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 2v5c_1_B 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 PYHREKWREP YPESEMQRMQ 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 LTLI 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 0.000 176.076 176.094 -0.030 0.000 1.182 41 V CA 0.000 62.283 62.300 -0.028 0.000 1.235 41 V CB 0.000 31.791 31.823 -0.053 0.000 1.184 42 L N 5.255 126.460 121.223 -0.030 0.000 2.439 42 L HA 0.579 4.918 4.340 -0.000 0.000 0.261 42 L C 0.485 177.334 176.870 -0.036 0.000 1.153 42 L CA -0.094 54.730 54.840 -0.027 0.000 0.808 42 L CB 1.488 43.533 42.059 -0.023 0.000 1.126 42 L HN 0.651 nan 8.230 nan 0.000 0.460 43 V N 3.791 123.688 119.914 -0.029 0.000 2.427 43 V HA 0.208 4.328 4.120 -0.000 0.000 0.268 43 V C -1.738 174.334 176.094 -0.035 0.000 1.046 43 V CA -1.252 61.028 62.300 -0.034 0.000 0.970 43 V CB 0.382 32.192 31.823 -0.022 0.000 1.001 43 V HN 0.737 nan 8.190 nan 0.000 0.476 44 P HA 0.173 nan 4.420 nan 0.000 0.273 44 P C -0.101 177.178 177.300 -0.035 0.000 1.250 44 P CA -0.693 62.381 63.100 -0.044 0.000 0.793 44 P CB 0.360 32.024 31.700 -0.059 0.000 1.011 45 N N 0.343 119.028 118.700 -0.024 0.000 2.357 45 N HA 0.030 4.770 4.740 -0.000 0.000 0.257 45 N C -0.475 175.025 175.510 -0.017 0.000 1.250 45 N CA 0.651 53.696 53.050 -0.008 0.000 0.862 45 N CB -0.248 38.244 38.487 0.007 0.000 1.066 45 N HN 0.280 nan 8.380 nan 0.000 0.468 46 L N 1.966 123.180 121.223 -0.015 0.000 2.381 46 L HA 0.462 4.802 4.340 -0.000 0.000 0.268 46 L C -0.118 176.718 176.870 -0.057 0.000 0.997 46 L CA -0.847 53.962 54.840 -0.050 0.000 0.818 46 L CB 1.933 43.955 42.059 -0.062 0.000 1.310 46 L HN 0.440 nan 8.230 nan 0.000 0.416 47 N N 2.198 120.819 118.700 -0.132 0.000 2.397 47 N HA 0.500 5.240 4.740 -0.000 0.000 0.291 47 N C -2.834 172.447 175.510 -0.381 0.000 1.065 47 N CA -1.330 51.580 53.050 -0.234 0.000 0.884 47 N CB 2.825 41.107 38.487 -0.342 0.000 1.551 47 N HN 0.122 nan 8.380 nan 0.000 0.487 48 P HA 0.108 nan 4.420 nan 0.000 0.271 48 P C -0.613 176.557 177.300 -0.217 0.000 1.244 48 P CA -0.157 62.748 63.100 -0.325 0.000 0.793 48 P CB 0.324 31.760 31.700 -0.440 0.000 0.984 49 T N 3.052 117.575 114.554 -0.052 0.000 2.793 49 T HA 0.143 4.493 4.350 -0.000 0.000 0.289 49 T C -2.142 172.577 174.700 0.031 0.000 0.956 49 T CA -0.522 61.579 62.100 0.000 0.000 1.177 49 T CB -0.760 68.137 68.868 0.048 0.000 0.897 49 T HN 0.293 nan 8.240 nan 0.000 0.533 50 P HA 0.142 nan 4.420 nan 0.000 0.271 50 P C 1.048 178.353 177.300 0.009 0.000 1.216 50 P CA -0.338 62.792 63.100 0.050 0.000 0.776 50 P CB 0.678 32.395 31.700 0.027 0.000 0.881 51 E N 1.452 121.615 120.200 -0.063 0.000 2.058 51 E HA -0.110 4.239 4.350 -0.000 0.000 0.194 51 E C 0.016 176.554 176.600 -0.104 0.000 0.997 51 E CA 1.533 57.816 56.400 -0.195 0.000 0.801 51 E CB -0.049 29.286 29.700 -0.609 0.000 0.746 51 E HN 0.510 nan 8.360 nan 0.000 0.450 52 N N 0.043 118.697 118.700 -0.077 0.000 2.410 52 N HA 0.329 5.069 4.740 -0.000 0.000 0.287 52 N C -0.973 174.530 175.510 -0.012 0.000 1.044 52 N CA -0.241 52.794 53.050 -0.025 0.000 0.881 52 N CB 2.385 40.873 38.487 0.002 0.000 1.405 52 N HN -0.027 nan 8.380 nan 0.000 0.490 53 L N 1.707 122.929 121.223 -0.000 0.000 2.470 53 L HA 0.421 4.761 4.340 -0.000 0.000 0.268 53 L C -1.078 175.799 176.870 0.013 0.000 0.964 53 L CA -0.558 54.288 54.840 0.010 0.000 0.839 53 L CB 1.691 43.755 42.059 0.009 0.000 1.276 53 L HN 0.542 nan 8.230 nan 0.000 0.403 54 E N 4.231 124.443 120.200 0.019 0.000 2.234 54 E HA 0.499 4.848 4.350 -0.000 0.000 0.266 54 E C -1.402 175.213 176.600 0.025 0.000 0.877 54 E CA -0.986 55.426 56.400 0.020 0.000 0.758 54 E CB 2.296 32.009 29.700 0.021 0.000 1.170 54 E HN 0.260 nan 8.360 nan 0.000 0.415 55 V N 3.776 123.702 119.914 0.021 0.000 2.508 55 V HA 0.015 4.135 4.120 -0.000 0.000 0.281 55 V C 0.433 176.545 176.094 0.030 0.000 1.041 55 V CA -0.202 62.112 62.300 0.024 0.000 1.016 55 V CB 1.208 33.041 31.823 0.016 0.000 0.984 55 V HN 0.780 nan 8.190 nan 0.000 0.478 56 V N 3.912 123.850 119.914 0.041 0.000 3.477 56 V HA 0.618 4.738 4.120 -0.000 0.000 0.297 56 V C 0.784 176.911 176.094 0.054 0.000 1.433 56 V CA 1.157 63.485 62.300 0.046 0.000 1.052 56 V CB 0.338 32.192 31.823 0.053 0.000 0.895 56 V HN 1.022 nan 8.190 nan 0.000 0.438 57 G N -1.180 107.655 108.800 0.057 0.000 2.570 57 G HA2 0.210 4.170 3.960 -0.000 0.000 0.310 57 G HA3 0.210 4.170 3.960 -0.000 0.000 0.310 57 G C -0.731 174.203 174.900 0.058 0.000 1.266 57 G CA 0.252 45.390 45.100 0.064 0.000 0.825 57 G HN -0.060 nan 8.290 nan 0.000 0.483 58 D N 0.198 120.639 120.400 0.068 0.000 2.350 58 D HA 0.331 4.971 4.640 -0.000 0.000 0.213 58 D C 1.398 177.732 176.300 0.057 0.000 1.031 58 D CA 1.473 55.505 54.000 0.054 0.000 0.861 58 D CB 0.720 41.551 40.800 0.053 0.000 0.926 58 D HN 1.217 nan 8.370 nan 0.000 0.520 59 G N 1.291 110.145 108.800 0.090 0.000 2.795 59 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.664 59 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.664 59 G C -0.563 174.435 174.900 0.163 0.000 1.381 59 G CA -0.396 44.734 45.100 0.050 0.000 0.853 59 G HN 0.257 nan 8.290 nan 0.000 0.545 60 F N -2.143 117.822 119.950 0.026 0.000 2.711 60 F HA 0.885 5.412 4.527 -0.000 0.000 0.313 60 F C -0.529 175.288 175.800 0.028 0.000 1.141 60 F CA -1.298 56.718 58.000 0.026 0.000 0.941 60 F CB 1.712 40.730 39.000 0.031 0.000 1.349 60 F HN 0.667 nan 8.300 nan 0.000 0.464 61 K N 1.948 122.512 120.400 0.273 0.000 2.183 61 K HA 0.622 4.942 4.320 -0.000 0.000 0.274 61 K C -1.012 175.763 176.600 0.292 0.000 1.009 61 K CA -0.548 55.835 56.287 0.161 0.000 0.888 61 K CB 1.001 33.560 32.500 0.098 0.000 1.078 61 K HN 0.736 nan 8.250 nan 0.000 0.459 62 I N 4.373 125.060 120.570 0.195 0.000 2.496 62 I HA -0.005 4.165 4.170 -0.000 0.000 0.285 62 I C 0.974 177.173 176.117 0.136 0.000 1.080 62 I CA -0.222 61.213 61.300 0.226 0.000 1.404 62 I CB 1.090 39.203 38.000 0.189 0.000 1.403 62 I HN 0.780 nan 8.210 nan 0.000 0.539 63 T N 1.456 116.085 114.554 0.124 0.000 2.701 63 T HA 0.006 4.356 4.350 -0.000 0.000 0.303 63 T C 1.340 176.071 174.700 0.052 0.000 1.030 63 T CA -0.195 61.948 62.100 0.073 0.000 1.010 63 T CB 0.757 69.659 68.868 0.056 0.000 1.007 63 T HN 0.730 nan 8.240 nan 0.000 0.532 64 S N -0.582 115.136 115.700 0.031 0.000 2.474 64 S HA 0.085 4.555 4.470 -0.000 0.000 0.235 64 S C 0.725 175.335 174.600 0.017 0.000 0.997 64 S CA -0.037 58.172 58.200 0.015 0.000 0.949 64 S CB -0.241 62.963 63.200 0.007 0.000 0.766 64 S HN 0.621 nan 8.310 nan 0.000 0.517 65 S N 0.797 116.513 115.700 0.026 0.000 2.541 65 S HA 0.744 5.213 4.470 -0.000 0.000 0.280 65 S C -0.803 173.820 174.600 0.038 0.000 1.112 65 S CA -0.942 57.274 58.200 0.026 0.000 0.925 65 S CB 1.585 64.794 63.200 0.016 0.000 1.067 65 S HN 0.501 nan 8.310 nan 0.000 0.479 66 I N 0.145 120.740 120.570 0.040 0.000 2.646 66 I HA 0.624 4.794 4.170 -0.000 0.000 0.299 66 I C -0.723 175.410 176.117 0.028 0.000 1.036 66 I CA -0.851 60.477 61.300 0.046 0.000 1.074 66 I CB 1.414 39.457 38.000 0.072 0.000 1.258 66 I HN 0.448 nan 8.210 nan 0.000 0.430 67 N N 4.784 123.497 118.700 0.021 0.000 2.401 67 N HA 0.416 5.156 4.740 -0.000 0.000 0.255 67 N C -1.054 174.459 175.510 0.004 0.000 1.110 67 N CA -0.449 52.606 53.050 0.009 0.000 0.949 67 N CB 1.006 39.495 38.487 0.003 0.000 1.110 67 N HN 0.507 nan 8.380 nan 0.000 0.490 68 L N 3.681 124.905 121.223 0.001 0.000 2.260 68 L HA 0.419 4.758 4.340 -0.000 0.000 0.289 68 L C -0.961 175.903 176.870 -0.010 0.000 1.057 68 L CA -0.642 54.194 54.840 -0.008 0.000 0.811 68 L CB 0.695 42.751 42.059 -0.005 0.000 1.184 68 L HN 0.309 nan 8.230 nan 0.000 0.429 69 V N 3.744 123.649 119.914 -0.015 0.000 2.577 69 V HA 0.709 4.829 4.120 -0.000 0.000 0.303 69 V C 0.266 176.349 176.094 -0.018 0.000 1.042 69 V CA -0.538 61.754 62.300 -0.013 0.000 0.872 69 V CB 1.807 33.624 31.823 -0.010 0.000 0.998 69 V HN 0.817 nan 8.190 nan 0.000 0.423 70 G N 1.710 110.502 108.800 -0.013 0.000 2.533 70 G HA2 0.690 4.650 3.960 -0.000 0.000 0.304 70 G HA3 0.690 4.650 3.960 -0.000 0.000 0.304 70 G C -0.148 174.746 174.900 -0.011 0.000 1.263 70 G CA 0.075 45.168 45.100 -0.011 0.000 0.964 70 G HN 0.858 nan 8.290 nan 0.000 0.479 71 E N -0.536 119.659 120.200 -0.009 0.000 4.435 71 E HA -0.132 4.218 4.350 -0.000 0.000 0.384 71 E C 0.071 176.671 176.600 -0.001 0.000 0.596 71 E CA 0.986 57.383 56.400 -0.006 0.000 1.535 71 E CB -0.896 28.800 29.700 -0.006 0.000 1.879 71 E HN 0.588 nan 8.360 nan 0.000 0.337 72 E N -1.109 119.091 120.200 -0.000 0.000 1.898 72 E HA -0.013 4.337 4.350 -0.000 0.000 0.203 72 E C 0.991 177.593 176.600 0.003 0.000 1.004 72 E CA 0.017 56.418 56.400 0.002 0.000 1.292 72 E CB -0.396 29.305 29.700 0.001 0.000 3.886 72 E HN 0.048 nan 8.360 nan 0.000 0.918 73 E N 1.624 121.826 120.200 0.002 0.000 2.150 73 E HA 0.068 4.418 4.350 -0.000 0.000 0.193 73 E C 1.217 177.820 176.600 0.005 0.000 0.985 73 E CA 1.136 57.538 56.400 0.004 0.000 0.814 73 E CB -0.069 29.633 29.700 0.003 0.000 0.752 73 E HN 0.324 nan 8.360 nan 0.000 0.466 74 A N 1.150 123.972 122.820 0.004 0.000 5.823 74 A HA -0.327 3.993 4.320 -0.000 0.000 0.273 74 A C 0.227 177.816 177.584 0.008 0.000 2.094 74 A CA 0.959 53.000 52.037 0.006 0.000 0.713 74 A CB -1.747 17.258 19.000 0.008 0.000 1.132 74 A HN 0.358 nan 8.150 nan 0.000 0.363 75 D N -0.421 119.988 120.400 0.013 0.000 2.472 75 D HA 0.327 4.967 4.640 -0.000 0.000 0.237 75 D C 1.065 177.380 176.300 0.025 0.000 1.141 75 D CA 0.999 55.009 54.000 0.017 0.000 0.875 75 D CB 0.558 41.371 40.800 0.021 0.000 1.192 75 D HN 0.588 nan 8.370 nan 0.000 0.450 76 E N 1.769 121.980 120.200 0.018 0.000 2.106 76 E HA -0.187 4.162 4.350 -0.000 0.000 0.192 76 E C 1.164 177.791 176.600 0.044 0.000 0.984 76 E CA 0.879 57.292 56.400 0.022 0.000 0.806 76 E CB 0.188 29.894 29.700 0.010 0.000 0.750 76 E HN 0.462 nan 8.360 nan 0.000 0.458 77 N N -0.014 118.720 118.700 0.056 0.000 2.250 77 N HA -0.067 4.673 4.740 -0.000 0.000 0.181 77 N C 1.581 177.247 175.510 0.261 0.000 1.017 77 N CA 1.031 54.144 53.050 0.106 0.000 0.866 77 N CB -0.216 38.276 38.487 0.008 0.000 0.985 77 N HN 0.163 nan 8.380 nan 0.000 0.429 78 A N 1.017 123.995 122.820 0.263 0.000 1.883 78 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 78 A C 2.525 180.139 177.584 0.050 0.000 1.186 78 A CA 1.339 53.489 52.037 0.187 0.000 0.624 78 A CB -0.899 18.162 19.000 0.102 0.000 0.822 78 A HN 0.083 nan 8.150 nan 0.000 0.444 79 V N 0.675 120.615 119.914 0.043 0.000 2.287 79 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 79 V C 2.213 178.328 176.094 0.034 0.000 1.053 79 V CA 2.507 64.819 62.300 0.020 0.000 1.027 79 V CB -1.130 30.702 31.823 0.016 0.000 0.646 79 V HN 0.691 nan 8.190 nan 0.000 0.447 80 N N -0.003 118.730 118.700 0.055 0.000 2.223 80 N HA -0.127 4.612 4.740 -0.000 0.000 0.185 80 N C 1.846 177.398 175.510 0.070 0.000 1.016 80 N CA 1.207 54.292 53.050 0.059 0.000 0.863 80 N CB -0.324 38.201 38.487 0.063 0.000 0.983 80 N HN 0.503 nan 8.380 nan 0.000 0.429 81 A N 0.781 123.647 122.820 0.076 0.000 1.898 81 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 81 A C 2.094 179.703 177.584 0.042 0.000 1.181 81 A CA 0.923 52.981 52.037 0.035 0.000 0.620 81 A CB -0.600 18.342 19.000 -0.095 0.000 0.819 81 A HN 0.262 nan 8.150 nan 0.000 0.442 82 L N -0.071 121.171 121.223 0.032 0.000 2.027 82 L HA -0.094 4.246 4.340 -0.000 0.000 0.206 82 L C 2.416 179.374 176.870 0.147 0.000 1.074 82 L CA 1.899 56.793 54.840 0.090 0.000 0.745 82 L CB -0.576 41.482 42.059 -0.002 0.000 0.898 82 L HN 0.332 nan 8.230 nan 0.000 0.433 83 R N -0.496 120.055 120.500 0.085 0.000 2.127 83 R HA -0.196 4.144 4.340 -0.000 0.000 0.238 83 R C 2.215 178.561 176.300 0.076 0.000 1.134 83 R CA 1.609 57.751 56.100 0.070 0.000 0.975 83 R CB -0.336 29.990 30.300 0.043 0.000 0.865 83 R HN 0.517 nan 8.270 nan 0.000 0.447 84 E N -0.106 120.149 120.200 0.091 0.000 2.072 84 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 84 E C 1.521 178.190 176.600 0.115 0.000 0.985 84 E CA 0.978 57.429 56.400 0.085 0.000 0.801 84 E CB -0.051 29.700 29.700 0.085 0.000 0.750 84 E HN 0.199 nan 8.360 nan 0.000 0.452 85 F N 0.766 120.726 119.950 0.016 0.000 2.163 85 F HA -0.083 4.443 4.527 -0.000 0.000 0.297 85 F C 1.659 177.477 175.800 0.031 0.000 1.094 85 F CA 1.078 59.089 58.000 0.018 0.000 1.290 85 F CB -0.068 38.958 39.000 0.043 0.000 1.017 85 F HN -0.040 nan 8.300 nan 0.000 0.483 86 L N -0.565 120.688 121.223 0.050 0.000 2.017 86 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 86 L C 2.366 179.175 176.870 -0.102 0.000 1.073 86 L CA 1.870 56.684 54.840 -0.043 0.000 0.745 86 L CB -1.447 40.654 42.059 0.070 0.000 0.894 86 L HN 0.079 nan 8.230 nan 0.000 0.432 87 T N 0.027 114.551 114.554 -0.050 0.000 2.699 87 T HA -0.223 4.126 4.350 -0.000 0.000 0.268 87 T C 1.936 176.581 174.700 -0.091 0.000 1.036 87 T CA 1.540 63.609 62.100 -0.052 0.000 1.147 87 T CB -0.252 68.604 68.868 -0.019 0.000 0.862 87 T HN 0.476 nan 8.240 nan 0.000 0.446 88 A N 1.636 124.378 122.820 -0.130 0.000 2.014 88 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 88 A C 1.941 179.395 177.584 -0.217 0.000 1.163 88 A CA 0.874 52.821 52.037 -0.149 0.000 0.652 88 A CB -0.229 18.694 19.000 -0.129 0.000 0.808 88 A HN 0.485 nan 8.150 nan 0.000 0.449 89 N N 0.530 119.032 118.700 -0.331 0.000 2.235 89 N HA 0.006 4.746 4.740 -0.000 0.000 0.209 89 N C -0.720 174.673 175.510 -0.195 0.000 1.122 89 N CA -0.014 52.837 53.050 -0.331 0.000 0.845 89 N CB 0.096 38.234 38.487 -0.581 0.000 1.004 89 N HN 0.354 nan 8.380 nan 0.000 0.499 90 N N 0.985 119.601 118.700 -0.140 0.000 2.740 90 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 90 N C -0.849 174.622 175.510 -0.064 0.000 1.062 90 N CA 0.786 53.785 53.050 -0.084 0.000 0.704 90 N CB -1.400 37.046 38.487 -0.068 0.000 0.968 90 N HN 0.414 nan 8.380 nan 0.000 0.547 91 I N 0.384 120.914 120.570 -0.065 0.000 2.355 91 I HA 0.218 4.388 4.170 -0.000 0.000 0.288 91 I C 0.598 176.711 176.117 -0.007 0.000 0.999 91 I CA -0.638 60.647 61.300 -0.025 0.000 1.163 91 I CB 1.661 39.657 38.000 -0.007 0.000 1.316 91 I HN -0.060 nan 8.210 nan 0.000 0.454 92 E N 5.327 125.527 120.200 0.001 0.000 2.319 92 E HA 0.534 4.883 4.350 -0.000 0.000 0.268 92 E C -1.010 175.598 176.600 0.014 0.000 1.050 92 E CA -0.464 55.938 56.400 0.004 0.000 0.878 92 E CB 1.192 30.892 29.700 0.000 0.000 1.066 92 E HN 0.367 nan 8.360 nan 0.000 0.406 93 I N 3.449 124.026 120.570 0.012 0.000 2.331 93 I HA 0.187 4.357 4.170 -0.000 0.000 0.292 93 I C -0.228 175.895 176.117 0.010 0.000 0.998 93 I CA -0.509 60.800 61.300 0.014 0.000 1.267 93 I CB 1.031 39.040 38.000 0.014 0.000 1.386 93 I HN 0.316 nan 8.210 nan 0.000 0.476 94 N N 4.538 123.245 118.700 0.010 0.000 2.427 94 N HA -0.004 4.736 4.740 -0.000 0.000 0.269 94 N C 1.258 176.770 175.510 0.004 0.000 1.235 94 N CA 0.120 53.174 53.050 0.007 0.000 0.934 94 N CB 1.053 39.544 38.487 0.007 0.000 1.121 94 N HN 0.753 nan 8.380 nan 0.000 0.480 95 S N 2.094 117.796 115.700 0.003 0.000 2.370 95 S HA -0.189 4.281 4.470 -0.000 0.000 0.226 95 S C 0.588 175.189 174.600 0.001 0.000 1.033 95 S CA 0.832 59.034 58.200 0.002 0.000 1.011 95 S CB -0.256 62.944 63.200 0.001 0.000 0.852 95 S HN 0.758 nan 8.310 nan 0.000 0.457 96 E N 0.996 121.196 120.200 0.001 0.000 2.221 96 E HA 0.429 4.779 4.350 -0.000 0.000 0.268 96 E C -0.484 176.116 176.600 0.000 0.000 0.933 96 E CA -1.122 55.278 56.400 0.000 0.000 0.809 96 E CB 0.621 30.321 29.700 -0.000 0.000 1.190 96 E HN 0.160 nan 8.360 nan 0.000 0.406 97 N N 1.118 119.818 118.700 -0.001 0.000 2.344 97 N HA -0.071 4.668 4.740 -0.000 0.000 0.236 97 N C -1.029 174.481 175.510 -0.001 0.000 1.279 97 N CA 0.710 53.759 53.050 -0.001 0.000 0.882 97 N CB 0.571 39.057 38.487 -0.003 0.000 1.110 97 N HN 0.642 nan 8.380 nan 0.000 0.436 98 D N 1.386 121.785 120.400 -0.002 0.000 2.452 98 D HA 0.271 4.911 4.640 -0.000 0.000 0.226 98 D C -2.338 173.958 176.300 -0.006 0.000 1.366 98 D CA -1.366 52.633 54.000 -0.003 0.000 0.986 98 D CB 1.493 42.294 40.800 0.000 0.000 1.420 98 D HN 0.217 nan 8.370 nan 0.000 0.583 99 P HA 0.049 nan 4.420 nan 0.000 0.234 99 P C 0.801 178.090 177.300 -0.018 0.000 1.167 99 P CA 0.418 63.509 63.100 -0.015 0.000 0.763 99 P CB 0.406 32.098 31.700 -0.014 0.000 0.835 100 N N -1.160 117.533 118.700 -0.012 0.000 2.333 100 N HA 0.012 4.752 4.740 -0.000 0.000 0.178 100 N C 0.736 176.239 175.510 -0.010 0.000 1.018 100 N CA 0.614 53.657 53.050 -0.012 0.000 0.882 100 N CB -0.377 38.107 38.487 -0.006 0.000 0.984 100 N HN 0.077 nan 8.380 nan 0.000 0.434 101 S N 0.453 116.151 115.700 -0.003 0.000 2.600 101 S HA 0.177 4.647 4.470 -0.000 0.000 0.265 101 S C 0.368 174.970 174.600 0.003 0.000 1.325 101 S CA -0.260 57.945 58.200 0.008 0.000 1.002 101 S CB 0.876 64.085 63.200 0.014 0.000 0.921 101 S HN 0.132 nan 8.310 nan 0.000 0.554 102 T N 2.966 117.540 114.554 0.032 0.000 2.901 102 T HA 0.276 4.625 4.350 -0.000 0.000 0.301 102 T C 0.067 174.793 174.700 0.043 0.000 1.012 102 T CA -0.073 62.056 62.100 0.047 0.000 1.135 102 T CB 0.345 69.310 68.868 0.161 0.000 0.936 102 T HN 0.522 nan 8.240 nan 0.000 0.539 103 T N 4.667 119.234 114.554 0.022 0.000 2.794 103 T HA 0.460 4.809 4.350 -0.000 0.000 0.280 103 T C -0.727 173.989 174.700 0.025 0.000 0.987 103 T CA -0.773 61.336 62.100 0.015 0.000 0.993 103 T CB 1.005 69.869 68.868 -0.007 0.000 0.939 103 T HN 0.255 nan 8.240 nan 0.000 0.449 104 L N 4.842 126.066 121.223 0.001 0.000 2.316 104 L HA 0.574 4.914 4.340 -0.000 0.000 0.280 104 L C -1.284 175.555 176.870 -0.052 0.000 1.006 104 L CA -0.869 53.944 54.840 -0.045 0.000 0.836 104 L CB 0.534 42.529 42.059 -0.107 0.000 1.221 104 L HN 0.603 nan 8.230 nan 0.000 0.418 105 I N 6.275 126.818 120.570 -0.045 0.000 2.336 105 I HA 0.488 4.658 4.170 -0.000 0.000 0.292 105 I C -0.018 176.070 176.117 -0.048 0.000 0.991 105 I CA -0.156 61.124 61.300 -0.034 0.000 1.227 105 I CB 1.679 39.672 38.000 -0.013 0.000 1.366 105 I HN 0.454 nan 8.210 nan 0.000 0.466 106 I N 4.666 125.209 120.570 -0.044 0.000 2.619 106 I HA 0.891 5.061 4.170 -0.000 0.000 0.292 106 I C -0.188 175.918 176.117 -0.019 0.000 1.100 106 I CA 0.120 61.393 61.300 -0.046 0.000 1.043 106 I CB 1.742 39.694 38.000 -0.079 0.000 1.239 106 I HN 0.761 nan 8.210 nan 0.000 0.420 107 G N 6.163 114.960 108.800 -0.004 0.000 2.342 107 G HA2 0.320 4.280 3.960 -0.000 0.000 0.297 107 G HA3 0.320 4.280 3.960 -0.000 0.000 0.297 107 G C -2.006 172.909 174.900 0.025 0.000 1.313 107 G CA -0.618 44.487 45.100 0.009 0.000 0.830 107 G HN 0.546 nan 8.290 nan 0.000 0.506 108 E N -0.571 119.645 120.200 0.027 0.000 2.281 108 E HA 0.531 4.880 4.350 -0.000 0.000 0.257 108 E C 0.981 177.602 176.600 0.035 0.000 0.971 108 E CA -0.763 55.660 56.400 0.039 0.000 0.839 108 E CB 1.444 31.167 29.700 0.038 0.000 1.238 108 E HN 0.245 nan 8.360 nan 0.000 0.412 109 V N 0.982 120.920 119.914 0.040 0.000 2.469 109 V HA -0.235 3.885 4.120 -0.000 0.000 0.251 109 V C 1.587 177.695 176.094 0.024 0.000 1.064 109 V CA 2.395 64.715 62.300 0.033 0.000 1.066 109 V CB -0.860 30.984 31.823 0.034 0.000 0.667 109 V HN 0.759 nan 8.190 nan 0.000 0.461 110 D N -0.765 119.648 120.400 0.022 0.000 2.344 110 D HA -0.016 4.624 4.640 -0.000 0.000 0.242 110 D C -0.229 176.080 176.300 0.015 0.000 1.159 110 D CA 0.001 54.011 54.000 0.017 0.000 0.859 110 D CB -0.119 40.691 40.800 0.016 0.000 0.925 110 D HN 0.338 nan 8.370 nan 0.000 0.510 111 D N 0.557 120.966 120.400 0.016 0.000 2.252 111 D HA 0.213 4.853 4.640 -0.000 0.000 0.245 111 D C -0.944 175.364 176.300 0.012 0.000 1.009 111 D CA -0.469 53.539 54.000 0.013 0.000 0.870 111 D CB 1.774 42.582 40.800 0.013 0.000 1.251 111 D HN -0.075 nan 8.370 nan 0.000 0.460 112 D N 1.168 121.574 120.400 0.010 0.000 2.479 112 D HA 0.330 4.970 4.640 -0.000 0.000 0.218 112 D C -0.654 175.650 176.300 0.007 0.000 1.131 112 D CA -0.208 53.797 54.000 0.008 0.000 0.916 112 D CB -0.028 40.776 40.800 0.007 0.000 1.022 112 D HN 0.185 nan 8.370 nan 0.000 0.515 113 I N 5.497 126.071 120.570 0.008 0.000 2.464 113 I HA 0.237 4.407 4.170 -0.000 0.000 0.277 113 I C -1.424 174.697 176.117 0.006 0.000 1.040 113 I CA -1.751 59.552 61.300 0.006 0.000 1.153 113 I CB 2.044 40.047 38.000 0.006 0.000 1.274 113 I HN 0.186 nan 8.210 nan 0.000 0.469 114 P HA -0.190 nan 4.420 nan 0.000 0.216 114 P C 1.006 178.308 177.300 0.004 0.000 1.150 114 P CA 1.522 64.625 63.100 0.005 0.000 0.843 114 P CB 0.414 32.116 31.700 0.003 0.000 0.787 115 E N -0.001 120.200 120.200 0.003 0.000 2.085 115 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 115 E C 2.251 178.853 176.600 0.004 0.000 0.994 115 E CA 0.710 57.111 56.400 0.001 0.000 0.801 115 E CB -1.066 28.633 29.700 -0.001 0.000 0.743 115 E HN 0.183 nan 8.360 nan 0.000 0.453 116 L N 1.015 122.241 121.223 0.006 0.000 2.012 116 L HA -0.240 4.099 4.340 -0.000 0.000 0.210 116 L C 1.514 178.393 176.870 0.016 0.000 1.073 116 L CA 1.511 56.358 54.840 0.011 0.000 0.748 116 L CB -0.286 41.781 42.059 0.012 0.000 0.891 116 L HN 0.199 nan 8.230 nan 0.000 0.431 117 D N -0.516 119.893 120.400 0.014 0.000 2.123 117 D HA -0.270 4.370 4.640 -0.000 0.000 0.196 117 D C 1.914 178.223 176.300 0.015 0.000 0.992 117 D CA 1.451 55.461 54.000 0.015 0.000 0.833 117 D CB -0.026 40.781 40.800 0.012 0.000 0.954 117 D HN 0.495 nan 8.370 nan 0.000 0.455 118 E N 0.514 120.721 120.200 0.011 0.000 2.046 118 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 118 E C 2.085 178.693 176.600 0.012 0.000 0.982 118 E CA 0.753 57.158 56.400 0.009 0.000 0.800 118 E CB 0.055 29.758 29.700 0.004 0.000 0.756 118 E HN 0.130 nan 8.360 nan 0.000 0.449 119 A N 1.162 123.990 122.820 0.013 0.000 1.933 119 A HA -0.156 4.163 4.320 -0.000 0.000 0.218 119 A C 2.191 179.793 177.584 0.030 0.000 1.175 119 A CA 1.022 53.070 52.037 0.018 0.000 0.628 119 A CB -0.647 18.364 19.000 0.018 0.000 0.814 119 A HN 0.301 nan 8.150 nan 0.000 0.444 120 L N -1.226 120.015 121.223 0.031 0.000 2.083 120 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 120 L C 0.249 177.139 176.870 0.034 0.000 1.083 120 L CA 0.714 55.576 54.840 0.038 0.000 0.752 120 L CB -0.569 41.512 42.059 0.037 0.000 0.899 120 L HN 0.441 nan 8.230 nan 0.000 0.433 121 N N 0.515 119.231 118.700 0.026 0.000 2.671 121 N HA -0.208 4.532 4.740 -0.000 0.000 0.261 121 N C 0.848 176.372 175.510 0.022 0.000 1.053 121 N CA 0.931 53.994 53.050 0.022 0.000 0.732 121 N CB -1.063 37.437 38.487 0.022 0.000 0.887 121 N HN 0.664 nan 8.380 nan 0.000 0.546 122 G N -1.852 106.960 108.800 0.021 0.000 2.317 122 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.227 122 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.227 122 G C 0.250 175.163 174.900 0.022 0.000 1.042 122 G CA 0.425 45.536 45.100 0.019 0.000 0.623 122 G HN 0.523 nan 8.290 nan 0.000 0.509 123 T N 1.734 116.304 114.554 0.028 0.000 2.814 123 T HA 0.559 4.908 4.350 -0.000 0.000 0.297 123 T C 0.040 174.761 174.700 0.035 0.000 0.956 123 T CA 1.197 63.316 62.100 0.032 0.000 1.123 123 T CB 1.691 70.583 68.868 0.039 0.000 0.902 123 T HN 0.625 nan 8.240 nan 0.000 0.528 124 T N 0.648 115.221 114.554 0.033 0.000 2.868 124 T HA 0.573 4.923 4.350 -0.000 0.000 0.306 124 T C 0.477 175.200 174.700 0.038 0.000 1.224 124 T CA -0.271 61.851 62.100 0.036 0.000 1.012 124 T CB 1.167 70.052 68.868 0.027 0.000 1.221 124 T HN 0.477 nan 8.240 nan 0.000 0.499 125 A N 1.887 124.738 122.820 0.051 0.000 2.275 125 A HA 0.243 4.563 4.320 -0.000 0.000 0.212 125 A C 1.818 179.422 177.584 0.034 0.000 1.201 125 A CA 0.323 52.394 52.037 0.057 0.000 0.843 125 A CB -0.419 18.642 19.000 0.101 0.000 0.873 125 A HN 0.846 nan 8.150 nan 0.000 0.492 126 E N 1.383 121.596 120.200 0.022 0.000 2.065 126 E HA -0.202 4.148 4.350 -0.000 0.000 0.201 126 E C 0.327 176.922 176.600 -0.008 0.000 1.016 126 E CA 1.310 57.716 56.400 0.009 0.000 0.818 126 E CB -0.105 29.599 29.700 0.007 0.000 0.749 126 E HN 0.601 nan 8.360 nan 0.000 0.453 127 N N 0.202 118.887 118.700 -0.024 0.000 2.279 127 N HA 0.137 4.877 4.740 -0.000 0.000 0.226 127 N C 0.002 175.453 175.510 -0.098 0.000 1.126 127 N CA 0.093 53.112 53.050 -0.051 0.000 0.846 127 N CB 0.375 38.833 38.487 -0.048 0.000 1.050 127 N HN 0.089 nan 8.380 nan 0.000 0.502 128 L N 0.737 121.908 121.223 -0.087 0.000 2.399 128 L HA 0.318 4.658 4.340 -0.000 0.000 0.265 128 L C 1.072 177.864 176.870 -0.131 0.000 1.089 128 L CA -0.953 53.795 54.840 -0.153 0.000 0.802 128 L CB 0.930 42.959 42.059 -0.049 0.000 1.180 128 L HN 0.095 nan 8.230 nan 0.000 0.454 129 K N 0.575 120.854 120.400 -0.202 0.000 2.136 129 K HA 0.204 4.523 4.320 -0.000 0.000 0.237 129 K C -0.291 176.301 176.600 -0.015 0.000 1.048 129 K CA -0.658 55.561 56.287 -0.113 0.000 0.880 129 K CB 0.437 32.848 32.500 -0.149 0.000 1.105 129 K HN 0.397 nan 8.250 nan 0.000 0.507 130 E N 0.710 120.916 120.200 0.010 0.000 2.467 130 E HA -0.131 4.219 4.350 -0.000 0.000 0.264 130 E C -0.422 176.247 176.600 0.114 0.000 1.020 130 E CA 0.713 57.148 56.400 0.058 0.000 0.945 130 E CB 0.206 29.939 29.700 0.054 0.000 0.942 130 E HN 0.709 nan 8.360 nan 0.000 0.449 131 E N -1.006 119.299 120.200 0.175 0.000 3.916 131 E HA -0.205 4.145 4.350 -0.000 0.000 0.331 131 E C 0.491 177.377 176.600 0.477 0.000 0.729 131 E CA 0.465 57.064 56.400 0.332 0.000 1.222 131 E CB -1.527 28.440 29.700 0.445 0.000 1.633 131 E HN 0.674 nan 8.360 nan 0.000 0.437 132 G N 0.292 109.282 108.800 0.317 0.000 2.606 132 G HA2 0.405 4.365 3.960 -0.000 0.000 0.252 132 G HA3 0.405 4.365 3.960 -0.000 0.000 0.252 132 G C -0.309 174.839 174.900 0.414 0.000 1.206 132 G CA 0.429 45.730 45.100 0.334 0.000 0.861 132 G HN 0.280 nan 8.290 nan 0.000 0.561 133 Y N -2.647 117.805 120.300 0.254 0.000 2.677 133 Y HA 0.706 5.255 4.550 -0.000 0.000 0.334 133 Y C -0.511 175.486 175.900 0.162 0.000 1.196 133 Y CA -1.425 56.787 58.100 0.187 0.000 1.059 133 Y CB 0.848 39.424 38.460 0.193 0.000 1.315 133 Y HN 0.889 nan 8.280 nan 0.000 0.455 134 A N 2.454 125.406 122.820 0.219 0.000 2.350 134 A HA 0.823 5.142 4.320 -0.000 0.000 0.324 134 A C -2.003 175.747 177.584 0.278 0.000 1.118 134 A CA -0.881 51.238 52.037 0.137 0.000 0.783 134 A CB 1.610 20.665 19.000 0.091 0.000 1.236 134 A HN 1.044 nan 8.150 nan 0.000 0.457 135 L N 2.684 124.045 121.223 0.230 0.000 2.409 135 L HA 0.711 5.051 4.340 -0.000 0.000 0.272 135 L C -1.603 175.352 176.870 0.141 0.000 0.980 135 L CA -0.583 54.385 54.840 0.214 0.000 0.826 135 L CB 2.023 44.252 42.059 0.285 0.000 1.268 135 L HN 0.467 nan 8.230 nan 0.000 0.407 136 V N 3.198 123.184 119.914 0.120 0.000 2.487 136 V HA 0.475 4.594 4.120 -0.000 0.000 0.298 136 V C -0.207 175.970 176.094 0.138 0.000 1.028 136 V CA -0.463 61.903 62.300 0.109 0.000 0.860 136 V CB 1.670 33.544 31.823 0.086 0.000 0.991 136 V HN 0.741 nan 8.190 nan 0.000 0.427 137 S N 4.534 120.328 115.700 0.157 0.000 2.594 137 S HA 0.681 5.150 4.470 -0.000 0.000 0.322 137 S C -0.744 174.019 174.600 0.273 0.000 1.085 137 S CA -0.421 57.921 58.200 0.236 0.000 1.116 137 S CB 0.073 63.371 63.200 0.162 0.000 0.979 137 S HN 0.800 nan 8.310 nan 0.000 0.465 138 N N 2.668 121.550 118.700 0.303 0.000 2.666 138 N HA 0.249 4.989 4.740 -0.000 0.000 0.260 138 N C -1.884 173.631 175.510 0.007 0.000 1.077 138 N CA -0.183 52.980 53.050 0.188 0.000 1.026 138 N CB 1.318 39.867 38.487 0.102 0.000 1.653 138 N HN 0.547 nan 8.380 nan 0.000 0.533 139 D N 2.377 122.700 120.400 -0.128 0.000 2.718 139 D HA -0.065 4.574 4.640 -0.000 0.000 0.242 139 D C 0.813 176.793 176.300 -0.534 0.000 1.123 139 D CA 2.061 55.890 54.000 -0.285 0.000 0.690 139 D CB -1.110 39.614 40.800 -0.128 0.000 1.059 139 D HN 1.016 nan 8.370 nan 0.000 0.429 140 G N -0.158 107.857 108.800 -1.309 0.000 2.187 140 G HA2 -0.384 3.575 3.960 -0.000 0.000 0.261 140 G HA3 -0.384 3.575 3.960 -0.000 0.000 0.261 140 G C 0.205 174.829 174.900 -0.460 0.000 1.000 140 G CA 0.890 45.309 45.100 -1.135 0.000 0.718 140 G HN 0.512 nan 8.290 nan 0.000 0.519 141 K N -0.688 119.541 120.400 -0.286 0.000 2.443 141 K HA 0.681 5.001 4.320 -0.000 0.000 0.252 141 K C -0.606 176.099 176.600 0.174 0.000 0.933 141 K CA -0.829 55.455 56.287 -0.005 0.000 0.792 141 K CB 1.818 34.301 32.500 -0.029 0.000 1.185 141 K HN 0.124 nan 8.250 nan 0.000 0.425 142 I N 2.176 122.850 120.570 0.174 0.000 2.389 142 I HA 0.443 4.612 4.170 -0.000 0.000 0.288 142 I C -0.511 175.627 176.117 0.035 0.000 0.999 142 I CA -0.558 60.832 61.300 0.150 0.000 1.129 142 I CB 2.050 40.157 38.000 0.178 0.000 1.288 142 I HN 0.572 nan 8.210 nan 0.000 0.444 143 A N 7.542 130.390 122.820 0.047 0.000 2.271 143 A HA 0.850 5.170 4.320 -0.000 0.000 0.317 143 A C -0.487 177.115 177.584 0.029 0.000 1.245 143 A CA -0.384 51.666 52.037 0.022 0.000 0.857 143 A CB 0.300 19.322 19.000 0.037 0.000 1.175 143 A HN 0.688 nan 8.150 nan 0.000 0.512 144 I N 2.254 122.821 120.570 -0.005 0.000 2.354 144 I HA 0.283 4.453 4.170 -0.000 0.000 0.286 144 I C 0.093 176.237 176.117 0.045 0.000 1.007 144 I CA 0.009 61.321 61.300 0.020 0.000 1.167 144 I CB 1.511 39.470 38.000 -0.069 0.000 1.320 144 I HN 0.749 nan 8.210 nan 0.000 0.458 145 E N 5.358 125.618 120.200 0.101 0.000 2.129 145 E HA 0.516 4.866 4.350 -0.000 0.000 0.268 145 E C -0.275 176.419 176.600 0.157 0.000 0.900 145 E CA -0.645 55.815 56.400 0.099 0.000 0.755 145 E CB 1.593 31.342 29.700 0.082 0.000 1.117 145 E HN 0.736 nan 8.360 nan 0.000 0.410 146 G N 3.578 112.456 108.800 0.129 0.000 2.356 146 G HA2 0.024 3.984 3.960 -0.000 0.000 0.298 146 G HA3 0.024 3.984 3.960 -0.000 0.000 0.298 146 G C 0.795 175.772 174.900 0.128 0.000 1.145 146 G CA -0.413 44.786 45.100 0.165 0.000 0.850 146 G HN 0.475 nan 8.290 nan 0.000 0.487 147 K N 0.616 121.104 120.400 0.146 0.000 2.044 147 K HA -0.118 4.201 4.320 -0.000 0.000 0.210 147 K C 0.708 177.355 176.600 0.077 0.000 1.049 147 K CA 1.971 58.317 56.287 0.099 0.000 0.927 147 K CB -0.080 32.479 32.500 0.098 0.000 0.713 147 K HN 0.839 nan 8.250 nan 0.000 0.443 148 D N -4.605 115.847 120.400 0.086 0.000 2.732 148 D HA 0.294 4.934 4.640 -0.000 0.000 0.292 148 D C 1.071 177.394 176.300 0.038 0.000 1.135 148 D CA -0.207 53.825 54.000 0.053 0.000 1.071 148 D CB -0.167 40.660 40.800 0.045 0.000 1.457 148 D HN -0.095 nan 8.370 nan 0.000 0.547 149 G N -0.825 107.982 108.800 0.011 0.000 2.432 149 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 149 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 149 G C 0.786 175.658 174.900 -0.048 0.000 1.135 149 G CA 0.755 45.850 45.100 -0.007 0.000 0.767 149 G HN 0.467 nan 8.290 nan 0.000 0.550 150 D N 0.829 121.175 120.400 -0.091 0.000 2.117 150 D HA -0.075 4.565 4.640 -0.000 0.000 0.197 150 D C 2.624 178.732 176.300 -0.319 0.000 0.987 150 D CA 1.370 55.218 54.000 -0.254 0.000 0.829 150 D CB -0.640 40.054 40.800 -0.177 0.000 0.961 150 D HN 0.339 nan 8.370 nan 0.000 0.460 151 G N -0.177 108.606 108.800 -0.028 0.000 2.511 151 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.217 151 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.217 151 G C 1.634 176.600 174.900 0.109 0.000 1.133 151 G CA 0.905 46.113 45.100 0.180 0.000 0.792 151 G HN 0.210 nan 8.290 nan 0.000 0.539 152 T N 0.697 115.276 114.554 0.042 0.000 2.777 152 T HA -0.089 4.260 4.350 -0.000 0.000 0.266 152 T C 1.899 176.570 174.700 -0.048 0.000 1.040 152 T CA 0.828 62.932 62.100 0.007 0.000 1.141 152 T CB -0.283 68.597 68.868 0.021 0.000 0.868 152 T HN 0.263 nan 8.240 nan 0.000 0.444 153 F N 0.934 120.761 119.950 -0.204 0.000 2.171 153 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 153 F C 1.778 177.478 175.800 -0.167 0.000 1.090 153 F CA 1.132 59.005 58.000 -0.211 0.000 1.293 153 F CB -0.231 38.605 39.000 -0.273 0.000 1.013 153 F HN 0.130 nan 8.300 nan 0.000 0.486 154 Y N 0.172 120.432 120.300 -0.068 0.000 2.395 154 Y HA 0.157 4.706 4.550 -0.000 0.000 0.293 154 Y C 2.568 177.981 175.900 -0.811 0.000 1.123 154 Y CA 0.298 58.202 58.100 -0.327 0.000 1.227 154 Y CB -1.484 36.928 38.460 -0.081 0.000 1.012 154 Y HN 0.090 nan 8.280 nan 0.000 0.552 155 G N -0.069 108.259 108.800 -0.787 0.000 2.421 155 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 155 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 155 G C 1.879 176.545 174.900 -0.389 0.000 1.171 155 G CA 1.400 45.989 45.100 -0.851 0.000 0.775 155 G HN 0.239 nan 8.290 nan 0.000 0.543 156 V N 0.821 120.543 119.914 -0.320 0.000 2.231 156 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 156 V C 3.054 178.983 176.094 -0.274 0.000 1.054 156 V CA 2.206 64.355 62.300 -0.252 0.000 1.015 156 V CB -0.632 30.998 31.823 -0.321 0.000 0.638 156 V HN 0.307 nan 8.190 nan 0.000 0.444 157 Q N 0.003 119.559 119.800 -0.405 0.000 2.096 157 Q HA -0.223 4.117 4.340 -0.000 0.000 0.208 157 Q C 2.328 178.138 176.000 -0.317 0.000 0.993 157 Q CA 2.574 58.150 55.803 -0.378 0.000 0.862 157 Q CB -1.282 27.254 28.738 -0.338 0.000 0.915 157 Q HN 0.736 nan 8.270 nan 0.000 0.416 158 T N 1.392 115.777 114.554 -0.281 0.000 2.674 158 T HA -0.143 4.207 4.350 -0.000 0.000 0.265 158 T C 1.514 176.124 174.700 -0.150 0.000 1.039 158 T CA 1.243 63.232 62.100 -0.185 0.000 1.150 158 T CB -0.601 68.225 68.868 -0.069 0.000 0.864 158 T HN 0.284 nan 8.240 nan 0.000 0.427 159 F N 2.600 122.391 119.950 -0.265 0.000 2.045 159 F HA -0.261 4.265 4.527 -0.000 0.000 0.297 159 F C 2.136 177.692 175.800 -0.407 0.000 1.114 159 F CA 1.639 59.481 58.000 -0.264 0.000 1.207 159 F CB -0.407 38.446 39.000 -0.245 0.000 0.964 159 F HN 0.019 nan 8.300 nan 0.000 0.486 160 K N -0.268 119.681 120.400 -0.753 0.000 2.074 160 K HA -0.263 4.057 4.320 -0.000 0.000 0.209 160 K C 2.083 178.275 176.600 -0.679 0.000 1.048 160 K CA 2.165 57.714 56.287 -1.229 0.000 0.926 160 K CB -0.407 31.523 32.500 -0.951 0.000 0.713 160 K HN 0.536 nan 8.250 nan 0.000 0.444 161 Q N -0.037 119.516 119.800 -0.412 0.000 2.245 161 Q HA -0.066 4.273 4.340 -0.000 0.000 0.201 161 Q C 1.832 177.702 176.000 -0.216 0.000 0.955 161 Q CA 0.521 56.177 55.803 -0.245 0.000 0.870 161 Q CB 0.091 28.718 28.738 -0.186 0.000 0.945 161 Q HN 0.138 nan 8.270 nan 0.000 0.461 162 L N -0.006 121.054 121.223 -0.272 0.000 2.179 162 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 162 L C 0.517 177.249 176.870 -0.230 0.000 1.096 162 L CA 0.969 55.681 54.840 -0.213 0.000 0.779 162 L CB 0.196 42.145 42.059 -0.182 0.000 0.922 162 L HN -0.097 nan 8.230 nan 0.000 0.443 163 V N 1.855 121.581 119.914 -0.313 0.000 2.432 163 V HA 0.232 4.352 4.120 -0.000 0.000 0.271 163 V C 0.023 176.062 176.094 -0.093 0.000 1.046 163 V CA -0.609 61.558 62.300 -0.221 0.000 0.945 163 V CB 0.828 32.501 31.823 -0.251 0.000 0.992 163 V HN 0.079 nan 8.190 nan 0.000 0.471 164 K N 3.925 124.271 120.400 -0.088 0.000 2.483 164 K HA 0.420 4.739 4.320 -0.000 0.000 0.256 164 K C 0.123 176.689 176.600 -0.057 0.000 0.961 164 K CA -0.586 55.666 56.287 -0.059 0.000 0.873 164 K CB 1.405 33.870 32.500 -0.057 0.000 1.107 164 K HN 0.743 nan 8.250 nan 0.000 0.432 165 E N 1.320 121.489 120.200 -0.051 0.000 2.252 165 E HA -0.235 4.115 4.350 -0.000 0.000 0.218 165 E C -0.577 175.994 176.600 -0.048 0.000 1.253 165 E CA 0.752 57.121 56.400 -0.051 0.000 0.705 165 E CB -1.484 28.192 29.700 -0.040 0.000 1.172 165 E HN 0.779 nan 8.360 nan 0.000 0.369 166 S N -2.301 113.366 115.700 -0.054 0.000 3.011 166 S HA -0.264 4.206 4.470 -0.000 0.000 0.278 166 S C 0.254 174.826 174.600 -0.047 0.000 1.300 166 S CA 1.372 59.550 58.200 -0.036 0.000 1.248 166 S CB -0.812 62.380 63.200 -0.013 0.000 1.517 166 S HN 0.553 nan 8.310 nan 0.000 0.685 167 N N 0.358 119.013 118.700 -0.076 0.000 2.487 167 N HA 0.706 5.446 4.740 -0.000 0.000 0.292 167 N C -0.523 174.870 175.510 -0.194 0.000 1.108 167 N CA -0.188 52.791 53.050 -0.118 0.000 0.956 167 N CB 1.688 40.127 38.487 -0.080 0.000 1.176 167 N HN 0.446 nan 8.380 nan 0.000 0.484 168 I N 1.719 122.100 120.570 -0.315 0.000 2.649 168 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 168 I C -2.658 173.255 176.117 -0.341 0.000 1.222 168 I CA -2.130 58.962 61.300 -0.347 0.000 1.046 168 I CB 2.893 40.645 38.000 -0.412 0.000 1.272 168 I HN 0.310 nan 8.210 nan 0.000 0.425 169 P HA 0.120 nan 4.420 nan 0.000 0.272 169 P C -1.173 176.084 177.300 -0.072 0.000 1.240 169 P CA 0.013 63.051 63.100 -0.102 0.000 0.791 169 P CB 0.544 32.209 31.700 -0.057 0.000 0.978 170 E N 0.113 120.321 120.200 0.013 0.000 2.081 170 E HA 0.352 4.702 4.350 -0.000 0.000 0.281 170 E C -0.381 176.260 176.600 0.068 0.000 0.986 170 E CA -0.638 55.815 56.400 0.088 0.000 0.796 170 E CB 0.760 30.552 29.700 0.154 0.000 1.085 170 E HN 0.249 nan 8.360 nan 0.000 0.398 171 V N 0.843 120.801 119.914 0.074 0.000 2.925 171 V HA 0.559 4.679 4.120 -0.000 0.000 0.311 171 V C -0.724 175.413 176.094 0.072 0.000 1.104 171 V CA -1.163 61.173 62.300 0.060 0.000 0.954 171 V CB 2.254 34.104 31.823 0.045 0.000 1.022 171 V HN 0.404 nan 8.190 nan 0.000 0.427 172 N N 2.822 121.557 118.700 0.058 0.000 2.444 172 N HA 0.683 5.423 4.740 -0.000 0.000 0.262 172 N C -1.065 174.474 175.510 0.047 0.000 0.974 172 N CA -0.159 52.925 53.050 0.056 0.000 0.933 172 N CB 1.411 39.925 38.487 0.045 0.000 1.137 172 N HN 0.804 nan 8.380 nan 0.000 0.498 173 I N 1.180 121.783 120.570 0.055 0.000 2.433 173 I HA 0.321 4.491 4.170 -0.000 0.000 0.292 173 I C 0.142 176.248 176.117 -0.017 0.000 1.001 173 I CA -0.670 60.647 61.300 0.027 0.000 1.119 173 I CB 1.919 39.961 38.000 0.070 0.000 1.289 173 I HN 0.366 nan 8.210 nan 0.000 0.438 174 T N 0.592 115.116 114.554 -0.049 0.000 2.824 174 T HA 0.630 4.980 4.350 -0.000 0.000 0.282 174 T C -0.959 173.651 174.700 -0.149 0.000 0.993 174 T CA -0.750 61.300 62.100 -0.084 0.000 0.967 174 T CB 2.077 70.961 68.868 0.027 0.000 0.960 174 T HN 0.407 nan 8.240 nan 0.000 0.441 175 D N 1.448 121.657 120.400 -0.318 0.000 2.732 175 D HA 0.664 5.304 4.640 -0.000 0.000 0.229 175 D C -1.483 174.804 176.300 -0.022 0.000 1.152 175 D CA -0.314 53.506 54.000 -0.299 0.000 0.854 175 D CB 1.820 42.326 40.800 -0.489 0.000 1.590 175 D HN 0.754 nan 8.370 nan 0.000 0.468 176 Y N -1.069 119.205 120.300 -0.043 0.000 2.662 176 Y HA 0.567 5.117 4.550 -0.000 0.000 0.334 176 Y C -3.092 172.127 175.900 -1.135 0.000 1.185 176 Y CA -1.973 55.900 58.100 -0.378 0.000 1.074 176 Y CB 0.750 39.067 38.460 -0.238 0.000 1.330 176 Y HN 0.066 nan 8.280 nan 0.000 0.458 177 P HA 0.248 nan 4.420 nan 0.000 0.282 177 P C 0.093 177.068 177.300 -0.541 0.000 1.249 177 P CA -0.160 62.098 63.100 -1.402 0.000 0.806 177 P CB 2.140 33.243 31.700 -0.996 0.000 0.984 178 T N 0.404 114.696 114.554 -0.438 0.000 2.737 178 T HA 0.008 4.357 4.350 -0.000 0.000 0.265 178 T C 0.888 175.481 174.700 -0.177 0.000 1.038 178 T CA 1.140 63.099 62.100 -0.235 0.000 1.144 178 T CB -0.132 68.589 68.868 -0.246 0.000 0.866 178 T HN 0.207 nan 8.240 nan 0.000 0.434 179 V N 1.628 121.432 119.914 -0.183 0.000 2.435 179 V HA 0.259 4.379 4.120 -0.000 0.000 0.290 179 V C 0.942 176.998 176.094 -0.063 0.000 1.030 179 V CA -0.356 61.888 62.300 -0.093 0.000 0.881 179 V CB 1.870 33.644 31.823 -0.081 0.000 0.983 179 V HN 0.300 nan 8.190 nan 0.000 0.445 180 S N 2.942 118.634 115.700 -0.014 0.000 2.368 180 S HA 0.014 4.483 4.470 -0.000 0.000 0.225 180 S C 0.823 175.416 174.600 -0.012 0.000 1.030 180 S CA 1.215 59.418 58.200 0.004 0.000 0.999 180 S CB 0.038 63.267 63.200 0.048 0.000 0.844 180 S HN 0.956 nan 8.310 nan 0.000 0.459 181 A N 1.569 124.343 122.820 -0.078 0.000 2.304 181 A HA 0.757 5.077 4.320 -0.000 0.000 0.314 181 A C -0.374 177.067 177.584 -0.237 0.000 1.187 181 A CA -0.788 51.072 52.037 -0.294 0.000 0.810 181 A CB 0.855 19.351 19.000 -0.839 0.000 1.183 181 A HN 0.343 nan 8.150 nan 0.000 0.487 182 R N 1.911 122.332 120.500 -0.132 0.000 2.515 182 R HA 0.693 5.033 4.340 -0.000 0.000 0.291 182 R C 0.132 176.416 176.300 -0.026 0.000 1.046 182 R CA -0.150 55.965 56.100 0.025 0.000 0.914 182 R CB 2.316 32.680 30.300 0.107 0.000 1.191 182 R HN 1.133 nan 8.270 nan 0.000 0.435 183 G N 1.970 110.747 108.800 -0.038 0.000 2.450 183 G HA2 0.448 4.407 3.960 -0.000 0.000 0.273 183 G HA3 0.448 4.407 3.960 -0.000 0.000 0.273 183 G C -1.877 172.924 174.900 -0.166 0.000 1.221 183 G CA -0.479 44.536 45.100 -0.141 0.000 0.900 183 G HN 0.249 nan 8.290 nan 0.000 0.483 184 I N -0.035 120.423 120.570 -0.185 0.000 2.608 184 I HA 0.622 4.792 4.170 -0.000 0.000 0.295 184 I C -0.391 175.674 176.117 -0.087 0.000 1.049 184 I CA -1.030 60.200 61.300 -0.116 0.000 1.063 184 I CB 2.040 40.004 38.000 -0.061 0.000 1.248 184 I HN 0.409 nan 8.210 nan 0.000 0.424 185 V N 6.105 125.864 119.914 -0.258 0.000 2.384 185 V HA 0.400 4.520 4.120 -0.000 0.000 0.287 185 V C 0.253 176.104 176.094 -0.405 0.000 1.020 185 V CA -0.351 61.685 62.300 -0.439 0.000 0.850 185 V CB 1.440 32.701 31.823 -0.936 0.000 0.987 185 V HN 0.854 nan 8.190 nan 0.000 0.436 186 E N 4.643 124.621 120.200 -0.370 0.000 2.346 186 E HA 0.259 4.609 4.350 -0.000 0.000 0.317 186 E C 0.990 177.137 176.600 -0.755 0.000 1.404 186 E CA 0.369 56.438 56.400 -0.552 0.000 1.534 186 E CB -0.125 29.282 29.700 -0.489 0.000 1.309 186 E HN 0.938 nan 8.360 nan 0.000 0.499 187 G N 2.385 110.853 108.800 -0.552 0.000 3.502 187 G HA2 0.074 4.033 3.960 -0.000 0.000 0.267 187 G HA3 0.074 4.033 3.960 -0.000 0.000 0.267 187 G C 0.000 174.766 174.900 -0.224 0.000 1.090 187 G CA -0.463 44.456 45.100 -0.303 0.000 0.795 187 G HN 0.348 nan 8.290 nan 0.000 0.535 188 F N -0.543 119.280 119.950 -0.212 0.000 2.399 188 F HA 0.734 5.261 4.527 -0.000 0.000 0.342 188 F C -0.091 175.604 175.800 -0.174 0.000 1.106 188 F CA -2.516 55.419 58.000 -0.109 0.000 1.196 188 F CB 0.396 39.320 39.000 -0.125 0.000 1.163 188 F HN -0.033 nan 8.300 nan 0.000 0.547 189 Y N 1.337 121.750 120.300 0.187 0.000 2.295 189 Y HA 0.566 5.115 4.550 -0.000 0.000 0.331 189 Y C 1.048 177.069 175.900 0.202 0.000 1.311 189 Y CA 0.426 58.605 58.100 0.133 0.000 1.430 189 Y CB 0.869 39.403 38.460 0.122 0.000 1.339 189 Y HN 1.138 nan 8.280 nan 0.000 0.552 190 G N -0.200 108.788 108.800 0.314 0.000 2.549 190 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.404 190 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.404 190 G C -0.410 174.595 174.900 0.175 0.000 1.292 190 G CA -0.671 44.553 45.100 0.206 0.000 0.935 190 G HN 0.922 nan 8.290 nan 0.000 0.512 191 T N 2.480 117.108 114.554 0.123 0.000 2.829 191 T HA 0.494 4.844 4.350 -0.000 0.000 0.293 191 T C -1.201 173.626 174.700 0.213 0.000 0.970 191 T CA 0.159 62.334 62.100 0.125 0.000 1.168 191 T CB 0.555 69.474 68.868 0.085 0.000 0.911 191 T HN 0.605 nan 8.240 nan 0.000 0.535 192 P HA 0.111 nan 4.420 nan 0.000 0.270 192 P C 0.010 177.554 177.300 0.407 0.000 1.223 192 P CA -0.573 62.678 63.100 0.252 0.000 0.785 192 P CB 0.396 32.159 31.700 0.105 0.000 0.923 193 W N 1.358 122.841 121.300 0.305 0.000 2.209 193 W HA 0.056 4.716 4.660 -0.000 0.000 0.344 193 W C 1.300 177.915 176.519 0.160 0.000 1.285 193 W CA -0.004 57.469 57.345 0.213 0.000 1.267 193 W CB -0.915 28.702 29.460 0.262 0.000 1.167 193 W HN 0.345 nan 8.180 nan 0.000 0.574 194 T N -1.241 113.508 114.554 0.324 0.000 2.788 194 T HA 0.011 4.361 4.350 -0.000 0.000 0.287 194 T C 1.057 175.915 174.700 0.265 0.000 1.007 194 T CA 0.064 62.308 62.100 0.239 0.000 1.005 194 T CB 0.898 69.854 68.868 0.146 0.000 1.012 194 T HN 0.500 nan 8.240 nan 0.000 0.530 195 H N 0.534 119.694 119.070 0.151 0.000 2.352 195 H HA -0.073 4.482 4.556 -0.000 0.000 0.299 195 H C 2.197 177.574 175.328 0.083 0.000 1.097 195 H CA 2.146 58.277 56.048 0.138 0.000 1.311 195 H CB -0.102 29.723 29.762 0.105 0.000 1.377 195 H HN 0.507 nan 8.280 nan 0.000 0.504 196 Q N 0.258 120.058 119.800 0.001 0.000 2.119 196 Q HA -0.108 4.232 4.340 -0.000 0.000 0.201 196 Q C 1.781 177.695 176.000 -0.144 0.000 0.972 196 Q CA 1.245 56.988 55.803 -0.101 0.000 0.847 196 Q CB -0.168 28.547 28.738 -0.038 0.000 0.903 196 Q HN 0.612 nan 8.270 nan 0.000 0.433 197 D N 0.481 120.811 120.400 -0.117 0.000 2.104 197 D HA -0.140 4.500 4.640 -0.000 0.000 0.194 197 D C 2.028 178.140 176.300 -0.314 0.000 0.994 197 D CA 1.019 54.857 54.000 -0.270 0.000 0.830 197 D CB -0.084 40.530 40.800 -0.309 0.000 0.959 197 D HN 0.223 nan 8.370 nan 0.000 0.452 198 R N -0.084 120.360 120.500 -0.093 0.000 2.066 198 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 198 R C 2.215 178.409 176.300 -0.176 0.000 1.131 198 R CA 0.508 56.601 56.100 -0.011 0.000 0.955 198 R CB -0.405 30.050 30.300 0.258 0.000 0.851 198 R HN 0.158 nan 8.270 nan 0.000 0.432 199 L N 1.415 122.505 121.223 -0.221 0.000 2.012 199 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 199 L C 2.005 178.751 176.870 -0.207 0.000 1.073 199 L CA 1.904 56.613 54.840 -0.218 0.000 0.748 199 L CB -1.261 40.646 42.059 -0.254 0.000 0.891 199 L HN 0.195 nan 8.230 nan 0.000 0.431 200 D N -1.509 118.756 120.400 -0.227 0.000 2.123 200 D HA -0.208 4.432 4.640 -0.000 0.000 0.196 200 D C 2.171 178.295 176.300 -0.294 0.000 0.992 200 D CA 0.974 54.839 54.000 -0.225 0.000 0.833 200 D CB 0.253 40.910 40.800 -0.238 0.000 0.954 200 D HN 0.238 nan 8.370 nan 0.000 0.455 201 Q N -0.070 119.461 119.800 -0.448 0.000 2.046 201 Q HA -0.111 4.228 4.340 -0.000 0.000 0.200 201 Q C 2.617 177.992 176.000 -1.042 0.000 0.975 201 Q CA 0.818 56.192 55.803 -0.714 0.000 0.836 201 Q CB -0.272 28.024 28.738 -0.737 0.000 0.896 201 Q HN 0.498 nan 8.270 nan 0.000 0.428 202 I N 0.872 121.046 120.570 -0.661 0.000 2.151 202 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 202 I C 2.500 178.511 176.117 -0.176 0.000 1.080 202 I CA 1.408 62.494 61.300 -0.356 0.000 1.339 202 I CB -0.292 37.643 38.000 -0.109 0.000 1.039 202 I HN 0.122 nan 8.210 nan 0.000 0.409 203 K N 0.960 121.282 120.400 -0.131 0.000 2.032 203 K HA -0.253 4.067 4.320 -0.000 0.000 0.209 203 K C 2.060 178.666 176.600 0.010 0.000 1.048 203 K CA 1.787 58.062 56.287 -0.020 0.000 0.927 203 K CB -0.568 31.919 32.500 -0.021 0.000 0.712 203 K HN 0.222 nan 8.250 nan 0.000 0.441 204 F N 0.108 119.937 119.950 -0.202 0.000 2.134 204 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 204 F C 1.420 177.237 175.800 0.029 0.000 1.097 204 F CA 1.451 59.377 58.000 -0.124 0.000 1.264 204 F CB -0.339 38.550 39.000 -0.185 0.000 1.001 204 F HN 0.079 nan 8.300 nan 0.000 0.479 205 Y N 0.643 120.928 120.300 -0.026 0.000 2.145 205 Y HA -0.032 4.518 4.550 -0.000 0.000 0.286 205 Y C 2.837 178.699 175.900 -0.064 0.000 1.145 205 Y CA 0.562 58.612 58.100 -0.084 0.000 1.148 205 Y CB -1.714 36.784 38.460 0.062 0.000 0.981 205 Y HN 0.107 nan 8.280 nan 0.000 0.507 206 G N 0.088 109.016 108.800 0.213 0.000 2.529 206 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.219 206 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.219 206 G C 1.525 176.542 174.900 0.195 0.000 1.177 206 G CA 1.378 46.681 45.100 0.338 0.000 0.773 206 G HN 0.478 nan 8.290 nan 0.000 0.573 207 E N 0.304 120.497 120.200 -0.011 0.000 2.209 207 E HA -0.068 4.282 4.350 -0.000 0.000 0.196 207 E C 1.466 177.900 176.600 -0.277 0.000 0.993 207 E CA 0.744 57.052 56.400 -0.153 0.000 0.819 207 E CB -0.015 29.595 29.700 -0.150 0.000 0.745 207 E HN 0.429 nan 8.360 nan 0.000 0.477 208 N N 0.170 118.655 118.700 -0.359 0.000 2.234 208 N HA 0.070 4.810 4.740 -0.000 0.000 0.227 208 N C -0.711 174.552 175.510 -0.411 0.000 1.151 208 N CA 0.087 52.873 53.050 -0.439 0.000 0.865 208 N CB 0.731 38.873 38.487 -0.575 0.000 1.066 208 N HN 0.015 nan 8.380 nan 0.000 0.515 209 K N 0.499 120.676 120.400 -0.371 0.000 3.192 209 K HA -0.146 4.173 4.320 -0.000 0.000 0.278 209 K C -0.685 175.786 176.600 -0.215 0.000 1.164 209 K CA 0.470 56.389 56.287 -0.613 0.000 0.816 209 K CB -1.668 30.079 32.500 -1.254 0.000 1.256 209 K HN 0.245 nan 8.250 nan 0.000 0.497 210 L N 1.646 122.852 121.223 -0.028 0.000 2.275 210 L HA 0.201 4.540 4.340 -0.000 0.000 0.288 210 L C 1.196 178.153 176.870 0.146 0.000 1.046 210 L CA -0.573 54.297 54.840 0.049 0.000 0.805 210 L CB 0.790 42.840 42.059 -0.014 0.000 1.193 210 L HN 0.214 nan 8.230 nan 0.000 0.426 211 N N -0.153 118.629 118.700 0.137 0.000 2.204 211 N HA 0.064 4.804 4.740 -0.000 0.000 0.219 211 N C -0.392 175.180 175.510 0.103 0.000 1.151 211 N CA -0.316 52.838 53.050 0.173 0.000 0.867 211 N CB 0.846 39.465 38.487 0.220 0.000 1.043 211 N HN 0.376 nan 8.380 nan 0.000 0.516 212 T N 0.568 115.155 114.554 0.054 0.000 2.928 212 T HA 0.270 4.619 4.350 -0.000 0.000 0.296 212 T C -2.073 172.695 174.700 0.113 0.000 1.000 212 T CA -0.548 61.572 62.100 0.034 0.000 0.989 212 T CB 1.457 70.233 68.868 -0.153 0.000 1.005 212 T HN 0.233 nan 8.240 nan 0.000 0.442 213 Y N 4.278 124.600 120.300 0.037 0.000 2.333 213 Y HA 0.577 5.127 4.550 -0.000 0.000 0.324 213 Y C -1.022 174.861 175.900 -0.028 0.000 1.033 213 Y CA -1.196 56.942 58.100 0.063 0.000 1.224 213 Y CB 0.596 39.226 38.460 0.283 0.000 1.120 213 Y HN 0.574 nan 8.280 nan 0.000 0.457 214 I N 7.226 127.656 120.570 -0.234 0.000 2.322 214 I HA 0.027 4.197 4.170 -0.000 0.000 0.292 214 I C -0.750 174.940 176.117 -0.712 0.000 1.060 214 I CA -0.408 60.647 61.300 -0.407 0.000 1.309 214 I CB 0.281 38.169 38.000 -0.187 0.000 1.415 214 I HN 0.634 nan 8.210 nan 0.000 0.492 215 Y N 7.262 126.912 120.300 -1.084 0.000 2.504 215 Y HA 0.495 5.045 4.550 -0.000 0.000 0.351 215 Y C 0.252 175.650 175.900 -0.837 0.000 0.988 215 Y CA -0.494 56.992 58.100 -1.023 0.000 1.239 215 Y CB 0.697 38.480 38.460 -1.129 0.000 1.128 215 Y HN 0.618 nan 8.280 nan 0.000 0.525 216 A N 8.389 130.529 122.820 -1.134 0.000 3.448 216 A HA 0.352 4.672 4.320 -0.000 0.000 0.232 216 A C -3.058 173.725 177.584 -1.336 0.000 1.018 216 A CA -1.063 50.202 52.037 -1.288 0.000 0.996 216 A CB -0.167 18.277 19.000 -0.927 0.000 1.283 216 A HN 0.506 nan 8.150 nan 0.000 0.586 217 P HA 0.210 nan 4.420 nan 0.000 0.277 217 P C 0.337 177.254 177.300 -0.638 0.000 1.240 217 P CA -0.148 62.433 63.100 -0.866 0.000 0.798 217 P CB 1.147 32.470 31.700 -0.628 0.000 0.979 218 K N 1.517 121.653 120.400 -0.439 0.000 2.283 218 K HA -0.094 4.225 4.320 -0.000 0.000 0.202 218 K C 1.066 177.613 176.600 -0.089 0.000 1.048 218 K CA 1.312 57.474 56.287 -0.208 0.000 0.948 218 K CB -0.559 31.817 32.500 -0.206 0.000 0.742 218 K HN 0.602 nan 8.250 nan 0.000 0.458 219 D N 0.271 120.614 120.400 -0.096 0.000 2.340 219 D HA -0.076 4.564 4.640 -0.000 0.000 0.220 219 D C -0.339 175.987 176.300 0.044 0.000 1.039 219 D CA 0.064 54.060 54.000 -0.006 0.000 0.866 219 D CB -0.037 40.779 40.800 0.027 0.000 0.913 219 D HN -0.146 nan 8.370 nan 0.000 0.523 220 D N 1.333 121.759 120.400 0.043 0.000 2.472 220 D HA 0.158 4.798 4.640 -0.000 0.000 0.234 220 D C -1.600 174.796 176.300 0.159 0.000 1.088 220 D CA -2.254 51.851 54.000 0.176 0.000 0.882 220 D CB 1.955 42.919 40.800 0.272 0.000 1.037 220 D HN -0.098 nan 8.370 nan 0.000 0.520 221 P HA -0.140 nan 4.420 nan 0.000 0.225 221 P C 0.776 177.909 177.300 -0.277 0.000 1.148 221 P CA 0.792 63.762 63.100 -0.216 0.000 0.779 221 P CB 0.021 31.477 31.700 -0.406 0.000 0.780 222 Y N -0.628 119.687 120.300 0.025 0.000 2.529 222 Y HA -0.051 4.499 4.550 -0.000 0.000 0.290 222 Y C 2.689 178.716 175.900 0.213 0.000 1.177 222 Y CA 0.470 58.527 58.100 -0.071 0.000 1.305 222 Y CB -0.829 37.265 38.460 -0.610 0.000 1.047 222 Y HN 0.245 nan 8.280 nan 0.000 0.522 223 H N -0.727 118.457 119.070 0.189 0.000 2.592 223 H HA 0.267 4.823 4.556 -0.000 0.000 0.265 223 H C 1.625 176.931 175.328 -0.035 0.000 0.955 223 H CA 0.602 56.674 56.048 0.040 0.000 1.175 223 H CB 0.358 29.922 29.762 -0.329 0.000 1.433 223 H HN 0.354 nan 8.280 nan 0.000 0.537 224 R N 0.384 120.612 120.500 -0.453 0.000 4.870 224 R HA 0.008 4.348 4.340 -0.000 0.000 0.117 224 R C 1.610 177.865 176.300 -0.075 0.000 0.874 224 R CA 0.459 56.297 56.100 -0.437 0.000 0.913 224 R CB 0.261 30.121 30.300 -0.733 0.000 1.441 224 R HN 0.131 nan 8.270 nan 0.000 0.411 225 E N 1.606 121.731 120.200 -0.125 0.000 2.338 225 E HA -0.103 4.246 4.350 -0.000 0.000 0.197 225 E C 0.081 176.605 176.600 -0.126 0.000 1.007 225 E CA 0.963 57.313 56.400 -0.083 0.000 0.849 225 E CB 0.190 29.828 29.700 -0.103 0.000 0.774 225 E HN 0.314 nan 8.360 nan 0.000 0.506 226 K N 1.126 121.414 120.400 -0.187 0.000 3.084 226 K HA 0.119 4.439 4.320 -0.000 0.000 0.210 226 K C 0.975 177.479 176.600 -0.161 0.000 1.137 226 K CA -0.379 55.756 56.287 -0.254 0.000 1.010 226 K CB 0.043 32.297 32.500 -0.410 0.000 0.806 226 K HN 0.208 nan 8.250 nan 0.000 0.460 227 W N 0.728 121.943 121.300 -0.141 0.000 2.364 227 W HA -0.163 4.497 4.660 -0.000 0.000 0.281 227 W C 0.844 177.325 176.519 -0.063 0.000 1.219 227 W CA 0.494 57.786 57.345 -0.088 0.000 1.220 227 W CB -0.489 28.886 29.460 -0.143 0.000 1.127 227 W HN 0.080 nan 8.180 nan 0.000 0.556 228 R N 0.929 120.903 120.500 -0.875 0.000 2.115 228 R HA -0.008 4.332 4.340 -0.000 0.000 0.226 228 R C 0.568 176.645 176.300 -0.372 0.000 1.100 228 R CA 0.837 56.405 56.100 -0.886 0.000 0.980 228 R CB -0.225 29.236 30.300 -1.398 0.000 0.875 228 R HN 0.213 nan 8.270 nan 0.000 0.445 229 E N 1.509 121.559 120.200 -0.251 0.000 2.316 229 E HA 0.103 4.453 4.350 -0.000 0.000 0.275 229 E C -2.344 174.222 176.600 -0.056 0.000 1.029 229 E CA -2.072 54.273 56.400 -0.092 0.000 0.871 229 E CB 0.754 30.464 29.700 0.018 0.000 1.022 229 E HN -0.010 nan 8.360 nan 0.000 0.418 230 P HA -0.073 nan 4.420 nan 0.000 0.270 230 P C -0.944 176.192 177.300 -0.273 0.000 1.223 230 P CA 0.109 63.150 63.100 -0.099 0.000 0.785 230 P CB 0.300 31.982 31.700 -0.030 0.000 0.923 231 Y N 2.158 122.270 120.300 -0.314 0.000 2.620 231 Y HA 0.067 4.617 4.550 -0.000 0.000 0.330 231 Y C -1.051 174.651 175.900 -0.329 0.000 1.186 231 Y CA -0.859 56.931 58.100 -0.518 0.000 1.467 231 Y CB -0.722 37.537 38.460 -0.335 0.000 1.262 231 Y HN 0.353 nan 8.280 nan 0.000 0.550 232 P HA 0.007 nan 4.420 nan 0.000 0.272 232 P C 0.200 177.487 177.300 -0.022 0.000 1.240 232 P CA -0.155 62.904 63.100 -0.068 0.000 0.791 232 P CB 1.067 32.748 31.700 -0.031 0.000 0.978 233 E N 0.763 120.955 120.200 -0.012 0.000 2.118 233 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 233 E C 2.031 178.625 176.600 -0.010 0.000 0.992 233 E CA 1.799 58.191 56.400 -0.012 0.000 0.804 233 E CB -0.799 28.896 29.700 -0.008 0.000 0.741 233 E HN 0.445 nan 8.360 nan 0.000 0.458 234 S N -0.247 115.455 115.700 0.004 0.000 2.421 234 S HA -0.246 4.224 4.470 -0.000 0.000 0.239 234 S C 1.446 176.055 174.600 0.015 0.000 1.054 234 S CA 1.668 59.878 58.200 0.015 0.000 1.035 234 S CB -0.198 63.024 63.200 0.037 0.000 0.840 234 S HN 0.259 nan 8.310 nan 0.000 0.475 235 E N -0.610 119.600 120.200 0.017 0.000 2.526 235 E HA 0.197 4.547 4.350 -0.000 0.000 0.208 235 E C 1.627 178.177 176.600 -0.084 0.000 0.997 235 E CA -0.090 56.324 56.400 0.023 0.000 0.961 235 E CB 0.018 29.819 29.700 0.169 0.000 1.030 235 E HN 0.526 nan 8.360 nan 0.000 0.483 236 M N 0.390 119.940 119.600 -0.084 0.000 2.159 236 M HA -0.118 4.362 4.480 -0.000 0.000 0.263 236 M C 2.087 178.303 176.300 -0.139 0.000 1.063 236 M CA 1.327 56.550 55.300 -0.128 0.000 1.110 236 M CB -0.664 31.887 32.600 -0.081 0.000 1.374 236 M HN 0.077 nan 8.290 nan 0.000 0.411 237 Q N 1.012 120.750 119.800 -0.103 0.000 1.993 237 Q HA -0.182 4.157 4.340 -0.000 0.000 0.202 237 Q C 2.143 178.073 176.000 -0.116 0.000 0.984 237 Q CA 2.096 57.844 55.803 -0.093 0.000 0.837 237 Q CB -0.219 28.479 28.738 -0.067 0.000 0.902 237 Q HN 0.664 nan 8.270 nan 0.000 0.423 238 R N -0.714 119.685 120.500 -0.169 0.000 2.092 238 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 238 R C 2.220 178.439 176.300 -0.135 0.000 1.119 238 R CA 1.336 57.282 56.100 -0.257 0.000 0.970 238 R CB -0.450 29.485 30.300 -0.607 0.000 0.864 238 R HN 0.111 nan 8.270 nan 0.000 0.440 239 M N 0.964 120.431 119.600 -0.221 0.000 2.080 239 M HA -0.138 4.342 4.480 -0.000 0.000 0.260 239 M C 2.250 178.341 176.300 -0.348 0.000 1.068 239 M CA 1.779 56.872 55.300 -0.346 0.000 1.109 239 M CB -0.817 31.439 32.600 -0.573 0.000 1.342 239 M HN 0.244 nan 8.290 nan 0.000 0.405 240 Q N 0.410 120.054 119.800 -0.258 0.000 2.124 240 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 240 Q C 1.825 177.721 176.000 -0.175 0.000 0.977 240 Q CA 1.709 57.380 55.803 -0.219 0.000 0.850 240 Q CB -0.085 28.563 28.738 -0.150 0.000 0.901 240 Q HN 0.531 nan 8.270 nan 0.000 0.429 241 E N -0.460 119.686 120.200 -0.091 0.000 2.058 241 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 241 E C 1.962 178.528 176.600 -0.057 0.000 0.997 241 E CA 1.322 57.712 56.400 -0.016 0.000 0.801 241 E CB -0.175 29.610 29.700 0.143 0.000 0.746 241 E HN 0.366 nan 8.360 nan 0.000 0.450 242 L N 0.503 121.681 121.223 -0.074 0.000 2.017 242 L HA -0.204 4.135 4.340 -0.000 0.000 0.208 242 L C 2.502 179.152 176.870 -0.366 0.000 1.073 242 L CA 0.974 55.732 54.840 -0.137 0.000 0.745 242 L CB -0.430 41.566 42.059 -0.106 0.000 0.894 242 L HN 0.151 nan 8.230 nan 0.000 0.432 243 I N 0.081 120.268 120.570 -0.639 0.000 2.163 243 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 243 I C 2.245 178.193 176.117 -0.282 0.000 1.085 243 I CA 1.267 62.163 61.300 -0.673 0.000 1.347 243 I CB -0.375 37.265 38.000 -0.601 0.000 1.044 243 I HN 0.342 nan 8.210 nan 0.000 0.408 244 N N 0.876 119.457 118.700 -0.199 0.000 2.171 244 N HA -0.052 4.688 4.740 -0.000 0.000 0.184 244 N C 1.924 177.391 175.510 -0.072 0.000 1.021 244 N CA 1.446 54.428 53.050 -0.113 0.000 0.854 244 N CB -0.461 37.971 38.487 -0.093 0.000 0.994 244 N HN 0.322 nan 8.380 nan 0.000 0.426 245 A N 0.832 123.614 122.820 -0.063 0.000 1.908 245 A HA -0.142 4.177 4.320 -0.000 0.000 0.218 245 A C 2.489 180.074 177.584 0.001 0.000 1.181 245 A CA 1.899 53.919 52.037 -0.029 0.000 0.627 245 A CB -0.805 18.175 19.000 -0.034 0.000 0.818 245 A HN 0.266 nan 8.150 nan 0.000 0.445 246 S N -0.096 115.626 115.700 0.036 0.000 2.351 246 S HA -0.118 4.352 4.470 -0.000 0.000 0.220 246 S C 2.367 176.988 174.600 0.035 0.000 1.035 246 S CA 1.498 59.769 58.200 0.118 0.000 1.031 246 S CB -0.664 62.692 63.200 0.260 0.000 0.928 246 S HN 0.856 nan 8.310 nan 0.000 0.433 247 A N 1.363 124.179 122.820 -0.007 0.000 1.933 247 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 247 A C 1.931 179.446 177.584 -0.116 0.000 1.175 247 A CA 1.593 53.599 52.037 -0.052 0.000 0.628 247 A CB -0.637 18.333 19.000 -0.051 0.000 0.814 247 A HN 0.571 nan 8.150 nan 0.000 0.444 248 E N -0.112 120.033 120.200 -0.091 0.000 2.333 248 E HA -0.099 4.251 4.350 -0.000 0.000 0.198 248 E C 0.660 177.152 176.600 -0.181 0.000 1.007 248 E CA 0.808 57.152 56.400 -0.094 0.000 0.845 248 E CB -0.046 29.639 29.700 -0.025 0.000 0.766 248 E HN 0.550 nan 8.360 nan 0.000 0.507 249 N N 0.249 118.821 118.700 -0.213 0.000 2.204 249 N HA 0.016 4.756 4.740 -0.000 0.000 0.219 249 N C -0.577 174.581 175.510 -0.587 0.000 1.151 249 N CA 0.100 52.958 53.050 -0.321 0.000 0.867 249 N CB 0.832 39.342 38.487 0.038 0.000 1.043 249 N HN -0.095 nan 8.380 nan 0.000 0.516 250 K N -0.144 119.925 120.400 -0.552 0.000 3.069 250 K HA -0.112 4.208 4.320 -0.000 0.000 0.267 250 K C -0.664 175.897 176.600 -0.066 0.000 1.082 250 K CA 0.302 56.364 56.287 -0.376 0.000 0.782 250 K CB -2.443 29.678 32.500 -0.632 0.000 1.230 250 K HN 0.027 nan 8.250 nan 0.000 0.488 251 V N 1.788 121.713 119.914 0.018 0.000 2.370 251 V HA 0.148 4.268 4.120 -0.000 0.000 0.279 251 V C 0.437 176.637 176.094 0.177 0.000 1.029 251 V CA -0.874 61.520 62.300 0.157 0.000 0.870 251 V CB 1.650 33.628 31.823 0.259 0.000 0.984 251 V HN 0.078 nan 8.190 nan 0.000 0.451 252 D N 4.474 124.976 120.400 0.169 0.000 2.349 252 D HA 0.056 4.696 4.640 -0.000 0.000 0.266 252 D C -0.207 176.232 176.300 0.231 0.000 1.293 252 D CA 0.175 54.279 54.000 0.173 0.000 0.926 252 D CB 0.522 41.403 40.800 0.135 0.000 1.090 252 D HN 0.432 nan 8.370 nan 0.000 0.502 253 F N 3.648 123.656 119.950 0.096 0.000 2.462 253 F HA 0.114 4.640 4.527 -0.000 0.000 0.360 253 F C -0.303 175.496 175.800 -0.002 0.000 1.134 253 F CA -0.549 57.494 58.000 0.071 0.000 1.148 253 F CB 0.359 39.389 39.000 0.049 0.000 1.147 253 F HN -0.005 nan 8.300 nan 0.000 0.550 254 V N 8.313 127.987 119.914 -0.400 0.000 2.364 254 V HA 0.115 4.235 4.120 -0.000 0.000 0.272 254 V C -0.200 175.588 176.094 -0.511 0.000 1.036 254 V CA -0.726 61.394 62.300 -0.300 0.000 0.880 254 V CB 0.689 32.456 31.823 -0.092 0.000 0.991 254 V HN 0.606 nan 8.190 nan 0.000 0.460 255 F N 4.241 123.896 119.950 -0.491 0.000 2.413 255 F HA 0.620 5.147 4.527 -0.000 0.000 0.359 255 F C 0.988 176.713 175.800 -0.126 0.000 1.122 255 F CA -0.244 57.578 58.000 -0.296 0.000 1.160 255 F CB 0.599 39.524 39.000 -0.125 0.000 1.146 255 F HN 0.563 nan 8.300 nan 0.000 0.514 256 G N 7.767 116.230 108.800 -0.563 0.000 2.320 256 G HA2 0.427 4.387 3.960 -0.000 0.000 0.300 256 G HA3 0.427 4.387 3.960 -0.000 0.000 0.300 256 G C -1.115 173.455 174.900 -0.549 0.000 1.126 256 G CA -0.570 44.232 45.100 -0.497 0.000 0.896 256 G HN 0.778 nan 8.290 nan 0.000 0.436 257 I N 1.532 121.918 120.570 -0.307 0.000 2.441 257 I HA 0.516 4.685 4.170 -0.000 0.000 0.295 257 I C -0.248 175.576 176.117 -0.489 0.000 0.994 257 I CA -0.705 60.453 61.300 -0.237 0.000 1.144 257 I CB 1.904 39.930 38.000 0.043 0.000 1.314 257 I HN 0.325 nan 8.210 nan 0.000 0.445 258 S N 8.758 124.129 115.700 -0.548 0.000 2.406 258 S HA 0.339 4.809 4.470 -0.000 0.000 0.224 258 S C -1.991 172.202 174.600 -0.679 0.000 1.426 258 S CA -0.939 56.915 58.200 -0.576 0.000 1.179 258 S CB 0.885 63.785 63.200 -0.500 0.000 1.042 258 S HN 0.572 nan 8.310 nan 0.000 0.479 259 P HA 0.059 nan 4.420 nan 0.000 0.236 259 P C 1.650 178.483 177.300 -0.778 0.000 1.177 259 P CA 0.358 62.473 63.100 -1.641 0.000 0.773 259 P CB -0.113 30.484 31.700 -1.838 0.000 0.878 260 G N 1.763 110.318 108.800 -0.408 0.000 2.503 260 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.221 260 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.221 260 G C 1.361 176.237 174.900 -0.040 0.000 1.131 260 G CA 1.260 46.301 45.100 -0.098 0.000 0.756 260 G HN 0.299 nan 8.290 nan 0.000 0.572 261 I N 1.461 121.996 120.570 -0.058 0.000 2.248 261 I HA -0.078 4.091 4.170 -0.000 0.000 0.248 261 I C 1.690 177.842 176.117 0.058 0.000 1.107 261 I CA 2.046 63.355 61.300 0.015 0.000 1.373 261 I CB -0.314 37.709 38.000 0.039 0.000 1.055 261 I HN 0.397 nan 8.210 nan 0.000 0.418 262 D N -1.390 119.073 120.400 0.104 0.000 2.489 262 D HA 0.120 4.760 4.640 -0.000 0.000 0.343 262 D C 0.552 176.941 176.300 0.148 0.000 1.295 262 D CA -0.493 53.583 54.000 0.126 0.000 0.908 262 D CB -1.003 39.877 40.800 0.134 0.000 1.382 262 D HN 0.301 nan 8.370 nan 0.000 0.468 263 I N 1.579 122.222 120.570 0.121 0.000 2.919 263 I HA -0.001 4.168 4.170 -0.000 0.000 0.303 263 I C -0.184 175.817 176.117 -0.195 0.000 1.221 263 I CA 0.356 61.676 61.300 0.033 0.000 1.444 263 I CB 0.289 38.130 38.000 -0.265 0.000 1.331 263 I HN -0.066 nan 8.210 nan 0.000 0.572 264 R N 6.508 126.945 120.500 -0.106 0.000 2.474 264 R HA 0.363 4.702 4.340 -0.000 0.000 0.295 264 R C -0.325 175.885 176.300 -0.151 0.000 0.980 264 R CA -0.387 55.649 56.100 -0.106 0.000 0.934 264 R CB 1.146 31.474 30.300 0.047 0.000 1.101 264 R HN 0.609 nan 8.270 nan 0.000 0.469 265 F N -0.598 119.443 119.950 0.153 0.000 2.694 265 F HA 0.188 4.715 4.527 -0.000 0.000 0.292 265 F C 0.226 176.083 175.800 0.094 0.000 1.121 265 F CA -0.230 57.849 58.000 0.132 0.000 1.352 265 F CB 0.757 39.810 39.000 0.089 0.000 1.107 265 F HN 0.340 nan 8.300 nan 0.000 0.597 266 D N 0.037 120.583 120.400 0.243 0.000 2.163 266 D HA 0.465 5.105 4.640 -0.000 0.000 0.248 266 D C 0.717 177.086 176.300 0.116 0.000 1.035 266 D CA 0.724 54.818 54.000 0.156 0.000 0.872 266 D CB 1.436 42.311 40.800 0.125 0.000 1.183 266 D HN 0.267 nan 8.370 nan 0.000 0.445 267 G N 2.704 111.557 108.800 0.088 0.000 2.552 267 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.265 267 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.265 267 G C 0.678 175.622 174.900 0.074 0.000 1.234 267 G CA 0.289 45.430 45.100 0.068 0.000 0.944 267 G HN 0.476 nan 8.290 nan 0.000 0.568 268 D N 0.420 120.857 120.400 0.062 0.000 2.144 268 D HA 0.066 4.705 4.640 -0.000 0.000 0.199 268 D C 2.808 179.155 176.300 0.078 0.000 0.984 268 D CA 2.393 56.430 54.000 0.061 0.000 0.834 268 D CB -0.811 40.017 40.800 0.046 0.000 0.955 268 D HN 0.867 nan 8.370 nan 0.000 0.465 269 A N 0.808 123.678 122.820 0.083 0.000 1.883 269 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 269 A C 2.419 180.083 177.584 0.134 0.000 1.186 269 A CA 2.309 54.405 52.037 0.099 0.000 0.624 269 A CB -1.210 17.842 19.000 0.088 0.000 0.822 269 A HN 0.320 nan 8.150 nan 0.000 0.444 270 G N -0.806 108.081 108.800 0.145 0.000 2.422 270 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.218 270 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.218 270 G C 1.472 176.510 174.900 0.231 0.000 1.146 270 G CA 1.382 46.599 45.100 0.196 0.000 0.769 270 G HN 0.570 nan 8.290 nan 0.000 0.547 271 E N 0.670 120.975 120.200 0.174 0.000 2.028 271 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 271 E C 2.273 178.990 176.600 0.195 0.000 0.988 271 E CA 1.396 57.904 56.400 0.180 0.000 0.799 271 E CB -0.397 29.368 29.700 0.108 0.000 0.755 271 E HN 0.544 nan 8.360 nan 0.000 0.447 272 E N -0.080 120.195 120.200 0.126 0.000 2.070 272 E HA -0.264 4.085 4.350 -0.000 0.000 0.197 272 E C 1.364 178.028 176.600 0.107 0.000 1.004 272 E CA 1.766 58.198 56.400 0.054 0.000 0.805 272 E CB -0.150 29.581 29.700 0.052 0.000 0.744 272 E HN 0.256 nan 8.360 nan 0.000 0.451 273 D N -0.467 120.088 120.400 0.258 0.000 2.144 273 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 273 D C 1.583 178.149 176.300 0.443 0.000 0.978 273 D CA 0.638 54.877 54.000 0.398 0.000 0.833 273 D CB -0.390 40.648 40.800 0.396 0.000 0.961 273 D HN 0.219 nan 8.370 nan 0.000 0.470 274 F N 1.412 121.520 119.950 0.263 0.000 2.171 274 F HA -0.116 4.411 4.527 -0.000 0.000 0.300 274 F C 1.716 177.646 175.800 0.217 0.000 1.090 274 F CA 1.321 59.477 58.000 0.260 0.000 1.293 274 F CB -0.235 38.897 39.000 0.221 0.000 1.013 274 F HN -0.084 nan 8.300 nan 0.000 0.486 275 N N -1.468 117.333 118.700 0.168 0.000 2.331 275 N HA -0.169 4.571 4.740 -0.000 0.000 0.180 275 N C 1.646 177.124 175.510 -0.052 0.000 1.019 275 N CA 0.638 53.697 53.050 0.015 0.000 0.881 275 N CB -0.206 38.294 38.487 0.021 0.000 0.972 275 N HN 0.253 nan 8.380 nan 0.000 0.435 276 H N 0.649 119.723 119.070 0.007 0.000 2.353 276 H HA -0.074 4.481 4.556 -0.000 0.000 0.300 276 H C 2.109 177.432 175.328 -0.009 0.000 1.090 276 H CA 0.876 56.893 56.048 -0.052 0.000 1.327 276 H CB -0.357 29.312 29.762 -0.155 0.000 1.383 276 H HN 0.170 nan 8.280 nan 0.000 0.508 277 L N 0.734 122.085 121.223 0.214 0.000 2.012 277 L HA -0.161 4.178 4.340 -0.000 0.000 0.210 277 L C 2.228 179.081 176.870 -0.027 0.000 1.073 277 L CA 1.239 56.166 54.840 0.145 0.000 0.748 277 L CB -0.665 41.414 42.059 0.033 0.000 0.891 277 L HN 0.118 nan 8.230 nan 0.000 0.431 278 I N -0.771 119.690 120.570 -0.182 0.000 2.127 278 I HA -0.301 3.869 4.170 -0.000 0.000 0.241 278 I C 2.376 178.425 176.117 -0.114 0.000 1.075 278 I CA 1.840 63.017 61.300 -0.205 0.000 1.334 278 I CB -1.740 36.144 38.000 -0.194 0.000 1.040 278 I HN 0.303 nan 8.210 nan 0.000 0.405 279 T N 0.865 115.394 114.554 -0.042 0.000 2.635 279 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 279 T C 1.955 176.662 174.700 0.013 0.000 1.040 279 T CA 2.124 64.225 62.100 0.003 0.000 1.156 279 T CB -0.244 68.641 68.868 0.028 0.000 0.863 279 T HN 0.107 nan 8.240 nan 0.000 0.430 280 K N 1.776 122.187 120.400 0.020 0.000 2.063 280 K HA 0.018 4.338 4.320 -0.000 0.000 0.208 280 K C 2.216 178.822 176.600 0.009 0.000 1.048 280 K CA 1.641 57.944 56.287 0.026 0.000 0.928 280 K CB -0.840 31.702 32.500 0.071 0.000 0.713 280 K HN 0.283 nan 8.250 nan 0.000 0.442 281 A N 0.879 123.636 122.820 -0.105 0.000 1.930 281 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 281 A C 1.942 179.498 177.584 -0.047 0.000 1.175 281 A CA 1.584 53.428 52.037 -0.323 0.000 0.627 281 A CB -0.460 17.845 19.000 -1.159 0.000 0.815 281 A HN 0.398 nan 8.150 nan 0.000 0.443 282 E N 0.612 120.842 120.200 0.049 0.000 2.031 282 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 282 E C 2.496 179.244 176.600 0.247 0.000 0.994 282 E CA 1.657 58.210 56.400 0.255 0.000 0.800 282 E CB -0.703 29.088 29.700 0.151 0.000 0.752 282 E HN 0.767 nan 8.360 nan 0.000 0.447 283 S N 1.099 116.885 115.700 0.144 0.000 2.387 283 S HA -0.159 4.310 4.470 -0.000 0.000 0.230 283 S C 2.231 176.911 174.600 0.134 0.000 1.035 283 S CA 1.085 59.355 58.200 0.115 0.000 1.014 283 S CB -0.611 62.630 63.200 0.067 0.000 0.836 283 S HN 0.156 nan 8.310 nan 0.000 0.466 284 L N -0.829 120.498 121.223 0.173 0.000 2.095 284 L HA 0.071 4.410 4.340 -0.000 0.000 0.204 284 L C 2.595 179.643 176.870 0.296 0.000 1.080 284 L CA 1.434 56.378 54.840 0.174 0.000 0.759 284 L CB -0.671 41.484 42.059 0.159 0.000 0.914 284 L HN 0.277 nan 8.230 nan 0.000 0.439 285 Y N 1.216 121.739 120.300 0.372 0.000 2.207 285 Y HA -0.316 4.233 4.550 -0.000 0.000 0.287 285 Y C 2.177 178.185 175.900 0.179 0.000 1.156 285 Y CA 1.751 60.071 58.100 0.365 0.000 1.182 285 Y CB -0.137 38.587 38.460 0.440 0.000 0.979 285 Y HN 0.245 nan 8.280 nan 0.000 0.521 286 D N -0.366 120.187 120.400 0.255 0.000 2.264 286 D HA -0.146 4.494 4.640 -0.000 0.000 0.208 286 D C 1.613 177.920 176.300 0.011 0.000 0.966 286 D CA 1.382 55.456 54.000 0.123 0.000 0.864 286 D CB -0.203 40.670 40.800 0.123 0.000 0.933 286 D HN 0.475 nan 8.370 nan 0.000 0.499 287 M N -1.276 118.321 119.600 -0.006 0.000 2.495 287 M HA 0.206 4.686 4.480 -0.000 0.000 0.237 287 M C 1.102 177.332 176.300 -0.118 0.000 1.131 287 M CA 0.327 55.583 55.300 -0.074 0.000 1.032 287 M CB 0.978 33.517 32.600 -0.102 0.000 1.513 287 M HN 0.055 nan 8.290 nan 0.000 0.488 288 G N 0.553 109.271 108.800 -0.137 0.000 2.157 288 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.239 288 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.239 288 G C 0.015 174.838 174.900 -0.128 0.000 0.982 288 G CA -0.329 44.663 45.100 -0.181 0.000 0.650 288 G HN 0.283 nan 8.290 nan 0.000 0.527 289 V N 1.246 121.132 119.914 -0.047 0.000 2.585 289 V HA 0.433 4.552 4.120 -0.000 0.000 0.296 289 V C 1.315 177.477 176.094 0.113 0.000 1.035 289 V CA 0.233 62.550 62.300 0.029 0.000 1.084 289 V CB 1.323 33.147 31.823 0.001 0.000 0.953 289 V HN 0.327 nan 8.190 nan 0.000 0.483 290 R N 1.848 122.407 120.500 0.099 0.000 2.541 290 R HA 0.313 4.653 4.340 -0.000 0.000 0.332 290 R C -0.178 176.301 176.300 0.299 0.000 0.951 290 R CA -0.046 56.218 56.100 0.274 0.000 1.136 290 R CB 1.134 31.531 30.300 0.163 0.000 1.449 290 R HN 0.612 nan 8.270 nan 0.000 0.531 291 S N 0.524 116.253 115.700 0.047 0.000 2.571 291 S HA 0.695 5.165 4.470 -0.000 0.000 0.284 291 S C -1.238 173.250 174.600 -0.187 0.000 1.128 291 S CA -0.417 57.852 58.200 0.116 0.000 0.970 291 S CB 1.576 64.852 63.200 0.126 0.000 1.039 291 S HN 0.021 nan 8.310 nan 0.000 0.485 292 F N 1.283 121.419 119.950 0.311 0.000 2.565 292 F HA 0.768 5.295 4.527 -0.000 0.000 0.313 292 F C 0.148 176.053 175.800 0.174 0.000 1.091 292 F CA -0.716 57.447 58.000 0.272 0.000 0.915 292 F CB 1.836 41.046 39.000 0.350 0.000 1.208 292 F HN 0.639 nan 8.300 nan 0.000 0.453 293 A N 3.574 126.549 122.820 0.259 0.000 2.371 293 A HA 0.881 5.201 4.320 -0.000 0.000 0.311 293 A C -1.161 176.474 177.584 0.084 0.000 1.068 293 A CA -0.583 51.565 52.037 0.184 0.000 0.744 293 A CB 0.914 20.063 19.000 0.248 0.000 1.239 293 A HN 0.724 nan 8.150 nan 0.000 0.435 294 I N 2.648 123.217 120.570 -0.002 0.000 2.382 294 I HA 0.295 4.465 4.170 -0.000 0.000 0.286 294 I C -1.245 174.690 176.117 -0.303 0.000 1.002 294 I CA -0.515 60.623 61.300 -0.271 0.000 1.135 294 I CB 1.202 38.932 38.000 -0.450 0.000 1.288 294 I HN 0.549 nan 8.210 nan 0.000 0.448 295 Y N 4.705 124.618 120.300 -0.645 0.000 2.313 295 Y HA 0.177 4.726 4.550 -0.000 0.000 0.332 295 Y C 0.056 175.513 175.900 -0.739 0.000 1.071 295 Y CA -1.163 56.620 58.100 -0.529 0.000 1.169 295 Y CB 0.992 39.248 38.460 -0.341 0.000 1.192 295 Y HN 0.583 nan 8.280 nan 0.000 0.487 296 W N 1.162 122.409 121.300 -0.088 0.000 2.846 296 W HA 0.104 4.763 4.660 -0.000 0.000 0.391 296 W C 1.230 177.641 176.519 -0.181 0.000 1.011 296 W CA -0.306 56.905 57.345 -0.224 0.000 1.832 296 W CB 0.537 29.780 29.460 -0.362 0.000 1.151 296 W HN 0.561 nan 8.180 nan 0.000 0.582 297 D N 0.608 121.011 120.400 0.005 0.000 2.178 297 D HA -0.200 4.440 4.640 -0.000 0.000 0.202 297 D C 1.114 177.439 176.300 0.041 0.000 0.974 297 D CA 1.807 55.802 54.000 -0.007 0.000 0.841 297 D CB -0.528 40.093 40.800 -0.298 0.000 0.953 297 D HN 0.280 nan 8.370 nan 0.000 0.478 298 D N -0.041 120.373 120.400 0.022 0.000 2.398 298 D HA 0.097 4.737 4.640 -0.000 0.000 0.210 298 D C 0.939 177.261 176.300 0.038 0.000 1.094 298 D CA -0.658 53.357 54.000 0.025 0.000 0.839 298 D CB -0.332 40.475 40.800 0.011 0.000 0.963 298 D HN 0.289 nan 8.370 nan 0.000 0.506 299 I N 1.201 121.815 120.570 0.072 0.000 2.634 299 I HA -0.031 4.139 4.170 -0.000 0.000 0.284 299 I C 0.086 176.272 176.117 0.114 0.000 1.124 299 I CA -0.100 61.275 61.300 0.124 0.000 1.417 299 I CB 0.780 38.926 38.000 0.244 0.000 1.396 299 I HN -0.128 nan 8.210 nan 0.000 0.571 300 Q N 6.065 125.932 119.800 0.111 0.000 2.579 300 Q HA 0.197 4.537 4.340 -0.000 0.000 0.344 300 Q C -1.067 175.001 176.000 0.113 0.000 0.997 300 Q CA -0.183 55.669 55.803 0.083 0.000 0.991 300 Q CB -0.367 28.405 28.738 0.057 0.000 1.279 300 Q HN 0.708 nan 8.270 nan 0.000 0.420 301 D N -1.726 118.774 120.400 0.166 0.000 2.758 301 D HA 0.381 5.020 4.640 -0.000 0.000 0.262 301 D C -0.184 176.180 176.300 0.107 0.000 1.113 301 D CA -0.841 53.243 54.000 0.140 0.000 1.114 301 D CB 1.065 41.979 40.800 0.191 0.000 1.363 301 D HN -0.182 nan 8.370 nan 0.000 0.617 302 K N -0.640 119.798 120.400 0.063 0.000 3.320 302 K HA 0.277 4.596 4.320 -0.000 0.000 0.194 302 K C -0.866 175.760 176.600 0.044 0.000 1.085 302 K CA -0.342 56.004 56.287 0.099 0.000 0.901 302 K CB 1.092 33.628 32.500 0.059 0.000 0.765 302 K HN 0.241 nan 8.250 nan 0.000 0.480 303 S N 1.672 117.213 115.700 -0.265 0.000 4.183 303 S HA 0.094 4.564 4.470 -0.000 0.000 0.195 303 S C 1.445 175.518 174.600 -0.879 0.000 1.421 303 S CA -0.174 57.717 58.200 -0.515 0.000 0.920 303 S CB 0.369 63.245 63.200 -0.541 0.000 1.525 303 S HN 0.503 nan 8.310 nan 0.000 0.447 304 A N 2.834 125.293 122.820 -0.602 0.000 1.896 304 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 304 A C 2.366 179.677 177.584 -0.454 0.000 1.206 304 A CA 2.059 53.680 52.037 -0.695 0.000 0.647 304 A CB -1.102 17.423 19.000 -0.792 0.000 0.828 304 A HN 0.763 nan 8.150 nan 0.000 0.455 305 A N -0.862 121.715 122.820 -0.405 0.000 1.969 305 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 305 A C 2.106 179.473 177.584 -0.362 0.000 1.169 305 A CA 1.747 53.590 52.037 -0.323 0.000 0.635 305 A CB -0.369 18.481 19.000 -0.250 0.000 0.810 305 A HN 0.592 nan 8.150 nan 0.000 0.445 306 K N -1.008 119.070 120.400 -0.536 0.000 2.062 306 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 306 K C 1.840 178.034 176.600 -0.676 0.000 1.051 306 K CA 1.484 57.353 56.287 -0.696 0.000 0.941 306 K CB -0.369 31.438 32.500 -1.155 0.000 0.719 306 K HN 0.756 nan 8.250 nan 0.000 0.440 307 H N 0.256 118.829 119.070 -0.829 0.000 2.290 307 H HA -0.113 4.442 4.556 -0.000 0.000 0.298 307 H C 2.221 177.367 175.328 -0.303 0.000 1.087 307 H CA 0.884 56.336 56.048 -0.994 0.000 1.291 307 H CB -0.051 28.992 29.762 -1.197 0.000 1.369 307 H HN 0.261 nan 8.280 nan 0.000 0.492 308 A N 0.921 123.674 122.820 -0.113 0.000 1.972 308 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 308 A C 2.295 179.842 177.584 -0.061 0.000 1.169 308 A CA 1.308 53.225 52.037 -0.201 0.000 0.635 308 A CB -0.310 18.403 19.000 -0.479 0.000 0.810 308 A HN 0.321 nan 8.150 nan 0.000 0.446 309 Q N -0.068 119.688 119.800 -0.073 0.000 2.046 309 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 309 Q C 2.266 178.328 176.000 0.105 0.000 0.975 309 Q CA 1.776 57.566 55.803 -0.021 0.000 0.836 309 Q CB -0.530 28.164 28.738 -0.073 0.000 0.896 309 Q HN 0.440 nan 8.270 nan 0.000 0.428 310 V N 1.314 121.369 119.914 0.235 0.000 2.332 310 V HA -0.288 3.831 4.120 -0.000 0.000 0.248 310 V C 2.553 178.980 176.094 0.556 0.000 1.055 310 V CA 1.523 64.119 62.300 0.493 0.000 1.038 310 V CB -0.662 31.600 31.823 0.733 0.000 0.651 310 V HN 0.285 nan 8.190 nan 0.000 0.450 311 L N 0.024 121.535 121.223 0.480 0.000 1.994 311 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 311 L C 2.521 179.610 176.870 0.365 0.000 1.071 311 L CA 1.743 56.842 54.840 0.432 0.000 0.745 311 L CB -0.889 41.407 42.059 0.395 0.000 0.892 311 L HN 0.360 nan 8.230 nan 0.000 0.431 312 N N 0.032 118.869 118.700 0.228 0.000 2.104 312 N HA -0.213 4.526 4.740 -0.000 0.000 0.190 312 N C 1.916 177.539 175.510 0.188 0.000 1.024 312 N CA 1.307 54.451 53.050 0.157 0.000 0.853 312 N CB -0.323 38.198 38.487 0.057 0.000 1.008 312 N HN 0.267 nan 8.380 nan 0.000 0.424 313 R N -0.575 120.047 120.500 0.204 0.000 2.090 313 R HA -0.011 4.329 4.340 -0.000 0.000 0.228 313 R C 2.068 178.658 176.300 0.484 0.000 1.110 313 R CA 0.617 56.821 56.100 0.173 0.000 0.973 313 R CB -0.317 29.855 30.300 -0.212 0.000 0.869 313 R HN 0.166 nan 8.270 nan 0.000 0.440 314 F N 1.703 121.976 119.950 0.539 0.000 2.134 314 F HA -0.204 4.323 4.527 -0.000 0.000 0.299 314 F C 1.984 177.957 175.800 0.288 0.000 1.097 314 F CA 1.897 60.143 58.000 0.411 0.000 1.264 314 F CB -0.339 38.821 39.000 0.267 0.000 1.001 314 F HN 0.081 nan 8.300 nan 0.000 0.479 315 N N 0.219 119.166 118.700 0.412 0.000 2.166 315 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 315 N C 1.770 177.357 175.510 0.128 0.000 1.019 315 N CA 1.580 54.791 53.050 0.268 0.000 0.856 315 N CB -0.188 38.454 38.487 0.258 0.000 0.993 315 N HN 0.301 nan 8.380 nan 0.000 0.426 316 E N 0.475 120.750 120.200 0.125 0.000 2.033 316 E HA -0.051 4.299 4.350 -0.000 0.000 0.189 316 E C 1.525 178.145 176.600 0.034 0.000 0.979 316 E CA 0.846 57.287 56.400 0.069 0.000 0.802 316 E CB -0.221 29.520 29.700 0.069 0.000 0.763 316 E HN 0.551 nan 8.360 nan 0.000 0.449 317 E N -0.961 119.284 120.200 0.076 0.000 2.427 317 E HA -0.048 4.302 4.350 -0.000 0.000 0.196 317 E C 1.198 177.777 176.600 -0.035 0.000 1.028 317 E CA 0.299 56.733 56.400 0.056 0.000 0.864 317 E CB 0.219 30.032 29.700 0.188 0.000 0.813 317 E HN 0.097 nan 8.360 nan 0.000 0.514 318 F N -0.711 119.035 119.950 -0.341 0.000 2.362 318 F HA 0.019 4.546 4.527 -0.000 0.000 0.264 318 F C 1.885 177.452 175.800 -0.388 0.000 0.905 318 F CA 0.358 58.038 58.000 -0.533 0.000 1.142 318 F CB -0.386 37.957 39.000 -1.095 0.000 1.250 318 F HN -0.159 nan 8.300 nan 0.000 0.771 319 V N 1.634 121.422 119.914 -0.210 0.000 2.261 319 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 319 V C 2.163 178.185 176.094 -0.120 0.000 1.047 319 V CA 2.463 64.702 62.300 -0.101 0.000 1.015 319 V CB -0.717 31.223 31.823 0.195 0.000 0.642 319 V HN 0.409 nan 8.190 nan 0.000 0.446 320 K N 0.421 120.784 120.400 -0.060 0.000 2.057 320 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 320 K C 2.410 178.950 176.600 -0.100 0.000 1.049 320 K CA 1.589 57.849 56.287 -0.044 0.000 0.931 320 K CB -0.623 31.872 32.500 -0.007 0.000 0.714 320 K HN 0.653 nan 8.250 nan 0.000 0.440 321 A N 1.612 124.337 122.820 -0.158 0.000 2.019 321 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 321 A C 1.840 179.273 177.584 -0.253 0.000 1.164 321 A CA 1.380 53.308 52.037 -0.182 0.000 0.644 321 A CB -0.100 18.788 19.000 -0.186 0.000 0.805 321 A HN 0.093 nan 8.150 nan 0.000 0.449 322 K N -1.690 118.482 120.400 -0.380 0.000 2.243 322 K HA 0.086 4.405 4.320 -0.000 0.000 0.201 322 K C 1.639 178.149 176.600 -0.150 0.000 1.051 322 K CA 0.892 56.944 56.287 -0.392 0.000 0.970 322 K CB -0.551 31.526 32.500 -0.704 0.000 0.755 322 K HN 0.700 nan 8.250 nan 0.000 0.465 323 G N 1.707 110.449 108.800 -0.097 0.000 2.322 323 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.264 323 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.264 323 G C 0.897 175.818 174.900 0.035 0.000 0.992 323 G CA 1.169 46.259 45.100 -0.017 0.000 0.624 323 G HN 0.412 nan 8.290 nan 0.000 0.543 324 D N -0.344 120.092 120.400 0.061 0.000 2.389 324 D HA 0.284 4.924 4.640 -0.000 0.000 0.206 324 D C 1.039 177.457 176.300 0.197 0.000 1.055 324 D CA 0.309 54.393 54.000 0.140 0.000 0.856 324 D CB 0.397 41.337 40.800 0.233 0.000 0.957 324 D HN 0.273 nan 8.370 nan 0.000 0.509 325 V N 2.197 122.227 119.914 0.193 0.000 2.481 325 V HA 0.204 4.324 4.120 -0.000 0.000 0.286 325 V C 0.688 176.940 176.094 0.262 0.000 1.042 325 V CA -0.875 61.604 62.300 0.298 0.000 0.928 325 V CB 1.712 33.736 31.823 0.336 0.000 0.986 325 V HN -0.073 nan 8.190 nan 0.000 0.462 326 K N 3.984 124.562 120.400 0.295 0.000 2.230 326 K HA 0.257 4.577 4.320 -0.000 0.000 0.253 326 K C -2.308 174.467 176.600 0.292 0.000 1.008 326 K CA -1.391 55.053 56.287 0.261 0.000 0.910 326 K CB 0.049 32.704 32.500 0.257 0.000 0.994 326 K HN 0.383 nan 8.250 nan 0.000 0.495 327 P HA -0.077 nan 4.420 nan 0.000 0.265 327 P C -0.294 177.181 177.300 0.293 0.000 1.187 327 P CA -0.234 63.016 63.100 0.251 0.000 0.766 327 P CB 0.290 32.121 31.700 0.218 0.000 0.820 328 L N 4.309 125.712 121.223 0.300 0.000 2.416 328 L HA 0.245 4.585 4.340 -0.000 0.000 0.272 328 L C -0.431 176.569 176.870 0.217 0.000 1.161 328 L CA 0.307 55.343 54.840 0.327 0.000 0.845 328 L CB -0.220 42.062 42.059 0.371 0.000 1.119 328 L HN 0.216 nan 8.230 nan 0.000 0.464 329 I N 3.797 124.477 120.570 0.183 0.000 2.493 329 I HA 0.472 4.642 4.170 -0.000 0.000 0.298 329 I C 0.069 176.237 176.117 0.085 0.000 0.998 329 I CA -0.261 61.075 61.300 0.061 0.000 1.137 329 I CB 1.978 39.962 38.000 -0.027 0.000 1.310 329 I HN 0.588 nan 8.210 nan 0.000 0.445 330 T N 4.661 119.256 114.554 0.069 0.000 2.909 330 T HA 0.617 4.967 4.350 -0.000 0.000 0.299 330 T C -1.282 173.425 174.700 0.012 0.000 1.073 330 T CA -0.463 61.701 62.100 0.107 0.000 0.999 330 T CB 1.503 70.580 68.868 0.349 0.000 1.098 330 T HN 0.209 nan 8.240 nan 0.000 0.477 331 V N 7.102 126.952 119.914 -0.107 0.000 2.328 331 V HA 0.457 4.577 4.120 -0.000 0.000 0.278 331 V C -2.030 174.051 176.094 -0.021 0.000 1.021 331 V CA -1.768 60.412 62.300 -0.201 0.000 0.838 331 V CB 1.128 32.577 31.823 -0.623 0.000 0.999 331 V HN 0.725 nan 8.190 nan 0.000 0.447 332 P HA 0.202 nan 4.420 nan 0.000 0.274 332 P C 0.892 178.199 177.300 0.012 0.000 1.256 332 P CA -0.136 62.906 63.100 -0.095 0.000 0.795 332 P CB 0.758 32.287 31.700 -0.284 0.000 1.038 333 T N -0.998 113.464 114.554 -0.153 0.000 2.788 333 T HA -0.114 4.235 4.350 -0.000 0.000 0.268 333 T C 0.428 174.927 174.700 -0.336 0.000 1.044 333 T CA 1.476 63.395 62.100 -0.301 0.000 1.139 333 T CB -0.374 68.122 68.868 -0.620 0.000 0.867 333 T HN 0.505 nan 8.240 nan 0.000 0.454 334 E N 1.074 121.015 120.200 -0.431 0.000 2.081 334 E HA 0.259 4.609 4.350 -0.000 0.000 0.281 334 E C -0.504 176.039 176.600 -0.095 0.000 0.986 334 E CA -0.411 55.807 56.400 -0.304 0.000 0.796 334 E CB 0.622 30.223 29.700 -0.167 0.000 1.085 334 E HN 0.646 nan 8.360 nan 0.000 0.398 335 Y N 0.912 121.174 120.300 -0.063 0.000 2.626 335 Y HA 0.258 4.808 4.550 -0.000 0.000 0.248 335 Y C -0.247 175.708 175.900 0.091 0.000 1.147 335 Y CA -0.890 57.206 58.100 -0.006 0.000 1.219 335 Y CB 0.343 38.704 38.460 -0.165 0.000 1.279 335 Y HN 0.225 nan 8.280 nan 0.000 0.541 336 D N -0.796 119.582 120.400 -0.038 0.000 2.490 336 D HA 0.187 4.826 4.640 -0.000 0.000 0.232 336 D C -0.027 176.372 176.300 0.165 0.000 1.053 336 D CA -0.488 53.592 54.000 0.133 0.000 0.914 336 D CB 2.346 43.133 40.800 -0.021 0.000 1.431 336 D HN -0.036 nan 8.370 nan 0.000 0.483 337 T N 0.955 115.679 114.554 0.282 0.000 2.720 337 T HA -0.086 4.264 4.350 -0.000 0.000 0.268 337 T C 1.908 176.655 174.700 0.078 0.000 1.037 337 T CA 1.704 63.923 62.100 0.198 0.000 1.144 337 T CB -0.619 68.392 68.868 0.238 0.000 0.864 337 T HN 0.710 nan 8.240 nan 0.000 0.444 338 G N 1.269 110.096 108.800 0.045 0.000 2.476 338 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.218 338 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.218 338 G C 1.791 176.665 174.900 -0.045 0.000 1.164 338 G CA 0.945 46.042 45.100 -0.004 0.000 0.768 338 G HN 0.617 nan 8.290 nan 0.000 0.560 339 A N -0.200 122.564 122.820 -0.093 0.000 2.014 339 A HA 0.271 4.590 4.320 -0.000 0.000 0.218 339 A C 2.387 179.923 177.584 -0.080 0.000 1.163 339 A CA 1.447 53.398 52.037 -0.142 0.000 0.652 339 A CB -0.190 18.637 19.000 -0.288 0.000 0.808 339 A HN 0.406 nan 8.150 nan 0.000 0.449 340 M N -1.007 118.582 119.600 -0.019 0.000 2.357 340 M HA 0.097 4.576 4.480 -0.000 0.000 0.266 340 M C 0.586 176.902 176.300 0.027 0.000 1.095 340 M CA 0.829 56.149 55.300 0.035 0.000 1.156 340 M CB 0.545 33.200 32.600 0.092 0.000 1.365 340 M HN 0.328 nan 8.290 nan 0.000 0.447 341 V N -2.510 117.413 119.914 0.014 0.000 3.007 341 V HA 0.756 4.876 4.120 -0.000 0.000 0.311 341 V C -1.239 174.853 176.094 -0.002 0.000 1.120 341 V CA -0.620 61.683 62.300 0.005 0.000 0.980 341 V CB 2.138 33.964 31.823 0.006 0.000 1.033 341 V HN -0.008 nan 8.190 nan 0.000 0.429 342 S N 3.291 118.987 115.700 -0.007 0.000 2.677 342 S HA 0.519 4.988 4.470 -0.000 0.000 0.283 342 S C -0.042 174.552 174.600 -0.009 0.000 1.159 342 S CA 0.075 58.269 58.200 -0.009 0.000 1.001 342 S CB 0.319 63.511 63.200 -0.013 0.000 1.032 342 S HN 1.319 nan 8.310 nan 0.000 0.487 343 N N 3.208 121.905 118.700 -0.006 0.000 2.740 343 N HA -0.217 4.523 4.740 -0.000 0.000 0.248 343 N C 0.764 176.269 175.510 -0.008 0.000 1.062 343 N CA 0.696 53.742 53.050 -0.006 0.000 0.704 343 N CB -1.174 37.308 38.487 -0.008 0.000 0.968 343 N HN 1.353 nan 8.380 nan 0.000 0.547 344 G N -1.529 107.267 108.800 -0.007 0.000 2.225 344 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.254 344 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.254 344 G C -0.157 174.731 174.900 -0.020 0.000 0.988 344 G CA 0.470 45.563 45.100 -0.011 0.000 0.625 344 G HN 0.375 nan 8.290 nan 0.000 0.527 345 Q N 1.039 120.826 119.800 -0.021 0.000 2.266 345 Q HA 0.470 4.810 4.340 -0.000 0.000 0.261 345 Q C -2.508 173.475 176.000 -0.028 0.000 0.985 345 Q CA -2.061 53.724 55.803 -0.029 0.000 0.873 345 Q CB 2.129 30.849 28.738 -0.029 0.000 1.306 345 Q HN 0.284 nan 8.270 nan 0.000 0.447 346 P HA -0.029 nan 4.420 nan 0.000 0.264 346 P C -0.225 177.061 177.300 -0.023 0.000 1.183 346 P CA 0.364 63.442 63.100 -0.036 0.000 0.763 346 P CB 0.694 32.351 31.700 -0.072 0.000 0.807 347 R N 2.017 122.516 120.500 -0.002 0.000 2.774 347 R HA 0.224 4.564 4.340 -0.000 0.000 0.269 347 R C 1.881 178.189 176.300 0.012 0.000 1.068 347 R CA 0.010 56.114 56.100 0.006 0.000 1.180 347 R CB -0.047 30.263 30.300 0.017 0.000 1.077 347 R HN 0.481 nan 8.270 nan 0.000 0.513 348 A N 1.411 124.238 122.820 0.011 0.000 1.917 348 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 348 A C 1.998 179.588 177.584 0.009 0.000 1.182 348 A CA 1.675 53.710 52.037 -0.004 0.000 0.633 348 A CB -0.807 18.188 19.000 -0.008 0.000 0.819 348 A HN 0.880 nan 8.150 nan 0.000 0.448 349 Y N 0.878 121.146 120.300 -0.052 0.000 2.114 349 Y HA -0.203 4.346 4.550 -0.000 0.000 0.284 349 Y C 2.717 178.618 175.900 0.001 0.000 1.143 349 Y CA 2.542 60.615 58.100 -0.045 0.000 1.135 349 Y CB -0.647 37.777 38.460 -0.060 0.000 0.980 349 Y HN 0.293 nan 8.280 nan 0.000 0.499 350 T N 1.112 115.791 114.554 0.208 0.000 2.788 350 T HA -0.215 4.134 4.350 -0.000 0.000 0.268 350 T C 1.891 176.538 174.700 -0.088 0.000 1.044 350 T CA 1.649 63.823 62.100 0.123 0.000 1.139 350 T CB -0.350 68.601 68.868 0.138 0.000 0.867 350 T HN 0.367 nan 8.240 nan 0.000 0.454 351 R N 0.721 121.164 120.500 -0.094 0.000 2.070 351 R HA -0.041 4.299 4.340 -0.000 0.000 0.233 351 R C 2.364 178.565 176.300 -0.165 0.000 1.137 351 R CA 1.554 57.570 56.100 -0.139 0.000 0.945 351 R CB -0.453 29.789 30.300 -0.098 0.000 0.845 351 R HN 0.370 nan 8.270 nan 0.000 0.430 352 I N 0.150 120.622 120.570 -0.162 0.000 2.226 352 I HA -0.253 3.916 4.170 -0.000 0.000 0.245 352 I C 2.240 178.229 176.117 -0.212 0.000 1.100 352 I CA 1.123 62.309 61.300 -0.190 0.000 1.374 352 I CB -0.380 37.495 38.000 -0.207 0.000 1.057 352 I HN 0.182 nan 8.210 nan 0.000 0.413 353 F N 1.818 121.520 119.950 -0.414 0.000 2.069 353 F HA -0.286 4.241 4.527 -0.000 0.000 0.298 353 F C 2.550 178.241 175.800 -0.181 0.000 1.113 353 F CA 1.709 59.505 58.000 -0.341 0.000 1.214 353 F CB -0.415 38.352 39.000 -0.389 0.000 0.978 353 F HN 0.011 nan 8.300 nan 0.000 0.474 354 A N -0.241 122.456 122.820 -0.204 0.000 1.908 354 A HA -0.271 4.048 4.320 -0.000 0.000 0.218 354 A C 2.234 179.666 177.584 -0.253 0.000 1.181 354 A CA 1.861 53.643 52.037 -0.425 0.000 0.627 354 A CB -1.079 17.393 19.000 -0.881 0.000 0.818 354 A HN 0.615 nan 8.150 nan 0.000 0.445 355 E N -0.710 119.355 120.200 -0.225 0.000 2.110 355 E HA -0.161 4.188 4.350 -0.000 0.000 0.193 355 E C 1.685 178.187 176.600 -0.163 0.000 0.988 355 E CA 1.702 58.001 56.400 -0.168 0.000 0.804 355 E CB -0.128 29.483 29.700 -0.150 0.000 0.745 355 E HN 0.553 nan 8.360 nan 0.000 0.458 356 T N 1.139 115.562 114.554 -0.218 0.000 2.983 356 T HA 0.034 4.384 4.350 -0.000 0.000 0.250 356 T C 0.752 175.316 174.700 -0.227 0.000 1.037 356 T CA 0.638 62.607 62.100 -0.219 0.000 1.142 356 T CB -0.051 68.665 68.868 -0.254 0.000 0.876 356 T HN 0.193 nan 8.240 nan 0.000 0.455 357 V N 2.384 122.095 119.914 -0.338 0.000 2.617 357 V HA 0.193 4.313 4.120 -0.000 0.000 0.304 357 V C 0.029 176.070 176.094 -0.089 0.000 1.040 357 V CA -1.343 60.800 62.300 -0.262 0.000 1.149 357 V CB -0.309 31.307 31.823 -0.346 0.000 0.914 357 V HN 0.228 nan 8.190 nan 0.000 0.487 358 D N 5.524 125.906 120.400 -0.030 0.000 2.525 358 D HA 0.115 4.755 4.640 -0.000 0.000 0.235 358 D C -1.532 174.795 176.300 0.044 0.000 1.137 358 D CA -0.728 53.282 54.000 0.017 0.000 0.868 358 D CB 1.211 42.041 40.800 0.051 0.000 1.180 358 D HN 0.477 nan 8.370 nan 0.000 0.465 359 P HA -0.088 nan 4.420 nan 0.000 0.228 359 P C 0.581 177.930 177.300 0.082 0.000 1.151 359 P CA 0.764 63.903 63.100 0.066 0.000 0.770 359 P CB 0.103 31.834 31.700 0.052 0.000 0.786 360 S N -1.936 113.816 115.700 0.086 0.000 2.593 360 S HA 0.115 4.585 4.470 -0.000 0.000 0.217 360 S C 0.641 175.316 174.600 0.125 0.000 0.966 360 S CA -0.191 58.070 58.200 0.103 0.000 0.914 360 S CB -0.787 62.473 63.200 0.100 0.000 0.776 360 S HN 0.018 nan 8.310 nan 0.000 0.523 361 I N 2.184 122.827 120.570 0.121 0.000 2.331 361 I HA 0.349 4.518 4.170 -0.000 0.000 0.292 361 I C 0.107 176.287 176.117 0.105 0.000 0.998 361 I CA -0.649 60.732 61.300 0.136 0.000 1.267 361 I CB 1.341 39.430 38.000 0.148 0.000 1.386 361 I HN 0.072 nan 8.210 nan 0.000 0.476 362 E N 5.295 125.543 120.200 0.080 0.000 2.290 362 E HA 0.253 4.603 4.350 -0.000 0.000 0.277 362 E C -1.192 175.386 176.600 -0.035 0.000 1.035 362 E CA -0.071 56.323 56.400 -0.010 0.000 0.873 362 E CB 0.873 30.495 29.700 -0.131 0.000 1.029 362 E HN 0.278 nan 8.360 nan 0.000 0.419 363 V N 6.260 126.141 119.914 -0.056 0.000 2.409 363 V HA 0.336 4.456 4.120 -0.000 0.000 0.291 363 V C 0.028 176.089 176.094 -0.055 0.000 1.020 363 V CA -0.639 61.615 62.300 -0.076 0.000 0.848 363 V CB 1.348 33.004 31.823 -0.277 0.000 0.990 363 V HN 0.727 nan 8.190 nan 0.000 0.430 364 M N 4.999 124.597 119.600 -0.003 0.000 2.277 364 M HA 0.551 5.030 4.480 -0.000 0.000 0.350 364 M C -0.624 175.838 176.300 0.269 0.000 1.180 364 M CA -0.132 55.241 55.300 0.123 0.000 1.103 364 M CB 1.433 34.075 32.600 0.071 0.000 1.577 364 M HN 0.900 nan 8.290 nan 0.000 0.459 365 W N 1.594 122.930 121.300 0.061 0.000 3.062 365 W HA 0.563 5.222 4.660 -0.000 0.000 0.336 365 W C -0.112 176.524 176.519 0.194 0.000 1.224 365 W CA -0.664 56.744 57.345 0.106 0.000 1.159 365 W CB 0.980 30.494 29.460 0.090 0.000 1.454 365 W HN 0.693 nan 8.180 nan 0.000 0.569 366 T N 0.029 114.429 114.554 -0.258 0.000 3.069 366 T HA 0.531 4.881 4.350 -0.000 0.000 0.252 366 T C 0.748 175.236 174.700 -0.353 0.000 1.053 366 T CA 0.604 62.575 62.100 -0.214 0.000 0.964 366 T CB -0.277 68.564 68.868 -0.045 0.000 1.005 366 T HN 1.933 nan 8.240 nan 0.000 0.532 367 G N 1.928 110.158 108.800 -0.950 0.000 2.396 367 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.254 367 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.254 367 G C -2.548 172.418 174.900 0.109 0.000 1.248 367 G CA -0.348 44.537 45.100 -0.359 0.000 1.033 367 G HN 0.018 nan 8.290 nan 0.000 0.502 368 P HA 0.206 nan 4.420 nan 0.000 0.222 368 P C 1.020 178.394 177.300 0.122 0.000 1.147 368 P CA 2.274 65.491 63.100 0.194 0.000 0.790 368 P CB 0.050 31.846 31.700 0.161 0.000 0.780 369 G N -2.618 106.236 108.800 0.089 0.000 2.682 369 G HA2 0.327 4.287 3.960 -0.000 0.000 0.290 369 G HA3 0.327 4.287 3.960 -0.000 0.000 0.290 369 G C 0.504 175.425 174.900 0.035 0.000 1.425 369 G CA -0.466 44.666 45.100 0.053 0.000 0.807 369 G HN -0.229 nan 8.290 nan 0.000 0.482 370 V N -0.624 119.321 119.914 0.050 0.000 2.295 370 V HA -0.011 4.108 4.120 -0.000 0.000 0.246 370 V C 0.938 177.048 176.094 0.026 0.000 1.049 370 V CA 1.284 63.629 62.300 0.075 0.000 1.024 370 V CB -0.396 31.495 31.823 0.113 0.000 0.648 370 V HN 0.383 nan 8.190 nan 0.000 0.447 371 V N -0.089 119.830 119.914 0.008 0.000 2.409 371 V HA 0.606 4.726 4.120 -0.000 0.000 0.290 371 V C -0.409 175.577 176.094 -0.179 0.000 1.017 371 V CA -0.088 62.084 62.300 -0.213 0.000 0.841 371 V CB 1.408 32.933 31.823 -0.497 0.000 1.003 371 V HN 0.413 nan 8.190 nan 0.000 0.426 372 T N 2.595 117.043 114.554 -0.176 0.000 2.894 372 T HA 0.331 4.681 4.350 -0.000 0.000 0.309 372 T C 0.749 175.479 174.700 0.049 0.000 1.208 372 T CA -0.489 61.591 62.100 -0.032 0.000 1.016 372 T CB 1.811 70.713 68.868 0.057 0.000 1.192 372 T HN 0.507 nan 8.240 nan 0.000 0.491 373 N N 1.563 120.315 118.700 0.086 0.000 2.069 373 N HA 0.000 4.740 4.740 -0.000 0.000 0.191 373 N C 0.172 175.829 175.510 0.246 0.000 1.031 373 N CA 1.376 54.505 53.050 0.132 0.000 0.852 373 N CB 0.059 38.596 38.487 0.082 0.000 1.018 373 N HN 0.690 nan 8.380 nan 0.000 0.423 374 E N -0.861 119.485 120.200 0.243 0.000 2.408 374 E HA 0.447 4.797 4.350 -0.000 0.000 0.275 374 E C -0.794 175.902 176.600 0.160 0.000 0.935 374 E CA -0.533 55.961 56.400 0.156 0.000 0.775 374 E CB 2.416 32.147 29.700 0.050 0.000 1.277 374 E HN -0.061 nan 8.360 nan 0.000 0.455 375 I N 2.819 123.374 120.570 -0.025 0.000 2.388 375 I HA 0.280 4.450 4.170 -0.000 0.000 0.281 375 I C -2.390 173.754 176.117 0.046 0.000 1.046 375 I CA -2.085 59.233 61.300 0.030 0.000 1.187 375 I CB 0.698 38.674 38.000 -0.040 0.000 1.351 375 I HN 0.096 nan 8.210 nan 0.000 0.472 376 P HA 0.090 nan 4.420 nan 0.000 0.274 376 P C 0.690 178.067 177.300 0.129 0.000 1.246 376 P CA -0.549 62.602 63.100 0.085 0.000 0.795 376 P CB 1.143 32.890 31.700 0.078 0.000 1.006 377 L N 2.213 123.512 121.223 0.127 0.000 2.042 377 L HA -0.212 4.127 4.340 -0.000 0.000 0.210 377 L C 2.196 179.146 176.870 0.133 0.000 1.076 377 L CA 2.523 57.470 54.840 0.178 0.000 0.749 377 L CB -1.515 40.651 42.059 0.179 0.000 0.893 377 L HN 0.447 nan 8.230 nan 0.000 0.432 378 S N -1.787 113.966 115.700 0.087 0.000 2.400 378 S HA -0.246 4.224 4.470 -0.000 0.000 0.232 378 S C 1.808 176.419 174.600 0.019 0.000 1.025 378 S CA 1.315 59.535 58.200 0.033 0.000 0.993 378 S CB -0.818 62.407 63.200 0.041 0.000 0.808 378 S HN 0.624 nan 8.310 nan 0.000 0.478 379 D N 2.083 122.542 120.400 0.098 0.000 2.097 379 D HA 0.060 4.699 4.640 -0.000 0.000 0.197 379 D C 2.131 178.515 176.300 0.140 0.000 0.984 379 D CA 1.373 55.471 54.000 0.163 0.000 0.826 379 D CB -0.558 40.415 40.800 0.287 0.000 0.973 379 D HN 0.459 nan 8.370 nan 0.000 0.460 380 A N 0.176 123.124 122.820 0.212 0.000 1.933 380 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 380 A C 2.164 179.522 177.584 -0.377 0.000 1.175 380 A CA 1.853 53.950 52.037 0.101 0.000 0.628 380 A CB -0.891 18.342 19.000 0.388 0.000 0.814 380 A HN 0.429 nan 8.150 nan 0.000 0.444 381 Q N -0.779 118.666 119.800 -0.591 0.000 2.061 381 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 381 Q C 2.015 177.727 176.000 -0.479 0.000 0.984 381 Q CA 1.916 57.137 55.803 -0.970 0.000 0.846 381 Q CB -0.298 28.104 28.738 -0.559 0.000 0.902 381 Q HN 0.550 nan 8.270 nan 0.000 0.421 382 L N 0.686 121.751 121.223 -0.263 0.000 1.970 382 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 382 L C 2.185 178.941 176.870 -0.190 0.000 1.071 382 L CA 1.722 56.462 54.840 -0.168 0.000 0.751 382 L CB -0.641 41.367 42.059 -0.085 0.000 0.889 382 L HN 0.342 nan 8.230 nan 0.000 0.432 383 I N -0.840 119.568 120.570 -0.271 0.000 2.226 383 I HA -0.240 3.929 4.170 -0.000 0.000 0.245 383 I C 2.758 178.750 176.117 -0.209 0.000 1.100 383 I CA 1.712 62.816 61.300 -0.328 0.000 1.374 383 I CB -1.772 35.726 38.000 -0.837 0.000 1.057 383 I HN 0.431 nan 8.210 nan 0.000 0.413 384 S N 1.030 116.570 115.700 -0.267 0.000 2.368 384 S HA -0.120 4.349 4.470 -0.000 0.000 0.225 384 S C 2.186 176.765 174.600 -0.034 0.000 1.030 384 S CA 1.597 59.731 58.200 -0.109 0.000 0.999 384 S CB -0.615 62.532 63.200 -0.089 0.000 0.844 384 S HN 0.523 nan 8.310 nan 0.000 0.459 385 G N 1.271 110.013 108.800 -0.097 0.000 2.422 385 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.218 385 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.218 385 G C 1.430 176.301 174.900 -0.048 0.000 1.146 385 G CA 0.873 45.940 45.100 -0.055 0.000 0.769 385 G HN 0.569 nan 8.290 nan 0.000 0.547 386 I N -1.082 119.446 120.570 -0.071 0.000 2.202 386 I HA -0.119 4.051 4.170 -0.000 0.000 0.242 386 I C 2.167 178.166 176.117 -0.197 0.000 1.091 386 I CA 1.031 62.252 61.300 -0.131 0.000 1.368 386 I CB -0.091 37.828 38.000 -0.135 0.000 1.058 386 I HN 0.148 nan 8.210 nan 0.000 0.410 387 Y N 0.068 120.333 120.300 -0.058 0.000 2.482 387 Y HA 0.045 4.595 4.550 -0.000 0.000 0.270 387 Y C 0.931 176.823 175.900 -0.013 0.000 1.152 387 Y CA 0.044 58.130 58.100 -0.023 0.000 1.292 387 Y CB -0.114 38.337 38.460 -0.014 0.000 1.070 387 Y HN 0.230 nan 8.280 nan 0.000 0.528 388 N N 1.444 120.198 118.700 0.090 0.000 2.725 388 N HA -0.253 4.486 4.740 -0.000 0.000 0.251 388 N C -0.612 174.955 175.510 0.096 0.000 1.031 388 N CA 1.109 54.200 53.050 0.068 0.000 0.720 388 N CB -0.637 37.868 38.487 0.031 0.000 0.930 388 N HN 0.637 nan 8.380 nan 0.000 0.543 389 R N -1.968 118.603 120.500 0.119 0.000 2.728 389 R HA 0.374 4.714 4.340 -0.000 0.000 0.274 389 R C -1.426 174.952 176.300 0.130 0.000 1.032 389 R CA -1.016 55.156 56.100 0.120 0.000 0.866 389 R CB 0.217 30.591 30.300 0.123 0.000 1.263 389 R HN -0.065 nan 8.270 nan 0.000 0.475 390 N N 1.582 120.362 118.700 0.134 0.000 2.475 390 N HA 0.126 4.866 4.740 -0.000 0.000 0.267 390 N C -0.204 175.398 175.510 0.153 0.000 1.169 390 N CA 0.199 53.345 53.050 0.159 0.000 0.947 390 N CB 0.525 39.103 38.487 0.152 0.000 1.061 390 N HN 0.399 nan 8.380 nan 0.000 0.466 391 M N 1.054 120.757 119.600 0.172 0.000 2.267 391 M HA 0.421 4.901 4.480 -0.000 0.000 0.303 391 M C 0.401 176.893 176.300 0.319 0.000 1.164 391 M CA -0.877 54.524 55.300 0.169 0.000 1.060 391 M CB 0.541 33.159 32.600 0.029 0.000 1.455 391 M HN 0.417 nan 8.290 nan 0.000 0.483 392 A N 1.395 124.400 122.820 0.309 0.000 2.330 392 A HA 0.651 4.971 4.320 -0.000 0.000 0.327 392 A C -0.627 177.232 177.584 0.458 0.000 1.155 392 A CA -0.761 51.477 52.037 0.336 0.000 0.803 392 A CB 1.060 20.005 19.000 -0.092 0.000 1.208 392 A HN 0.746 nan 8.150 nan 0.000 0.477 393 V N 2.550 122.722 119.914 0.430 0.000 2.472 393 V HA 0.688 4.808 4.120 -0.000 0.000 0.290 393 V C -0.848 175.361 176.094 0.191 0.000 1.037 393 V CA -0.779 61.662 62.300 0.235 0.000 0.908 393 V CB 1.364 33.245 31.823 0.097 0.000 0.985 393 V HN 0.936 nan 8.190 nan 0.000 0.454 394 W N 8.503 129.777 121.300 -0.043 0.000 2.298 394 W HA 0.373 5.032 4.660 -0.000 0.000 0.327 394 W C -0.923 175.600 176.519 0.007 0.000 0.988 394 W CA -1.889 55.422 57.345 -0.057 0.000 1.448 394 W CB 1.149 30.547 29.460 -0.103 0.000 1.243 394 W HN 0.899 nan 8.180 nan 0.000 0.388 395 W N 8.435 129.716 121.300 -0.030 0.000 2.332 395 W HA 0.177 4.836 4.660 -0.001 0.000 0.306 395 W C -0.129 176.481 176.519 0.151 0.000 1.149 395 W CA -0.458 56.901 57.345 0.024 0.000 1.271 395 W CB 0.827 30.230 29.460 -0.094 0.000 1.243 395 W HN 0.241 nan 8.180 nan 0.000 0.459 396 N N 6.404 124.978 118.700 -0.209 0.000 3.254 396 N HA 0.007 4.747 4.740 -0.000 0.000 0.308 396 N C -1.556 173.822 175.510 -0.219 0.000 1.281 396 N CA 0.431 53.423 53.050 -0.096 0.000 1.212 396 N CB -0.337 38.164 38.487 0.025 0.000 1.478 396 N HN 0.433 nan 8.380 nan 0.000 0.548 397 Y N 0.268 120.370 120.300 -0.330 0.000 2.474 397 Y HA 0.261 4.811 4.550 -0.000 0.000 0.326 397 Y C -2.301 173.648 175.900 0.082 0.000 1.160 397 Y CA -1.415 56.611 58.100 -0.123 0.000 1.056 397 Y CB 2.287 40.634 38.460 -0.188 0.000 1.330 397 Y HN 0.054 nan 8.280 nan 0.000 0.447 398 P HA 0.010 nan 4.420 nan 0.000 0.257 398 P C 0.203 177.329 177.300 -0.291 0.000 1.325 398 P CA 0.362 63.138 63.100 -0.539 0.000 0.850 398 P CB 0.281 31.811 31.700 -0.284 0.000 1.324 399 V N 2.408 122.281 119.914 -0.068 0.000 2.726 399 V HA -0.079 4.040 4.120 -0.000 0.000 0.304 399 V C 1.169 177.232 176.094 -0.052 0.000 1.115 399 V CA 2.029 64.342 62.300 0.022 0.000 1.264 399 V CB 0.045 31.983 31.823 0.192 0.000 0.867 399 V HN 0.417 nan 8.190 nan 0.000 0.498 400 T N 0.694 115.173 114.554 -0.124 0.000 3.288 400 T HA 0.183 4.533 4.350 -0.000 0.000 0.293 400 T C 0.763 175.302 174.700 -0.269 0.000 1.008 400 T CA 0.244 62.145 62.100 -0.332 0.000 0.929 400 T CB -0.066 68.678 68.868 -0.206 0.000 1.152 400 T HN 0.837 nan 8.240 nan 0.000 0.517 401 D N 1.657 122.047 120.400 -0.018 0.000 2.310 401 D HA -0.174 4.466 4.640 -0.000 0.000 0.212 401 D C 1.367 177.758 176.300 0.151 0.000 0.965 401 D CA 0.767 54.847 54.000 0.134 0.000 0.879 401 D CB -0.674 40.323 40.800 0.328 0.000 0.921 401 D HN 0.765 nan 8.370 nan 0.000 0.510 402 Y N -2.851 117.540 120.300 0.152 0.000 2.462 402 Y HA 0.413 4.963 4.550 -0.000 0.000 0.261 402 Y C -0.003 176.007 175.900 0.182 0.000 1.146 402 Y CA -1.128 57.058 58.100 0.143 0.000 1.283 402 Y CB -0.010 38.486 38.460 0.060 0.000 1.090 402 Y HN -0.101 nan 8.280 nan 0.000 0.526 403 F N 1.584 121.264 119.950 -0.450 0.000 2.883 403 F HA 0.394 4.920 4.527 -0.000 0.000 0.383 403 F C 0.431 176.050 175.800 -0.302 0.000 1.342 403 F CA -1.552 56.250 58.000 -0.330 0.000 1.150 403 F CB 0.390 39.157 39.000 -0.387 0.000 2.189 403 F HN -0.173 nan 8.300 nan 0.000 0.593 404 K N 0.447 120.684 120.400 -0.272 0.000 2.362 404 K HA -0.007 4.313 4.320 -0.000 0.000 0.200 404 K C 2.094 178.495 176.600 -0.331 0.000 1.046 404 K CA 1.014 57.212 56.287 -0.149 0.000 0.952 404 K CB -0.001 32.569 32.500 0.117 0.000 0.753 404 K HN 0.652 nan 8.250 nan 0.000 0.466 405 G N 1.686 109.970 108.800 -0.859 0.000 2.432 405 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.219 405 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.219 405 G C 0.504 175.050 174.900 -0.589 0.000 1.135 405 G CA 0.324 44.729 45.100 -1.157 0.000 0.767 405 G HN 0.168 nan 8.290 nan 0.000 0.550 406 K N 0.074 120.199 120.400 -0.460 0.000 2.159 406 K HA 0.544 4.863 4.320 -0.000 0.000 0.266 406 K C -0.557 175.974 176.600 -0.115 0.000 0.975 406 K CA -0.682 55.490 56.287 -0.192 0.000 0.865 406 K CB 0.889 33.387 32.500 -0.003 0.000 1.087 406 K HN -0.007 nan 8.250 nan 0.000 0.446 407 L N 3.111 124.282 121.223 -0.088 0.000 2.305 407 L HA 0.382 4.721 4.340 -0.000 0.000 0.281 407 L C 0.017 176.837 176.870 -0.083 0.000 1.085 407 L CA -0.699 54.097 54.840 -0.073 0.000 0.813 407 L CB 1.561 43.583 42.059 -0.061 0.000 1.157 407 L HN 0.686 nan 8.230 nan 0.000 0.436 408 A N 5.547 128.296 122.820 -0.118 0.000 2.478 408 A HA 0.552 4.872 4.320 -0.000 0.000 0.327 408 A C 0.322 177.861 177.584 -0.076 0.000 1.431 408 A CA -0.336 51.583 52.037 -0.196 0.000 1.014 408 A CB -0.218 18.436 19.000 -0.576 0.000 1.143 408 A HN 0.830 nan 8.150 nan 0.000 0.532 409 L N 2.954 124.216 121.223 0.065 0.000 3.066 409 L HA 0.300 4.639 4.340 -0.000 0.000 0.265 409 L C 1.150 178.260 176.870 0.401 0.000 1.232 409 L CA -0.232 54.723 54.840 0.191 0.000 1.031 409 L CB 0.363 42.488 42.059 0.110 0.000 1.379 409 L HN 0.715 nan 8.230 nan 0.000 0.563 410 G N 0.418 109.458 108.800 0.399 0.000 2.531 410 G HA2 0.566 4.525 3.960 -0.000 0.000 0.313 410 G HA3 0.566 4.525 3.960 -0.000 0.000 0.313 410 G C -2.719 172.474 174.900 0.489 0.000 1.238 410 G CA -1.085 44.201 45.100 0.309 0.000 0.994 410 G HN -0.173 nan 8.290 nan 0.000 0.493 411 P HA 0.222 nan 4.420 nan 0.000 0.278 411 P C -0.020 177.453 177.300 0.288 0.000 1.266 411 P CA -0.647 62.720 63.100 0.445 0.000 0.807 411 P CB 0.747 32.745 31.700 0.497 0.000 1.094 412 M N 1.324 121.120 119.600 0.327 0.000 2.286 412 M HA -0.029 4.450 4.480 -0.000 0.000 0.365 412 M C 0.362 176.708 176.300 0.076 0.000 1.443 412 M CA 1.277 56.635 55.300 0.097 0.000 0.951 412 M CB -1.837 30.617 32.600 -0.244 0.000 1.961 412 M HN 0.586 nan 8.290 nan 0.000 0.468 413 H N 0.125 119.085 119.070 -0.183 0.000 3.026 413 H HA 0.485 5.041 4.556 -0.000 0.000 0.352 413 H C 0.586 175.801 175.328 -0.188 0.000 1.090 413 H CA 0.754 56.650 56.048 -0.253 0.000 1.268 413 H CB 1.192 30.705 29.762 -0.416 0.000 1.816 413 H HN 0.791 nan 8.280 nan 0.000 0.518 414 G N 3.361 111.759 108.800 -0.669 0.000 2.176 414 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.253 414 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.253 414 G C -0.240 174.473 174.900 -0.312 0.000 0.979 414 G CA 0.163 45.022 45.100 -0.403 0.000 0.641 414 G HN 0.604 nan 8.290 nan 0.000 0.530 415 L N 1.930 122.880 121.223 -0.456 0.000 2.278 415 L HA 0.313 4.653 4.340 -0.000 0.000 0.287 415 L C 0.609 177.355 176.870 -0.207 0.000 1.072 415 L CA -0.742 53.788 54.840 -0.516 0.000 0.819 415 L CB 0.909 42.362 42.059 -1.010 0.000 1.176 415 L HN 0.177 nan 8.230 nan 0.000 0.435 416 D N 3.245 123.610 120.400 -0.057 0.000 2.525 416 D HA -0.083 4.557 4.640 -0.000 0.000 0.235 416 D C 0.668 177.052 176.300 0.140 0.000 1.137 416 D CA 0.400 54.431 54.000 0.052 0.000 0.868 416 D CB 1.025 41.873 40.800 0.080 0.000 1.180 416 D HN 0.489 nan 8.370 nan 0.000 0.465 417 K N 1.641 122.126 120.400 0.140 0.000 2.525 417 K HA 0.046 4.366 4.320 -0.000 0.000 0.192 417 K C 1.370 177.992 176.600 0.036 0.000 1.029 417 K CA 0.277 56.647 56.287 0.137 0.000 1.029 417 K CB 0.419 33.008 32.500 0.148 0.000 0.814 417 K HN 0.407 nan 8.250 nan 0.000 0.503 418 G N 0.155 108.982 108.800 0.047 0.000 3.707 418 G HA2 0.026 3.986 3.960 -0.000 0.000 0.286 418 G HA3 0.026 3.986 3.960 -0.000 0.000 0.286 418 G C 0.724 175.644 174.900 0.033 0.000 1.112 418 G CA -0.265 44.845 45.100 0.017 0.000 0.861 418 G HN 0.055 nan 8.290 nan 0.000 0.534 419 L N 1.344 122.601 121.223 0.057 0.000 2.201 419 L HA 0.001 4.341 4.340 -0.000 0.000 0.212 419 L C 2.559 179.484 176.870 0.091 0.000 1.105 419 L CA 1.742 56.661 54.840 0.132 0.000 0.775 419 L CB -0.382 41.768 42.059 0.152 0.000 0.913 419 L HN 0.575 nan 8.230 nan 0.000 0.440 420 N N -1.935 116.750 118.700 -0.024 0.000 2.443 420 N HA -0.243 4.497 4.740 -0.000 0.000 0.184 420 N C 1.613 177.086 175.510 -0.061 0.000 1.037 420 N CA 0.750 53.776 53.050 -0.041 0.000 0.896 420 N CB -0.309 38.112 38.487 -0.109 0.000 0.959 420 N HN 0.433 nan 8.380 nan 0.000 0.442 421 Q N -0.709 119.002 119.800 -0.149 0.000 2.197 421 Q HA -0.156 4.183 4.340 -0.000 0.000 0.207 421 Q C 0.610 176.365 176.000 -0.409 0.000 0.984 421 Q CA 1.642 57.223 55.803 -0.370 0.000 0.869 421 Q CB -0.116 28.226 28.738 -0.660 0.000 0.906 421 Q HN 0.703 nan 8.270 nan 0.000 0.426 422 Y N -1.980 118.367 120.300 0.079 0.000 2.527 422 Y HA 0.288 4.837 4.550 -0.000 0.000 0.247 422 Y C -0.370 175.610 175.900 0.134 0.000 1.138 422 Y CA -0.696 57.458 58.100 0.090 0.000 1.228 422 Y CB 1.595 40.108 38.460 0.088 0.000 1.252 422 Y HN -0.228 nan 8.280 nan 0.000 0.531 423 V N 0.320 120.396 119.914 0.271 0.000 2.623 423 V HA 0.220 4.340 4.120 -0.000 0.000 0.304 423 V C -0.941 175.285 176.094 0.219 0.000 1.054 423 V CA -0.642 61.841 62.300 0.305 0.000 0.882 423 V CB 2.004 34.057 31.823 0.384 0.000 1.002 423 V HN -0.002 nan 8.190 nan 0.000 0.424 424 D N 2.751 123.301 120.400 0.250 0.000 2.599 424 D HA 0.295 4.935 4.640 -0.000 0.000 0.249 424 D C -0.817 175.664 176.300 0.301 0.000 1.313 424 D CA 0.132 54.256 54.000 0.207 0.000 0.815 424 D CB 0.317 41.212 40.800 0.159 0.000 1.077 424 D HN 0.376 nan 8.370 nan 0.000 0.492 425 F N 1.008 121.077 119.950 0.199 0.000 2.630 425 F HA 0.407 4.933 4.527 -0.000 0.000 0.325 425 F C -2.175 173.800 175.800 0.292 0.000 1.184 425 F CA -1.135 56.991 58.000 0.211 0.000 1.011 425 F CB 1.168 40.276 39.000 0.180 0.000 1.268 425 F HN -0.207 nan 8.300 nan 0.000 0.480 426 F N 5.936 126.015 119.950 0.215 0.000 2.671 426 F HA 0.582 5.109 4.527 -0.000 0.000 0.332 426 F C -1.016 174.870 175.800 0.143 0.000 1.189 426 F CA -0.208 57.920 58.000 0.214 0.000 0.988 426 F CB 1.484 40.567 39.000 0.139 0.000 1.258 426 F HN 0.473 nan 8.300 nan 0.000 0.471 427 T N 3.253 117.565 114.554 -0.404 0.000 2.908 427 T HA 0.784 5.133 4.350 -0.000 0.000 0.290 427 T C -0.758 173.591 174.700 -0.584 0.000 1.034 427 T CA -0.678 61.186 62.100 -0.392 0.000 1.010 427 T CB 1.571 70.340 68.868 -0.166 0.000 1.068 427 T HN 0.877 nan 8.240 nan 0.000 0.481 428 V N -0.006 119.708 119.914 -0.332 0.000 2.628 428 V HA 0.715 4.835 4.120 -0.000 0.000 0.306 428 V C -0.516 175.489 176.094 -0.148 0.000 1.045 428 V CA -1.080 61.147 62.300 -0.123 0.000 0.905 428 V CB 1.559 33.461 31.823 0.132 0.000 0.997 428 V HN 0.932 nan 8.190 nan 0.000 0.436 429 N N 5.778 124.391 118.700 -0.144 0.000 2.419 429 N HA 0.610 5.350 4.740 -0.000 0.000 0.264 429 N C -2.502 173.051 175.510 0.072 0.000 1.031 429 N CA -1.780 51.205 53.050 -0.108 0.000 0.951 429 N CB 1.571 40.033 38.487 -0.042 0.000 1.101 429 N HN 0.654 nan 8.380 nan 0.000 0.488 430 P HA 0.353 nan 4.420 nan 0.000 0.304 430 P C -0.313 176.969 177.300 -0.031 0.000 1.310 430 P CA -0.570 62.617 63.100 0.144 0.000 0.796 430 P CB 1.237 33.140 31.700 0.337 0.000 1.297 431 M N 0.024 119.566 119.600 -0.097 0.000 2.227 431 M HA 0.158 4.638 4.480 -0.000 0.000 0.316 431 M C 1.755 177.596 176.300 -0.765 0.000 1.144 431 M CA -0.073 55.050 55.300 -0.294 0.000 1.121 431 M CB 0.296 32.866 32.600 -0.050 0.000 1.440 431 M HN 0.454 nan 8.290 nan 0.000 0.473 432 E N -0.121 119.510 120.200 -0.949 0.000 2.401 432 E HA -0.135 4.215 4.350 -0.000 0.000 0.199 432 E C -0.183 176.252 176.600 -0.275 0.000 1.023 432 E CA 1.009 56.895 56.400 -0.856 0.000 0.859 432 E CB -0.197 29.209 29.700 -0.490 0.000 0.780 432 E HN 0.495 nan 8.360 nan 0.000 0.523 433 H N 0.609 119.666 119.070 -0.022 0.000 2.908 433 H HA 0.335 4.891 4.556 -0.000 0.000 0.269 433 H C 0.682 176.014 175.328 0.007 0.000 1.303 433 H CA 0.249 56.305 56.048 0.014 0.000 1.341 433 H CB 1.236 30.997 29.762 -0.003 0.000 1.519 433 H HN 0.250 nan 8.280 nan 0.000 0.505 434 A N 3.047 125.840 122.820 -0.045 0.000 1.898 434 A HA -0.188 4.131 4.320 -0.000 0.000 0.216 434 A C 2.324 179.731 177.584 -0.296 0.000 1.181 434 A CA 1.460 53.249 52.037 -0.413 0.000 0.620 434 A CB 0.006 18.320 19.000 -1.144 0.000 0.819 434 A HN 0.533 nan 8.150 nan 0.000 0.442 435 E N -0.313 119.765 120.200 -0.203 0.000 2.028 435 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 435 E C 1.616 178.153 176.600 -0.105 0.000 0.988 435 E CA 1.078 57.365 56.400 -0.188 0.000 0.799 435 E CB -0.301 29.326 29.700 -0.122 0.000 0.755 435 E HN 0.339 nan 8.360 nan 0.000 0.447 436 L N 0.442 121.668 121.223 0.004 0.000 2.376 436 L HA 0.042 4.382 4.340 -0.000 0.000 0.219 436 L C 2.123 179.041 176.870 0.080 0.000 1.133 436 L CA 1.127 56.011 54.840 0.073 0.000 0.816 436 L CB -0.584 41.525 42.059 0.084 0.000 0.933 436 L HN 0.037 nan 8.230 nan 0.000 0.449 437 S N -0.644 115.095 115.700 0.065 0.000 2.419 437 S HA -0.179 4.291 4.470 -0.000 0.000 0.233 437 S C 1.865 176.542 174.600 0.129 0.000 1.016 437 S CA 0.891 59.162 58.200 0.119 0.000 0.974 437 S CB -0.161 63.153 63.200 0.191 0.000 0.786 437 S HN 0.452 nan 8.310 nan 0.000 0.492 438 K N 0.924 121.308 120.400 -0.027 0.000 2.211 438 K HA -0.033 4.286 4.320 -0.000 0.000 0.204 438 K C 1.785 178.496 176.600 0.185 0.000 1.047 438 K CA 1.016 57.224 56.287 -0.133 0.000 0.935 438 K CB -0.360 31.722 32.500 -0.698 0.000 0.728 438 K HN 0.386 nan 8.250 nan 0.000 0.452 439 I N 0.180 120.860 120.570 0.183 0.000 2.142 439 I HA -0.308 3.862 4.170 -0.000 0.000 0.240 439 I C 2.627 178.967 176.117 0.372 0.000 1.078 439 I CA 1.159 62.606 61.300 0.246 0.000 1.343 439 I CB -0.351 37.786 38.000 0.228 0.000 1.046 439 I HN 0.120 nan 8.210 nan 0.000 0.405 440 S N 0.798 116.725 115.700 0.378 0.000 2.357 440 S HA -0.085 4.385 4.470 -0.000 0.000 0.221 440 S C 2.087 176.966 174.600 0.466 0.000 1.031 440 S CA 1.040 59.515 58.200 0.458 0.000 0.982 440 S CB -0.306 63.166 63.200 0.453 0.000 0.853 440 S HN 0.272 nan 8.310 nan 0.000 0.458 441 I N 1.475 122.309 120.570 0.441 0.000 2.194 441 I HA -0.268 3.901 4.170 -0.000 0.000 0.246 441 I C 2.565 178.976 176.117 0.491 0.000 1.093 441 I CA 1.826 63.408 61.300 0.470 0.000 1.355 441 I CB -0.620 37.712 38.000 0.552 0.000 1.046 441 I HN 0.498 nan 8.210 nan 0.000 0.413 442 H N 1.185 120.529 119.070 0.456 0.000 2.319 442 H HA -0.206 4.349 4.556 -0.000 0.000 0.297 442 H C 2.400 177.905 175.328 0.295 0.000 1.097 442 H CA 2.450 58.719 56.048 0.368 0.000 1.285 442 H CB -0.046 29.940 29.762 0.374 0.000 1.368 442 H HN 0.462 nan 8.280 nan 0.000 0.495 443 T N -1.732 113.138 114.554 0.525 0.000 2.915 443 T HA 0.061 4.410 4.350 -0.000 0.000 0.269 443 T C 2.219 177.135 174.700 0.359 0.000 1.071 443 T CA 1.105 63.508 62.100 0.506 0.000 1.132 443 T CB -0.502 68.726 68.868 0.599 0.000 0.878 443 T HN 0.373 nan 8.240 nan 0.000 0.479 444 A N 1.719 124.743 122.820 0.340 0.000 1.930 444 A HA 0.420 4.740 4.320 -0.000 0.000 0.217 444 A C 2.842 180.576 177.584 0.250 0.000 1.175 444 A CA 1.615 53.854 52.037 0.337 0.000 0.627 444 A CB -1.377 17.914 19.000 0.485 0.000 0.815 444 A HN 0.751 nan 8.150 nan 0.000 0.443 445 A N 0.074 122.999 122.820 0.175 0.000 1.908 445 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 445 A C 1.858 179.473 177.584 0.053 0.000 1.181 445 A CA 2.310 54.382 52.037 0.057 0.000 0.627 445 A CB -0.741 18.201 19.000 -0.098 0.000 0.818 445 A HN 0.544 nan 8.150 nan 0.000 0.445 446 D N -2.220 118.226 120.400 0.076 0.000 2.097 446 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 446 D C 1.786 178.176 176.300 0.150 0.000 0.984 446 D CA 1.493 55.578 54.000 0.142 0.000 0.826 446 D CB -0.292 40.662 40.800 0.256 0.000 0.973 446 D HN 0.496 nan 8.370 nan 0.000 0.460 447 Y N 0.873 121.102 120.300 -0.120 0.000 2.207 447 Y HA -0.214 4.336 4.550 -0.000 0.000 0.287 447 Y C 2.278 177.976 175.900 -0.337 0.000 1.156 447 Y CA 2.240 60.050 58.100 -0.484 0.000 1.182 447 Y CB -0.504 37.355 38.460 -1.003 0.000 0.979 447 Y HN 0.094 nan 8.280 nan 0.000 0.521 448 S N -1.207 114.272 115.700 -0.368 0.000 2.478 448 S HA -0.113 4.356 4.470 -0.000 0.000 0.222 448 S C 1.856 176.356 174.600 -0.166 0.000 1.008 448 S CA 0.315 58.273 58.200 -0.404 0.000 0.928 448 S CB -0.916 62.189 63.200 -0.160 0.000 0.781 448 S HN 0.724 nan 8.310 nan 0.000 0.518 449 W N 2.457 123.629 121.300 -0.213 0.000 2.574 449 W HA 0.358 5.018 4.660 -0.000 0.000 0.282 449 W C 0.024 176.437 176.519 -0.175 0.000 1.197 449 W CA 0.325 57.571 57.345 -0.166 0.000 1.376 449 W CB -0.097 29.274 29.460 -0.148 0.000 1.091 449 W HN 0.288 nan 8.180 nan 0.000 0.569 450 N N 1.481 120.252 118.700 0.118 0.000 2.844 450 N HA 0.080 4.819 4.740 -0.000 0.000 0.268 450 N C 0.805 176.294 175.510 -0.034 0.000 1.574 450 N CA -0.047 53.019 53.050 0.026 0.000 0.838 450 N CB -0.131 38.436 38.487 0.133 0.000 1.177 450 N HN 0.047 nan 8.380 nan 0.000 0.495 451 M N 0.475 119.965 119.600 -0.182 0.000 2.117 451 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 451 M C 1.071 177.339 176.300 -0.055 0.000 1.065 451 M CA 1.818 56.956 55.300 -0.269 0.000 1.114 451 M CB 0.080 32.410 32.600 -0.450 0.000 1.361 451 M HN 0.275 nan 8.290 nan 0.000 0.408 452 D N 0.129 120.503 120.400 -0.044 0.000 2.182 452 D HA -0.137 4.502 4.640 -0.000 0.000 0.201 452 D C 0.906 177.232 176.300 0.042 0.000 0.986 452 D CA 1.115 55.114 54.000 -0.001 0.000 0.847 452 D CB 0.094 40.884 40.800 -0.016 0.000 0.942 452 D HN 0.419 nan 8.370 nan 0.000 0.467 453 N N -0.771 117.964 118.700 0.057 0.000 2.214 453 N HA -0.046 4.694 4.740 -0.000 0.000 0.214 453 N C -0.595 174.977 175.510 0.103 0.000 1.132 453 N CA -0.220 52.866 53.050 0.060 0.000 0.856 453 N CB 0.300 38.808 38.487 0.034 0.000 1.020 453 N HN 0.259 nan 8.380 nan 0.000 0.509 454 Y N 2.654 122.985 120.300 0.052 0.000 2.650 454 Y HA 0.019 4.569 4.550 -0.000 0.000 0.331 454 Y C -0.077 175.887 175.900 0.107 0.000 1.165 454 Y CA 0.088 58.256 58.100 0.113 0.000 1.473 454 Y CB 0.325 38.914 38.460 0.214 0.000 1.224 454 Y HN -0.070 nan 8.280 nan 0.000 0.533 455 D N 6.070 126.109 120.400 -0.602 0.000 2.469 455 D HA 0.005 4.645 4.640 -0.000 0.000 0.251 455 D C 0.323 176.208 176.300 -0.692 0.000 1.173 455 D CA -0.539 53.160 54.000 -0.502 0.000 0.882 455 D CB 0.402 41.044 40.800 -0.264 0.000 1.129 455 D HN 0.661 nan 8.370 nan 0.000 0.549 456 Y N 2.814 122.761 120.300 -0.588 0.000 2.165 456 Y HA -0.132 4.418 4.550 -0.000 0.000 0.286 456 Y C 1.554 177.436 175.900 -0.030 0.000 1.155 456 Y CA 1.671 59.576 58.100 -0.324 0.000 1.164 456 Y CB -0.601 37.883 38.460 0.040 0.000 0.978 456 Y HN 0.306 nan 8.280 nan 0.000 0.513 457 D N 0.182 120.385 120.400 -0.329 0.000 2.097 457 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 457 D C 1.967 178.333 176.300 0.110 0.000 0.984 457 D CA 1.702 55.681 54.000 -0.035 0.000 0.826 457 D CB -0.064 40.604 40.800 -0.221 0.000 0.973 457 D HN 0.397 nan 8.370 nan 0.000 0.460 458 K N -0.089 120.291 120.400 -0.033 0.000 2.057 458 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 458 K C 2.177 178.823 176.600 0.076 0.000 1.049 458 K CA 1.089 57.381 56.287 0.009 0.000 0.931 458 K CB -0.182 32.290 32.500 -0.048 0.000 0.714 458 K HN 0.123 nan 8.250 nan 0.000 0.440 459 A N 0.657 123.522 122.820 0.075 0.000 1.933 459 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 459 A C 1.905 179.682 177.584 0.322 0.000 1.175 459 A CA 1.339 53.506 52.037 0.217 0.000 0.628 459 A CB -0.840 18.324 19.000 0.274 0.000 0.814 459 A HN 0.592 nan 8.150 nan 0.000 0.444 460 W N 1.401 122.793 121.300 0.153 0.000 2.358 460 W HA -0.134 4.526 4.660 -0.000 0.000 0.303 460 W C 1.995 178.570 176.519 0.093 0.000 1.208 460 W CA 1.737 59.176 57.345 0.157 0.000 1.274 460 W CB -0.232 29.328 29.460 0.167 0.000 1.138 460 W HN 0.357 nan 8.180 nan 0.000 0.515 461 N N 0.197 118.934 118.700 0.062 0.000 2.142 461 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 461 N C 1.830 177.262 175.510 -0.129 0.000 1.023 461 N CA 1.568 54.534 53.050 -0.139 0.000 0.852 461 N CB -0.537 37.951 38.487 0.002 0.000 0.998 461 N HN 0.224 nan 8.380 nan 0.000 0.424 462 R N 0.995 121.484 120.500 -0.019 0.000 2.081 462 R HA -0.042 4.297 4.340 -0.000 0.000 0.235 462 R C 2.262 178.491 176.300 -0.118 0.000 1.131 462 R CA 1.401 57.505 56.100 0.006 0.000 0.960 462 R CB -0.231 30.145 30.300 0.127 0.000 0.856 462 R HN 0.167 nan 8.270 nan 0.000 0.436 463 A N 0.752 123.443 122.820 -0.215 0.000 1.873 463 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 463 A C 2.138 179.481 177.584 -0.401 0.000 1.193 463 A CA 1.741 53.364 52.037 -0.690 0.000 0.629 463 A CB -0.607 18.252 19.000 -0.235 0.000 0.826 463 A HN 0.345 nan 8.150 nan 0.000 0.447 464 I N -0.503 119.902 120.570 -0.275 0.000 2.353 464 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 464 I C 1.880 177.976 176.117 -0.035 0.000 1.119 464 I CA 1.142 62.371 61.300 -0.117 0.000 1.417 464 I CB -0.517 37.266 38.000 -0.362 0.000 1.078 464 I HN 0.233 nan 8.210 nan 0.000 0.421 465 D N 1.036 121.369 120.400 -0.111 0.000 2.106 465 D HA -0.211 4.428 4.640 -0.000 0.000 0.191 465 D C 2.266 178.536 176.300 -0.050 0.000 0.997 465 D CA 1.698 55.661 54.000 -0.063 0.000 0.834 465 D CB -0.204 40.559 40.800 -0.062 0.000 0.956 465 D HN 0.322 nan 8.370 nan 0.000 0.448 466 M N -0.388 119.162 119.600 -0.084 0.000 2.349 466 M HA -0.004 4.476 4.480 -0.000 0.000 0.266 466 M C 2.063 178.311 176.300 -0.086 0.000 1.076 466 M CA 0.663 55.930 55.300 -0.056 0.000 1.126 466 M CB 0.129 32.734 32.600 0.009 0.000 1.392 466 M HN -0.030 nan 8.290 nan 0.000 0.440 467 L N -2.189 118.942 121.223 -0.154 0.000 2.307 467 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 467 L C 1.334 177.880 176.870 -0.540 0.000 1.099 467 L CA 0.848 55.494 54.840 -0.324 0.000 0.816 467 L CB -0.069 41.758 42.059 -0.386 0.000 0.952 467 L HN 0.229 nan 8.230 nan 0.000 0.455 468 Y N -1.041 119.208 120.300 -0.085 0.000 2.426 468 Y HA 0.344 4.894 4.550 -0.000 0.000 0.249 468 Y C 1.755 177.618 175.900 -0.061 0.000 1.103 468 Y CA 0.267 58.323 58.100 -0.072 0.000 1.256 468 Y CB 0.554 38.966 38.460 -0.080 0.000 1.208 468 Y HN 0.150 nan 8.280 nan 0.000 0.519 469 G N 1.851 110.673 108.800 0.037 0.000 2.574 469 G HA2 -0.486 3.474 3.960 -0.000 0.000 0.301 469 G HA3 -0.486 3.474 3.960 -0.000 0.000 0.301 469 G C 0.658 175.568 174.900 0.016 0.000 1.166 469 G CA 0.961 46.066 45.100 0.007 0.000 0.971 469 G HN 0.444 nan 8.290 nan 0.000 0.542 470 D N 0.473 120.879 120.400 0.011 0.000 2.349 470 D HA 0.308 4.948 4.640 -0.000 0.000 0.224 470 D C 1.974 178.281 176.300 0.010 0.000 1.029 470 D CA 0.515 54.517 54.000 0.005 0.000 0.879 470 D CB 0.144 40.941 40.800 -0.004 0.000 0.906 470 D HN 0.314 nan 8.370 nan 0.000 0.528 471 L N 0.079 121.323 121.223 0.035 0.000 2.607 471 L HA 0.442 4.781 4.340 -0.000 0.000 0.228 471 L C 2.148 179.023 176.870 0.008 0.000 1.123 471 L CA 0.076 54.934 54.840 0.029 0.000 0.890 471 L CB -0.569 41.528 42.059 0.063 0.000 1.103 471 L HN 0.128 nan 8.230 nan 0.000 0.468 472 A N -0.490 122.348 122.820 0.030 0.000 1.917 472 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 472 A C 2.308 179.848 177.584 -0.074 0.000 1.182 472 A CA 2.034 54.062 52.037 -0.014 0.000 0.633 472 A CB -0.379 18.616 19.000 -0.008 0.000 0.819 472 A HN 0.495 nan 8.150 nan 0.000 0.448 473 E N -0.487 119.686 120.200 -0.045 0.000 2.047 473 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 473 E C 1.368 177.953 176.600 -0.024 0.000 0.987 473 E CA 1.334 57.713 56.400 -0.036 0.000 0.799 473 E CB -0.111 29.578 29.700 -0.019 0.000 0.752 473 E HN 0.533 nan 8.360 nan 0.000 0.449 474 D N 0.141 120.526 120.400 -0.025 0.000 2.117 474 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 474 D C 1.838 178.132 176.300 -0.011 0.000 0.987 474 D CA 1.004 54.996 54.000 -0.013 0.000 0.829 474 D CB -0.221 40.562 40.800 -0.028 0.000 0.961 474 D HN 0.180 nan 8.370 nan 0.000 0.460 475 M N 0.836 120.383 119.600 -0.088 0.000 2.159 475 M HA -0.125 4.354 4.480 -0.000 0.000 0.263 475 M C 1.644 177.917 176.300 -0.044 0.000 1.063 475 M CA 1.556 56.774 55.300 -0.136 0.000 1.110 475 M CB -0.016 32.295 32.600 -0.481 0.000 1.374 475 M HN -0.190 nan 8.290 nan 0.000 0.411 476 K N -1.090 119.249 120.400 -0.101 0.000 2.103 476 K HA -0.133 4.186 4.320 -0.000 0.000 0.207 476 K C 1.787 178.492 176.600 0.174 0.000 1.048 476 K CA 1.622 57.865 56.287 -0.073 0.000 0.930 476 K CB -0.457 31.960 32.500 -0.138 0.000 0.716 476 K HN 0.240 nan 8.250 nan 0.000 0.444 477 V N 0.993 120.999 119.914 0.153 0.000 2.332 477 V HA -0.255 3.864 4.120 -0.000 0.000 0.248 477 V C 1.953 178.237 176.094 0.317 0.000 1.055 477 V CA 1.850 64.278 62.300 0.213 0.000 1.038 477 V CB -0.480 31.437 31.823 0.156 0.000 0.651 477 V HN 0.262 nan 8.190 nan 0.000 0.450 478 F N 1.535 121.555 119.950 0.117 0.000 2.098 478 F HA 0.024 4.551 4.527 -0.000 0.000 0.294 478 F C 2.281 178.182 175.800 0.169 0.000 1.107 478 F CA 1.382 59.446 58.000 0.105 0.000 1.234 478 F CB -0.766 38.234 39.000 0.000 0.000 1.002 478 F HN 0.043 nan 8.300 nan 0.000 0.472 479 A N 0.432 123.212 122.820 -0.066 0.000 1.933 479 A HA -0.254 4.065 4.320 -0.000 0.000 0.218 479 A C 2.002 179.676 177.584 0.150 0.000 1.175 479 A CA 1.833 53.828 52.037 -0.068 0.000 0.628 479 A CB -1.330 17.781 19.000 0.185 0.000 0.814 479 A HN 0.565 nan 8.150 nan 0.000 0.444 480 N N -0.559 118.327 118.700 0.310 0.000 2.334 480 N HA -0.189 4.551 4.740 -0.000 0.000 0.187 480 N C 1.089 176.495 175.510 -0.172 0.000 1.016 480 N CA 1.622 54.714 53.050 0.071 0.000 0.879 480 N CB -0.472 38.102 38.487 0.145 0.000 0.965 480 N HN 0.699 nan 8.380 nan 0.000 0.438 481 H N -2.263 116.755 119.070 -0.086 0.000 2.539 481 H HA 0.353 4.909 4.556 -0.000 0.000 0.269 481 H C 0.065 175.304 175.328 -0.148 0.000 0.980 481 H CA 0.211 56.198 56.048 -0.101 0.000 1.152 481 H CB 0.447 30.171 29.762 -0.064 0.000 1.407 481 H HN -0.016 nan 8.280 nan 0.000 0.564 482 S N -0.307 115.328 115.700 -0.108 0.000 2.526 482 S HA 0.068 4.538 4.470 -0.000 0.000 0.220 482 S C 1.079 175.639 174.600 -0.066 0.000 1.159 482 S CA 0.099 58.222 58.200 -0.128 0.000 1.196 482 S CB -0.212 62.814 63.200 -0.290 0.000 1.225 482 S HN 0.547 nan 8.310 nan 0.000 0.432 483 T N -1.317 113.198 114.554 -0.066 0.000 3.018 483 T HA 0.325 4.675 4.350 -0.000 0.000 0.246 483 T C 0.774 175.502 174.700 0.047 0.000 1.026 483 T CA -0.128 61.961 62.100 -0.018 0.000 1.081 483 T CB -0.007 68.739 68.868 -0.203 0.000 0.970 483 T HN 0.230 nan 8.240 nan 0.000 0.475 484 R N 1.759 122.242 120.500 -0.027 0.000 2.267 484 R HA 0.452 4.792 4.340 -0.000 0.000 0.319 484 R C -0.657 175.658 176.300 0.026 0.000 1.067 484 R CA -0.383 55.706 56.100 -0.018 0.000 0.936 484 R CB 0.025 30.281 30.300 -0.074 0.000 1.006 484 R HN 0.198 nan 8.270 nan 0.000 0.452 485 M N 2.966 122.607 119.600 0.068 0.000 2.294 485 M HA 0.316 4.796 4.480 -0.000 0.000 0.335 485 M C -1.154 175.105 176.300 -0.068 0.000 1.079 485 M CA -0.675 54.650 55.300 0.041 0.000 0.982 485 M CB 1.597 34.302 32.600 0.174 0.000 1.651 485 M HN 0.585 nan 8.290 nan 0.000 0.437 486 D N 2.135 122.361 120.400 -0.290 0.000 2.301 486 D HA 0.090 4.730 4.640 -0.000 0.000 0.203 486 D C -0.081 175.748 176.300 -0.785 0.000 1.300 486 D CA -0.214 53.555 54.000 -0.385 0.000 0.899 486 D CB 0.775 41.414 40.800 -0.268 0.000 1.597 486 D HN 0.598 nan 8.370 nan 0.000 0.538 487 N N 3.217 121.541 118.700 -0.626 0.000 2.461 487 N HA -0.023 4.717 4.740 -0.000 0.000 0.188 487 N C 0.264 175.571 175.510 -0.339 0.000 1.134 487 N CA 0.197 52.889 53.050 -0.597 0.000 0.878 487 N CB -0.053 38.291 38.487 -0.240 0.000 0.972 487 N HN 0.618 nan 8.380 nan 0.000 0.456 488 K N -2.001 118.216 120.400 -0.306 0.000 3.553 488 K HA -0.199 4.121 4.320 -0.000 0.000 0.303 488 K C 0.291 176.827 176.600 -0.107 0.000 1.327 488 K CA 1.472 57.659 56.287 -0.168 0.000 0.983 488 K CB -2.085 30.352 32.500 -0.105 0.000 1.275 488 K HN 0.676 nan 8.250 nan 0.000 0.453 489 T N -3.050 111.423 114.554 -0.135 0.000 1.559 489 T HA 0.171 4.521 4.350 -0.000 0.000 0.177 489 T C 1.234 175.905 174.700 -0.048 0.000 0.688 489 T CA -0.139 61.938 62.100 -0.039 0.000 1.094 489 T CB -0.460 68.456 68.868 0.080 0.000 3.358 489 T HN 0.332 nan 8.240 nan 0.000 0.413 490 W N 2.801 124.055 121.300 -0.076 0.000 2.465 490 W HA 0.525 5.185 4.660 -0.000 0.000 0.268 490 W C 0.173 176.599 176.519 -0.156 0.000 1.242 490 W CA 0.187 57.471 57.345 -0.101 0.000 1.248 490 W CB -0.722 28.679 29.460 -0.097 0.000 1.118 490 W HN 0.601 nan 8.180 nan 0.000 0.587 491 A N 2.549 124.827 122.820 -0.904 0.000 2.291 491 A HA 0.617 4.937 4.320 -0.000 0.000 0.311 491 A C -0.474 176.758 177.584 -0.587 0.000 1.224 491 A CA -0.761 50.630 52.037 -1.078 0.000 0.821 491 A CB 0.623 18.265 19.000 -2.263 0.000 1.172 491 A HN 0.270 nan 8.150 nan 0.000 0.494 492 K N 0.298 120.488 120.400 -0.350 0.000 2.543 492 K HA 0.810 5.130 4.320 -0.000 0.000 0.255 492 K C -1.141 175.400 176.600 -0.099 0.000 0.934 492 K CA -0.538 55.640 56.287 -0.182 0.000 0.810 492 K CB 1.982 34.393 32.500 -0.148 0.000 1.315 492 K HN 0.503 nan 8.250 nan 0.000 0.433 493 S N 0.368 116.059 115.700 -0.015 0.000 2.565 493 S HA 0.787 5.257 4.470 -0.000 0.000 0.274 493 S C -1.434 173.188 174.600 0.037 0.000 1.144 493 S CA 0.357 58.566 58.200 0.015 0.000 0.849 493 S CB 1.542 64.727 63.200 -0.026 0.000 1.103 493 S HN 1.549 nan 8.310 nan 0.000 0.455 494 G N 2.697 111.441 108.800 -0.094 0.000 2.525 494 G HA2 0.091 4.051 3.960 -0.000 0.000 0.685 494 G HA3 0.091 4.051 3.960 -0.000 0.000 0.685 494 G C -0.995 173.627 174.900 -0.464 0.000 1.285 494 G CA -0.790 44.139 45.100 -0.285 0.000 0.849 494 G HN 0.774 nan 8.290 nan 0.000 0.653 495 R N 0.640 120.628 120.500 -0.854 0.000 2.640 495 R HA 0.128 4.468 4.340 -0.000 0.000 0.270 495 R C 0.491 176.491 176.300 -0.501 0.000 1.024 495 R CA -0.156 55.297 56.100 -1.078 0.000 1.085 495 R CB 0.272 30.006 30.300 -0.943 0.000 0.963 495 R HN 0.548 nan 8.270 nan 0.000 0.426 496 E N 2.196 122.170 120.200 -0.375 0.000 2.459 496 E HA -0.076 4.274 4.350 -0.000 0.000 0.264 496 E C -0.535 175.931 176.600 -0.222 0.000 1.055 496 E CA 0.411 56.680 56.400 -0.219 0.000 0.957 496 E CB 0.323 29.934 29.700 -0.147 0.000 0.952 496 E HN 0.453 nan 8.360 nan 0.000 0.448 497 D N 0.636 120.938 120.400 -0.164 0.000 2.425 497 D HA 0.148 4.788 4.640 -0.000 0.000 0.247 497 D C 0.155 176.322 176.300 -0.222 0.000 1.147 497 D CA 0.438 54.330 54.000 -0.180 0.000 0.879 497 D CB 0.464 41.206 40.800 -0.096 0.000 1.179 497 D HN 0.493 nan 8.370 nan 0.000 0.456 498 A N 4.085 126.711 122.820 -0.323 0.000 2.103 498 A HA -0.161 4.159 4.320 -0.000 0.000 0.269 498 A C -1.353 176.107 177.584 -0.207 0.000 1.346 498 A CA -0.149 51.675 52.037 -0.356 0.000 0.755 498 A CB -1.008 17.595 19.000 -0.662 0.000 1.146 498 A HN 0.426 nan 8.150 nan 0.000 0.330 499 P HA -0.098 nan 4.420 nan 0.000 0.216 499 P C 1.173 178.426 177.300 -0.080 0.000 1.153 499 P CA 1.627 64.665 63.100 -0.103 0.000 0.848 499 P CB 0.120 31.769 31.700 -0.086 0.000 0.787 500 E N -0.696 119.453 120.200 -0.086 0.000 2.106 500 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 500 E C 1.875 178.422 176.600 -0.087 0.000 0.984 500 E CA 0.588 56.945 56.400 -0.072 0.000 0.806 500 E CB -1.134 28.528 29.700 -0.064 0.000 0.750 500 E HN 0.093 nan 8.360 nan 0.000 0.458 501 L N 0.797 121.957 121.223 -0.104 0.000 2.056 501 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 501 L C 2.197 179.010 176.870 -0.096 0.000 1.078 501 L CA 1.594 56.366 54.840 -0.113 0.000 0.749 501 L CB -0.306 41.703 42.059 -0.084 0.000 0.901 501 L HN -0.056 nan 8.230 nan 0.000 0.433 502 R N 0.483 120.945 120.500 -0.063 0.000 2.083 502 R HA -0.083 4.257 4.340 -0.000 0.000 0.237 502 R C 2.115 178.408 176.300 -0.011 0.000 1.137 502 R CA 1.880 57.970 56.100 -0.017 0.000 0.951 502 R CB -1.232 29.063 30.300 -0.008 0.000 0.851 502 R HN 0.468 nan 8.270 nan 0.000 0.434 503 A N 0.788 123.591 122.820 -0.030 0.000 1.933 503 A HA -0.164 4.155 4.320 -0.000 0.000 0.218 503 A C 2.120 179.676 177.584 -0.046 0.000 1.175 503 A CA 1.808 53.831 52.037 -0.023 0.000 0.628 503 A CB -0.412 18.570 19.000 -0.028 0.000 0.814 503 A HN 0.420 nan 8.150 nan 0.000 0.444 504 K N -0.952 119.395 120.400 -0.088 0.000 2.025 504 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 504 K C 2.112 178.605 176.600 -0.178 0.000 1.049 504 K CA 1.714 57.920 56.287 -0.135 0.000 0.933 504 K CB -0.307 32.086 32.500 -0.178 0.000 0.714 504 K HN 0.514 nan 8.250 nan 0.000 0.438 505 M N 1.029 120.517 119.600 -0.187 0.000 2.108 505 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 505 M C 1.456 177.676 176.300 -0.133 0.000 1.066 505 M CA 1.464 56.637 55.300 -0.211 0.000 1.107 505 M CB -0.324 32.229 32.600 -0.078 0.000 1.356 505 M HN 0.048 nan 8.290 nan 0.000 0.406 506 D N 0.107 120.533 120.400 0.043 0.000 2.144 506 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 506 D C 1.911 178.254 176.300 0.072 0.000 0.984 506 D CA 1.309 55.400 54.000 0.150 0.000 0.834 506 D CB -0.288 40.584 40.800 0.121 0.000 0.955 506 D HN 0.340 nan 8.370 nan 0.000 0.465 507 E N 0.375 120.564 120.200 -0.018 0.000 2.152 507 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 507 E C 1.942 178.497 176.600 -0.075 0.000 0.983 507 E CA 0.235 56.619 56.400 -0.028 0.000 0.818 507 E CB -0.336 29.337 29.700 -0.044 0.000 0.758 507 E HN 0.163 nan 8.360 nan 0.000 0.467 508 L N -0.428 120.676 121.223 -0.197 0.000 1.989 508 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 508 L C 1.953 178.663 176.870 -0.267 0.000 1.071 508 L CA 2.026 56.677 54.840 -0.315 0.000 0.749 508 L CB -0.670 41.072 42.059 -0.529 0.000 0.890 508 L HN 0.305 nan 8.230 nan 0.000 0.431 509 W N -0.572 120.709 121.300 -0.032 0.000 2.363 509 W HA -0.196 4.464 4.660 -0.000 0.000 0.296 509 W C 2.583 179.105 176.519 0.005 0.000 1.212 509 W CA 0.724 58.026 57.345 -0.072 0.000 1.260 509 W CB -0.663 28.778 29.460 -0.032 0.000 1.131 509 W HN 0.312 nan 8.180 nan 0.000 0.530 510 N N 1.125 119.952 118.700 0.210 0.000 2.043 510 N HA -0.196 4.544 4.740 -0.000 0.000 0.193 510 N C 1.521 177.096 175.510 0.109 0.000 1.037 510 N CA 1.870 55.005 53.050 0.143 0.000 0.851 510 N CB -0.300 38.242 38.487 0.093 0.000 1.027 510 N HN 0.033 nan 8.380 nan 0.000 0.422 511 K N -0.100 120.338 120.400 0.064 0.000 2.026 511 K HA -0.070 4.249 4.320 -0.000 0.000 0.208 511 K C 2.097 178.748 176.600 0.086 0.000 1.048 511 K CA 1.233 57.551 56.287 0.050 0.000 0.929 511 K CB -0.295 32.209 32.500 0.007 0.000 0.713 511 K HN 0.228 nan 8.250 nan 0.000 0.439 512 L N 0.982 122.268 121.223 0.105 0.000 2.083 512 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 512 L C 2.473 179.513 176.870 0.283 0.000 1.083 512 L CA 1.435 56.387 54.840 0.188 0.000 0.752 512 L CB -0.546 41.614 42.059 0.167 0.000 0.899 512 L HN 0.255 nan 8.230 nan 0.000 0.433 513 S N -2.688 113.188 115.700 0.294 0.000 2.522 513 S HA -0.005 4.465 4.470 -0.000 0.000 0.227 513 S C 1.671 176.362 174.600 0.152 0.000 0.986 513 S CA 0.587 58.943 58.200 0.260 0.000 0.929 513 S CB 0.138 63.500 63.200 0.270 0.000 0.769 513 S HN 0.233 nan 8.310 nan 0.000 0.529 514 S N 1.106 116.882 115.700 0.127 0.000 2.539 514 S HA 0.324 4.794 4.470 -0.000 0.000 0.221 514 S C 0.024 174.667 174.600 0.073 0.000 0.987 514 S CA -0.485 57.767 58.200 0.086 0.000 0.929 514 S CB -0.121 63.123 63.200 0.073 0.000 0.832 514 S HN 0.594 nan 8.310 nan 0.000 0.492 515 K N 1.129 121.581 120.400 0.088 0.000 3.129 515 K HA -0.174 4.146 4.320 -0.000 0.000 0.273 515 K C -0.757 175.878 176.600 0.057 0.000 1.123 515 K CA 0.675 57.006 56.287 0.073 0.000 0.800 515 K CB -1.479 31.055 32.500 0.056 0.000 1.238 515 K HN 0.479 nan 8.250 nan 0.000 0.492 516 E N 1.193 121.427 120.200 0.056 0.000 2.231 516 E HA 0.111 4.461 4.350 -0.000 0.000 0.277 516 E C -0.261 176.361 176.600 0.037 0.000 0.999 516 E CA -0.843 55.582 56.400 0.040 0.000 0.827 516 E CB 0.986 30.705 29.700 0.033 0.000 1.101 516 E HN 0.098 nan 8.360 nan 0.000 0.393 517 D N 1.413 121.831 120.400 0.029 0.000 2.488 517 D HA -0.037 4.603 4.640 -0.000 0.000 0.238 517 D C -0.426 175.883 176.300 0.013 0.000 1.138 517 D CA 0.390 54.405 54.000 0.025 0.000 0.873 517 D CB 0.901 41.713 40.800 0.020 0.000 1.183 517 D HN 0.529 nan 8.370 nan 0.000 0.458 518 A N 2.486 125.312 122.820 0.011 0.000 2.635 518 A HA 0.063 4.383 4.320 -0.000 0.000 0.279 518 A C 1.677 179.255 177.584 -0.010 0.000 1.122 518 A CA 0.335 52.364 52.037 -0.012 0.000 0.965 518 A CB -0.075 18.907 19.000 -0.030 0.000 1.221 518 A HN 0.539 nan 8.150 nan 0.000 0.566 519 S N 0.363 116.069 115.700 0.010 0.000 2.383 519 S HA -0.130 4.340 4.470 -0.000 0.000 0.229 519 S C 1.959 176.568 174.600 0.015 0.000 1.030 519 S CA 1.463 59.677 58.200 0.024 0.000 1.002 519 S CB -0.485 62.732 63.200 0.028 0.000 0.829 519 S HN 0.985 nan 8.310 nan 0.000 0.467 520 A N 1.545 124.363 122.820 -0.003 0.000 1.897 520 A HA 0.194 4.513 4.320 -0.000 0.000 0.215 520 A C 2.206 179.769 177.584 -0.034 0.000 1.181 520 A CA 1.297 53.326 52.037 -0.013 0.000 0.620 520 A CB -0.785 18.204 19.000 -0.018 0.000 0.821 520 A HN 0.465 nan 8.150 nan 0.000 0.443 521 L N 0.152 121.342 121.223 -0.055 0.000 2.056 521 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 521 L C 2.216 179.012 176.870 -0.123 0.000 1.078 521 L CA 1.468 56.248 54.840 -0.100 0.000 0.749 521 L CB -0.611 41.379 42.059 -0.116 0.000 0.901 521 L HN 0.439 nan 8.230 nan 0.000 0.433 522 I N -0.514 120.006 120.570 -0.083 0.000 2.127 522 I HA -0.351 3.818 4.170 -0.000 0.000 0.241 522 I C 2.526 178.659 176.117 0.026 0.000 1.075 522 I CA 1.807 63.063 61.300 -0.074 0.000 1.334 522 I CB -0.374 37.632 38.000 0.009 0.000 1.040 522 I HN 0.393 nan 8.210 nan 0.000 0.405 523 E N 0.881 121.144 120.200 0.106 0.000 2.058 523 E HA -0.317 4.033 4.350 -0.000 0.000 0.194 523 E C 2.129 178.760 176.600 0.053 0.000 0.997 523 E CA 1.712 58.200 56.400 0.145 0.000 0.801 523 E CB -0.053 29.687 29.700 0.066 0.000 0.746 523 E HN 0.434 nan 8.360 nan 0.000 0.450 524 E N 0.089 120.264 120.200 -0.041 0.000 2.058 524 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 524 E C 2.233 178.704 176.600 -0.214 0.000 0.997 524 E CA 1.216 57.551 56.400 -0.107 0.000 0.801 524 E CB -0.057 29.570 29.700 -0.123 0.000 0.746 524 E HN 0.319 nan 8.360 nan 0.000 0.450 525 L N -0.361 120.671 121.223 -0.318 0.000 2.093 525 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 525 L C 2.277 178.725 176.870 -0.703 0.000 1.085 525 L CA 0.956 55.395 54.840 -0.669 0.000 0.755 525 L CB -0.470 41.180 42.059 -0.683 0.000 0.904 525 L HN 0.253 nan 8.230 nan 0.000 0.435 526 Y N 0.243 120.396 120.300 -0.245 0.000 2.165 526 Y HA -0.244 4.306 4.550 -0.000 0.000 0.286 526 Y C 2.595 178.440 175.900 -0.092 0.000 1.155 526 Y CA 1.259 59.321 58.100 -0.062 0.000 1.164 526 Y CB -0.592 37.868 38.460 -0.000 0.000 0.978 526 Y HN 0.178 nan 8.280 nan 0.000 0.513 527 G N -0.497 108.322 108.800 0.031 0.000 2.408 527 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 527 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 527 G C 1.479 176.340 174.900 -0.066 0.000 1.150 527 G CA 0.831 45.925 45.100 -0.009 0.000 0.776 527 G HN 0.288 nan 8.290 nan 0.000 0.542 528 E N 0.363 120.434 120.200 -0.215 0.000 2.077 528 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 528 E C 2.248 178.795 176.600 -0.089 0.000 0.989 528 E CA 0.745 57.005 56.400 -0.232 0.000 0.800 528 E CB -0.308 29.130 29.700 -0.438 0.000 0.746 528 E HN 0.471 nan 8.360 nan 0.000 0.452 529 F N 0.998 120.942 119.950 -0.009 0.000 2.163 529 F HA 0.017 4.544 4.527 -0.000 0.000 0.297 529 F C 2.518 178.332 175.800 0.023 0.000 1.094 529 F CA 0.546 58.544 58.000 -0.004 0.000 1.290 529 F CB -1.332 37.661 39.000 -0.011 0.000 1.017 529 F HN -0.041 nan 8.300 nan 0.000 0.483 530 A N 0.272 123.218 122.820 0.209 0.000 1.908 530 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 530 A C 2.307 179.941 177.584 0.083 0.000 1.181 530 A CA 2.065 54.179 52.037 0.128 0.000 0.627 530 A CB -0.804 18.255 19.000 0.099 0.000 0.818 530 A HN 0.294 nan 8.150 nan 0.000 0.445 531 R N -0.640 119.901 120.500 0.069 0.000 2.092 531 R HA -0.017 4.323 4.340 -0.000 0.000 0.231 531 R C 2.025 178.367 176.300 0.069 0.000 1.119 531 R CA 1.920 58.052 56.100 0.053 0.000 0.970 531 R CB -0.515 29.805 30.300 0.035 0.000 0.864 531 R HN 0.547 nan 8.270 nan 0.000 0.440 532 M N -0.026 119.631 119.600 0.096 0.000 2.080 532 M HA -0.176 4.304 4.480 -0.000 0.000 0.260 532 M C 2.283 178.613 176.300 0.051 0.000 1.068 532 M CA 2.221 57.571 55.300 0.082 0.000 1.109 532 M CB -0.356 32.278 32.600 0.057 0.000 1.342 532 M HN 0.266 nan 8.290 nan 0.000 0.405 533 E N 0.336 120.566 120.200 0.050 0.000 2.051 533 E HA -0.255 4.094 4.350 -0.000 0.000 0.192 533 E C 1.954 178.562 176.600 0.013 0.000 0.991 533 E CA 1.457 57.873 56.400 0.027 0.000 0.799 533 E CB 0.003 29.727 29.700 0.039 0.000 0.748 533 E HN 0.501 nan 8.360 nan 0.000 0.449 534 E N -0.144 120.069 120.200 0.023 0.000 2.031 534 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 534 E C 1.989 178.588 176.600 -0.002 0.000 0.994 534 E CA 1.009 57.415 56.400 0.010 0.000 0.800 534 E CB -0.168 29.542 29.700 0.015 0.000 0.752 534 E HN 0.311 nan 8.360 nan 0.000 0.447 535 A N 0.651 123.477 122.820 0.010 0.000 1.883 535 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 535 A C 2.523 180.087 177.584 -0.034 0.000 1.186 535 A CA 1.633 53.672 52.037 0.002 0.000 0.624 535 A CB -1.033 17.990 19.000 0.039 0.000 0.822 535 A HN 0.537 nan 8.150 nan 0.000 0.444 536 C N -0.455 118.823 119.300 -0.037 0.000 2.440 536 C HA -0.068 4.392 4.460 -0.000 0.000 0.278 536 C C 2.686 177.607 174.990 -0.114 0.000 1.295 536 C CA 1.005 59.956 59.018 -0.111 0.000 1.738 536 C CB -1.484 26.206 27.740 -0.085 0.000 1.987 536 C HN 0.630 nan 8.230 nan 0.000 0.492 537 N N 1.100 119.760 118.700 -0.067 0.000 2.120 537 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 537 N C 1.611 177.084 175.510 -0.060 0.000 1.024 537 N CA 1.079 54.094 53.050 -0.058 0.000 0.852 537 N CB -0.901 37.565 38.487 -0.034 0.000 1.003 537 N HN 0.661 nan 8.380 nan 0.000 0.424 538 N N 0.827 119.496 118.700 -0.053 0.000 2.166 538 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 538 N C 1.735 177.205 175.510 -0.068 0.000 1.019 538 N CA 0.575 53.595 53.050 -0.049 0.000 0.856 538 N CB 0.050 38.515 38.487 -0.037 0.000 0.993 538 N HN 0.169 nan 8.380 nan 0.000 0.426 539 L N 1.044 122.206 121.223 -0.101 0.000 2.056 539 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 539 L C 2.452 179.242 176.870 -0.134 0.000 1.078 539 L CA 1.081 55.838 54.840 -0.138 0.000 0.749 539 L CB -0.299 41.619 42.059 -0.236 0.000 0.901 539 L HN 0.092 nan 8.230 nan 0.000 0.433 540 K N 0.049 120.367 120.400 -0.136 0.000 2.152 540 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 540 K C 2.073 178.628 176.600 -0.074 0.000 1.048 540 K CA 1.420 57.641 56.287 -0.110 0.000 0.933 540 K CB -0.171 32.270 32.500 -0.099 0.000 0.721 540 K HN 0.316 nan 8.250 nan 0.000 0.447 541 A N 0.805 123.587 122.820 -0.063 0.000 2.030 541 A HA 0.012 4.331 4.320 -0.000 0.000 0.215 541 A C 1.453 179.014 177.584 -0.039 0.000 1.164 541 A CA 0.794 52.803 52.037 -0.045 0.000 0.697 541 A CB 0.154 19.131 19.000 -0.038 0.000 0.827 541 A HN 0.190 nan 8.150 nan 0.000 0.457 542 N N -1.114 117.561 118.700 -0.041 0.000 2.168 542 N HA 0.144 4.883 4.740 -0.000 0.000 0.216 542 N C -0.605 174.895 175.510 -0.018 0.000 1.259 542 N CA -0.215 52.819 53.050 -0.028 0.000 0.902 542 N CB 0.433 38.907 38.487 -0.023 0.000 1.079 542 N HN 0.202 nan 8.380 nan 0.000 0.507 543 L N 3.829 125.036 121.223 -0.026 0.000 2.490 543 L HA 0.166 4.506 4.340 -0.000 0.000 0.274 543 L C -1.740 175.127 176.870 -0.005 0.000 1.201 543 L CA -1.186 53.653 54.840 -0.001 0.000 0.869 543 L CB -0.496 41.547 42.059 -0.027 0.000 1.123 543 L HN 0.004 nan 8.230 nan 0.000 0.484 544 P HA -0.080 nan 4.420 nan 0.000 0.266 544 P C 0.627 177.917 177.300 -0.017 0.000 1.186 544 P CA 0.075 63.167 63.100 -0.014 0.000 0.767 544 P CB 0.446 32.131 31.700 -0.025 0.000 0.820 545 E N 1.843 122.028 120.200 -0.024 0.000 2.130 545 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 545 E C 1.621 178.207 176.600 -0.023 0.000 0.998 545 E CA 1.107 57.493 56.400 -0.024 0.000 0.806 545 E CB -0.198 29.488 29.700 -0.023 0.000 0.738 545 E HN 0.181 nan 8.360 nan 0.000 0.459 546 V N 0.395 120.291 119.914 -0.030 0.000 2.332 546 V HA -0.259 3.860 4.120 -0.000 0.000 0.248 546 V C 2.135 178.214 176.094 -0.025 0.000 1.055 546 V CA 2.298 64.576 62.300 -0.037 0.000 1.038 546 V CB -0.396 31.389 31.823 -0.064 0.000 0.651 546 V HN 0.484 nan 8.190 nan 0.000 0.450 547 A N -0.686 122.129 122.820 -0.008 0.000 1.898 547 A HA -0.058 4.262 4.320 -0.000 0.000 0.214 547 A C 2.074 179.656 177.584 -0.003 0.000 1.183 547 A CA 1.647 53.699 52.037 0.026 0.000 0.622 547 A CB -0.688 18.379 19.000 0.112 0.000 0.824 547 A HN 0.524 nan 8.150 nan 0.000 0.444 548 L N 0.351 121.562 121.223 -0.021 0.000 2.042 548 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 548 L C 2.112 178.956 176.870 -0.044 0.000 1.076 548 L CA 2.281 57.092 54.840 -0.050 0.000 0.749 548 L CB -0.617 41.412 42.059 -0.049 0.000 0.893 548 L HN 0.518 nan 8.230 nan 0.000 0.432 549 E N -0.871 119.315 120.200 -0.024 0.000 2.265 549 E HA -0.208 4.141 4.350 -0.000 0.000 0.196 549 E C 1.860 178.458 176.600 -0.004 0.000 0.996 549 E CA 1.132 57.526 56.400 -0.009 0.000 0.832 549 E CB 0.045 29.748 29.700 0.005 0.000 0.756 549 E HN 0.641 nan 8.360 nan 0.000 0.491 550 E N -0.785 119.399 120.200 -0.026 0.000 2.250 550 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 550 E C 1.741 178.227 176.600 -0.190 0.000 0.986 550 E CA 0.962 57.296 56.400 -0.109 0.000 0.849 550 E CB 0.355 30.003 29.700 -0.087 0.000 0.797 550 E HN 0.405 nan 8.360 nan 0.000 0.482 551 C N -0.581 118.664 119.300 -0.092 0.000 3.385 551 C HA 0.321 4.781 4.460 -0.000 0.000 0.288 551 C C 2.566 177.509 174.990 -0.080 0.000 1.429 551 C CA -0.128 58.859 59.018 -0.051 0.000 1.778 551 C CB -0.622 27.128 27.740 0.017 0.000 2.503 551 C HN 0.242 nan 8.230 nan 0.000 0.646 552 S N 2.533 118.188 115.700 -0.076 0.000 2.370 552 S HA -0.231 4.239 4.470 -0.000 0.000 0.226 552 S C 1.945 176.514 174.600 -0.052 0.000 1.033 552 S CA 1.440 59.591 58.200 -0.081 0.000 1.011 552 S CB -0.594 62.574 63.200 -0.055 0.000 0.852 552 S HN 0.766 nan 8.310 nan 0.000 0.457 553 R N 0.846 121.342 120.500 -0.005 0.000 2.115 553 R HA 0.057 4.397 4.340 -0.000 0.000 0.226 553 R C 2.639 178.960 176.300 0.035 0.000 1.100 553 R CA 1.464 57.581 56.100 0.028 0.000 0.980 553 R CB -0.294 30.057 30.300 0.085 0.000 0.875 553 R HN 0.456 nan 8.270 nan 0.000 0.445 554 Q N 0.423 120.259 119.800 0.060 0.000 2.187 554 Q HA -0.003 4.337 4.340 -0.000 0.000 0.199 554 Q C 1.993 178.110 176.000 0.194 0.000 0.957 554 Q CA 0.929 56.819 55.803 0.145 0.000 0.857 554 Q CB -0.029 28.854 28.738 0.241 0.000 0.929 554 Q HN 0.269 nan 8.270 nan 0.000 0.453 555 L N 0.509 121.716 121.223 -0.026 0.000 1.989 555 L HA -0.255 4.084 4.340 -0.000 0.000 0.211 555 L C 1.705 178.536 176.870 -0.064 0.000 1.071 555 L CA 1.322 56.041 54.840 -0.201 0.000 0.749 555 L CB -0.510 41.318 42.059 -0.385 0.000 0.890 555 L HN 0.220 nan 8.230 nan 0.000 0.431 556 D N -0.328 120.042 120.400 -0.050 0.000 2.133 556 D HA -0.241 4.398 4.640 -0.000 0.000 0.195 556 D C 2.053 178.348 176.300 -0.007 0.000 0.997 556 D CA 1.402 55.385 54.000 -0.027 0.000 0.840 556 D CB -0.064 40.724 40.800 -0.020 0.000 0.947 556 D HN 0.308 nan 8.370 nan 0.000 0.452 557 E N 0.153 120.361 120.200 0.012 0.000 2.051 557 E HA -0.152 4.197 4.350 -0.000 0.000 0.192 557 E C 1.992 178.597 176.600 0.009 0.000 0.991 557 E CA 0.591 56.999 56.400 0.014 0.000 0.799 557 E CB -0.315 29.398 29.700 0.021 0.000 0.748 557 E HN 0.109 nan 8.360 nan 0.000 0.449 558 L N 0.194 121.441 121.223 0.038 0.000 2.093 558 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 558 L C 2.054 178.907 176.870 -0.028 0.000 1.085 558 L CA 1.350 56.191 54.840 0.003 0.000 0.755 558 L CB -0.302 41.805 42.059 0.079 0.000 0.904 558 L HN 0.279 nan 8.230 nan 0.000 0.435 559 I N -1.262 119.299 120.570 -0.014 0.000 2.142 559 I HA -0.339 3.831 4.170 -0.000 0.000 0.240 559 I C 2.249 178.353 176.117 -0.023 0.000 1.078 559 I CA 1.793 63.082 61.300 -0.018 0.000 1.343 559 I CB -0.688 37.300 38.000 -0.021 0.000 1.046 559 I HN 0.210 nan 8.210 nan 0.000 0.405 560 T N 1.211 115.752 114.554 -0.022 0.000 2.699 560 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 560 T C 1.912 176.589 174.700 -0.039 0.000 1.036 560 T CA 1.407 63.493 62.100 -0.024 0.000 1.147 560 T CB -0.311 68.547 68.868 -0.017 0.000 0.862 560 T HN 0.236 nan 8.240 nan 0.000 0.446 561 L N 0.490 121.683 121.223 -0.050 0.000 2.056 561 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 561 L C 3.068 179.860 176.870 -0.131 0.000 1.078 561 L CA 1.103 55.898 54.840 -0.076 0.000 0.749 561 L CB -0.699 41.317 42.059 -0.071 0.000 0.901 561 L HN 0.236 nan 8.230 nan 0.000 0.433 562 A N -0.319 122.430 122.820 -0.119 0.000 1.908 562 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 562 A C 2.210 179.736 177.584 -0.097 0.000 1.181 562 A CA 1.758 53.724 52.037 -0.119 0.000 0.627 562 A CB -0.498 18.498 19.000 -0.007 0.000 0.818 562 A HN 0.481 nan 8.150 nan 0.000 0.445 563 Q N -1.021 118.750 119.800 -0.047 0.000 2.119 563 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 563 Q C 2.224 178.201 176.000 -0.038 0.000 0.972 563 Q CA 1.153 56.946 55.803 -0.017 0.000 0.847 563 Q CB -0.407 28.326 28.738 -0.008 0.000 0.903 563 Q HN 0.696 nan 8.270 nan 0.000 0.433 564 G N 0.861 109.620 108.800 -0.068 0.000 2.408 564 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 564 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 564 G C 0.876 175.712 174.900 -0.106 0.000 1.150 564 G CA 0.932 45.989 45.100 -0.071 0.000 0.776 564 G HN 0.227 nan 8.290 nan 0.000 0.542 565 D N 0.334 120.588 120.400 -0.243 0.000 2.117 565 D HA -0.077 4.563 4.640 -0.000 0.000 0.197 565 D C 2.297 178.418 176.300 -0.297 0.000 0.987 565 D CA 0.727 54.436 54.000 -0.486 0.000 0.829 565 D CB -0.116 39.765 40.800 -1.533 0.000 0.961 565 D HN 0.207 nan 8.370 nan 0.000 0.460 566 K N 1.165 121.490 120.400 -0.125 0.000 2.026 566 K HA -0.086 4.234 4.320 -0.000 0.000 0.208 566 K C 1.926 178.612 176.600 0.142 0.000 1.048 566 K CA 1.285 57.663 56.287 0.152 0.000 0.929 566 K CB -0.216 32.418 32.500 0.224 0.000 0.713 566 K HN 0.029 nan 8.250 nan 0.000 0.439 567 A N 0.691 123.551 122.820 0.067 0.000 1.972 567 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 567 A C 2.257 179.858 177.584 0.028 0.000 1.169 567 A CA 1.961 54.028 52.037 0.050 0.000 0.635 567 A CB -0.448 18.555 19.000 0.004 0.000 0.810 567 A HN 0.407 nan 8.150 nan 0.000 0.446 568 S N -0.016 115.688 115.700 0.006 0.000 2.368 568 S HA -0.083 4.386 4.470 -0.000 0.000 0.225 568 S C 1.814 176.435 174.600 0.036 0.000 1.030 568 S CA 1.366 59.555 58.200 -0.019 0.000 0.999 568 S CB -0.441 62.685 63.200 -0.124 0.000 0.844 568 S HN 0.538 nan 8.310 nan 0.000 0.459 569 L N 1.458 122.718 121.223 0.061 0.000 2.046 569 L HA -0.175 4.164 4.340 -0.000 0.000 0.208 569 L C 2.131 179.066 176.870 0.108 0.000 1.077 569 L CA 1.209 56.034 54.840 -0.024 0.000 0.747 569 L CB -0.805 40.979 42.059 -0.459 0.000 0.896 569 L HN 0.209 nan 8.230 nan 0.000 0.432 570 D N -0.182 120.332 120.400 0.191 0.000 2.149 570 D HA -0.216 4.424 4.640 -0.000 0.000 0.198 570 D C 2.298 178.698 176.300 0.166 0.000 0.990 570 D CA 1.376 55.506 54.000 0.217 0.000 0.839 570 D CB -0.127 40.777 40.800 0.172 0.000 0.948 570 D HN 0.301 nan 8.370 nan 0.000 0.460 571 M N -0.290 119.384 119.600 0.123 0.000 2.159 571 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 571 M C 2.182 178.679 176.300 0.328 0.000 1.063 571 M CA 0.983 56.393 55.300 0.184 0.000 1.110 571 M CB -0.100 32.545 32.600 0.076 0.000 1.374 571 M HN 0.003 nan 8.290 nan 0.000 0.411 572 I N -0.713 119.999 120.570 0.237 0.000 2.202 572 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 572 I C 2.262 178.502 176.117 0.204 0.000 1.091 572 I CA 0.995 62.434 61.300 0.231 0.000 1.368 572 I CB -0.342 37.727 38.000 0.115 0.000 1.058 572 I HN 0.027 nan 8.210 nan 0.000 0.410 573 V N 0.985 121.011 119.914 0.186 0.000 2.407 573 V HA -0.285 3.834 4.120 -0.000 0.000 0.248 573 V C 2.661 178.853 176.094 0.164 0.000 1.055 573 V CA 1.920 64.324 62.300 0.173 0.000 1.049 573 V CB -1.047 30.898 31.823 0.204 0.000 0.662 573 V HN 0.499 nan 8.190 nan 0.000 0.455 574 A N -0.840 122.097 122.820 0.194 0.000 1.930 574 A HA -0.251 4.068 4.320 -0.000 0.000 0.217 574 A C 2.192 179.874 177.584 0.163 0.000 1.175 574 A CA 1.695 53.846 52.037 0.190 0.000 0.627 574 A CB -0.380 18.768 19.000 0.248 0.000 0.815 574 A HN 0.628 nan 8.150 nan 0.000 0.443 575 Q N -0.533 119.374 119.800 0.177 0.000 2.083 575 Q HA -0.023 4.316 4.340 -0.000 0.000 0.198 575 Q C 2.043 178.089 176.000 0.077 0.000 0.969 575 Q CA 1.161 57.010 55.803 0.076 0.000 0.838 575 Q CB -0.282 28.505 28.738 0.082 0.000 0.900 575 Q HN 0.660 nan 8.270 nan 0.000 0.436 576 L N 0.953 122.243 121.223 0.113 0.000 2.083 576 L HA -0.196 4.143 4.340 -0.000 0.000 0.209 576 L C 1.508 178.421 176.870 0.071 0.000 1.083 576 L CA 0.791 55.688 54.840 0.094 0.000 0.752 576 L CB -0.279 41.843 42.059 0.104 0.000 0.899 576 L HN 0.246 nan 8.230 nan 0.000 0.433 577 N N 0.041 118.786 118.700 0.075 0.000 2.461 577 N HA -0.060 4.680 4.740 -0.000 0.000 0.188 577 N C -0.004 175.534 175.510 0.047 0.000 1.134 577 N CA 0.228 53.314 53.050 0.060 0.000 0.878 577 N CB 0.083 38.610 38.487 0.067 0.000 0.972 577 N HN 0.233 nan 8.380 nan 0.000 0.456 578 E N 0.287 120.512 120.200 0.041 0.000 2.476 578 E HA -0.200 4.150 4.350 -0.000 0.000 0.251 578 E C -0.895 175.723 176.600 0.030 0.000 1.130 578 E CA 0.329 56.741 56.400 0.020 0.000 0.736 578 E CB -1.120 28.587 29.700 0.011 0.000 1.298 578 E HN 0.249 nan 8.360 nan 0.000 0.400 579 D N 0.137 120.571 120.400 0.057 0.000 2.485 579 D HA 0.144 4.783 4.640 -0.000 0.000 0.221 579 D C 0.854 177.216 176.300 0.102 0.000 1.112 579 D CA -0.068 53.975 54.000 0.072 0.000 0.911 579 D CB 0.817 41.665 40.800 0.080 0.000 1.019 579 D HN -0.025 nan 8.370 nan 0.000 0.516 580 T N 2.363 116.963 114.554 0.077 0.000 2.746 580 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 580 T C 1.627 176.412 174.700 0.142 0.000 1.039 580 T CA 0.946 63.107 62.100 0.101 0.000 1.142 580 T CB 0.172 69.071 68.868 0.052 0.000 0.866 580 T HN 0.472 nan 8.240 nan 0.000 0.444 581 E N 0.759 121.016 120.200 0.095 0.000 2.038 581 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 581 E C 2.564 179.215 176.600 0.086 0.000 1.000 581 E CA 1.199 57.646 56.400 0.078 0.000 0.803 581 E CB -0.224 29.508 29.700 0.054 0.000 0.750 581 E HN 0.472 nan 8.360 nan 0.000 0.448 582 A N 0.334 123.211 122.820 0.095 0.000 1.972 582 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 582 A C 1.967 179.617 177.584 0.110 0.000 1.169 582 A CA 1.379 53.471 52.037 0.091 0.000 0.635 582 A CB -0.682 18.375 19.000 0.095 0.000 0.810 582 A HN 0.457 nan 8.150 nan 0.000 0.446 583 Y N 0.708 121.035 120.300 0.045 0.000 2.163 583 Y HA -0.149 4.401 4.550 -0.000 0.000 0.288 583 Y C 2.279 178.203 175.900 0.039 0.000 1.136 583 Y CA 2.017 60.147 58.100 0.049 0.000 1.147 583 Y CB -0.064 38.424 38.460 0.048 0.000 0.987 583 Y HN 0.298 nan 8.280 nan 0.000 0.509 584 E N -0.098 120.128 120.200 0.043 0.000 2.110 584 E HA -0.160 4.189 4.350 -0.000 0.000 0.193 584 E C 2.368 178.916 176.600 -0.087 0.000 0.988 584 E CA 1.372 57.747 56.400 -0.042 0.000 0.804 584 E CB -0.447 29.293 29.700 0.066 0.000 0.745 584 E HN 0.438 nan 8.360 nan 0.000 0.458 585 S N 0.744 116.419 115.700 -0.041 0.000 2.383 585 S HA -0.067 4.403 4.470 -0.000 0.000 0.227 585 S C 2.030 176.595 174.600 -0.060 0.000 1.026 585 S CA 0.941 59.121 58.200 -0.034 0.000 0.981 585 S CB -0.054 63.145 63.200 -0.002 0.000 0.818 585 S HN 0.398 nan 8.310 nan 0.000 0.472 586 A N 1.793 124.561 122.820 -0.087 0.000 1.872 586 A HA -0.069 4.250 4.320 -0.000 0.000 0.214 586 A C 1.985 179.480 177.584 -0.149 0.000 1.187 586 A CA 1.669 53.653 52.037 -0.088 0.000 0.614 586 A CB -0.545 18.419 19.000 -0.059 0.000 0.826 586 A HN 0.458 nan 8.150 nan 0.000 0.442 587 K N 0.069 120.295 120.400 -0.289 0.000 2.074 587 K HA -0.270 4.049 4.320 -0.000 0.000 0.209 587 K C 2.064 178.575 176.600 -0.148 0.000 1.048 587 K CA 1.999 58.114 56.287 -0.286 0.000 0.926 587 K CB -0.219 32.007 32.500 -0.456 0.000 0.713 587 K HN 0.654 nan 8.250 nan 0.000 0.444 588 E N 0.551 120.682 120.200 -0.115 0.000 2.058 588 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 588 E C 1.989 178.559 176.600 -0.051 0.000 0.997 588 E CA 1.603 57.965 56.400 -0.065 0.000 0.801 588 E CB -0.133 29.539 29.700 -0.046 0.000 0.746 588 E HN 0.434 nan 8.360 nan 0.000 0.450 589 I N 1.045 121.585 120.570 -0.051 0.000 2.202 589 I HA -0.220 3.949 4.170 -0.000 0.000 0.242 589 I C 2.707 178.800 176.117 -0.039 0.000 1.091 589 I CA 0.942 62.221 61.300 -0.035 0.000 1.368 589 I CB -0.463 37.524 38.000 -0.021 0.000 1.058 589 I HN 0.208 nan 8.210 nan 0.000 0.410 590 A N 0.275 123.063 122.820 -0.053 0.000 1.908 590 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 590 A C 2.246 179.801 177.584 -0.048 0.000 1.181 590 A CA 2.197 54.202 52.037 -0.054 0.000 0.627 590 A CB -0.673 18.284 19.000 -0.070 0.000 0.818 590 A HN 0.426 nan 8.150 nan 0.000 0.445 591 Q N 0.322 120.092 119.800 -0.050 0.000 2.079 591 Q HA -0.179 4.161 4.340 -0.000 0.000 0.200 591 Q C 1.911 177.894 176.000 -0.027 0.000 0.974 591 Q CA 2.121 57.902 55.803 -0.037 0.000 0.840 591 Q CB -0.477 28.238 28.738 -0.038 0.000 0.898 591 Q HN 0.750 nan 8.270 nan 0.000 0.430 592 N N -0.211 118.473 118.700 -0.027 0.000 2.036 592 N HA -0.210 4.530 4.740 -0.000 0.000 0.195 592 N C 1.300 176.799 175.510 -0.018 0.000 1.037 592 N CA 1.888 54.926 53.050 -0.019 0.000 0.855 592 N CB -0.070 38.406 38.487 -0.018 0.000 1.033 592 N HN 0.054 nan 8.380 nan 0.000 0.423 593 K N 0.063 120.450 120.400 -0.022 0.000 2.057 593 K HA -0.094 4.225 4.320 -0.000 0.000 0.207 593 K C 1.976 178.564 176.600 -0.020 0.000 1.049 593 K CA 0.639 56.913 56.287 -0.022 0.000 0.931 593 K CB -0.980 31.503 32.500 -0.028 0.000 0.714 593 K HN 0.293 nan 8.250 nan 0.000 0.440 594 L N 2.401 123.610 121.223 -0.022 0.000 2.012 594 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 594 L C 1.580 178.444 176.870 -0.011 0.000 1.073 594 L CA 1.817 56.648 54.840 -0.016 0.000 0.748 594 L CB -0.893 41.155 42.059 -0.018 0.000 0.891 594 L HN 0.121 nan 8.230 nan 0.000 0.431 595 N N -0.738 117.955 118.700 -0.011 0.000 2.104 595 N HA -0.205 4.535 4.740 -0.000 0.000 0.190 595 N C 1.933 177.440 175.510 -0.004 0.000 1.024 595 N CA 1.883 54.929 53.050 -0.007 0.000 0.853 595 N CB -0.819 37.664 38.487 -0.007 0.000 1.008 595 N HN 0.648 nan 8.380 nan 0.000 0.424 596 T N -0.820 113.731 114.554 -0.006 0.000 2.821 596 T HA 0.040 4.390 4.350 -0.000 0.000 0.267 596 T C 1.920 176.619 174.700 -0.002 0.000 1.046 596 T CA 1.390 63.488 62.100 -0.003 0.000 1.139 596 T CB -0.256 68.610 68.868 -0.004 0.000 0.871 596 T HN 0.174 nan 8.240 nan 0.000 0.454 597 A N 1.544 124.360 122.820 -0.006 0.000 1.902 597 A HA 0.171 4.491 4.320 -0.000 0.000 0.217 597 A C 2.505 180.084 177.584 -0.009 0.000 1.181 597 A CA 1.460 53.492 52.037 -0.008 0.000 0.623 597 A CB -0.871 18.123 19.000 -0.009 0.000 0.818 597 A HN 0.588 nan 8.150 nan 0.000 0.443 598 L N -0.784 120.437 121.223 -0.004 0.000 2.131 598 L HA -0.122 4.217 4.340 -0.000 0.000 0.210 598 L C 2.650 179.520 176.870 0.000 0.000 1.092 598 L CA 1.446 56.286 54.840 -0.001 0.000 0.759 598 L CB -0.435 41.626 42.059 0.003 0.000 0.903 598 L HN 0.324 nan 8.230 nan 0.000 0.435 599 S N -0.625 115.078 115.700 0.004 0.000 2.461 599 S HA -0.018 4.451 4.470 -0.000 0.000 0.228 599 S C 1.064 175.678 174.600 0.022 0.000 1.005 599 S CA 0.343 58.550 58.200 0.012 0.000 0.942 599 S CB 0.022 63.229 63.200 0.012 0.000 0.776 599 S HN 0.538 nan 8.310 nan 0.000 0.514 600 S N 0.520 116.231 115.700 0.017 0.000 2.610 600 S HA 0.366 4.835 4.470 -0.000 0.000 0.273 600 S C 0.631 175.259 174.600 0.047 0.000 1.274 600 S CA -0.712 57.514 58.200 0.043 0.000 1.023 600 S CB 0.489 63.710 63.200 0.034 0.000 0.962 600 S HN 0.279 nan 8.310 nan 0.000 0.523 601 F N 2.299 122.221 119.950 -0.046 0.000 2.126 601 F HA 0.096 4.622 4.527 -0.000 0.000 0.299 601 F C 1.374 177.115 175.800 -0.099 0.000 1.096 601 F CA 0.995 58.953 58.000 -0.069 0.000 1.255 601 F CB -0.893 38.075 39.000 -0.054 0.000 0.997 601 F HN 0.804 nan 8.300 nan 0.000 0.479 602 A N 0.822 123.563 122.820 -0.132 0.000 2.483 602 A HA 0.459 4.779 4.320 -0.000 0.000 0.238 602 A C -0.532 176.901 177.584 -0.250 0.000 1.070 602 A CA -0.036 51.872 52.037 -0.216 0.000 0.770 602 A CB 0.121 19.106 19.000 -0.025 0.000 1.008 602 A HN 0.129 nan 8.150 nan 0.000 0.497 603 V N 2.905 122.658 119.914 -0.269 0.000 2.686 603 V HA 0.671 4.791 4.120 -0.000 0.000 0.306 603 V C -0.366 175.686 176.094 -0.071 0.000 1.065 603 V CA -0.283 61.912 62.300 -0.175 0.000 0.894 603 V CB 1.521 33.178 31.823 -0.277 0.000 1.004 603 V HN 0.872 nan 8.190 nan 0.000 0.424 604 I N 2.537 123.101 120.570 -0.011 0.000 2.842 604 I HA 0.474 4.644 4.170 -0.000 0.000 0.297 604 I C 0.485 176.628 176.117 0.043 0.000 1.380 604 I CA -0.020 61.286 61.300 0.011 0.000 1.018 604 I CB 2.310 40.315 38.000 0.009 0.000 1.311 604 I HN 0.747 nan 8.210 nan 0.000 0.439 605 S N 2.792 118.533 115.700 0.069 0.000 3.581 605 S HA -0.195 4.275 4.470 -0.000 0.000 0.354 605 S C 1.081 175.734 174.600 0.088 0.000 1.059 605 S CA 1.537 59.807 58.200 0.117 0.000 1.060 605 S CB -0.869 62.459 63.200 0.213 0.000 0.908 605 S HN 0.847 nan 8.310 nan 0.000 0.475 606 E N 0.902 121.142 120.200 0.067 0.000 2.086 606 E HA -0.173 4.177 4.350 -0.000 0.000 0.200 606 E C 1.796 178.433 176.600 0.061 0.000 1.012 606 E CA 1.807 58.243 56.400 0.061 0.000 0.812 606 E CB -0.090 29.644 29.700 0.057 0.000 0.743 606 E HN 0.668 nan 8.360 nan 0.000 0.453 607 K N -0.312 120.119 120.400 0.052 0.000 2.404 607 K HA 0.110 4.430 4.320 -0.000 0.000 0.194 607 K C 0.730 177.383 176.600 0.088 0.000 1.023 607 K CA 0.032 56.352 56.287 0.055 0.000 1.094 607 K CB 0.760 33.274 32.500 0.023 0.000 0.841 607 K HN -0.028 nan 8.250 nan 0.000 0.523 608 V N -0.837 119.142 119.914 0.108 0.000 4.508 608 V HA 0.116 4.236 4.120 -0.000 0.000 0.169 608 V C 1.709 177.912 176.094 0.182 0.000 1.084 608 V CA 0.653 63.036 62.300 0.137 0.000 1.371 608 V CB -0.451 31.433 31.823 0.101 0.000 1.878 608 V HN 0.091 nan 8.190 nan 0.000 0.506 609 A N -0.446 122.484 122.820 0.182 0.000 1.933 609 A HA -0.266 4.053 4.320 -0.000 0.000 0.218 609 A C 2.127 179.763 177.584 0.087 0.000 1.175 609 A CA 2.450 54.547 52.037 0.100 0.000 0.628 609 A CB -0.593 18.408 19.000 0.002 0.000 0.814 609 A HN 0.652 nan 8.150 nan 0.000 0.444 610 Q N -0.668 119.183 119.800 0.085 0.000 2.020 610 Q HA -0.129 4.210 4.340 -0.000 0.000 0.198 610 Q C 2.337 178.391 176.000 0.089 0.000 0.974 610 Q CA 1.728 57.569 55.803 0.064 0.000 0.829 610 Q CB -0.297 28.470 28.738 0.048 0.000 0.894 610 Q HN 0.565 nan 8.270 nan 0.000 0.433 611 S N -0.158 115.611 115.700 0.114 0.000 2.400 611 S HA -0.162 4.308 4.470 -0.000 0.000 0.232 611 S C 1.628 176.335 174.600 0.178 0.000 1.025 611 S CA 1.020 59.291 58.200 0.118 0.000 0.993 611 S CB -0.500 62.768 63.200 0.114 0.000 0.808 611 S HN 0.520 nan 8.310 nan 0.000 0.478 612 F N 2.027 122.032 119.950 0.091 0.000 2.171 612 F HA -0.018 4.508 4.527 -0.000 0.000 0.300 612 F C 1.675 177.559 175.800 0.140 0.000 1.090 612 F CA 1.344 59.443 58.000 0.165 0.000 1.293 612 F CB -0.382 38.684 39.000 0.109 0.000 1.013 612 F HN 0.245 nan 8.300 nan 0.000 0.486 613 I N 0.188 120.769 120.570 0.019 0.000 2.179 613 I HA -0.335 3.835 4.170 -0.000 0.000 0.242 613 I C 2.406 178.470 176.117 -0.087 0.000 1.088 613 I CA 1.491 62.743 61.300 -0.081 0.000 1.357 613 I CB -0.837 37.145 38.000 -0.031 0.000 1.051 613 I HN 0.201 nan 8.210 nan 0.000 0.409 614 Q N 0.980 120.754 119.800 -0.044 0.000 2.061 614 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 614 Q C 2.082 178.019 176.000 -0.105 0.000 0.984 614 Q CA 1.829 57.600 55.803 -0.053 0.000 0.846 614 Q CB -0.468 28.255 28.738 -0.025 0.000 0.902 614 Q HN 0.586 nan 8.270 nan 0.000 0.421 615 E N 1.149 121.267 120.200 -0.137 0.000 2.070 615 E HA -0.218 4.131 4.350 -0.000 0.000 0.197 615 E C 2.056 178.395 176.600 -0.435 0.000 1.004 615 E CA 1.275 57.482 56.400 -0.323 0.000 0.805 615 E CB -0.231 29.291 29.700 -0.297 0.000 0.744 615 E HN 0.420 nan 8.360 nan 0.000 0.451 616 A N 0.919 123.577 122.820 -0.270 0.000 1.930 616 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 616 A C 2.202 179.796 177.584 0.016 0.000 1.175 616 A CA 0.889 52.884 52.037 -0.071 0.000 0.627 616 A CB -0.579 18.361 19.000 -0.100 0.000 0.815 616 A HN 0.122 nan 8.150 nan 0.000 0.443 617 L N -0.218 120.981 121.223 -0.039 0.000 2.042 617 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 617 L C 2.535 179.416 176.870 0.018 0.000 1.076 617 L CA 1.637 56.475 54.840 -0.002 0.000 0.749 617 L CB -0.325 41.715 42.059 -0.032 0.000 0.893 617 L HN 0.305 nan 8.230 nan 0.000 0.432 618 S N -1.173 114.505 115.700 -0.037 0.000 2.561 618 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 618 S C 0.406 174.981 174.600 -0.040 0.000 0.977 618 S CA 0.001 58.172 58.200 -0.049 0.000 0.926 618 S CB -0.265 62.883 63.200 -0.088 0.000 0.769 618 S HN 0.185 nan 8.310 nan 0.000 0.533 619 F N 2.810 122.654 119.950 -0.176 0.000 2.384 619 F HA 0.445 4.972 4.527 -0.000 0.000 0.338 619 F C -0.263 175.517 175.800 -0.033 0.000 1.103 619 F CA -0.788 57.114 58.000 -0.165 0.000 1.157 619 F CB 0.782 39.623 39.000 -0.266 0.000 1.167 619 F HN -0.136 nan 8.300 nan 0.000 0.529 620 D N 6.208 126.114 120.400 -0.824 0.000 2.402 620 D HA 0.092 4.732 4.640 -0.000 0.000 0.252 620 D C 0.461 176.337 176.300 -0.707 0.000 1.294 620 D CA -0.328 53.355 54.000 -0.529 0.000 0.948 620 D CB 1.283 41.896 40.800 -0.312 0.000 1.202 620 D HN 0.744 nan 8.370 nan 0.000 0.561 621 L N 3.146 124.116 121.223 -0.422 0.000 2.127 621 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 621 L C 2.014 178.800 176.870 -0.140 0.000 1.089 621 L CA 2.069 56.811 54.840 -0.163 0.000 0.757 621 L CB -0.092 42.042 42.059 0.126 0.000 0.899 621 L HN 0.543 nan 8.230 nan 0.000 0.434 622 T N -2.950 111.510 114.554 -0.157 0.000 3.051 622 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 622 T C 1.560 176.195 174.700 -0.109 0.000 1.127 622 T CA 0.891 62.924 62.100 -0.112 0.000 1.107 622 T CB -0.430 68.369 68.868 -0.116 0.000 0.898 622 T HN 0.423 nan 8.240 nan 0.000 0.517 623 L N -0.459 120.671 121.223 -0.154 0.000 2.567 623 L HA 0.432 4.772 4.340 -0.000 0.000 0.225 623 L C 0.989 177.802 176.870 -0.095 0.000 1.119 623 L CA -0.104 54.659 54.840 -0.129 0.000 0.871 623 L CB -0.292 41.670 42.059 -0.162 0.000 1.036 623 L HN 0.250 nan 8.230 nan 0.000 0.459 624 I N 0.000 120.520 120.570 -0.084 0.000 2.984 624 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 624 I CA 0.000 61.285 61.300 -0.025 0.000 1.566 624 I CB 0.000 38.014 38.000 0.024 0.000 1.214 624 I HN 0.000 nan 8.210 nan 0.000 0.494