000 1.120 598 L CA 1.068 55.904 54.840 -0.006 0.000 0.799 598 L CB -0.147 41.910 42.059 -0.003 0.000 0.925 598 L HN 0.300 nan 8.230 nan 0.000 0.446 599 S N -1.339 114.363 115.700 0.003 0.000 2.406 599 S HA -0.038 4.293 4.470 -0.230 0.000 0.224 599 S C 1.113 175.730 174.600 0.028 0.000 1.030 599 S CA 0.131 58.339 58.200 0.013 0.000 0.958 599 S CB 0.067 63.275 63.200 0.013 0.000 0.811 599 S HN 0.331 nan 8.310 nan 0.000 0.489 600 S N 0.709 116.425 115.700 0.027 0.000 2.562 600 S HA 0.154 4.486 4.470 -0.230 0.000 0.281 600 S C 0.776 175.415 174.600 0.065 0.000 1.333 600 S CA -0.531 57.702 58.200 0.055 0.000 1.052 600 S CB 0.102 63.327 63.200 0.041 0.000 0.884 600 S HN 0.330 nan 8.310 nan 0.000 0.506 601 F N 4.793 124.725 119.950 -0.031 0.000 2.134 601 F HA 0.135 4.524 4.527 -0.231 0.000 0.299 601 F C 1.325 177.086 175.800 -0.065 0.000 1.097 601 F CA 1.175 59.145 58.000 -0.051 0.000 1.264 601 F CB -0.719 38.255 39.000 -0.043 0.000 1.001 601 F HN 0.688 nan 8.300 nan 0.000 0.479 602 A N 0.997 123.836 122.820 0.031 0.000 2.498 602 A HA 0.437 4.619 4.320 -0.230 0.000 0.239 602 A C -0.517 176.987 177.584 -0.133 0.000 1.068 602 A CA -0.073 51.930 52.037 -0.056 0.000 0.766 602 A CB -0.025 19.014 19.000 0.064 0.000 1.003 602 A HN 0.118 nan 8.150 nan 0.000 0.497 603 V N 3.432 123.253 119.914 -0.155 0.000 2.656 603 V HA 0.719 4.701 4.120 -0.230 0.000 0.307 603 V C -0.198 175.899 176.094 0.005 0.000 1.051 603 V CA -0.376 61.879 62.300 -0.074 0.000 0.893 603 V CB 1.514 33.280 31.823 -0.094 0.000 0.999 603 V HN 0.888 nan 8.190 nan 0.000 0.426 604 I N 2.968 123.558 120.570 0.033 0.000 2.753 604 I HA 0.442 4.473 4.170 -0.230 0.000 0.291 604 I C 0.041 176.187 176.117 0.049 0.000 1.425 604 I CA -0.054 61.269 61.300 0.039 0.000 1.039 604 I CB 2.080 40.108 38.000 0.046 0.000 1.349 604 I HN 0.824 nan 8.210 nan 0.000 0.430 605 S N 3.831 119.568 115.700 0.062 0.000 3.436 605 S HA -0.161 4.171 4.470 -0.230 0.000 0.393 605 S C 0.796 175.439 174.600 0.072 0.000 0.914 605 S CA 1.501 59.758 58.200 0.095 0.000 1.317 605 S CB -0.648 62.665 63.200 0.188 0.000 0.920 605 S HN 0.853 nan 8.310 nan 0.000 0.564 606 E N 2.079 122.309 120.200 0.049 0.000 2.028 606 E HA -0.023 4.189 4.350 -0.230 0.000 0.190 606 E C 2.133 178.761 176.600 0.046 0.000 0.984 606 E CA 1.282 57.707 56.400 0.042 0.000 0.800 606 E CB -0.069 29.647 29.700 0.026 0.000 0.758 606 E HN 0.490 nan 8.360 nan 0.000 0.448 607 K N 0.361 120.781 120.400 0.034 0.000 2.097 607 K HA -0.047 4.135 4.320 -0.230 0.000 0.206 607 K C 2.033 178.680 176.600 0.077 0.000 1.049 607 K CA 0.879 57.189 56.287 0.038 0.000 0.933 607 K CB -0.211 32.295 32.500 0.009 0.000 0.717 607 K HN 0.090 nan 8.250 nan 0.000 0.442 608 V N 0.318 120.287 119.914 0.091 0.000 2.607 608 V HA 0.060 4.042 4.120 -0.230 0.000 0.228 608 V C 2.269 178.461 176.094 0.163 0.000 1.106 608 V CA 1.363 63.737 62.300 0.123 0.000 1.141 608 V CB -0.766 31.123 31.823 0.111 0.000 0.808 608 V HN 0.180 nan 8.190 nan 0.000 0.501 609 A N -0.776 122.140 122.820 0.160 0.000 1.929 609 A HA -0.207 3.975 4.320 -0.230 0.000 0.216 609 A C 2.178 179.812 177.584 0.083 0.000 1.176 609 A CA 1.976 54.074 52.037 0.103 0.000 0.628 609 A CB -0.477 18.530 19.000 0.013 0.000 0.816 609 A HN 0.597 nan 8.150 nan 0.000 0.444 610 Q N -0.806 119.038 119.800 0.074 0.000 2.096 610 Q HA -0.097 4.104 4.340 -0.230 0.000 0.197 610 Q C 2.247 178.287 176.000 0.067 0.000 0.964 610 Q CA 1.526 57.359 55.803 0.050 0.000 0.838 610 Q CB -0.162 28.598 28.738 0.037 0.000 0.906 610 Q HN 0.566 nan 8.270 nan 0.000 0.444 611 S N -0.420 115.338 115.700 0.097 0.000 2.428 611 S HA -0.105 4.227 4.470 -0.230 0.000 0.230 611 S C 1.483 176.176 174.600 0.156 0.000 1.014 611 S CA 0.479 58.737 58.200 0.097 0.000 0.957 611 S CB -0.363 62.894 63.200 0.095 0.000 0.784 611 S HN 0.525 nan 8.310 nan 0.000 0.499 612 F N 2.131 122.116 119.950 0.059 0.000 2.216 612 F HA 0.040 4.429 4.527 -0.230 0.000 0.300 612 F C 1.630 177.475 175.800 0.075 0.000 1.085 612 F CA 1.092 59.161 58.000 0.116 0.000 1.326 612 F CB -0.309 38.730 39.000 0.065 0.000 1.027 612 F HN 0.236 nan 8.300 nan 0.000 0.497 613 I N -0.332 120.218 120.570 -0.033 0.000 2.252 613 I HA -0.264 3.768 4.170 -0.230 0.000 0.245 613 I C 2.369 178.411 176.117 -0.124 0.000 1.102 613 I CA 1.327 62.547 61.300 -0.134 0.000 1.385 613 I CB -0.542 37.413 38.000 -0.075 0.000 1.064 613 I HN 0.141 nan 8.210 nan 0.000 0.414 614 Q N 1.426 121.184 119.800 -0.071 0.000 2.119 614 Q HA -0.209 3.993 4.340 -0.230 0.000 0.201 614 Q C 1.870 177.803 176.000 -0.113 0.000 0.972 614 Q CA 1.707 57.468 55.803 -0.070 0.000 0.847 614 Q CB -0.095 28.620 28.738 -0.039 0.000 0.903 614 Q HN 0.468 nan 8.270 nan 0.000 0.433 615 E N -0.511 119.595 120.200 -0.157 0.000 2.072 615 E HA -0.121 4.091 4.350 -0.230 0.000 0.191 615 E C 1.797 178.152 176.600 -0.408 0.000 0.985 615 E CA 0.964 57.167 56.400 -0.328 0.000 0.801 615 E CB -0.231 29.209 29.700 -0.433 0.000 0.750 615 E HN 0.478 nan 8.360 nan 0.000 0.452 616 A N 0.677 123.330 122.820 -0.278 0.000 2.070 616 A HA -0.120 4.062 4.320 -0.230 0.000 0.220 616 A C 2.032 179.601 177.584 -0.026 0.000 1.159 616 A CA 0.942 52.914 52.037 -0.107 0.000 0.656 616 A CB -0.364 18.550 19.000 -0.144 0.000 0.800 616 A HN 0.134 nan 8.150 nan 0.000 0.453 617 L N -1.404 119.781 121.223 -0.064 0.000 2.249 617 L HA 0.018 4.220 4.340 -0.230 0.000 0.207 617 L C 2.238 179.111 176.870 0.004 0.000 1.090 617 L CA 0.998 55.824 54.840 -0.023 0.000 0.802 617 L CB -0.081 41.949 42.059 -0.048 0.000 0.947 617 L HN 0.209 nan 8.230 nan 0.000 0.453 618 S N -0.760 114.923 115.700 -0.027 0.000 2.593 618 S HA 0.104 4.436 4.470 -0.230 0.000 0.217 618 S C 0.367 174.974 174.600 0.013 0.000 0.966 618 S CA -0.214 57.974 58.200 -0.020 0.000 0.914 618 S CB -0.109 63.059 63.200 -0.055 0.000 0.776 618 S HN 0.083 nan 8.310 nan 0.000 0.523 619 F N 3.122 122.970 119.950 -0.168 0.000 2.467 619 F HA 0.168 4.557 4.527 -0.230 0.000 0.362 619 F C 1.368 177.155 175.800 -0.021 0.000 1.090 619 F CA -1.155 56.757 58.000 -0.147 0.000 1.202 619 F CB 0.530 39.422 39.000 -0.180 0.000 1.113 619 F HN 0.018 nan 8.300 nan 0.000 0.541 620 D N 3.794 124.016 120.400 -0.297 0.000 2.097 620 D HA -0.118 4.384 4.640 -0.230 0.000 0.197 620 D C 0.125 176.364 176.300 -0.102 0.000 0.984 620 D CA 1.073 54.981 54.000 -0.153 0.000 0.826 620 D CB 0.196 40.913 40.800 -0.138 0.000 0.973 620 D HN 0.439 nan 8.370 nan 0.000 0.460 621 L N -0.324 120.772 121.223 -0.211 0.000 2.385 621 L HA 0.235 4.437 4.340 -0.230 0.000 0.273 621 L C 0.147 176.969 176.870 -0.081 0.000 0.990 621 L CA -0.137 54.523 54.840 -0.301 0.000 0.821 621 L CB 1.858 43.397 42.059 -0.866 0.000 1.279 621 L HN 0.019 nan 8.230 nan 0.000 0.412 622 T N 2.647 117.183 114.554 -0.030 0.000 4.331 622 T HA -0.198 4.013 4.350 -0.230 0.000 0.323 622 T C 0.028 174.714 174.700 -0.023 0.000 0.836 622 T CA 1.952 64.044 62.100 -0.012 0.000 1.985 622 T CB -0.779 68.096 68.868 0.012 0.000 1.919 622 T HN 0.689 nan 8.240 nan 0.000 0.905 623 L N 0.361 121.478 121.223 -0.177 0.000 3.099 623 L HA 0.597 4.799 4.340 -0.230 0.000 0.165 623 L C 0.874 177.521 176.870 -0.371 0.000 1.151 623 L CA 1.384 56.030 54.840 -0.323 0.000 0.878 623 L CB 0.083 41.956 42.059 -0.311 0.000 1.615 623 L HN 0.450 nan 8.230 nan 0.000 0.545 624 I N 2.646 123.031 120.570 -0.309 0.000 6.532 624 I HA -0.327 3.705 4.170 -0.230 0.000 0.126 624 I C 0.539 176.436 176.117 -0.368 0.000 1.811 624 I CA 0.832 61.934 61.300 -0.329 0.000 2.115 624 I CB -2.124 35.605 38.000 -0.451 0.000 3.474 624 I HN 0.840 nan 8.210 nan 0.000 0.192 625 N N -1.501 117.017 118.700 -0.303 0.000 2.994 625 N HA -0.120 4.482 4.740 -0.230 0.000 0.221 625 N C -1.691 173.733 175.510 -0.144 0.000 0.900 625 N CA 1.358 54.270 53.050 -0.229 0.000 1.008 625 N CB -1.414 36.946 38.487 -0.212 0.000 1.053 625 N HN 0.532 nan 8.380 nan 0.000 0.580 626 P HA -0.180 nan 4.420 nan 0.000 0.299 626 P C -1.197 176.078 177.300 -0.041 0.000 1.970 626 P CA 1.772 64.827 63.100 -0.074 0.000 1.766 626 P CB -0.844 30.822 31.700 -0.058 0.000 0.236 627 R N -0.837 119.654 120.500 -0.014 0.000 2.585 627 R HA 0.647 4.849 4.340 -0.230 0.000 0.278 627 R C -1.125 175.172 176.300 -0.006 0.000 1.663 627 R CA -0.385 55.706 56.100 -0.016 0.000 1.592 627 R CB -0.266 30.028 30.300 -0.010 0.000 1.200 627 R HN 0.349 nan 8.270 nan 0.000 0.611 628 T N 0.085 114.634 114.554 -0.008 0.000 3.214 628 T HA -0.121 4.091 4.350 -0.230 0.000 0.436 628 T C -0.875 173.804 174.700 -0.035 0.000 0.771 628 T CA 0.560 62.651 62.100 -0.016 0.000 2.303 628 T CB -0.896 67.962 68.868 -0.017 0.000 1.708 628 T HN 0.567 nan 8.240 nan 0.000 0.700 629 V N 2.998 122.893 119.914 -0.030 0.000 3.000 629 V HA 0.752 4.734 4.120 -0.230 0.000 0.300 629 V C 0.104 176.186 176.094 -0.019 0.000 1.251 629 V CA -0.161 62.127 62.300 -0.021 0.000 0.972 629 V CB 1.963 33.775 31.823 -0.017 0.000 1.065 629 V HN 0.911 nan 8.190 nan 0.000 0.431 630 K N 3.810 124.202 120.400 -0.014 0.000 3.077 630 K HA -0.209 3.973 4.320 -0.230 0.000 0.264 630 K C -0.506 176.093 176.600 -0.000 0.000 1.008 630 K CA 1.107 57.393 56.287 -0.002 0.000 0.740 630 K CB -1.775 30.738 32.500 0.021 0.000 1.273 630 K HN 1.184 nan 8.250 nan 0.000 0.477 631 I N 0.652 121.205 120.570 -0.028 0.000 2.880 631 I HA 0.234 4.266 4.170 -0.230 0.000 0.296 631 I C 0.468 176.550 176.117 -0.059 0.000 1.220 631 I CA 1.344 62.614 61.300 -0.050 0.000 1.435 631 I CB 0.378 38.326 38.000 -0.086 0.000 1.339 631 I HN 0.479 nan 8.210 nan 0.000 0.583 632 T N 4.906 119.423 114.554 -0.062 0.000 2.865 632 T HA 0.954 5.166 4.350 -0.230 0.000 0.294 632 T C -0.916 173.711 174.700 -0.121 0.000 1.119 632 T CA -0.062 62.005 62.100 -0.055 0.000 1.007 632 T CB 1.346 70.226 68.868 0.020 0.000 1.225 632 T HN 1.360 nan 8.240 nan 0.000 0.515 633 A N 0.620 123.374 122.820 -0.109 0.000 2.588 633 A HA 0.753 4.934 4.320 -0.230 0.000 0.290 633 A C 1.125 178.647 177.584 -0.104 0.000 1.136 633 A CA 0.036 51.967 52.037 -0.176 0.000 0.681 633 A CB 0.763 19.535 19.000 -0.380 0.000 1.282 633 A HN 1.621 nan 8.150 nan 0.000 0.421 634 S N -0.004 115.528 115.700 -0.280 0.000 2.357 634 S HA 0.151 4.483 4.470 -0.230 0.000 0.221 634 S C 0.785 175.219 174.600 -0.277 0.000 1.031 634 S CA 1.524 59.470 58.200 -0.424 0.000 0.982 634 S CB -0.528 62.141 63.200 -0.885 0.000 0.853 634 S HN 2.238 nan 8.310 nan 0.000 0.458 635 S N 0.488 116.144 115.700 -0.073 0.000 2.537 635 S HA 0.656 4.988 4.470 -0.230 0.000 0.270 635 S C -1.301 173.497 174.600 0.330 0.000 1.142 635 S CA -0.995 57.216 58.200 0.017 0.000 0.870 635 S CB 2.036 65.163 63.200 -0.121 0.000 1.112 635 S HN 0.742 nan 8.310 nan 0.000 0.466 636 E N 0.299 120.655 120.200 0.260 0.000 2.393 636 E HA 0.675 4.887 4.350 -0.230 0.000 0.273 636 E C -1.368 175.308 176.600 0.127 0.000 0.918 636 E CA -0.906 55.703 56.400 0.347 0.000 0.773 636 E CB 1.574 31.508 29.700 0.390 0.000 1.275 636 E HN 0.475 nan 8.360 nan 0.000 0.451 637 E N 0.609 120.858 120.200 0.081 0.000 2.175 637 E HA 0.359 4.571 4.350 -0.230 0.000 0.278 637 E C -0.799 175.788 176.600 -0.023 0.000 0.969 637 E CA -0.266 56.091 56.400 -0.072 0.000 0.796 637 E CB 1.671 31.273 29.700 -0.163 0.000 1.104 637 E HN 0.623 nan 8.360 nan 0.000 0.395 638 T N 1.360 115.865 114.554 -0.082 0.000 3.250 638 T HA -0.007 4.205 4.350 -0.230 0.000 0.265 638 T C 1.483 176.137 174.700 -0.077 0.000 0.973 638 T CA 0.425 62.500 62.100 -0.041 0.000 1.040 638 T CB -0.218 68.636 68.868 -0.022 0.000 1.167 638 T HN 0.366 nan 8.240 nan 0.000 0.471 639 S N 1.349 116.968 115.700 -0.136 0.000 2.354 639 S HA -0.050 4.282 4.470 -0.230 0.000 0.219 639 S C 2.343 176.849 174.600 -0.156 0.000 1.035 639 S CA 2.219 60.335 58.200 -0.140 0.000 1.037 639 S CB -1.019 62.080 63.200 -0.169 0.000 0.956 639 S HN 0.541 nan 8.310 nan 0.000 0.428 640 G N 1.308 109.910 108.800 -0.329 0.000 2.404 640 G HA2 0.047 3.869 3.960 -0.230 0.000 0.215 640 G HA3 0.047 3.869 3.960 -0.230 0.000 0.215 640 G C 0.329 175.275 174.900 0.078 0.000 1.174 640 G CA 0.962 45.909 45.100 -0.255 0.000 0.780 640 G HN 0.796 nan 8.290 nan 0.000 0.537 641 E N -0.873 119.365 120.200 0.063 0.000 2.372 641 E HA 0.288 4.500 4.350 -0.230 0.000 0.279 641 E C -1.566 175.080 176.600 0.076 0.000 0.946 641 E CA -1.065 55.414 56.400 0.130 0.000 0.769 641 E CB 0.876 30.726 29.700 0.250 0.000 1.230 641 E HN -0.073 nan 8.360 nan 0.000 0.442 642 N N 1.653 120.393 118.700 0.067 0.000 2.549 642 N HA 0.271 4.873 4.740 -0.230 0.000 0.267 642 N C -1.265 174.336 175.510 0.152 0.000 1.182 642 N CA 0.127 53.236 53.050 0.100 0.000 1.019 642 N CB 0.466 39.017 38.487 0.106 0.000 1.380 642 N HN 0.602 nan 8.380 nan 0.000 0.505 643 A N 4.234 127.160 122.820 0.176 0.000 3.410 643 A HA 0.342 4.524 4.320 -0.230 0.000 0.276 643 A C -2.552 175.232 177.584 0.335 0.000 0.995 643 A CA -0.947 51.240 52.037 0.249 0.000 0.934 643 A CB 0.493 19.559 19.000 0.111 0.000 1.191 643 A HN 0.456 nan 8.150 nan 0.000 0.511 644 P HA 0.269 nan 4.420 nan 0.000 0.277 644 P C 1.056 178.567 177.300 0.351 0.000 1.276 644 P CA 0.318 63.560 63.100 0.238 0.000 0.788 644 P CB 0.963 32.667 31.700 0.007 0.000 1.114 645 A N -0.065 122.890 122.820 0.225 0.000 2.121 645 A HA -0.122 4.060 4.320 -0.230 0.000 0.218 645 A C 2.512 180.047 177.584 -0.082 0.000 1.154 645 A CA 1.807 53.806 52.037 -0.063 0.000 0.679 645 A CB -1.630 17.224 19.000 -0.243 0.000 0.795 645 A HN 0.580 nan 8.150 nan 0.000 0.458 646 S N -0.793 114.825 115.700 -0.138 0.000 2.370 646 S HA -0.157 4.175 4.470 -0.230 0.000 0.226 646 S C 1.353 175.864 174.600 -0.148 0.000 1.033 646 S CA 1.495 59.560 58.200 -0.225 0.000 1.011 646 S CB -0.525 62.425 63.200 -0.416 0.000 0.852 646 S HN 0.493 nan 8.310 nan 0.000 0.457 647 F N 1.671 121.659 119.950 0.064 0.000 2.771 647 F HA 0.351 4.739 4.527 -0.230 0.000 0.299 647 F C 2.149 178.006 175.800 0.095 0.000 1.177 647 F CA -0.073 57.964 58.000 0.062 0.000 1.450 647 F CB -0.917 38.108 39.000 0.041 0.000 1.114 647 F HN 0.266 nan 8.300 nan 0.000 0.587 648 A N -0.303 122.651 122.820 0.223 0.000 1.897 648 A HA -0.074 4.107 4.320 -0.230 0.000 0.215 648 A C 1.807 179.445 177.584 0.090 0.000 1.181 648 A CA 1.471 53.603 52.037 0.159 0.000 0.620 648 A CB -0.695 18.311 19.000 0.010 0.000 0.821 648 A HN 0.254 nan 8.150 nan 0.000 0.443 649 S N -1.144 114.585 115.700 0.049 0.000 2.525 649 S HA 0.270 4.602 4.470 -0.230 0.000 0.242 649 S C 0.258 174.879 174.600 0.034 0.000 1.164 649 S CA 0.168 58.381 58.200 0.022 0.000 1.154 649 S CB 0.432 63.624 63.200 -0.014 0.000 0.875 649 S HN 0.340 nan 8.310 nan 0.000 0.482 650 D N 1.780 122.231 120.400 0.085 0.000 2.213 650 D HA 0.206 4.708 4.640 -0.230 0.000 0.205 650 D C 1.825 178.166 176.300 0.068 0.000 0.961 650 D CA 1.874 55.940 54.000 0.111 0.000 0.853 650 D CB -0.173 40.778 40.800 0.252 0.000 0.967 650 D HN 0.633 nan 8.370 nan 0.000 0.496 651 G N 0.088 108.916 108.800 0.047 0.000 2.358 651 G HA2 -0.248 3.574 3.960 -0.230 0.000 0.224 651 G HA3 -0.248 3.574 3.960 -0.230 0.000 0.224 651 G C 0.201 175.112 174.900 0.019 0.000 1.073 651 G CA 0.193 45.304 45.100 0.019 0.000 0.635 651 G HN 0.449 nan 8.290 nan 0.000 0.509 652 D N 1.051 121.472 120.400 0.034 0.000 2.358 652 D HA 0.356 4.857 4.640 -0.230 0.000 0.258 652 D C 1.576 177.878 176.300 0.003 0.000 1.223 652 D CA -0.066 53.940 54.000 0.009 0.000 0.886 652 D CB 1.046 41.844 40.800 -0.003 0.000 1.120 652 D HN 0.163 nan 8.370 nan 0.000 0.482 653 M N 4.647 124.242 119.600 -0.009 0.000 2.296 653 M HA -0.103 4.239 4.480 -0.230 0.000 0.265 653 M C 1.200 177.499 176.300 -0.002 0.000 1.064 653 M CA 1.219 56.512 55.300 -0.011 0.000 1.109 653 M CB -0.160 32.427 32.600 -0.023 0.000 1.396 653 M HN 0.303 nan 8.290 nan 0.000 0.430 654 N N -0.024 118.666 118.700 -0.017 0.000 2.171 654 N HA -0.043 4.559 4.740 -0.230 0.000 0.184 654 N C 0.507 176.014 175.510 -0.006 0.000 1.021 654 N CA 1.340 54.385 53.050 -0.009 0.000 0.854 654 N CB -1.039 37.423 38.487 -0.042 0.000 0.994 654 N HN 0.534 nan 8.380 nan 0.000 0.426 655 T N 0.037 114.514 114.554 -0.129 0.000 2.926 655 T HA 0.348 4.560 4.350 -0.230 0.000 0.307 655 T C 0.002 174.673 174.700 -0.049 0.000 1.059 655 T CA -0.515 61.381 62.100 -0.339 0.000 1.122 655 T CB 0.168 68.674 68.868 -0.603 0.000 0.972 655 T HN 0.168 nan 8.240 nan 0.000 0.545 656 F N -0.679 119.254 119.950 -0.029 0.000 2.613 656 F HA 0.762 5.151 4.527 -0.230 0.000 0.314 656 F C -1.139 174.847 175.800 0.311 0.000 1.075 656 F CA -2.478 55.600 58.000 0.130 0.000 0.945 656 F CB 0.907 39.935 39.000 0.048 0.000 1.310 656 F HN 0.827 nan 8.300 nan 0.000 0.467 657 W N 3.119 124.668 121.300 0.415 0.000 2.438 657 W HA 0.607 5.129 4.660 -0.230 0.000 0.324 657 W C -1.593 175.182 176.519 0.426 0.000 1.119 657 W CA -0.450 57.106 57.345 0.353 0.000 1.221 657 W CB 0.794 30.389 29.460 0.225 0.000 1.253 657 W HN 0.757 nan 8.180 nan 0.000 0.555 658 H N 3.227 121.964 119.070 -0.555 0.000 2.717 658 H HA 0.332 4.749 4.556 -0.230 0.000 0.366 658 H C -0.226 174.580 175.328 -0.869 0.000 1.132 658 H CA -0.314 55.348 56.048 -0.643 0.000 1.180 658 H CB 2.249 32.036 29.762 0.041 0.000 1.678 658 H HN 0.544 nan 8.280 nan 0.000 0.537 659 S N 3.063 118.485 115.700 -0.464 0.000 2.589 659 S HA 0.087 4.419 4.470 -0.230 0.000 0.265 659 S C 0.356 175.103 174.600 0.244 0.000 1.342 659 S CA -0.757 57.417 58.200 -0.043 0.000 1.005 659 S CB 0.868 64.059 63.200 -0.015 0.000 0.909 659 S HN 0.611 nan 8.310 nan 0.000 0.555 660 K N 2.110 122.627 120.400 0.194 0.000 2.307 660 K HA 0.030 4.212 4.320 -0.230 0.000 0.285 660 K C 0.825 177.537 176.600 0.186 0.000 1.073 660 K CA -0.235 56.096 56.287 0.074 0.000 0.996 660 K CB -0.149 32.397 32.500 0.076 0.000 0.994 660 K HN 0.918 nan 8.250 nan 0.000 0.452 661 W N 2.283 123.665 121.300 0.136 0.000 2.762 661 W HA 0.121 4.643 4.660 -0.230 0.000 0.265 661 W C -0.226 176.361 176.519 0.113 0.000 1.263 661 W CA -0.573 56.896 57.345 0.207 0.000 1.411 661 W CB -0.425 29.112 29.460 0.129 0.000 1.065 661 W HN 0.184 nan 8.180 nan 0.000 0.609 662 S N 2.122 117.509 115.700 -0.522 0.000 2.568 662 S HA 0.063 4.395 4.470 -0.230 0.000 0.282 662 S C 0.335 174.876 174.600 -0.099 0.000 1.338 662 S CA -0.060 57.891 58.200 -0.415 0.000 1.045 662 S CB 1.389 64.158 63.200 -0.719 0.000 0.873 662 S HN 0.155 nan 8.310 nan 0.000 0.516 663 S N 3.080 118.772 115.700 -0.013 0.000 2.516 663 S HA 0.260 4.592 4.470 -0.230 0.000 0.282 663 S C -2.291 172.301 174.600 -0.012 0.000 1.286 663 S CA -1.263 56.948 58.200 0.019 0.000 1.066 663 S CB -0.285 62.938 63.200 0.039 0.000 0.884 663 S HN 0.425 nan 8.310 nan 0.000 0.491 664 P HA 0.398 nan 4.420 nan 0.000 0.292 664 P C -1.018 176.307 177.300 0.042 0.000 1.326 664 P CA -0.526 62.588 63.100 0.022 0.000 0.787 664 P CB 0.933 32.643 31.700 0.017 0.000 0.903 665 A N 3.294 126.156 122.820 0.070 0.000 2.388 665 A HA 0.214 4.396 4.320 -0.230 0.000 0.257 665 A C -0.008 177.649 177.584 0.121 0.000 1.095 665 A CA -0.288 51.823 52.037 0.123 0.000 0.791 665 A CB -0.099 19.016 19.000 0.192 0.000 1.029 665 A HN 0.685 nan 8.150 nan 0.000 0.489 666 H N 2.072 121.197 119.070 0.091 0.000 2.690 666 H HA 0.215 4.633 4.556 -0.230 0.000 0.289 666 H C -0.365 175.023 175.328 0.100 0.000 1.089 666 H CA 0.038 56.131 56.048 0.075 0.000 1.299 666 H CB 0.500 30.315 29.762 0.088 0.000 1.405 666 H HN 0.750 nan 8.280 nan 0.000 0.463 667 E N 4.098 124.275 120.200 -0.038 0.000 2.354 667 E HA 0.252 4.464 4.350 -0.230 0.000 0.252 667 E C 0.882 177.376 176.600 -0.176 0.000 1.330 667 E CA -0.109 56.278 56.400 -0.022 0.000 1.658 667 E CB 0.223 29.862 29.700 -0.102 0.000 1.460 667 E HN 0.991 nan 8.360 nan 0.000 0.435 668 G N 2.500 111.094 108.800 -0.344 0.000 2.750 668 G HA2 -0.236 3.586 3.960 -0.230 0.000 0.228 668 G HA3 -0.236 3.586 3.960 -0.230 0.000 0.228 668 G C -2.444 172.331 174.900 -0.209 0.000 1.367 668 G CA -1.245 43.397 45.100 -0.763 0.000 0.871 668 G HN 0.207 nan 8.290 nan 0.000 0.560 669 P HA 0.372 nan 4.420 nan 0.000 0.267 669 P C -0.115 177.104 177.300 -0.135 0.000 1.205 669 P CA 0.301 63.323 63.100 -0.130 0.000 0.765 669 P CB 0.200 31.916 31.700 0.027 0.000 0.828 670 H N 1.298 120.442 119.070 0.122 0.000 2.482 670 H HA 0.538 4.956 4.556 -0.230 0.000 0.344 670 H C 0.472 175.841 175.328 0.069 0.000 1.151 670 H CA -0.149 55.931 56.048 0.054 0.000 1.300 670 H CB 0.765 30.640 29.762 0.189 0.000 1.494 670 H HN 0.568 nan 8.280 nan 0.000 0.542 671 H N 0.552 119.746 119.070 0.207 0.000 3.112 671 H HA 0.240 4.658 4.556 -0.230 0.000 0.347 671 H C -1.705 173.566 175.328 -0.095 0.000 1.188 671 H CA -0.950 55.121 56.048 0.038 0.000 1.240 671 H CB 0.752 30.490 29.762 -0.041 0.000 1.920 671 H HN 0.283 nan 8.280 nan 0.000 0.535 672 L N 2.332 123.539 121.223 -0.028 0.000 2.322 672 L HA 0.432 4.634 4.340 -0.230 0.000 0.279 672 L C 0.071 176.899 176.870 -0.069 0.000 1.036 672 L CA -0.285 54.451 54.840 -0.174 0.000 0.807 672 L CB 1.697 43.620 42.059 -0.226 0.000 1.226 672 L HN 0.798 nan 8.230 nan 0.000 0.433 673 T N 4.011 118.532 114.554 -0.055 0.000 2.963 673 T HA 0.459 4.671 4.350 -0.230 0.000 0.328 673 T C -0.282 174.459 174.700 0.069 0.000 1.048 673 T CA -0.437 61.675 62.100 0.020 0.000 1.033 673 T CB 1.014 69.916 68.868 0.056 0.000 1.010 673 T HN 0.116 nan 8.240 nan 0.000 0.469 674 L N 2.894 124.167 121.223 0.082 0.000 2.276 674 L HA 0.456 4.658 4.340 -0.230 0.000 0.286 674 L C 0.650 177.574 176.870 0.090 0.000 1.061 674 L CA -0.284 54.591 54.840 0.059 0.000 0.807 674 L CB 0.758 42.833 42.059 0.027 0.000 1.177 674 L HN 0.587 nan 8.230 nan 0.000 0.429 675 E N 3.344 123.564 120.200 0.033 0.000 2.259 675 E HA 0.441 4.653 4.350 -0.230 0.000 0.281 675 E C -1.029 175.487 176.600 -0.141 0.000 1.027 675 E CA -0.523 55.798 56.400 -0.131 0.000 0.838 675 E CB 0.815 30.476 29.700 -0.065 0.000 1.066 675 E HN 0.471 nan 8.360 nan 0.000 0.401 676 L N 3.465 124.560 121.223 -0.214 0.000 2.375 676 L HA 0.181 4.383 4.340 -0.230 0.000 0.268 676 L C 1.371 178.235 176.870 -0.009 0.000 1.058 676 L CA -0.688 54.129 54.840 -0.039 0.000 0.803 676 L CB 1.025 43.131 42.059 0.079 0.000 1.212 676 L HN 0.758 nan 8.230 nan 0.000 0.451 677 D N 0.853 121.335 120.400 0.137 0.000 2.123 677 D HA -0.109 4.393 4.640 -0.230 0.000 0.200 677 D C 0.377 176.694 176.300 0.029 0.000 0.976 677 D CA 0.938 54.989 54.000 0.085 0.000 0.831 677 D CB 0.232 41.105 40.800 0.122 0.000 0.974 677 D HN 0.641 nan 8.370 nan 0.000 0.469 678 N N -1.203 117.511 118.700 0.022 0.000 2.525 678 N HA 0.331 4.932 4.740 -0.230 0.000 0.270 678 N C -1.325 173.957 175.510 -0.380 0.000 1.321 678 N CA -0.861 52.061 53.050 -0.215 0.000 0.797 678 N CB 2.416 40.718 38.487 -0.309 0.000 1.529 678 N HN -0.218 nan 8.380 nan 0.000 0.491 679 V N 1.784 121.502 119.914 -0.326 0.000 2.673 679 V HA 0.133 4.115 4.120 -0.230 0.000 0.303 679 V C -0.817 175.027 176.094 -0.417 0.000 1.046 679 V CA 0.591 62.750 62.300 -0.235 0.000 1.126 679 V CB -0.641 31.098 31.823 -0.139 0.000 0.934 679 V HN 0.520 nan 8.190 nan 0.000 0.487 680 Y N 0.928 121.232 120.300 0.007 0.000 2.492 680 Y HA 0.389 4.801 4.550 -0.230 0.000 0.346 680 Y C 0.220 176.146 175.900 0.044 0.000 0.997 680 Y CA -0.911 57.201 58.100 0.021 0.000 1.025 680 Y CB 1.608 40.076 38.460 0.013 0.000 1.263 680 Y HN 0.685 nan 8.280 nan 0.000 0.454 681 E N 4.632 124.955 120.200 0.204 0.000 2.324 681 E HA 0.406 4.618 4.350 -0.230 0.000 0.271 681 E C -1.088 175.614 176.600 0.170 0.000 1.028 681 E CA -0.116 56.379 56.400 0.159 0.000 0.890 681 E CB 0.453 30.224 29.700 0.118 0.000 1.004 681 E HN 0.601 nan 8.360 nan 0.000 0.431 682 I N 1.906 122.585 120.570 0.182 0.000 2.656 682 I HA 0.439 4.470 4.170 -0.230 0.000 0.292 682 I C -0.749 175.475 176.117 0.178 0.000 1.144 682 I CA -1.049 60.350 61.300 0.164 0.000 1.038 682 I CB 2.028 40.141 38.000 0.188 0.000 1.244 682 I HN 0.416 nan 8.210 nan 0.000 0.420 683 N N 2.997 121.688 118.700 -0.015 0.000 2.240 683 N HA 0.276 4.878 4.740 -0.230 0.000 0.240 683 N C -0.617 174.572 175.510 -0.536 0.000 1.277 683 N CA -0.588 52.333 53.050 -0.215 0.000 0.873 683 N CB 0.752 39.207 38.487 -0.054 0.000 1.222 683 N HN 0.725 nan 8.380 nan 0.000 0.507 684 K N 0.526 120.637 120.400 -0.482 0.000 2.575 684 K HA 0.320 4.502 4.320 -0.230 0.000 0.255 684 K C -2.071 174.467 176.600 -0.102 0.000 0.953 684 K CA -0.544 55.545 56.287 -0.331 0.000 0.840 684 K CB 1.998 34.414 32.500 -0.139 0.000 1.303 684 K HN -0.096 nan 8.250 nan 0.000 0.438 685 V N 4.547 124.417 119.914 -0.073 0.000 2.326 685 V HA 0.304 4.286 4.120 -0.230 0.000 0.281 685 V C -0.160 175.983 176.094 0.082 0.000 1.015 685 V CA -0.816 61.532 62.300 0.080 0.000 0.823 685 V CB 1.323 33.215 31.823 0.115 0.000 1.009 685 V HN 0.636 nan 8.190 nan 0.000 0.436 686 K N 4.349 124.842 120.400 0.155 0.000 2.297 686 K HA 0.304 4.486 4.320 -0.230 0.000 0.286 686 K C -1.293 175.295 176.600 -0.020 0.000 1.053 686 K CA -0.379 55.888 56.287 -0.035 0.000 0.940 686 K CB 0.641 33.176 32.500 0.058 0.000 1.019 686 K HN 0.716 nan 8.250 nan 0.000 0.475 687 Y N 2.893 123.038 120.300 -0.258 0.000 2.338 687 Y HA 0.453 4.865 4.550 -0.230 0.000 0.328 687 Y C -1.134 174.651 175.900 -0.193 0.000 0.965 687 Y CA -0.802 57.192 58.100 -0.177 0.000 1.208 687 Y CB 1.322 39.682 38.460 -0.167 0.000 1.132 687 Y HN 0.636 nan 8.280 nan 0.000 0.469 688 A N 9.578 132.046 122.820 -0.586 0.000 2.280 688 A HA 0.550 4.732 4.320 -0.230 0.000 0.320 688 A C -2.805 174.327 177.584 -0.752 0.000 1.366 688 A CA -1.844 49.859 52.037 -0.557 0.000 0.938 688 A CB -0.033 18.797 19.000 -0.283 0.000 1.157 688 A HN 0.564 nan 8.150 nan 0.000 0.536 689 P HA 0.148 nan 4.420 nan 0.000 0.276 689 P C -0.273 176.860 177.300 -0.278 0.000 1.252 689 P CA -0.692 62.059 63.100 -0.582 0.000 0.802 689 P CB 0.605 32.103 31.700 -0.336 0.000 1.035 690 R N 1.345 121.722 120.500 -0.205 0.000 2.473 690 R HA -0.110 4.092 4.340 -0.230 0.000 0.315 690 R C 1.386 177.565 176.300 -0.202 0.000 0.972 690 R CA 0.358 56.318 56.100 -0.234 0.000 1.047 690 R CB 0.072 30.136 30.300 -0.394 0.000 0.932 690 R HN 0.393 nan 8.270 nan 0.000 0.411 691 Q N 2.679 122.387 119.800 -0.154 0.000 2.062 691 Q HA -0.152 4.049 4.340 -0.230 0.000 0.196 691 Q C 1.240 177.170 176.000 -0.116 0.000 0.967 691 Q CA 2.177 57.910 55.803 -0.117 0.000 0.832 691 Q CB 0.182 28.872 28.738 -0.079 0.000 0.899 691 Q HN 0.828 nan 8.270 nan 0.000 0.442 692 D N -1.188 119.135 120.400 -0.128 0.000 2.144 692 D HA -0.059 4.443 4.640 -0.230 0.000 0.200 692 D C 0.423 176.634 176.300 -0.149 0.000 0.978 692 D CA 0.683 54.613 54.000 -0.117 0.000 0.833 692 D CB -0.011 40.735 40.800 -0.089 0.000 0.961 692 D HN 0.088 nan 8.370 nan 0.000 0.470 693 S N -1.062 114.509 115.700 -0.215 0.000 2.568 693 S HA 0.336 4.668 4.470 -0.230 0.000 0.293 693 S C 0.283 174.765 174.600 -0.197 0.000 1.089 693 S CA -0.848 57.223 58.200 -0.215 0.000 0.945 693 S CB 2.413 65.444 63.200 -0.282 0.000 1.077 693 S HN 0.062 nan 8.310 nan 0.000 0.485 694 K N 2.168 122.475 120.400 -0.154 0.000 2.305 694 K HA 0.131 4.313 4.320 -0.230 0.000 0.199 694 K C -0.102 176.421 176.600 -0.128 0.000 1.047 694 K CA 0.301 56.519 56.287 -0.115 0.000 0.976 694 K CB -0.207 32.247 32.500 -0.077 0.000 0.765 694 K HN 0.682 nan 8.250 nan 0.000 0.474 695 N N 0.799 119.388 118.700 -0.184 0.000 2.394 695 N HA -0.009 4.593 4.740 -0.230 0.000 0.277 695 N C 0.148 175.513 175.510 -0.241 0.000 1.346 695 N CA 0.830 53.753 53.050 -0.212 0.000 0.910 695 N CB 0.462 38.757 38.487 -0.321 0.000 1.201 695 N HN 0.379 nan 8.380 nan 0.000 0.488 696 G N 1.689 110.428 108.800 -0.101 0.000 2.149 696 G HA2 -0.322 3.499 3.960 -0.230 0.000 0.235 696 G HA3 -0.322 3.499 3.960 -0.230 0.000 0.235 696 G C 0.022 174.880 174.900 -0.070 0.000 1.018 696 G CA -0.562 44.468 45.100 -0.115 0.000 0.728 696 G HN 0.560 nan 8.290 nan 0.000 0.508 697 R N -0.291 120.200 120.500 -0.016 0.000 2.401 697 R HA 0.357 4.559 4.340 -0.230 0.000 0.299 697 R C 0.936 177.296 176.300 0.100 0.000 1.064 697 R CA -0.232 55.910 56.100 0.070 0.000 1.000 697 R CB 0.491 30.820 30.300 0.048 0.000 0.973 697 R HN 0.367 nan 8.270 nan 0.000 0.438 698 I N 3.504 124.163 120.570 0.148 0.000 2.421 698 I HA -0.035 3.997 4.170 -0.230 0.000 0.291 698 I C 1.407 177.555 176.117 0.051 0.000 1.089 698 I CA 0.381 61.694 61.300 0.022 0.000 1.354 698 I CB 0.876 38.734 38.000 -0.237 0.000 1.413 698 I HN 0.740 nan 8.210 nan 0.000 0.513 699 T N 1.026 115.622 114.554 0.070 0.000 3.092 699 T HA 0.351 4.563 4.350 -0.230 0.000 0.258 699 T C 0.491 175.244 174.700 0.088 0.000 1.031 699 T CA -0.353 61.797 62.100 0.083 0.000 0.925 699 T CB 0.320 69.228 68.868 0.066 0.000 1.036 699 T HN 0.686 nan 8.240 nan 0.000 0.544 700 G N 1.000 109.857 108.800 0.094 0.000 2.659 700 G HA2 0.536 4.358 3.960 -0.230 0.000 0.291 700 G HA3 0.536 4.358 3.960 -0.230 0.000 0.291 700 G C -1.333 173.625 174.900 0.097 0.000 1.379 700 G CA -1.023 44.116 45.100 0.065 0.000 1.254 700 G HN 0.418 nan 8.290 nan 0.000 0.590 701 Y N -0.282 120.003 120.300 -0.025 0.000 2.662 701 Y HA 0.892 5.304 4.550 -0.230 0.000 0.335 701 Y C -0.400 175.492 175.900 -0.012 0.000 1.066 701 Y CA -1.926 56.154 58.100 -0.034 0.000 1.116 701 Y CB 2.381 40.798 38.460 -0.070 0.000 1.308 701 Y HN 0.479 nan 8.280 nan 0.000 0.502 702 K N 2.075 122.554 120.400 0.131 0.000 2.793 702 K HA 0.464 4.646 4.320 -0.230 0.000 0.269 702 K C -2.375 174.282 176.600 0.094 0.000 1.124 702 K CA -0.341 55.960 56.287 0.024 0.000 1.074 702 K CB 1.239 33.720 32.500 -0.030 0.000 1.322 702 K HN 0.702 nan 8.250 nan 0.000 0.532 703 V N 2.600 122.616 119.914 0.171 0.000 2.498 703 V HA 0.399 4.381 4.120 -0.230 0.000 0.279 703 V C -0.013 176.068 176.094 -0.021 0.000 1.048 703 V CA -0.191 62.173 62.300 0.106 0.000 0.967 703 V CB 1.450 33.394 31.823 0.202 0.000 0.988 703 V HN 0.713 nan 8.190 nan 0.000 0.473 704 S N 2.542 118.228 115.700 -0.024 0.000 2.632 704 S HA 0.851 5.182 4.470 -0.230 0.000 0.289 704 S C -0.534 174.148 174.600 0.137 0.000 1.115 704 S CA -0.671 57.538 58.200 0.014 0.000 0.889 704 S CB 2.235 65.449 63.200 0.023 0.000 1.116 704 S HN 0.856 nan 8.310 nan 0.000 0.486 705 V N -1.088 118.945 119.914 0.198 0.000 3.040 705 V HA 1.033 5.015 4.120 -0.230 0.000 0.312 705 V C -0.399 175.823 176.094 0.213 0.000 1.115 705 V CA -0.556 61.888 62.300 0.239 0.000 0.998 705 V CB 1.623 33.507 31.823 0.103 0.000 1.042 705 V HN 0.836 nan 8.190 nan 0.000 0.433 706 S N 0.756 116.528 115.700 0.120 0.000 2.565 706 S HA 0.663 4.995 4.470 -0.230 0.000 0.269 706 S C -0.319 174.304 174.600 0.038 0.000 1.153 706 S CA -0.597 57.535 58.200 -0.113 0.000 0.835 706 S CB 1.857 64.608 63.200 -0.749 0.000 1.122 706 S HN 0.858 nan 8.310 nan 0.000 0.462 707 L N 1.792 123.008 121.223 -0.011 0.000 2.701 707 L HA 0.326 4.528 4.340 -0.230 0.000 0.238 707 L C 0.977 177.895 176.870 0.080 0.000 1.106 707 L CA 0.369 55.247 54.840 0.063 0.000 0.898 707 L CB -0.052 42.016 42.059 0.014 0.000 1.188 707 L HN 0.777 nan 8.230 nan 0.000 0.508 708 D N -1.702 118.659 120.400 -0.064 0.000 2.455 708 D HA 0.167 4.669 4.640 -0.230 0.000 0.228 708 D C 1.537 177.604 176.300 -0.389 0.000 1.070 708 D CA 0.804 54.732 54.000 -0.120 0.000 0.881 708 D CB 0.562 41.275 40.800 -0.144 0.000 1.087 708 D HN 0.065 nan 8.370 nan 0.000 0.498 709 G N -0.049 108.236 108.800 -0.858 0.000 2.232 709 G HA2 -0.286 3.536 3.960 -0.230 0.000 0.226 709 G HA3 -0.286 3.536 3.960 -0.230 0.000 0.226 709 G C 1.163 175.590 174.900 -0.789 0.000 0.996 709 G CA 0.369 44.611 45.100 -1.430 0.000 0.626 709 G HN 0.254 nan 8.290 nan 0.000 0.509 710 E N 0.329 120.213 120.200 -0.526 0.000 2.201 710 E HA 0.081 4.293 4.350 -0.230 0.000 0.193 710 E C 0.308 176.749 176.600 -0.264 0.000 0.957 710 E CA 0.284 56.511 56.400 -0.287 0.000 0.858 710 E CB 0.035 29.628 29.700 -0.177 0.000 0.816 710 E HN 0.467 nan 8.360 nan 0.000 0.475 711 N N 1.091 119.577 118.700 -0.357 0.000 2.609 711 N HA 0.225 4.827 4.740 -0.230 0.000 0.234 711 N C -0.873 174.449 175.510 -0.313 0.000 1.001 711 N CA -0.105 52.809 53.050 -0.227 0.000 0.926 711 N CB 0.335 38.735 38.487 -0.146 0.000 1.130 711 N HN -0.112 nan 8.380 nan 0.000 0.510 712 F N 0.066 119.974 119.950 -0.070 0.000 2.377 712 F HA 0.385 4.773 4.527 -0.230 0.000 0.328 712 F C 1.579 177.351 175.800 -0.047 0.000 1.094 712 F CA -0.237 57.730 58.000 -0.054 0.000 1.093 712 F CB 1.393 40.355 39.000 -0.064 0.000 1.214 712 F HN 0.124 nan 8.300 nan 0.000 0.518 713 T N -0.199 114.455 114.554 0.166 0.000 2.678 713 T HA 0.446 4.658 4.350 -0.230 0.000 0.260 713 T C -1.358 173.373 174.700 0.052 0.000 0.932 713 T CA -0.514 61.627 62.100 0.068 0.000 1.043 713 T CB 1.454 70.337 68.868 0.026 0.000 1.413 713 T HN 0.688 nan 8.240 nan 0.000 0.568 714 E N -0.778 119.419 120.200 -0.005 0.000 2.369 714 E HA 0.574 4.786 4.350 -0.230 0.000 0.270 714 E C -0.093 176.443 176.600 -0.107 0.000 0.909 714 E CA -0.756 55.616 56.400 -0.046 0.000 0.775 714 E CB 2.036 31.713 29.700 -0.038 0.000 1.270 714 E HN 0.443 nan 8.360 nan 0.000 0.445 715 V N -0.083 119.718 119.914 -0.189 0.000 3.193 715 V HA 0.487 4.469 4.120 -0.230 0.000 0.237 715 V C -0.012 175.956 176.094 -0.211 0.000 1.447 715 V CA 0.082 62.185 62.300 -0.327 0.000 1.227 715 V CB 0.546 31.869 31.823 -0.833 0.000 1.040 715 V HN 0.519 nan 8.190 nan 0.000 0.458 716 K N 0.347 120.679 120.400 -0.112 0.000 2.557 716 K HA 0.621 4.803 4.320 -0.230 0.000 0.257 716 K C -1.609 174.997 176.600 0.010 0.000 0.933 716 K CA -0.028 56.292 56.287 0.054 0.000 0.820 716 K CB 2.488 35.163 32.500 0.290 0.000 1.330 716 K HN 0.244 nan 8.250 nan 0.000 0.432 717 T N 1.638 116.132 114.554 -0.100 0.000 2.824 717 T HA 0.788 5.000 4.350 -0.230 0.000 0.282 717 T C -0.640 173.821 174.700 -0.398 0.000 0.993 717 T CA -0.489 61.439 62.100 -0.287 0.000 0.967 717 T CB 1.622 70.387 68.868 -0.171 0.000 0.960 717 T HN 0.795 nan 8.240 nan 0.000 0.441 718 G N 1.401 109.709 108.800 -0.819 0.000 2.554 718 G HA2 0.682 4.504 3.960 -0.230 0.000 0.306 718 G HA3 0.682 4.504 3.960 -0.230 0.000 0.306 718 G C -0.774 173.838 174.900 -0.481 0.000 1.320 718 G CA -0.487 44.295 45.100 -0.529 0.000 0.800 718 G HN 0.840 nan 8.290 nan 0.000 0.481 719 T N -1.976 112.529 114.554 -0.082 0.000 2.927 719 T HA 0.827 5.039 4.350 -0.230 0.000 0.286 719 T C -0.530 174.295 174.700 0.208 0.000 1.040 719 T CA -0.784 61.353 62.100 0.063 0.000 1.010 719 T CB 1.771 70.658 68.868 0.032 0.000 1.177 719 T HN 0.578 nan 8.240 nan 0.000 0.546 720 L N 1.070 122.399 121.223 0.176 0.000 2.431 720 L HA 0.452 4.654 4.340 -0.230 0.000 0.266 720 L C 0.072 177.006 176.870 0.106 0.000 0.978 720 L CA -1.185 53.750 54.840 0.158 0.000 0.822 720 L CB 2.312 44.469 42.059 0.163 0.000 1.310 720 L HN 0.889 nan 8.230 nan 0.000 0.409 721 E N 0.190 120.444 120.200 0.089 0.000 2.376 721 E HA 0.008 4.220 4.350 -0.230 0.000 0.266 721 E C -0.784 175.852 176.600 0.060 0.000 1.009 721 E CA -0.560 55.879 56.400 0.064 0.000 0.902 721 E CB 0.944 30.676 29.700 0.053 0.000 0.972 721 E HN 0.402 nan 8.360 nan 0.000 0.439 722 D N 3.540 123.968 120.400 0.046 0.000 2.367 722 D HA 0.062 4.564 4.640 -0.230 0.000 0.255 722 D C -1.074 175.240 176.300 0.023 0.000 1.300 722 D CA 0.147 54.170 54.000 0.039 0.000 0.959 722 D CB -0.320 40.497 40.800 0.030 0.000 1.064 722 D HN 0.607 nan 8.370 nan 0.000 0.509 723 N N 0.916 119.628 118.700 0.020 0.000 3.308 723 N HA 0.368 4.970 4.740 -0.230 0.000 0.276 723 N C -0.513 174.986 175.510 -0.019 0.000 1.533 723 N CA -0.541 52.508 53.050 -0.002 0.000 0.878 723 N CB 0.430 38.917 38.487 0.000 0.000 1.566 723 N HN -0.019 nan 8.380 nan 0.000 0.546 724 A N -1.148 121.648 122.820 -0.039 0.000 2.251 724 A HA 0.657 4.839 4.320 -0.230 0.000 0.209 724 A C 0.763 178.299 177.584 -0.080 0.000 1.187 724 A CA 0.376 52.372 52.037 -0.068 0.000 0.823 724 A CB -1.131 17.828 19.000 -0.070 0.000 0.846 724 A HN 0.918 nan 8.150 nan 0.000 0.486 725 A N 0.145 122.932 122.820 -0.055 0.000 2.445 725 A HA 0.509 4.691 4.320 -0.230 0.000 0.242 725 A C 0.175 177.694 177.584 -0.107 0.000 1.075 725 A CA -0.234 51.768 52.037 -0.057 0.000 0.777 725 A CB -0.113 18.877 19.000 -0.017 0.000 1.013 725 A HN 0.399 nan 8.150 nan 0.000 0.493 726 I N 1.956 122.437 120.570 -0.150 0.000 2.452 726 I HA 0.075 4.107 4.170 -0.230 0.000 0.287 726 I C 0.046 175.979 176.117 -0.307 0.000 1.079 726 I CA 0.024 61.156 61.300 -0.280 0.000 1.387 726 I CB 0.619 38.417 38.000 -0.337 0.000 1.404 726 I HN 0.559 nan 8.210 nan 0.000 0.522 727 K N 6.205 126.460 120.400 -0.242 0.000 2.172 727 K HA 0.431 4.612 4.320 -0.230 0.000 0.276 727 K C -0.983 175.438 176.600 -0.297 0.000 1.013 727 K CA -0.029 56.183 56.287 -0.124 0.000 0.913 727 K CB 0.708 33.254 32.500 0.077 0.000 1.055 727 K HN 0.230 nan 8.250 nan 0.000 0.461 728 F N 3.396 123.334 119.950 -0.020 0.000 2.332 728 F HA 0.384 4.772 4.527 -0.230 0.000 0.368 728 F C 0.068 175.826 175.800 -0.070 0.000 1.110 728 F CA -0.695 57.267 58.000 -0.064 0.000 1.087 728 F CB 0.512 39.456 39.000 -0.093 0.000 1.235 728 F HN 0.248 nan 8.300 nan 0.000 0.470 729 I N 3.941 124.531 120.570 0.032 0.000 2.301 729 I HA 0.195 4.227 4.170 -0.230 0.000 0.292 729 I C -0.246 175.846 176.117 -0.041 0.000 1.046 729 I CA -0.094 61.201 61.300 -0.008 0.000 1.282 729 I CB 0.624 38.518 38.000 -0.176 0.000 1.409 729 I HN 0.536 nan 8.210 nan 0.000 0.484 730 E N 7.134 127.335 120.200 0.001 0.000 2.165 730 E HA 0.534 4.746 4.350 -0.230 0.000 0.266 730 E C -1.127 175.466 176.600 -0.011 0.000 0.889 730 E CA -0.545 55.776 56.400 -0.132 0.000 0.756 730 E CB 1.677 31.340 29.700 -0.062 0.000 1.131 730 E HN 0.418 nan 8.360 nan 0.000 0.411 731 F N -1.070 118.928 119.950 0.081 0.000 2.706 731 F HA 0.521 4.910 4.527 -0.230 0.000 0.328 731 F C -0.335 175.500 175.800 0.059 0.000 1.123 731 F CA -1.580 56.465 58.000 0.075 0.000 0.978 731 F CB 0.402 39.456 39.000 0.090 0.000 1.404 731 F HN 0.055 nan 8.300 nan 0.000 0.497 732 D N 0.940 121.577 120.400 0.395 0.000 2.399 732 D HA 0.153 4.655 4.640 -0.230 0.000 0.241 732 D C -0.255 176.221 176.300 0.293 0.000 1.133 732 D CA 0.137 54.282 54.000 0.241 0.000 0.890 732 D CB 1.216 42.114 40.800 0.164 0.000 1.201 732 D HN 0.550 nan 8.370 nan 0.000 0.432 733 S N 0.302 116.106 115.700 0.172 0.000 2.563 733 S HA 0.248 4.580 4.470 -0.230 0.000 0.294 733 S C 0.109 174.810 174.600 0.168 0.000 1.279 733 S CA -0.417 57.879 58.200 0.160 0.000 1.069 733 S CB 0.706 63.964 63.200 0.097 0.000 0.828 733 S HN 0.366 nan 8.310 nan 0.000 0.497 734 V N 3.626 123.653 119.914 0.189 0.000 2.950 734 V HA 0.268 4.250 4.120 -0.230 0.000 0.295 734 V C -1.521 174.657 176.094 0.140 0.000 1.297 734 V CA -1.010 61.376 62.300 0.143 0.000 0.962 734 V CB 2.122 34.020 31.823 0.125 0.000 1.081 734 V HN 0.850 nan 8.190 nan 0.000 0.432 735 D N 4.369 124.828 120.400 0.098 0.000 2.382 735 D HA 0.662 5.164 4.640 -0.230 0.000 0.245 735 D C 0.060 176.415 176.300 0.091 0.000 1.120 735 D CA 0.791 54.844 54.000 0.088 0.000 0.890 735 D CB 1.893 42.723 40.800 0.050 0.000 1.201 735 D HN 1.131 nan 8.370 nan 0.000 0.433 736 A N 1.721 124.603 122.820 0.103 0.000 2.577 736 A HA 0.313 4.495 4.320 -0.230 0.000 0.297 736 A C 0.172 177.810 177.584 0.089 0.000 1.060 736 A CA -0.680 51.422 52.037 0.110 0.000 0.697 736 A CB 1.631 20.721 19.000 0.150 0.000 1.281 736 A HN 0.476 nan 8.150 nan 0.000 0.402 737 K N -0.246 120.193 120.400 0.064 0.000 2.380 737 K HA 0.329 4.511 4.320 -0.230 0.000 0.198 737 K C -1.228 175.191 176.600 -0.301 0.000 1.070 737 K CA 0.530 56.767 56.287 -0.083 0.000 1.040 737 K CB 0.361 32.805 32.500 -0.093 0.000 0.903 737 K HN 0.663 nan 8.250 nan 0.000 0.549 738 Y N -0.179 120.175 120.300 0.090 0.000 2.354 738 Y HA 0.305 4.717 4.550 -0.230 0.000 0.330 738 Y C -0.983 175.080 175.900 0.271 0.000 1.011 738 Y CA -1.108 57.096 58.100 0.173 0.000 1.099 738 Y CB 2.085 40.640 38.460 0.158 0.000 1.179 738 Y HN -0.378 nan 8.280 nan 0.000 0.442 739 V N 4.614 124.726 119.914 0.329 0.000 2.328 739 V HA 0.482 4.464 4.120 -0.230 0.000 0.278 739 V C -0.155 176.034 176.094 0.159 0.000 1.021 739 V CA -0.841 61.603 62.300 0.240 0.000 0.838 739 V CB 1.247 33.168 31.823 0.164 0.000 0.999 739 V HN 0.692 nan 8.190 nan 0.000 0.447 740 R N 3.898 124.434 120.500 0.060 0.000 2.474 740 R HA 0.705 4.907 4.340 -0.230 0.000 0.295 740 R C -1.296 174.959 176.300 -0.074 0.000 0.980 740 R CA -0.795 55.200 56.100 -0.176 0.000 0.934 740 R CB 1.415 31.311 30.300 -0.673 0.000 1.101 740 R HN 0.551 nan 8.270 nan 0.000 0.469 741 L N 4.403 125.592 121.223 -0.057 0.000 2.454 741 L HA 0.352 4.554 4.340 -0.230 0.000 0.258 741 L C -1.491 175.403 176.870 0.041 0.000 1.025 741 L CA -0.271 54.575 54.840 0.009 0.000 0.901 741 L CB 1.393 43.454 42.059 0.004 0.000 1.210 741 L HN 0.622 nan 8.230 nan 0.000 0.457 742 D N 3.691 124.113 120.400 0.036 0.000 2.317 742 D HA 0.188 4.690 4.640 -0.230 0.000 0.252 742 D C -0.226 176.140 176.300 0.110 0.000 1.174 742 D CA 0.004 54.049 54.000 0.076 0.000 0.866 742 D CB 2.222 43.023 40.800 0.002 0.000 1.127 742 D HN 0.207 nan 8.370 nan 0.000 0.467 743 V N 2.923 122.930 119.914 0.155 0.000 2.455 743 V HA 0.070 4.051 4.120 -0.230 0.000 0.273 743 V C 1.646 177.813 176.094 0.122 0.000 1.045 743 V CA -0.022 62.369 62.300 0.151 0.000 0.976 743 V CB 1.012 32.965 31.823 0.216 0.000 0.993 743 V HN 0.688 nan 8.190 nan 0.000 0.475 744 T N -0.805 113.797 114.554 0.080 0.000 3.023 744 T HA 0.195 4.406 4.350 -0.230 0.000 0.253 744 T C 0.167 174.896 174.700 0.048 0.000 1.038 744 T CA 0.097 62.225 62.100 0.045 0.000 0.962 744 T CB 0.223 69.091 68.868 -0.000 0.000 1.018 744 T HN 0.582 nan 8.240 nan 0.000 0.521 745 D N 0.713 121.153 120.400 0.066 0.000 2.836 745 D HA 0.464 4.966 4.640 -0.230 0.000 0.215 745 D C -1.492 174.852 176.300 0.072 0.000 1.255 745 D CA -0.205 53.831 54.000 0.060 0.000 0.822 745 D CB 2.129 42.953 40.800 0.040 0.000 1.656 745 D HN 0.355 nan 8.370 nan 0.000 0.511 746 S N 0.495 116.238 115.700 0.072 0.000 2.570 746 S HA 0.823 5.155 4.470 -0.230 0.000 0.270 746 S C -0.683 173.954 174.600 0.062 0.000 1.149 746 S CA -0.646 57.594 58.200 0.067 0.000 0.837 746 S CB 1.332 64.571 63.200 0.066 0.000 1.124 746 S HN 0.754 nan 8.310 nan 0.000 0.465 747 V N -1.130 118.818 119.914 0.057 0.000 3.113 747 V HA 1.050 5.032 4.120 -0.230 0.000 0.316 747 V C -0.280 175.856 176.094 0.070 0.000 1.125 747 V CA -0.233 62.101 62.300 0.057 0.000 1.026 747 V CB 1.128 32.973 31.823 0.037 0.000 1.080 747 V HN 1.870 nan 8.190 nan 0.000 0.444 748 S N -0.126 115.619 115.700 0.076 0.000 2.578 748 S HA 0.400 4.732 4.470 -0.230 0.000 0.272 748 S C -1.372 173.249 174.600 0.036 0.000 1.145 748 S CA -0.223 58.017 58.200 0.066 0.000 0.835 748 S CB 1.810 65.140 63.200 0.216 0.000 1.104 748 S HN 1.211 nan 8.310 nan 0.000 0.458 749 D N 0.408 120.797 120.400 -0.018 0.000 2.631 749 D HA 0.241 4.743 4.640 -0.230 0.000 0.227 749 D C -0.049 176.239 176.300 -0.020 0.000 1.146 749 D CA -0.115 53.870 54.000 -0.025 0.000 1.009 749 D CB 0.585 41.351 40.800 -0.056 0.000 1.057 749 D HN 0.529 nan 8.370 nan 0.000 0.509 750 Q N 0.186 120.008 119.800 0.038 0.000 2.141 750 Q HA 0.434 4.635 4.340 -0.230 0.000 0.295 750 Q C 0.651 176.693 176.000 0.069 0.000 0.870 750 Q CA 0.259 56.102 55.803 0.066 0.000 1.096 750 Q CB 0.569 29.420 28.738 0.188 0.000 1.288 750 Q HN 0.410 nan 8.270 nan 0.000 0.418 751 A N 1.010 123.853 122.820 0.038 0.000 1.346 751 A HA -0.349 3.833 4.320 -0.230 0.000 0.342 751 A C 0.912 178.516 177.584 0.033 0.000 1.689 751 A CA 1.895 53.949 52.037 0.029 0.000 1.090 751 A CB -1.518 17.497 19.000 0.025 0.000 1.472 751 A HN 0.487 nan 8.150 nan 0.000 0.721 752 N N 0.861 119.585 118.700 0.041 0.000 2.535 752 N HA 0.419 5.021 4.740 -0.230 0.000 0.294 752 N C 0.517 176.048 175.510 0.034 0.000 1.408 752 N CA 1.097 54.164 53.050 0.030 0.000 0.927 752 N CB -0.011 38.486 38.487 0.017 0.000 1.276 752 N HN 0.891 nan 8.380 nan 0.000 0.505 753 G N -0.048 108.798 108.800 0.077 0.000 3.523 753 G HA2 0.016 3.838 3.960 -0.230 0.000 0.270 753 G HA3 0.016 3.838 3.960 -0.230 0.000 0.270 753 G C 0.435 175.380 174.900 0.075 0.000 1.134 753 G CA -0.419 44.750 45.100 0.114 0.000 0.825 753 G HN 0.210 nan 8.290 nan 0.000 0.534 754 R N 0.629 121.152 120.500 0.038 0.000 2.370 754 R HA 0.386 4.588 4.340 -0.230 0.000 0.309 754 R C 1.310 177.614 176.300 0.007 0.000 1.059 754 R CA 0.907 57.028 56.100 0.035 0.000 0.981 754 R CB -0.023 30.293 30.300 0.027 0.000 0.972 754 R HN 0.296 nan 8.270 nan 0.000 0.437 755 G N 3.699 112.516 108.800 0.028 0.000 2.162 755 G HA2 -0.312 3.510 3.960 -0.230 0.000 0.260 755 G HA3 -0.312 3.510 3.960 -0.230 0.000 0.260 755 G C 0.696 175.618 174.900 0.037 0.000 0.976 755 G CA 0.550 45.680 45.100 0.051 0.000 0.655 755 G HN 0.690 nan 8.290 nan 0.000 0.533 756 K N -1.205 119.090 120.400 -0.175 0.000 2.243 756 K HA 0.293 4.475 4.320 -0.230 0.000 0.201 756 K C 0.500 176.799 176.600 -0.502 0.000 1.051 756 K CA 0.640 56.645 56.287 -0.471 0.000 0.970 756 K CB 0.138 32.028 32.500 -1.017 0.000 0.755 756 K HN 0.442 nan 8.250 nan 0.000 0.465 757 F N -0.233 119.742 119.950 0.042 0.000 2.598 757 F HA 0.580 4.968 4.527 -0.230 0.000 0.327 757 F C -0.468 175.010 175.800 -0.536 0.000 1.057 757 F CA -1.463 56.414 58.000 -0.206 0.000 0.957 757 F CB 1.743 40.700 39.000 -0.071 0.000 1.278 757 F HN -0.301 nan 8.300 nan 0.000 0.484 758 A N 1.096 123.596 122.820 -0.533 0.000 2.497 758 A HA 0.638 4.820 4.320 -0.230 0.000 0.280 758 A C -0.914 176.247 177.584 -0.706 0.000 1.065 758 A CA -0.607 51.137 52.037 -0.488 0.000 0.781 758 A CB 0.697 19.448 19.000 -0.415 0.000 1.289 758 A HN 0.775 nan 8.150 nan 0.000 0.415 759 T N -0.559 113.756 114.554 -0.398 0.000 2.841 759 T HA 0.859 5.070 4.350 -0.230 0.000 0.283 759 T C -0.422 174.355 174.700 0.128 0.000 1.000 759 T CA -0.171 61.715 62.100 -0.358 0.000 0.977 759 T CB 1.820 70.368 68.868 -0.533 0.000 0.979 759 T HN 1.989 nan 8.240 nan 0.000 0.446 760 A N 1.569 124.614 122.820 0.376 0.000 2.414 760 A HA 0.831 5.013 4.320 -0.230 0.000 0.286 760 A C 0.985 178.759 177.584 0.317 0.000 1.073 760 A CA -0.413 51.875 52.037 0.418 0.000 0.727 760 A CB 0.962 20.334 19.000 0.620 0.000 1.215 760 A HN 1.314 nan 8.150 nan 0.000 0.430 761 A N 1.635 124.526 122.820 0.119 0.000 1.841 761 A HA 0.235 4.417 4.320 -0.230 0.000 0.214 761 A C 0.778 178.429 177.584 0.112 0.000 1.195 761 A CA 1.308 53.426 52.037 0.134 0.000 0.611 761 A CB -0.034 18.971 19.000 0.008 0.000 0.835 761 A HN 0.658 nan 8.150 nan 0.000 0.443 762 E N -0.984 119.227 120.200 0.018 0.000 2.292 762 E HA 0.559 4.771 4.350 -0.230 0.000 0.272 762 E C -1.923 174.699 176.600 0.036 0.000 0.881 762 E CA -0.377 56.039 56.400 0.028 0.000 0.754 762 E CB 2.204 31.895 29.700 -0.016 0.000 1.201 762 E HN 0.009 nan 8.360 nan 0.000 0.425 763 V N 3.694 123.651 119.914 0.073 0.000 2.524 763 V HA 0.465 4.446 4.120 -0.230 0.000 0.297 763 V C -0.926 175.188 176.094 0.033 0.000 1.035 763 V CA -0.889 61.467 62.300 0.092 0.000 0.867 763 V CB 1.597 33.495 31.823 0.124 0.000 1.004 763 V HN 0.777 nan 8.190 nan 0.000 0.426 764 N N 2.703 121.417 118.700 0.023 0.000 2.710 764 N HA 0.667 5.269 4.740 -0.230 0.000 0.257 764 N C -0.919 174.565 175.510 -0.042 0.000 1.327 764 N CA -0.819 52.206 53.050 -0.041 0.000 0.861 764 N CB 2.081 40.505 38.487 -0.104 0.000 1.532 764 N HN 0.509 nan 8.380 nan 0.000 0.499 765 V N -2.794 117.050 119.914 -0.117 0.000 2.966 765 V HA 0.721 4.703 4.120 -0.230 0.000 0.317 765 V C -0.522 175.397 176.094 -0.292 0.000 1.070 765 V CA -0.231 62.031 62.300 -0.063 0.000 1.008 765 V CB 1.458 33.286 31.823 0.008 0.000 1.070 765 V HN 0.827 nan 8.190 nan 0.000 0.457 766 H N 0.599 119.640 119.070 -0.048 0.000 2.895 766 H HA 0.825 5.242 4.556 -0.230 0.000 0.373 766 H C -0.024 175.268 175.328 -0.059 0.000 1.174 766 H CA -0.010 55.998 56.048 -0.066 0.000 1.144 766 H CB 2.370 32.100 29.762 -0.053 0.000 1.793 766 H HN 1.228 nan 8.280 nan 0.000 0.551 767 G N 0.000 108.837 108.800 0.062 0.000 5.446 767 G HA2 0.000 3.822 3.960 -0.230 0.000 0.244 767 G HA3 0.000 3.822 3.960 -0.230 0.000 0.244 767 G CA 0.000 45.129 45.100 0.048 0.000 0.502 767 G HN 0.000 nan 8.290 nan 0.000 0.925