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 2x0y_1_A DATA FIRST_RESID 41 DATA SEQUENCE VLVPNLNPTP ENLEVVGDGF KITSSINLVG EEEADENAVN ALREFLTANN DATA SEQUENCE IEINSENDPN STTLIIGEVD DDIPELDEAL NGTTAENLKE EGYALVSNDG DATA SEQUENCE KIAIEGKDGD GTFYGVQTFK QLVKESNIPE VNITDYPTVS ARGIVEGFYG DATA SEQUENCE TPWTHQDRLD QIKFYGENKL NTYIYAPKDD 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 0.000 176.084 176.094 -0.017 0.000 1.182 41 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 41 V CB 0.000 31.821 31.823 -0.004 0.000 1.184 42 L N 1.958 123.169 121.223 -0.020 0.000 2.357 42 L HA 0.549 4.885 4.340 -0.006 0.000 0.273 42 L C -0.232 176.623 176.870 -0.026 0.000 1.080 42 L CA -0.639 54.190 54.840 -0.018 0.000 0.803 42 L CB 1.743 43.793 42.059 -0.016 0.000 1.174 42 L HN 0.083 nan 8.230 nan 0.000 0.443 43 V N 3.453 123.355 119.914 -0.020 0.000 2.439 43 V HA 0.113 4.230 4.120 -0.006 0.000 0.271 43 V C -1.714 174.365 176.094 -0.026 0.000 1.040 43 V CA -1.190 61.096 62.300 -0.024 0.000 1.002 43 V CB 0.241 32.056 31.823 -0.014 0.000 1.000 43 V HN 0.660 nan 8.190 nan 0.000 0.477 44 P HA 0.127 nan 4.420 nan 0.000 0.271 44 P C -0.054 177.231 177.300 -0.025 0.000 1.233 44 P CA -0.540 62.540 63.100 -0.033 0.000 0.789 44 P CB 0.327 31.998 31.700 -0.048 0.000 0.951 45 N N 0.891 119.581 118.700 -0.015 0.000 2.357 45 N HA 0.024 4.761 4.740 -0.006 0.000 0.257 45 N C -0.432 175.076 175.510 -0.004 0.000 1.250 45 N CA 0.600 53.650 53.050 -0.000 0.000 0.862 45 N CB -0.088 38.407 38.487 0.013 0.000 1.066 45 N HN 0.288 nan 8.380 nan 0.000 0.468 46 L N 2.048 123.268 121.223 -0.004 0.000 2.346 46 L HA 0.469 4.805 4.340 -0.006 0.000 0.274 46 L C 0.017 176.869 176.870 -0.031 0.000 1.007 46 L CA -0.863 53.958 54.840 -0.031 0.000 0.818 46 L CB 1.780 43.814 42.059 -0.042 0.000 1.284 46 L HN 0.457 nan 8.230 nan 0.000 0.424 47 N N 2.083 120.725 118.700 -0.097 0.000 2.478 47 N HA 0.464 5.201 4.740 -0.006 0.000 0.291 47 N C -2.880 172.431 175.510 -0.331 0.000 1.090 47 N CA -1.179 51.759 53.050 -0.186 0.000 0.911 47 N CB 2.792 41.129 38.487 -0.251 0.000 1.546 47 N HN 0.127 nan 8.380 nan 0.000 0.500 48 P HA 0.155 nan 4.420 nan 0.000 0.272 48 P C -0.630 176.563 177.300 -0.178 0.000 1.240 48 P CA -0.198 62.727 63.100 -0.291 0.000 0.791 48 P CB 0.381 31.802 31.700 -0.465 0.000 0.978 49 T N 3.443 117.985 114.554 -0.020 0.000 2.829 49 T HA 0.143 4.489 4.350 -0.006 0.000 0.293 49 T C -2.132 172.611 174.700 0.071 0.000 0.970 49 T CA -0.473 61.642 62.100 0.025 0.000 1.168 49 T CB -0.722 68.182 68.868 0.059 0.000 0.911 49 T HN 0.302 nan 8.240 nan 0.000 0.535 50 P HA 0.211 nan 4.420 nan 0.000 0.275 50 P C 0.831 178.147 177.300 0.026 0.000 1.228 50 P CA -0.405 62.753 63.100 0.096 0.000 0.786 50 P CB 0.757 32.494 31.700 0.063 0.000 0.927 51 E N 2.458 122.618 120.200 -0.066 0.000 2.049 51 E HA -0.162 4.184 4.350 -0.006 0.000 0.198 51 E C -0.009 176.525 176.600 -0.111 0.000 1.007 51 E CA 1.771 58.044 56.400 -0.213 0.000 0.809 51 E CB -0.143 29.195 29.700 -0.603 0.000 0.749 51 E HN 0.396 nan 8.360 nan 0.000 0.450 52 N N 0.030 118.680 118.700 -0.085 0.000 2.399 52 N HA 0.334 5.071 4.740 -0.006 0.000 0.284 52 N C -1.331 174.172 175.510 -0.012 0.000 1.025 52 N CA -0.390 52.640 53.050 -0.032 0.000 0.885 52 N CB 1.988 40.469 38.487 -0.011 0.000 1.339 52 N HN 0.103 nan 8.380 nan 0.000 0.487 53 L N 1.742 122.965 121.223 0.001 0.000 2.516 53 L HA 0.390 4.727 4.340 -0.006 0.000 0.267 53 L C -1.198 175.681 176.870 0.015 0.000 0.957 53 L CA -0.620 54.228 54.840 0.014 0.000 0.860 53 L CB 1.760 43.829 42.059 0.017 0.000 1.265 53 L HN 0.554 nan 8.230 nan 0.000 0.403 54 E N 4.301 124.514 120.200 0.021 0.000 2.248 54 E HA 0.530 4.877 4.350 -0.006 0.000 0.267 54 E C -1.616 174.999 176.600 0.026 0.000 0.877 54 E CA -0.757 55.656 56.400 0.020 0.000 0.759 54 E CB 2.203 31.915 29.700 0.020 0.000 1.182 54 E HN 0.288 nan 8.360 nan 0.000 0.418 55 V N 4.505 124.432 119.914 0.022 0.000 2.470 55 V HA 0.110 4.226 4.120 -0.006 0.000 0.276 55 V C 0.483 176.596 176.094 0.030 0.000 1.040 55 V CA -0.363 61.952 62.300 0.025 0.000 1.008 55 V CB 1.054 32.888 31.823 0.018 0.000 0.990 55 V HN 0.762 nan 8.190 nan 0.000 0.477 56 V N 4.204 124.142 119.914 0.041 0.000 3.276 56 V HA 0.672 4.789 4.120 -0.006 0.000 0.319 56 V C 0.785 176.911 176.094 0.053 0.000 1.427 56 V CA 1.132 63.458 62.300 0.044 0.000 1.102 56 V CB 0.069 31.921 31.823 0.048 0.000 1.020 56 V HN 1.046 nan 8.190 nan 0.000 0.456 57 G N -0.783 108.050 108.800 0.056 0.000 2.500 57 G HA2 0.273 4.230 3.960 -0.006 0.000 0.299 57 G HA3 0.273 4.230 3.960 -0.006 0.000 0.299 57 G C -1.104 173.831 174.900 0.059 0.000 1.242 57 G CA 0.258 45.398 45.100 0.066 0.000 0.859 57 G HN -0.021 nan 8.290 nan 0.000 0.481 58 D N 0.164 120.608 120.400 0.073 0.000 2.469 58 D HA 0.428 5.064 4.640 -0.006 0.000 0.215 58 D C 1.209 177.547 176.300 0.063 0.000 1.154 58 D CA 1.039 55.073 54.000 0.057 0.000 0.832 58 D CB 1.001 41.831 40.800 0.050 0.000 1.008 58 D HN 1.310 nan 8.370 nan 0.000 0.506 59 G N 1.350 110.207 108.800 0.095 0.000 2.814 59 G HA2 -0.074 3.882 3.960 -0.006 0.000 0.677 59 G HA3 -0.074 3.882 3.960 -0.006 0.000 0.677 59 G C -0.418 174.575 174.900 0.154 0.000 1.429 59 G CA -0.347 44.774 45.100 0.035 0.000 0.868 59 G HN 0.245 nan 8.290 nan 0.000 0.553 60 F N -2.331 117.639 119.950 0.033 0.000 2.715 60 F HA 0.872 5.395 4.527 -0.006 0.000 0.318 60 F C -0.372 175.449 175.800 0.035 0.000 1.141 60 F CA -1.374 56.645 58.000 0.031 0.000 0.950 60 F CB 1.763 40.783 39.000 0.033 0.000 1.374 60 F HN 0.621 nan 8.300 nan 0.000 0.477 61 K N 1.989 122.548 120.400 0.265 0.000 2.234 61 K HA 0.559 4.876 4.320 -0.006 0.000 0.277 61 K C -0.943 175.819 176.600 0.271 0.000 1.038 61 K CA -0.479 55.902 56.287 0.157 0.000 0.888 61 K CB 0.713 33.275 32.500 0.103 0.000 1.091 61 K HN 0.710 nan 8.250 nan 0.000 0.467 62 I N 4.765 125.458 120.570 0.206 0.000 2.598 62 I HA -0.050 4.117 4.170 -0.006 0.000 0.284 62 I C 1.090 177.296 176.117 0.150 0.000 1.140 62 I CA -0.096 61.350 61.300 0.243 0.000 1.420 62 I CB 0.771 38.904 38.000 0.220 0.000 1.387 62 I HN 0.760 nan 8.210 nan 0.000 0.553 63 T N 1.731 116.365 114.554 0.134 0.000 2.724 63 T HA 0.017 4.364 4.350 -0.006 0.000 0.324 63 T C 1.184 175.922 174.700 0.062 0.000 1.071 63 T CA -0.575 61.574 62.100 0.080 0.000 1.061 63 T CB 0.772 69.677 68.868 0.061 0.000 0.990 63 T HN 0.601 nan 8.240 nan 0.000 0.543 64 S N 0.315 116.038 115.700 0.039 0.000 2.453 64 S HA 0.116 4.583 4.470 -0.006 0.000 0.231 64 S C 0.969 175.584 174.600 0.024 0.000 1.005 64 S CA 0.409 58.623 58.200 0.023 0.000 0.949 64 S CB -0.143 63.064 63.200 0.011 0.000 0.774 64 S HN 0.798 nan 8.310 nan 0.000 0.510 65 S N 0.153 115.871 115.700 0.030 0.000 2.548 65 S HA 0.730 5.196 4.470 -0.006 0.000 0.286 65 S C -0.980 173.644 174.600 0.040 0.000 1.098 65 S CA -0.958 57.260 58.200 0.030 0.000 0.930 65 S CB 0.758 63.969 63.200 0.019 0.000 1.070 65 S HN 0.255 nan 8.310 nan 0.000 0.480 66 I N 1.164 121.759 120.570 0.043 0.000 3.042 66 I HA 0.656 4.822 4.170 -0.006 0.000 0.310 66 I C -0.822 175.313 176.117 0.030 0.000 1.117 66 I CA -0.912 60.416 61.300 0.048 0.000 1.003 66 I CB 1.528 39.572 38.000 0.074 0.000 1.228 66 I HN 0.361 nan 8.210 nan 0.000 0.443 67 N N 3.754 122.468 118.700 0.022 0.000 2.414 67 N HA 0.374 5.110 4.740 -0.006 0.000 0.256 67 N C -1.142 174.371 175.510 0.005 0.000 1.029 67 N CA -0.205 52.851 53.050 0.010 0.000 0.948 67 N CB 1.762 40.251 38.487 0.003 0.000 1.102 67 N HN 0.623 nan 8.380 nan 0.000 0.496 68 L N 2.888 124.113 121.223 0.004 0.000 2.264 68 L HA 0.378 4.715 4.340 -0.006 0.000 0.289 68 L C -0.806 176.059 176.870 -0.007 0.000 1.044 68 L CA -0.674 54.164 54.840 -0.003 0.000 0.807 68 L CB 0.991 43.053 42.059 0.003 0.000 1.192 68 L HN 0.129 nan 8.230 nan 0.000 0.425 69 V N 3.784 123.689 119.914 -0.015 0.000 2.407 69 V HA 0.591 4.708 4.120 -0.006 0.000 0.291 69 V C 0.674 176.759 176.094 -0.015 0.000 1.018 69 V CA 0.280 62.572 62.300 -0.013 0.000 0.842 69 V CB 1.156 32.971 31.823 -0.013 0.000 0.996 69 V HN 1.027 nan 8.190 nan 0.000 0.426 70 G N 3.948 112.742 108.800 -0.009 0.000 2.201 70 G HA2 -0.205 3.752 3.960 -0.006 0.000 0.212 70 G HA3 -0.205 3.752 3.960 -0.006 0.000 0.212 70 G C 0.627 175.523 174.900 -0.006 0.000 0.994 70 G CA 0.294 45.390 45.100 -0.008 0.000 0.644 70 G HN 0.826 nan 8.290 nan 0.000 0.508 71 E N 0.378 120.574 120.200 -0.006 0.000 2.301 71 E HA -0.178 4.169 4.350 -0.006 0.000 0.202 71 E C 1.626 178.227 176.600 0.003 0.000 1.017 71 E CA 1.533 57.931 56.400 -0.002 0.000 0.831 71 E CB -0.108 29.593 29.700 0.001 0.000 0.742 71 E HN 0.497 nan 8.360 nan 0.000 0.491 72 E N 0.236 120.438 120.200 0.002 0.000 2.431 72 E HA 0.016 4.363 4.350 -0.006 0.000 0.200 72 E C 1.295 177.898 176.600 0.005 0.000 0.995 72 E CA 0.441 56.844 56.400 0.004 0.000 0.915 72 E CB 0.389 30.091 29.700 0.003 0.000 0.930 72 E HN 0.328 nan 8.360 nan 0.000 0.496 73 E N 1.180 121.382 120.200 0.004 0.000 2.216 73 E HA 0.157 4.504 4.350 -0.006 0.000 0.192 73 E C 0.735 177.339 176.600 0.007 0.000 0.973 73 E CA 0.402 56.805 56.400 0.006 0.000 0.851 73 E CB 0.127 29.830 29.700 0.005 0.000 0.804 73 E HN 0.129 nan 8.360 nan 0.000 0.477 74 A N 1.247 124.071 122.820 0.006 0.000 2.327 74 A HA 0.045 4.362 4.320 -0.006 0.000 0.255 74 A C 0.256 177.847 177.584 0.012 0.000 1.099 74 A CA -0.400 51.641 52.037 0.007 0.000 0.801 74 A CB 0.087 19.087 19.000 -0.000 0.000 1.062 74 A HN 0.115 nan 8.150 nan 0.000 0.496 75 D N 0.058 120.468 120.400 0.017 0.000 2.487 75 D HA -0.064 4.572 4.640 -0.006 0.000 0.243 75 D C 0.986 177.303 176.300 0.028 0.000 1.154 75 D CA 0.408 54.420 54.000 0.021 0.000 0.876 75 D CB 0.581 41.397 40.800 0.026 0.000 1.161 75 D HN 0.677 nan 8.370 nan 0.000 0.478 76 E N 3.466 123.679 120.200 0.021 0.000 2.085 76 E HA -0.245 4.102 4.350 -0.006 0.000 0.194 76 E C 1.274 177.901 176.600 0.046 0.000 0.994 76 E CA 1.300 57.715 56.400 0.024 0.000 0.801 76 E CB 0.146 29.853 29.700 0.012 0.000 0.743 76 E HN 0.596 nan 8.360 nan 0.000 0.453 77 N N -0.007 118.724 118.700 0.052 0.000 2.166 77 N HA -0.147 4.590 4.740 -0.006 0.000 0.186 77 N C 1.817 177.479 175.510 0.254 0.000 1.019 77 N CA 1.018 54.132 53.050 0.106 0.000 0.856 77 N CB -0.132 38.355 38.487 -0.001 0.000 0.993 77 N HN 0.144 nan 8.380 nan 0.000 0.426 78 A N 0.700 123.653 122.820 0.222 0.000 1.873 78 A HA -0.072 4.245 4.320 -0.006 0.000 0.215 78 A C 2.364 179.973 177.584 0.043 0.000 1.186 78 A CA 1.102 53.224 52.037 0.143 0.000 0.616 78 A CB -0.740 18.301 19.000 0.067 0.000 0.823 78 A HN 0.100 nan 8.150 nan 0.000 0.442 79 V N 1.007 120.946 119.914 0.042 0.000 2.427 79 V HA -0.275 3.841 4.120 -0.006 0.000 0.248 79 V C 2.147 178.266 176.094 0.042 0.000 1.051 79 V CA 2.114 64.430 62.300 0.026 0.000 1.048 79 V CB -1.068 30.767 31.823 0.020 0.000 0.666 79 V HN 0.610 nan 8.190 nan 0.000 0.456 80 N N 0.172 118.907 118.700 0.059 0.000 2.244 80 N HA -0.127 4.609 4.740 -0.006 0.000 0.183 80 N C 1.946 177.500 175.510 0.074 0.000 1.016 80 N CA 1.157 54.244 53.050 0.063 0.000 0.866 80 N CB -0.131 38.394 38.487 0.064 0.000 0.980 80 N HN 0.506 nan 8.380 nan 0.000 0.430 81 A N 1.547 124.416 122.820 0.080 0.000 1.873 81 A HA -0.111 4.206 4.320 -0.006 0.000 0.215 81 A C 2.161 179.770 177.584 0.042 0.000 1.186 81 A CA 0.865 52.925 52.037 0.038 0.000 0.616 81 A CB -0.710 18.232 19.000 -0.098 0.000 0.823 81 A HN 0.206 nan 8.150 nan 0.000 0.442 82 L N 0.123 121.367 121.223 0.035 0.000 1.989 82 L HA -0.184 4.152 4.340 -0.006 0.000 0.211 82 L C 2.488 179.460 176.870 0.170 0.000 1.071 82 L CA 2.162 57.066 54.840 0.107 0.000 0.749 82 L CB -0.653 41.436 42.059 0.051 0.000 0.890 82 L HN 0.372 nan 8.230 nan 0.000 0.431 83 R N -0.471 120.091 120.500 0.103 0.000 2.091 83 R HA -0.185 4.152 4.340 -0.006 0.000 0.238 83 R C 2.179 178.530 176.300 0.085 0.000 1.136 83 R CA 1.817 57.968 56.100 0.085 0.000 0.959 83 R CB -0.461 29.871 30.300 0.053 0.000 0.856 83 R HN 0.546 nan 8.270 nan 0.000 0.437 84 E N -0.221 120.033 120.200 0.090 0.000 2.153 84 E HA -0.198 4.148 4.350 -0.006 0.000 0.194 84 E C 1.620 178.277 176.600 0.096 0.000 0.988 84 E CA 1.027 57.471 56.400 0.074 0.000 0.811 84 E CB -0.112 29.630 29.700 0.070 0.000 0.746 84 E HN 0.229 nan 8.360 nan 0.000 0.466 85 F N 1.263 121.209 119.950 -0.006 0.000 2.060 85 F HA -0.142 4.382 4.527 -0.006 0.000 0.295 85 F C 1.886 177.683 175.800 -0.005 0.000 1.120 85 F CA 1.273 59.263 58.000 -0.017 0.000 1.205 85 F CB -0.246 38.745 39.000 -0.015 0.000 0.986 85 F HN -0.109 nan 8.300 nan 0.000 0.470 86 L N -0.303 120.959 121.223 0.065 0.000 2.012 86 L HA -0.266 4.071 4.340 -0.006 0.000 0.210 86 L C 2.348 179.153 176.870 -0.109 0.000 1.073 86 L CA 1.915 56.730 54.840 -0.042 0.000 0.748 86 L CB -1.490 40.636 42.059 0.112 0.000 0.891 86 L HN 0.163 nan 8.230 nan 0.000 0.431 87 T N 0.064 114.587 114.554 -0.051 0.000 2.699 87 T HA -0.246 4.101 4.350 -0.006 0.000 0.268 87 T C 1.897 176.537 174.700 -0.101 0.000 1.036 87 T CA 1.610 63.677 62.100 -0.056 0.000 1.147 87 T CB -0.290 68.564 68.868 -0.023 0.000 0.862 87 T HN 0.492 nan 8.240 nan 0.000 0.446 88 A N 1.425 124.157 122.820 -0.146 0.000 2.067 88 A HA 0.044 4.361 4.320 -0.006 0.000 0.217 88 A C 1.908 179.351 177.584 -0.234 0.000 1.156 88 A CA 0.720 52.657 52.037 -0.167 0.000 0.683 88 A CB -0.127 18.782 19.000 -0.151 0.000 0.808 88 A HN 0.429 nan 8.150 nan 0.000 0.455 89 N N 0.713 119.209 118.700 -0.340 0.000 2.214 89 N HA 0.011 4.747 4.740 -0.006 0.000 0.214 89 N C -0.748 174.642 175.510 -0.201 0.000 1.132 89 N CA -0.073 52.773 53.050 -0.341 0.000 0.856 89 N CB 0.154 38.277 38.487 -0.606 0.000 1.020 89 N HN 0.326 nan 8.380 nan 0.000 0.509 90 N N 0.983 119.596 118.700 -0.144 0.000 2.727 90 N HA -0.180 4.556 4.740 -0.006 0.000 0.251 90 N C -0.855 174.618 175.510 -0.062 0.000 1.040 90 N CA 0.750 53.748 53.050 -0.085 0.000 0.712 90 N CB -1.400 37.045 38.487 -0.070 0.000 0.912 90 N HN 0.421 nan 8.380 nan 0.000 0.545 91 I N 0.591 121.127 120.570 -0.057 0.000 2.390 91 I HA 0.162 4.329 4.170 -0.006 0.000 0.283 91 I C 0.555 176.675 176.117 0.005 0.000 1.016 91 I CA -0.619 60.673 61.300 -0.013 0.000 1.151 91 I CB 1.309 39.316 38.000 0.012 0.000 1.293 91 I HN -0.128 nan 8.210 nan 0.000 0.458 92 E N 5.570 125.775 120.200 0.008 0.000 2.345 92 E HA 0.394 4.741 4.350 -0.006 0.000 0.259 92 E C -0.504 176.109 176.600 0.022 0.000 1.117 92 E CA -0.555 55.852 56.400 0.011 0.000 0.913 92 E CB 1.614 31.317 29.700 0.005 0.000 1.057 92 E HN 0.318 nan 8.360 nan 0.000 0.432 93 I N 1.553 122.134 120.570 0.019 0.000 2.336 93 I HA 0.153 4.320 4.170 -0.006 0.000 0.292 93 I C 0.293 176.418 176.117 0.015 0.000 0.991 93 I CA -0.658 60.655 61.300 0.021 0.000 1.227 93 I CB 0.323 38.335 38.000 0.019 0.000 1.366 93 I HN 0.023 nan 8.210 nan 0.000 0.466 94 N N 3.781 122.490 118.700 0.015 0.000 2.452 94 N HA 0.041 4.778 4.740 -0.006 0.000 0.266 94 N C 1.105 176.619 175.510 0.007 0.000 1.175 94 N CA 0.080 53.136 53.050 0.010 0.000 0.945 94 N CB 1.274 39.767 38.487 0.010 0.000 1.063 94 N HN 0.787 nan 8.380 nan 0.000 0.472 95 S N 1.272 116.975 115.700 0.005 0.000 2.428 95 S HA -0.004 4.463 4.470 -0.006 0.000 0.230 95 S C 0.389 174.990 174.600 0.003 0.000 1.014 95 S CA 0.717 58.919 58.200 0.004 0.000 0.957 95 S CB 0.276 63.478 63.200 0.003 0.000 0.784 95 S HN 0.549 nan 8.310 nan 0.000 0.499 96 E N 1.309 121.511 120.200 0.002 0.000 2.293 96 E HA 0.382 4.728 4.350 -0.006 0.000 0.270 96 E C -1.181 175.420 176.600 0.001 0.000 0.879 96 E CA -0.770 55.630 56.400 0.001 0.000 0.756 96 E CB 1.306 31.007 29.700 0.001 0.000 1.208 96 E HN 0.173 nan 8.360 nan 0.000 0.428 97 N N 1.379 120.079 118.700 -0.000 0.000 2.267 97 N HA -0.025 4.712 4.740 -0.006 0.000 0.226 97 N C -1.010 174.499 175.510 -0.002 0.000 1.314 97 N CA 0.927 53.976 53.050 -0.001 0.000 0.887 97 N CB 0.448 38.932 38.487 -0.004 0.000 1.120 97 N HN 0.421 nan 8.380 nan 0.000 0.440 98 D N -0.405 119.993 120.400 -0.004 0.000 2.301 98 D HA 0.106 4.743 4.640 -0.006 0.000 0.187 98 D C -2.510 173.784 176.300 -0.009 0.000 1.264 98 D CA -0.983 53.014 54.000 -0.005 0.000 0.849 98 D CB 1.197 41.996 40.800 -0.001 0.000 1.828 98 D HN 0.272 nan 8.370 nan 0.000 0.526 99 P HA -0.081 nan 4.420 nan 0.000 0.228 99 P C 0.768 178.054 177.300 -0.024 0.000 1.151 99 P CA 0.544 63.633 63.100 -0.020 0.000 0.770 99 P CB 0.568 32.257 31.700 -0.019 0.000 0.786 100 N N 0.350 119.040 118.700 -0.016 0.000 2.148 100 N HA -0.051 4.686 4.740 -0.006 0.000 0.186 100 N C 0.994 176.496 175.510 -0.013 0.000 1.031 100 N CA 0.805 53.846 53.050 -0.015 0.000 0.848 100 N CB -0.785 37.698 38.487 -0.007 0.000 1.005 100 N HN 0.234 nan 8.380 nan 0.000 0.427 101 S N 0.779 116.478 115.700 -0.003 0.000 2.549 101 S HA 0.172 4.639 4.470 -0.006 0.000 0.279 101 S C 0.293 174.898 174.600 0.009 0.000 1.321 101 S CA -0.642 57.564 58.200 0.011 0.000 1.054 101 S CB 0.619 63.829 63.200 0.018 0.000 0.899 101 S HN 0.132 nan 8.310 nan 0.000 0.497 102 T N 3.841 118.415 114.554 0.033 0.000 2.923 102 T HA 0.117 4.464 4.350 -0.006 0.000 0.309 102 T C 0.198 174.919 174.700 0.036 0.000 1.059 102 T CA 0.413 62.541 62.100 0.047 0.000 1.133 102 T CB -0.121 68.841 68.868 0.156 0.000 1.053 102 T HN 0.799 nan 8.240 nan 0.000 0.530 103 T N 4.478 119.041 114.554 0.016 0.000 2.770 103 T HA 0.482 4.828 4.350 -0.006 0.000 0.283 103 T C -0.704 173.998 174.700 0.002 0.000 0.988 103 T CA -0.750 61.353 62.100 0.004 0.000 0.957 103 T CB 1.055 69.914 68.868 -0.015 0.000 0.930 103 T HN 0.286 nan 8.240 nan 0.000 0.443 104 L N 5.093 126.306 121.223 -0.017 0.000 2.305 104 L HA 0.677 5.014 4.340 -0.006 0.000 0.284 104 L C -1.241 175.585 176.870 -0.072 0.000 1.013 104 L CA -1.111 53.685 54.840 -0.073 0.000 0.819 104 L CB 0.493 42.480 42.059 -0.121 0.000 1.227 104 L HN 0.608 nan 8.230 nan 0.000 0.417 105 I N 6.369 126.893 120.570 -0.077 0.000 2.406 105 I HA 0.524 4.691 4.170 -0.006 0.000 0.290 105 I C -0.519 175.559 176.117 -0.065 0.000 0.999 105 I CA -0.345 60.923 61.300 -0.054 0.000 1.124 105 I CB 1.897 39.880 38.000 -0.029 0.000 1.289 105 I HN 0.527 nan 8.210 nan 0.000 0.441 106 I N 4.648 125.187 120.570 -0.051 0.000 2.569 106 I HA 0.883 5.050 4.170 -0.006 0.000 0.290 106 I C -0.406 175.699 176.117 -0.020 0.000 1.088 106 I CA 0.078 61.348 61.300 -0.049 0.000 1.047 106 I CB 1.896 39.851 38.000 -0.074 0.000 1.237 106 I HN 0.771 nan 8.210 nan 0.000 0.421 107 G N 5.064 113.861 108.800 -0.006 0.000 2.328 107 G HA2 0.315 4.272 3.960 -0.006 0.000 0.295 107 G HA3 0.315 4.272 3.960 -0.006 0.000 0.295 107 G C -1.956 172.959 174.900 0.026 0.000 1.413 107 G CA -0.757 44.348 45.100 0.009 0.000 0.817 107 G HN 0.506 nan 8.290 nan 0.000 0.546 108 E N -0.761 119.457 120.200 0.029 0.000 2.318 108 E HA 0.473 4.819 4.350 -0.006 0.000 0.265 108 E C 1.449 178.072 176.600 0.038 0.000 1.069 108 E CA -0.516 55.909 56.400 0.041 0.000 0.893 108 E CB 1.768 31.489 29.700 0.036 0.000 1.076 108 E HN 0.254 nan 8.360 nan 0.000 0.414 109 V N 0.966 120.906 119.914 0.044 0.000 2.407 109 V HA -0.217 3.900 4.120 -0.006 0.000 0.248 109 V C 0.842 176.952 176.094 0.027 0.000 1.055 109 V CA 1.681 64.003 62.300 0.036 0.000 1.049 109 V CB -0.396 31.450 31.823 0.038 0.000 0.662 109 V HN 0.597 nan 8.190 nan 0.000 0.455 110 D N 0.101 120.517 120.400 0.026 0.000 2.392 110 D HA -0.013 4.624 4.640 -0.006 0.000 0.228 110 D C 0.211 176.522 176.300 0.018 0.000 1.003 110 D CA 0.595 54.608 54.000 0.021 0.000 0.917 110 D CB -0.246 40.567 40.800 0.021 0.000 0.890 110 D HN 0.486 nan 8.370 nan 0.000 0.532 111 D N 0.433 120.843 120.400 0.018 0.000 2.193 111 D HA 0.029 4.666 4.640 -0.006 0.000 0.244 111 D C -0.120 176.187 176.300 0.013 0.000 1.064 111 D CA -0.337 53.672 54.000 0.014 0.000 0.845 111 D CB 1.466 42.275 40.800 0.014 0.000 1.148 111 D HN -0.090 nan 8.370 nan 0.000 0.464 112 D N 3.069 123.476 120.400 0.010 0.000 2.470 112 D HA 0.139 4.776 4.640 -0.006 0.000 0.226 112 D C -0.593 175.711 176.300 0.007 0.000 1.196 112 D CA -0.156 53.849 54.000 0.009 0.000 0.979 112 D CB -0.031 40.774 40.800 0.007 0.000 1.059 112 D HN 0.352 nan 8.370 nan 0.000 0.515 113 I N 5.958 126.533 120.570 0.008 0.000 2.521 113 I HA 0.170 4.336 4.170 -0.006 0.000 0.277 113 I C -1.612 174.508 176.117 0.005 0.000 1.054 113 I CA -1.812 59.491 61.300 0.005 0.000 1.117 113 I CB 2.379 40.382 38.000 0.004 0.000 1.217 113 I HN 0.100 nan 8.210 nan 0.000 0.469 114 P HA -0.059 nan 4.420 nan 0.000 0.229 114 P C 0.844 178.146 177.300 0.003 0.000 1.160 114 P CA 1.044 64.146 63.100 0.004 0.000 0.777 114 P CB 0.395 32.097 31.700 0.003 0.000 0.814 115 E N 0.200 120.401 120.200 0.001 0.000 2.072 115 E HA -0.108 4.238 4.350 -0.006 0.000 0.191 115 E C 2.179 178.779 176.600 -0.000 0.000 0.985 115 E CA 0.628 57.027 56.400 -0.002 0.000 0.801 115 E CB -0.617 29.080 29.700 -0.005 0.000 0.750 115 E HN 0.251 nan 8.360 nan 0.000 0.452 116 L N 1.334 122.558 121.223 0.002 0.000 1.989 116 L HA -0.257 4.079 4.340 -0.006 0.000 0.211 116 L C 1.783 178.659 176.870 0.011 0.000 1.071 116 L CA 1.841 56.684 54.840 0.006 0.000 0.749 116 L CB -0.304 41.760 42.059 0.009 0.000 0.890 116 L HN 0.074 nan 8.230 nan 0.000 0.431 117 D N -0.587 119.820 120.400 0.011 0.000 2.106 117 D HA -0.295 4.342 4.640 -0.006 0.000 0.191 117 D C 1.948 178.255 176.300 0.011 0.000 0.997 117 D CA 1.630 55.638 54.000 0.013 0.000 0.834 117 D CB -0.053 40.753 40.800 0.011 0.000 0.956 117 D HN 0.341 nan 8.370 nan 0.000 0.448 118 E N 0.676 120.880 120.200 0.007 0.000 2.070 118 E HA -0.204 4.143 4.350 -0.006 0.000 0.197 118 E C 1.835 178.438 176.600 0.006 0.000 1.004 118 E CA 1.715 58.117 56.400 0.005 0.000 0.805 118 E CB -0.386 29.314 29.700 0.000 0.000 0.744 118 E HN 0.237 nan 8.360 nan 0.000 0.451 119 A N 0.172 122.996 122.820 0.006 0.000 2.015 119 A HA -0.037 4.279 4.320 -0.006 0.000 0.219 119 A C 2.266 179.862 177.584 0.021 0.000 1.163 119 A CA 1.152 53.195 52.037 0.010 0.000 0.646 119 A CB -0.506 18.498 19.000 0.007 0.000 0.806 119 A HN 0.364 nan 8.150 nan 0.000 0.448 120 L N -1.391 119.845 121.223 0.023 0.000 2.240 120 L HA -0.058 4.279 4.340 -0.006 0.000 0.211 120 L C 0.177 177.065 176.870 0.029 0.000 1.106 120 L CA 0.857 55.715 54.840 0.031 0.000 0.793 120 L CB -0.561 41.518 42.059 0.033 0.000 0.927 120 L HN 0.577 nan 8.230 nan 0.000 0.446 121 N N -0.412 118.301 118.700 0.022 0.000 2.758 121 N HA -0.216 4.520 4.740 -0.006 0.000 0.248 121 N C 0.699 176.221 175.510 0.020 0.000 1.076 121 N CA 0.114 53.176 53.050 0.019 0.000 0.696 121 N CB -1.163 37.337 38.487 0.021 0.000 0.979 121 N HN 0.591 nan 8.380 nan 0.000 0.550 122 G N -1.249 107.562 108.800 0.019 0.000 3.211 122 G HA2 -0.331 3.625 3.960 -0.006 0.000 0.206 122 G HA3 -0.331 3.625 3.960 -0.006 0.000 0.206 122 G C 0.233 175.146 174.900 0.021 0.000 1.418 122 G CA 0.164 45.275 45.100 0.018 0.000 0.958 122 G HN 1.070 nan 8.290 nan 0.000 0.567 123 T N 0.282 114.851 114.554 0.026 0.000 2.934 123 T HA 0.467 4.814 4.350 -0.006 0.000 0.306 123 T C 0.123 174.844 174.700 0.034 0.000 1.042 123 T CA 1.469 63.587 62.100 0.030 0.000 1.145 123 T CB 1.621 70.511 68.868 0.036 0.000 0.982 123 T HN 1.515 nan 8.240 nan 0.000 0.544 124 T N 0.501 115.074 114.554 0.033 0.000 2.843 124 T HA 0.621 4.968 4.350 -0.006 0.000 0.302 124 T C 0.487 175.210 174.700 0.038 0.000 1.232 124 T CA -0.241 61.881 62.100 0.036 0.000 1.009 124 T CB 1.260 70.143 68.868 0.025 0.000 1.254 124 T HN 0.898 nan 8.240 nan 0.000 0.504 125 A N 1.506 124.356 122.820 0.050 0.000 2.387 125 A HA 0.326 4.642 4.320 -0.006 0.000 0.234 125 A C 1.582 179.186 177.584 0.033 0.000 1.253 125 A CA 0.739 52.809 52.037 0.055 0.000 0.894 125 A CB -0.500 18.560 19.000 0.100 0.000 0.963 125 A HN 0.867 nan 8.150 nan 0.000 0.508 126 E N 2.394 122.606 120.200 0.021 0.000 2.058 126 E HA -0.240 4.107 4.350 -0.006 0.000 0.194 126 E C 1.374 177.969 176.600 -0.008 0.000 0.997 126 E CA 2.118 58.524 56.400 0.010 0.000 0.801 126 E CB -0.436 29.269 29.700 0.008 0.000 0.746 126 E HN 0.865 nan 8.360 nan 0.000 0.450 127 N N -0.546 118.140 118.700 -0.023 0.000 2.268 127 N HA 0.116 4.853 4.740 -0.006 0.000 0.204 127 N C -0.116 175.334 175.510 -0.100 0.000 1.124 127 N CA -0.281 52.739 53.050 -0.051 0.000 0.838 127 N CB 0.129 38.587 38.487 -0.047 0.000 0.994 127 N HN 0.057 nan 8.380 nan 0.000 0.489 128 L N 1.225 122.391 121.223 -0.095 0.000 2.439 128 L HA 0.269 4.606 4.340 -0.006 0.000 0.259 128 L C 0.749 177.521 176.870 -0.162 0.000 1.129 128 L CA -1.182 53.548 54.840 -0.183 0.000 0.803 128 L CB 0.922 42.929 42.059 -0.086 0.000 1.161 128 L HN 0.246 nan 8.230 nan 0.000 0.462 129 K N 0.559 120.802 120.400 -0.262 0.000 2.132 129 K HA 0.195 4.512 4.320 -0.006 0.000 0.240 129 K C -0.270 176.311 176.600 -0.031 0.000 1.036 129 K CA -0.651 55.545 56.287 -0.151 0.000 0.888 129 K CB 0.522 32.902 32.500 -0.200 0.000 1.071 129 K HN 0.403 nan 8.250 nan 0.000 0.502 130 E N 0.760 120.963 120.200 0.005 0.000 2.565 130 E HA -0.178 4.169 4.350 -0.006 0.000 0.268 130 E C -0.433 176.245 176.600 0.129 0.000 1.000 130 E CA 1.135 57.575 56.400 0.067 0.000 0.964 130 E CB 0.126 29.865 29.700 0.065 0.000 0.955 130 E HN 0.729 nan 8.360 nan 0.000 0.459 131 E N -1.102 119.225 120.200 0.212 0.000 3.799 131 E HA -0.220 4.126 4.350 -0.006 0.000 0.320 131 E C 0.436 177.342 176.600 0.511 0.000 0.760 131 E CA 0.468 57.109 56.400 0.401 0.000 1.153 131 E CB -1.441 28.557 29.700 0.496 0.000 1.589 131 E HN 0.647 nan 8.360 nan 0.000 0.448 132 G N 0.106 109.102 108.800 0.328 0.000 2.599 132 G HA2 0.457 4.414 3.960 -0.006 0.000 0.264 132 G HA3 0.457 4.414 3.960 -0.006 0.000 0.264 132 G C -0.379 174.759 174.900 0.397 0.000 1.200 132 G CA 0.304 45.602 45.100 0.330 0.000 0.896 132 G HN 0.260 nan 8.290 nan 0.000 0.536 133 Y N -2.761 117.696 120.300 0.261 0.000 2.677 133 Y HA 0.714 5.261 4.550 -0.006 0.000 0.334 133 Y C -0.575 175.420 175.900 0.158 0.000 1.196 133 Y CA -1.519 56.696 58.100 0.190 0.000 1.059 133 Y CB 0.888 39.467 38.460 0.198 0.000 1.315 133 Y HN 0.902 nan 8.280 nan 0.000 0.455 134 A N 2.590 125.584 122.820 0.290 0.000 2.355 134 A HA 0.823 5.139 4.320 -0.006 0.000 0.317 134 A C -1.961 175.809 177.584 0.309 0.000 1.094 134 A CA -0.848 51.303 52.037 0.190 0.000 0.764 134 A CB 1.500 20.566 19.000 0.110 0.000 1.230 134 A HN 1.138 nan 8.150 nan 0.000 0.448 135 L N 2.743 124.119 121.223 0.255 0.000 2.438 135 L HA 0.766 5.103 4.340 -0.006 0.000 0.270 135 L C -1.822 175.129 176.870 0.135 0.000 0.972 135 L CA -0.580 54.386 54.840 0.210 0.000 0.831 135 L CB 2.045 44.273 42.059 0.281 0.000 1.273 135 L HN 0.466 nan 8.230 nan 0.000 0.405 136 V N 3.134 123.108 119.914 0.100 0.000 2.569 136 V HA 0.496 4.613 4.120 -0.006 0.000 0.301 136 V C -0.449 175.709 176.094 0.107 0.000 1.044 136 V CA -0.454 61.902 62.300 0.093 0.000 0.874 136 V CB 2.139 34.006 31.823 0.075 0.000 1.002 136 V HN 0.823 nan 8.190 nan 0.000 0.424 137 S N 3.380 119.163 115.700 0.138 0.000 2.498 137 S HA 0.763 5.230 4.470 -0.006 0.000 0.324 137 S C -0.700 174.070 174.600 0.283 0.000 1.071 137 S CA -0.687 57.647 58.200 0.223 0.000 1.113 137 S CB 1.251 64.549 63.200 0.164 0.000 0.976 137 S HN 0.681 nan 8.310 nan 0.000 0.462 138 N N 2.394 121.272 118.700 0.298 0.000 2.369 138 N HA 0.220 4.957 4.740 -0.006 0.000 0.287 138 N C -1.622 173.893 175.510 0.008 0.000 1.067 138 N CA -0.310 52.853 53.050 0.190 0.000 0.888 138 N CB 1.560 40.103 38.487 0.092 0.000 1.616 138 N HN 0.804 nan 8.380 nan 0.000 0.482 139 D N 3.176 123.520 120.400 -0.093 0.000 4.847 139 D HA -0.183 4.453 4.640 -0.006 0.000 0.182 139 D C 0.729 176.638 176.300 -0.652 0.000 1.235 139 D CA 1.849 55.612 54.000 -0.396 0.000 0.808 139 D CB -1.178 39.518 40.800 -0.174 0.000 1.100 139 D HN 0.981 nan 8.370 nan 0.000 0.586 140 G N 1.934 109.818 108.800 -1.525 0.000 2.159 140 G HA2 -0.304 3.653 3.960 -0.006 0.000 0.256 140 G HA3 -0.304 3.653 3.960 -0.006 0.000 0.256 140 G C 0.067 174.745 174.900 -0.369 0.000 0.977 140 G CA 0.624 45.147 45.100 -0.962 0.000 0.652 140 G HN 0.779 nan 8.290 nan 0.000 0.531 141 K N -0.534 119.737 120.400 -0.215 0.000 2.482 141 K HA 0.698 5.014 4.320 -0.006 0.000 0.251 141 K C -1.005 175.683 176.600 0.147 0.000 0.936 141 K CA -0.906 55.385 56.287 0.007 0.000 0.791 141 K CB 2.157 34.637 32.500 -0.034 0.000 1.213 141 K HN 0.095 nan 8.250 nan 0.000 0.428 142 I N 1.901 122.529 120.570 0.096 0.000 2.436 142 I HA 0.419 4.585 4.170 -0.006 0.000 0.289 142 I C -0.632 175.459 176.117 -0.042 0.000 1.010 142 I CA -0.473 60.852 61.300 0.042 0.000 1.098 142 I CB 2.081 40.048 38.000 -0.054 0.000 1.266 142 I HN 0.654 nan 8.210 nan 0.000 0.434 143 A N 7.506 130.318 122.820 -0.013 0.000 2.303 143 A HA 0.872 5.189 4.320 -0.006 0.000 0.320 143 A C -0.608 176.968 177.584 -0.014 0.000 1.192 143 A CA -0.390 51.636 52.037 -0.017 0.000 0.821 143 A CB 0.451 19.459 19.000 0.015 0.000 1.188 143 A HN 0.671 nan 8.150 nan 0.000 0.492 144 I N 2.179 122.725 120.570 -0.041 0.000 2.420 144 I HA 0.295 4.461 4.170 -0.006 0.000 0.282 144 I C -0.062 176.070 176.117 0.025 0.000 1.019 144 I CA 0.013 61.302 61.300 -0.017 0.000 1.130 144 I CB 1.609 39.540 38.000 -0.115 0.000 1.262 144 I HN 0.765 nan 8.210 nan 0.000 0.454 145 E N 5.536 125.792 120.200 0.093 0.000 2.145 145 E HA 0.483 4.830 4.350 -0.006 0.000 0.262 145 E C -0.187 176.512 176.600 0.166 0.000 0.883 145 E CA -0.599 55.860 56.400 0.099 0.000 0.748 145 E CB 1.507 31.256 29.700 0.083 0.000 1.140 145 E HN 0.740 nan 8.360 nan 0.000 0.417 146 G N 3.161 112.046 108.800 0.140 0.000 2.415 146 G HA2 0.010 3.967 3.960 -0.006 0.000 0.269 146 G HA3 0.010 3.967 3.960 -0.006 0.000 0.269 146 G C 0.658 175.645 174.900 0.146 0.000 1.209 146 G CA -0.366 44.846 45.100 0.187 0.000 0.835 146 G HN 0.546 nan 8.290 nan 0.000 0.534 147 K N 0.413 120.913 120.400 0.166 0.000 2.147 147 K HA -0.043 4.273 4.320 -0.006 0.000 0.205 147 K C 0.518 177.173 176.600 0.091 0.000 1.049 147 K CA 1.933 58.286 56.287 0.111 0.000 0.936 147 K CB 0.033 32.597 32.500 0.106 0.000 0.722 147 K HN 0.735 nan 8.250 nan 0.000 0.446 148 D N -4.562 115.902 120.400 0.107 0.000 2.759 148 D HA 0.291 4.928 4.640 -0.006 0.000 0.321 148 D C 1.088 177.428 176.300 0.066 0.000 1.267 148 D CA -0.269 53.776 54.000 0.076 0.000 0.933 148 D CB -0.051 40.791 40.800 0.070 0.000 1.431 148 D HN -0.112 nan 8.370 nan 0.000 0.504 149 G N -0.267 108.556 108.800 0.038 0.000 2.514 149 G HA2 -0.311 3.645 3.960 -0.006 0.000 0.217 149 G HA3 -0.311 3.645 3.960 -0.006 0.000 0.217 149 G C 0.883 175.775 174.900 -0.014 0.000 1.198 149 G CA 1.486 46.594 45.100 0.014 0.000 0.780 149 G HN 0.576 nan 8.290 nan 0.000 0.565 150 D N 0.674 121.047 120.400 -0.045 0.000 2.126 150 D HA -0.144 4.492 4.640 -0.006 0.000 0.190 150 D C 2.626 178.825 176.300 -0.170 0.000 1.001 150 D CA 1.615 55.515 54.000 -0.168 0.000 0.841 150 D CB -1.027 39.759 40.800 -0.023 0.000 0.949 150 D HN 0.345 nan 8.370 nan 0.000 0.446 151 G N -0.152 108.715 108.800 0.112 0.000 2.442 151 G HA2 -0.264 3.693 3.960 -0.006 0.000 0.219 151 G HA3 -0.264 3.693 3.960 -0.006 0.000 0.219 151 G C 1.704 176.712 174.900 0.181 0.000 1.141 151 G CA 1.634 46.920 45.100 0.309 0.000 0.763 151 G HN 0.271 nan 8.290 nan 0.000 0.554 152 T N 0.582 115.184 114.554 0.079 0.000 2.777 152 T HA -0.100 4.246 4.350 -0.006 0.000 0.266 152 T C 1.930 176.599 174.700 -0.051 0.000 1.040 152 T CA 1.017 63.128 62.100 0.019 0.000 1.141 152 T CB -0.304 68.579 68.868 0.025 0.000 0.868 152 T HN 0.274 nan 8.240 nan 0.000 0.444 153 F N 1.012 120.834 119.950 -0.214 0.000 2.161 153 F HA -0.186 4.338 4.527 -0.006 0.000 0.300 153 F C 1.891 177.548 175.800 -0.238 0.000 1.089 153 F CA 1.217 59.062 58.000 -0.258 0.000 1.282 153 F CB -0.299 38.492 39.000 -0.348 0.000 1.010 153 F HN 0.130 nan 8.300 nan 0.000 0.485 154 Y N 0.391 120.686 120.300 -0.008 0.000 2.263 154 Y HA 0.068 4.614 4.550 -0.006 0.000 0.292 154 Y C 2.716 178.203 175.900 -0.688 0.000 1.130 154 Y CA 0.542 58.505 58.100 -0.228 0.000 1.179 154 Y CB -1.541 36.955 38.460 0.060 0.000 0.998 154 Y HN 0.095 nan 8.280 nan 0.000 0.532 155 G N 0.039 108.356 108.800 -0.804 0.000 2.476 155 G HA2 -0.265 3.692 3.960 -0.006 0.000 0.218 155 G HA3 -0.265 3.692 3.960 -0.006 0.000 0.218 155 G C 1.895 176.512 174.900 -0.472 0.000 1.164 155 G CA 1.734 46.233 45.100 -1.001 0.000 0.768 155 G HN 0.292 nan 8.290 nan 0.000 0.560 156 V N 0.579 120.278 119.914 -0.358 0.000 2.332 156 V HA -0.215 3.902 4.120 -0.006 0.000 0.248 156 V C 3.042 178.949 176.094 -0.312 0.000 1.055 156 V CA 2.069 64.207 62.300 -0.271 0.000 1.038 156 V CB -0.398 31.241 31.823 -0.307 0.000 0.651 156 V HN 0.339 nan 8.190 nan 0.000 0.450 157 Q N -0.263 119.287 119.800 -0.417 0.000 2.119 157 Q HA -0.141 4.196 4.340 -0.006 0.000 0.201 157 Q C 2.357 178.171 176.000 -0.310 0.000 0.972 157 Q CA 2.081 57.656 55.803 -0.380 0.000 0.847 157 Q CB -0.972 27.564 28.738 -0.337 0.000 0.903 157 Q HN 0.678 nan 8.270 nan 0.000 0.433 158 T N 1.486 115.875 114.554 -0.275 0.000 2.746 158 T HA -0.125 4.222 4.350 -0.006 0.000 0.267 158 T C 1.515 176.127 174.700 -0.146 0.000 1.039 158 T CA 1.141 63.135 62.100 -0.178 0.000 1.142 158 T CB -0.459 68.364 68.868 -0.076 0.000 0.866 158 T HN 0.240 nan 8.240 nan 0.000 0.444 159 F N 2.570 122.341 119.950 -0.297 0.000 2.069 159 F HA -0.122 4.402 4.527 -0.006 0.000 0.298 159 F C 2.077 177.620 175.800 -0.427 0.000 1.113 159 F CA 1.305 59.127 58.000 -0.297 0.000 1.214 159 F CB -0.417 38.407 39.000 -0.293 0.000 0.978 159 F HN -0.010 nan 8.300 nan 0.000 0.474 160 K N -0.224 119.671 120.400 -0.842 0.000 2.113 160 K HA -0.249 4.068 4.320 -0.006 0.000 0.208 160 K C 2.079 178.320 176.600 -0.598 0.000 1.047 160 K CA 2.082 57.651 56.287 -1.197 0.000 0.928 160 K CB -0.335 31.623 32.500 -0.903 0.000 0.716 160 K HN 0.515 nan 8.250 nan 0.000 0.446 161 Q N 0.130 119.703 119.800 -0.378 0.000 2.269 161 Q HA 0.036 4.372 4.340 -0.006 0.000 0.201 161 Q C 2.044 177.932 176.000 -0.186 0.000 0.946 161 Q CA 0.519 56.194 55.803 -0.214 0.000 0.877 161 Q CB 0.176 28.818 28.738 -0.160 0.000 0.963 161 Q HN 0.295 nan 8.270 nan 0.000 0.472 162 L N 0.311 121.399 121.223 -0.225 0.000 2.217 162 L HA -0.019 4.317 4.340 -0.006 0.000 0.211 162 L C 0.594 177.349 176.870 -0.191 0.000 1.107 162 L CA 0.216 54.956 54.840 -0.165 0.000 0.783 162 L CB 0.247 42.244 42.059 -0.104 0.000 0.919 162 L HN -0.027 nan 8.230 nan 0.000 0.442 163 V N 0.692 120.433 119.914 -0.288 0.000 2.530 163 V HA 0.154 4.270 4.120 -0.006 0.000 0.282 163 V C -0.045 175.995 176.094 -0.090 0.000 1.048 163 V CA -0.238 61.939 62.300 -0.206 0.000 0.997 163 V CB 1.231 32.902 31.823 -0.254 0.000 0.987 163 V HN 0.077 nan 8.190 nan 0.000 0.477 164 K N 3.898 124.253 120.400 -0.075 0.000 2.613 164 K HA 0.401 4.718 4.320 -0.006 0.000 0.248 164 K C -0.089 176.482 176.600 -0.048 0.000 0.959 164 K CA -0.313 55.943 56.287 -0.051 0.000 0.855 164 K CB 0.686 33.155 32.500 -0.051 0.000 1.143 164 K HN 0.646 nan 8.250 nan 0.000 0.437 165 E N 2.563 122.734 120.200 -0.047 0.000 2.553 165 E HA -0.266 4.081 4.350 -0.006 0.000 0.264 165 E C -0.406 176.171 176.600 -0.039 0.000 1.068 165 E CA 1.007 57.380 56.400 -0.045 0.000 0.774 165 E CB -2.024 27.655 29.700 -0.036 0.000 1.349 165 E HN 0.828 nan 8.360 nan 0.000 0.404 166 S N -1.738 113.938 115.700 -0.041 0.000 2.691 166 S HA -0.253 4.214 4.470 -0.006 0.000 0.262 166 S C 0.123 174.712 174.600 -0.018 0.000 1.284 166 S CA 1.802 59.992 58.200 -0.017 0.000 1.372 166 S CB -1.097 62.099 63.200 -0.006 0.000 1.693 166 S HN 0.565 nan 8.310 nan 0.000 0.647 167 N N 0.868 119.540 118.700 -0.046 0.000 2.524 167 N HA 0.686 5.423 4.740 -0.006 0.000 0.283 167 N C -0.398 175.026 175.510 -0.143 0.000 1.142 167 N CA 0.214 53.215 53.050 -0.083 0.000 0.984 167 N CB 1.255 39.705 38.487 -0.062 0.000 1.155 167 N HN 0.475 nan 8.380 nan 0.000 0.467 168 I N 1.433 121.850 120.570 -0.255 0.000 2.607 168 I HA 0.445 4.611 4.170 -0.006 0.000 0.290 168 I C -2.587 173.341 176.117 -0.313 0.000 1.129 168 I CA -2.506 58.623 61.300 -0.284 0.000 1.042 168 I CB 2.382 40.200 38.000 -0.303 0.000 1.242 168 I HN 0.419 nan 8.210 nan 0.000 0.421 169 P HA 0.134 nan 4.420 nan 0.000 0.272 169 P C -1.563 175.673 177.300 -0.106 0.000 1.240 169 P CA -0.046 62.986 63.100 -0.115 0.000 0.791 169 P CB 0.441 32.107 31.700 -0.057 0.000 0.978 170 E N 0.256 120.446 120.200 -0.017 0.000 2.133 170 E HA 0.512 4.859 4.350 -0.006 0.000 0.274 170 E C -0.420 176.219 176.600 0.065 0.000 0.930 170 E CA -1.038 55.402 56.400 0.067 0.000 0.770 170 E CB 1.352 31.169 29.700 0.195 0.000 1.104 170 E HN 0.292 nan 8.360 nan 0.000 0.403 171 V N 0.092 120.049 119.914 0.071 0.000 3.181 171 V HA 0.586 4.703 4.120 -0.006 0.000 0.308 171 V C -1.181 174.955 176.094 0.070 0.000 1.214 171 V CA -1.307 61.029 62.300 0.060 0.000 1.053 171 V CB 1.980 33.832 31.823 0.047 0.000 1.069 171 V HN 0.758 nan 8.190 nan 0.000 0.441 172 N N 0.221 118.956 118.700 0.058 0.000 2.407 172 N HA 0.787 5.524 4.740 -0.006 0.000 0.277 172 N C -1.398 174.142 175.510 0.051 0.000 0.995 172 N CA -0.572 52.513 53.050 0.058 0.000 0.903 172 N CB 1.396 39.911 38.487 0.047 0.000 1.218 172 N HN 0.809 nan 8.380 nan 0.000 0.487 173 I N 2.089 122.696 120.570 0.062 0.000 2.533 173 I HA 0.337 4.504 4.170 -0.006 0.000 0.290 173 I C -0.494 175.623 176.117 0.000 0.000 1.056 173 I CA -0.721 60.605 61.300 0.043 0.000 1.057 173 I CB 2.188 40.245 38.000 0.096 0.000 1.240 173 I HN 0.472 nan 8.210 nan 0.000 0.423 174 T N 0.580 115.106 114.554 -0.047 0.000 2.863 174 T HA 0.731 5.078 4.350 -0.006 0.000 0.285 174 T C -1.063 173.531 174.700 -0.177 0.000 1.009 174 T CA -0.707 61.333 62.100 -0.101 0.000 0.989 174 T CB 2.507 71.382 68.868 0.012 0.000 1.004 174 T HN 0.496 nan 8.240 nan 0.000 0.455 175 D N 0.825 121.035 120.400 -0.317 0.000 2.736 175 D HA 0.610 5.247 4.640 -0.006 0.000 0.223 175 D C -1.705 174.542 176.300 -0.088 0.000 1.231 175 D CA -0.348 53.461 54.000 -0.319 0.000 0.818 175 D CB 1.740 42.297 40.800 -0.404 0.000 1.587 175 D HN 0.783 nan 8.370 nan 0.000 0.463 176 Y N -1.113 119.090 120.300 -0.161 0.000 2.662 176 Y HA 0.573 5.120 4.550 -0.006 0.000 0.334 176 Y C -3.051 172.112 175.900 -1.228 0.000 1.185 176 Y CA -1.944 55.873 58.100 -0.471 0.000 1.074 176 Y CB 0.677 38.968 38.460 -0.281 0.000 1.330 176 Y HN 0.059 nan 8.280 nan 0.000 0.458 177 P HA 0.161 nan 4.420 nan 0.000 0.279 177 P C 0.148 177.100 177.300 -0.580 0.000 1.239 177 P CA -0.001 62.249 63.100 -1.417 0.000 0.789 177 P CB 2.006 33.197 31.700 -0.847 0.000 0.933 178 T N 0.959 115.220 114.554 -0.489 0.000 2.674 178 T HA -0.047 4.300 4.350 -0.006 0.000 0.265 178 T C 1.013 175.600 174.700 -0.189 0.000 1.039 178 T CA 1.210 63.152 62.100 -0.264 0.000 1.150 178 T CB -0.248 68.457 68.868 -0.273 0.000 0.864 178 T HN 0.470 nan 8.240 nan 0.000 0.427 179 V N 0.341 120.144 119.914 -0.185 0.000 2.581 179 V HA 0.519 4.636 4.120 -0.006 0.000 0.303 179 V C 0.831 176.890 176.094 -0.057 0.000 1.041 179 V CA -0.530 61.716 62.300 -0.090 0.000 0.907 179 V CB 2.067 33.860 31.823 -0.049 0.000 0.994 179 V HN 0.255 nan 8.190 nan 0.000 0.442 180 S N 4.052 119.744 115.700 -0.013 0.000 2.368 180 S HA 0.131 4.597 4.470 -0.006 0.000 0.225 180 S C 0.947 175.532 174.600 -0.025 0.000 1.030 180 S CA 1.359 59.560 58.200 0.002 0.000 0.999 180 S CB -0.201 63.027 63.200 0.046 0.000 0.844 180 S HN 1.448 nan 8.310 nan 0.000 0.459 181 A N 1.651 124.403 122.820 -0.113 0.000 2.287 181 A HA 0.731 5.048 4.320 -0.006 0.000 0.317 181 A C -0.234 177.179 177.584 -0.286 0.000 1.220 181 A CA -0.722 51.104 52.037 -0.352 0.000 0.835 181 A CB 0.699 19.111 19.000 -0.979 0.000 1.180 181 A HN 0.347 nan 8.150 nan 0.000 0.500 182 R N 1.783 122.192 120.500 -0.153 0.000 2.532 182 R HA 0.727 5.064 4.340 -0.006 0.000 0.297 182 R C 0.158 176.429 176.300 -0.049 0.000 0.984 182 R CA -0.115 55.983 56.100 -0.002 0.000 0.884 182 R CB 2.411 32.767 30.300 0.094 0.000 1.182 182 R HN 1.142 nan 8.270 nan 0.000 0.442 183 G N 1.938 110.702 108.800 -0.060 0.000 2.356 183 G HA2 0.372 4.329 3.960 -0.006 0.000 0.281 183 G HA3 0.372 4.329 3.960 -0.006 0.000 0.281 183 G C -1.906 172.880 174.900 -0.189 0.000 1.246 183 G CA -0.587 44.420 45.100 -0.154 0.000 0.889 183 G HN 0.265 nan 8.290 nan 0.000 0.486 184 I N 0.026 120.462 120.570 -0.224 0.000 2.569 184 I HA 0.629 4.795 4.170 -0.006 0.000 0.296 184 I C -0.281 175.768 176.117 -0.114 0.000 1.028 184 I CA -1.044 60.170 61.300 -0.144 0.000 1.082 184 I CB 1.988 39.937 38.000 -0.086 0.000 1.264 184 I HN 0.437 nan 8.210 nan 0.000 0.429 185 V N 6.055 125.794 119.914 -0.291 0.000 2.384 185 V HA 0.400 4.517 4.120 -0.006 0.000 0.287 185 V C 0.152 175.997 176.094 -0.415 0.000 1.020 185 V CA -0.358 61.663 62.300 -0.465 0.000 0.850 185 V CB 1.450 32.692 31.823 -0.968 0.000 0.987 185 V HN 0.849 nan 8.190 nan 0.000 0.436 186 E N 4.656 124.631 120.200 -0.376 0.000 1.972 186 E HA 0.284 4.630 4.350 -0.006 0.000 0.292 186 E C 0.945 177.091 176.600 -0.756 0.000 1.193 186 E CA 0.375 56.437 56.400 -0.564 0.000 1.228 186 E CB -0.011 29.387 29.700 -0.503 0.000 1.167 186 E HN 0.944 nan 8.360 nan 0.000 0.479 187 G N 2.908 111.373 108.800 -0.559 0.000 3.575 187 G HA2 0.079 4.035 3.960 -0.006 0.000 0.273 187 G HA3 0.079 4.035 3.960 -0.006 0.000 0.273 187 G C -0.014 174.709 174.900 -0.295 0.000 1.053 187 G CA -0.447 44.457 45.100 -0.327 0.000 0.803 187 G HN 0.357 nan 8.290 nan 0.000 0.528 188 F N -0.486 119.312 119.950 -0.253 0.000 2.375 188 F HA 0.730 5.253 4.527 -0.006 0.000 0.333 188 F C 0.100 175.754 175.800 -0.242 0.000 1.104 188 F CA -2.493 55.406 58.000 -0.169 0.000 1.149 188 F CB 0.364 39.272 39.000 -0.154 0.000 1.190 188 F HN -0.018 nan 8.300 nan 0.000 0.533 189 Y N 1.278 121.680 120.300 0.170 0.000 2.296 189 Y HA 0.494 5.041 4.550 -0.006 0.000 0.343 189 Y C 1.124 177.152 175.900 0.212 0.000 1.292 189 Y CA 0.618 58.793 58.100 0.124 0.000 1.490 189 Y CB 0.446 38.972 38.460 0.111 0.000 1.359 189 Y HN 1.136 nan 8.280 nan 0.000 0.599 190 G N -0.402 108.591 108.800 0.322 0.000 2.549 190 G HA2 -0.166 3.790 3.960 -0.006 0.000 0.404 190 G HA3 -0.166 3.790 3.960 -0.006 0.000 0.404 190 G C -0.855 174.163 174.900 0.196 0.000 1.292 190 G CA -0.839 44.392 45.100 0.219 0.000 0.935 190 G HN 0.623 nan 8.290 nan 0.000 0.512 191 T N 3.733 118.374 114.554 0.146 0.000 2.822 191 T HA 0.407 4.754 4.350 -0.006 0.000 0.288 191 T C -1.692 173.152 174.700 0.240 0.000 0.991 191 T CA 0.679 62.869 62.100 0.150 0.000 1.176 191 T CB 0.603 69.539 68.868 0.114 0.000 0.951 191 T HN 0.598 nan 8.240 nan 0.000 0.526 192 P HA 0.165 nan 4.420 nan 0.000 0.274 192 P C -0.204 177.342 177.300 0.410 0.000 1.231 192 P CA -0.834 62.419 63.100 0.255 0.000 0.790 192 P CB 0.489 32.265 31.700 0.128 0.000 0.951 193 W N 1.342 122.823 121.300 0.302 0.000 2.231 193 W HA 0.091 4.748 4.660 -0.006 0.000 0.341 193 W C 1.213 177.838 176.519 0.176 0.000 1.298 193 W CA -0.087 57.393 57.345 0.225 0.000 1.266 193 W CB -0.901 28.718 29.460 0.266 0.000 1.172 193 W HN 0.346 nan 8.180 nan 0.000 0.568 194 T N -1.245 113.514 114.554 0.340 0.000 2.788 194 T HA -0.003 4.344 4.350 -0.006 0.000 0.287 194 T C 1.074 175.937 174.700 0.273 0.000 1.007 194 T CA 0.083 62.334 62.100 0.252 0.000 1.005 194 T CB 0.844 69.806 68.868 0.157 0.000 1.012 194 T HN 0.498 nan 8.240 nan 0.000 0.530 195 H N 0.157 119.321 119.070 0.157 0.000 2.352 195 H HA -0.084 4.469 4.556 -0.006 0.000 0.299 195 H C 2.245 177.623 175.328 0.083 0.000 1.097 195 H CA 2.378 58.508 56.048 0.137 0.000 1.311 195 H CB -0.192 29.630 29.762 0.101 0.000 1.377 195 H HN 0.666 nan 8.280 nan 0.000 0.504 196 Q N 0.247 120.039 119.800 -0.013 0.000 2.172 196 Q HA -0.088 4.248 4.340 -0.006 0.000 0.200 196 Q C 1.536 177.451 176.000 -0.142 0.000 0.964 196 Q CA 1.613 57.351 55.803 -0.108 0.000 0.855 196 Q CB -0.123 28.589 28.738 -0.043 0.000 0.918 196 Q HN 0.526 nan 8.270 nan 0.000 0.444 197 D N -0.344 119.993 120.400 -0.106 0.000 2.097 197 D HA -0.141 4.496 4.640 -0.006 0.000 0.195 197 D C 1.853 177.987 176.300 -0.277 0.000 0.989 197 D CA 1.097 54.954 54.000 -0.239 0.000 0.827 197 D CB -0.070 40.570 40.800 -0.266 0.000 0.966 197 D HN 0.262 nan 8.370 nan 0.000 0.456 198 R N 0.130 120.588 120.500 -0.070 0.000 2.073 198 R HA -0.015 4.321 4.340 -0.006 0.000 0.234 198 R C 2.638 178.827 176.300 -0.185 0.000 1.134 198 R CA 0.624 56.719 56.100 -0.009 0.000 0.952 198 R CB -0.431 30.030 30.300 0.268 0.000 0.850 198 R HN 0.180 nan 8.270 nan 0.000 0.433 199 L N 0.468 121.559 121.223 -0.221 0.000 2.013 199 L HA -0.261 4.075 4.340 -0.006 0.000 0.212 199 L C 2.178 178.920 176.870 -0.214 0.000 1.073 199 L CA 1.746 56.452 54.840 -0.223 0.000 0.753 199 L CB -0.535 41.367 42.059 -0.262 0.000 0.890 199 L HN 0.246 nan 8.230 nan 0.000 0.432 200 D N -1.104 119.157 120.400 -0.232 0.000 2.144 200 D HA -0.209 4.428 4.640 -0.006 0.000 0.199 200 D C 2.295 178.411 176.300 -0.307 0.000 0.984 200 D CA 0.975 54.836 54.000 -0.232 0.000 0.834 200 D CB 0.163 40.819 40.800 -0.241 0.000 0.955 200 D HN 0.186 nan 8.370 nan 0.000 0.465 201 Q N -0.031 119.496 119.800 -0.454 0.000 2.084 201 Q HA -0.107 4.230 4.340 -0.006 0.000 0.202 201 Q C 2.575 177.957 176.000 -1.031 0.000 0.978 201 Q CA 0.785 56.157 55.803 -0.719 0.000 0.844 201 Q CB -0.233 28.076 28.738 -0.715 0.000 0.898 201 Q HN 0.507 nan 8.270 nan 0.000 0.426 202 I N 0.821 121.007 120.570 -0.640 0.000 2.264 202 I HA -0.286 3.881 4.170 -0.006 0.000 0.248 202 I C 2.596 178.599 176.117 -0.190 0.000 1.111 202 I CA 1.180 62.250 61.300 -0.382 0.000 1.382 202 I CB -0.214 37.695 38.000 -0.153 0.000 1.060 202 I HN 0.163 nan 8.210 nan 0.000 0.418 203 K N 0.595 120.908 120.400 -0.145 0.000 2.103 203 K HA -0.191 4.125 4.320 -0.006 0.000 0.204 203 K C 2.256 178.877 176.600 0.036 0.000 1.052 203 K CA 1.258 57.538 56.287 -0.011 0.000 0.945 203 K CB -0.121 32.373 32.500 -0.010 0.000 0.722 203 K HN 0.140 nan 8.250 nan 0.000 0.443 204 F N 1.226 121.059 119.950 -0.195 0.000 2.171 204 F HA -0.242 4.282 4.527 -0.006 0.000 0.300 204 F C 1.578 177.403 175.800 0.042 0.000 1.090 204 F CA 1.399 59.332 58.000 -0.112 0.000 1.293 204 F CB -0.265 38.623 39.000 -0.186 0.000 1.013 204 F HN 0.030 nan 8.300 nan 0.000 0.486 205 Y N 0.429 120.760 120.300 0.053 0.000 2.114 205 Y HA -0.024 4.523 4.550 -0.006 0.000 0.284 205 Y C 2.842 178.744 175.900 0.004 0.000 1.143 205 Y CA 0.656 58.748 58.100 -0.014 0.000 1.135 205 Y CB -1.697 36.820 38.460 0.095 0.000 0.980 205 Y HN 0.082 nan 8.280 nan 0.000 0.499 206 G N -0.137 108.817 108.800 0.257 0.000 2.469 206 G HA2 -0.346 3.611 3.960 -0.006 0.000 0.219 206 G HA3 -0.346 3.611 3.960 -0.006 0.000 0.219 206 G C 1.597 176.691 174.900 0.323 0.000 1.150 206 G CA 1.150 46.489 45.100 0.399 0.000 0.763 206 G HN 0.527 nan 8.290 nan 0.000 0.561 207 E N 0.439 120.688 120.200 0.082 0.000 2.268 207 E HA -0.077 4.269 4.350 -0.006 0.000 0.195 207 E C 1.334 177.809 176.600 -0.208 0.000 0.995 207 E CA 0.784 57.136 56.400 -0.081 0.000 0.836 207 E CB -0.080 29.568 29.700 -0.087 0.000 0.763 207 E HN 0.431 nan 8.360 nan 0.000 0.491 208 N N 0.329 118.868 118.700 -0.268 0.000 2.187 208 N HA 0.067 4.804 4.740 -0.006 0.000 0.212 208 N C -0.547 174.752 175.510 -0.352 0.000 1.152 208 N CA 0.112 52.936 53.050 -0.377 0.000 0.872 208 N CB 0.784 38.948 38.487 -0.538 0.000 1.025 208 N HN 0.087 nan 8.380 nan 0.000 0.514 209 K N 0.318 120.564 120.400 -0.257 0.000 3.339 209 K HA -0.133 4.183 4.320 -0.006 0.000 0.299 209 K C -0.605 175.885 176.600 -0.184 0.000 1.270 209 K CA 0.416 56.409 56.287 -0.489 0.000 0.875 209 K CB -1.760 30.051 32.500 -1.148 0.000 1.298 209 K HN 0.191 nan 8.250 nan 0.000 0.485 210 L N 1.955 123.179 121.223 0.002 0.000 2.290 210 L HA 0.156 4.492 4.340 -0.006 0.000 0.284 210 L C 1.299 178.266 176.870 0.162 0.000 1.078 210 L CA -0.422 54.457 54.840 0.065 0.000 0.815 210 L CB 0.543 42.613 42.059 0.017 0.000 1.162 210 L HN 0.209 nan 8.230 nan 0.000 0.435 211 N N -0.118 118.668 118.700 0.143 0.000 2.187 211 N HA 0.042 4.779 4.740 -0.006 0.000 0.212 211 N C -0.312 175.271 175.510 0.121 0.000 1.152 211 N CA -0.307 52.856 53.050 0.188 0.000 0.872 211 N CB 0.753 39.380 38.487 0.233 0.000 1.025 211 N HN 0.394 nan 8.380 nan 0.000 0.514 212 T N 0.608 115.199 114.554 0.062 0.000 2.879 212 T HA 0.278 4.625 4.350 -0.006 0.000 0.290 212 T C -2.080 172.690 174.700 0.117 0.000 0.993 212 T CA -0.454 61.673 62.100 0.045 0.000 0.975 212 T CB 1.421 70.213 68.868 -0.126 0.000 0.981 212 T HN 0.179 nan 8.240 nan 0.000 0.439 213 Y N 3.939 124.259 120.300 0.033 0.000 2.322 213 Y HA 0.584 5.130 4.550 -0.006 0.000 0.324 213 Y C -1.420 174.445 175.900 -0.058 0.000 1.027 213 Y CA -1.729 56.398 58.100 0.046 0.000 1.179 213 Y CB 0.672 39.294 38.460 0.271 0.000 1.136 213 Y HN 0.616 nan 8.280 nan 0.000 0.449 214 I N 7.761 128.095 120.570 -0.393 0.000 2.291 214 I HA 0.115 4.281 4.170 -0.006 0.000 0.290 214 I C -0.930 174.710 176.117 -0.796 0.000 1.050 214 I CA -0.776 60.219 61.300 -0.507 0.000 1.245 214 I CB 0.372 38.225 38.000 -0.244 0.000 1.405 214 I HN 0.622 nan 8.210 nan 0.000 0.478 215 Y N 7.074 126.699 120.300 -1.126 0.000 2.504 215 Y HA 0.491 5.037 4.550 -0.005 0.000 0.351 215 Y C 0.370 175.807 175.900 -0.773 0.000 0.988 215 Y CA -0.452 57.066 58.100 -0.970 0.000 1.239 215 Y CB 0.729 38.603 38.460 -0.977 0.000 1.128 215 Y HN 0.624 nan 8.280 nan 0.000 0.525 216 A N 7.595 129.788 122.820 -1.045 0.000 3.339 216 A HA 0.356 4.672 4.320 -0.006 0.000 0.219 216 A C -3.047 173.792 177.584 -1.241 0.000 0.974 216 A CA -1.026 50.336 52.037 -1.125 0.000 1.050 216 A CB -0.306 18.307 19.000 -0.644 0.000 1.271 216 A HN 0.498 nan 8.150 nan 0.000 0.565 217 P HA 0.269 nan 4.420 nan 0.000 0.276 217 P C 0.450 177.355 177.300 -0.659 0.000 1.230 217 P CA 0.036 62.628 63.100 -0.846 0.000 0.776 217 P CB 1.061 32.382 31.700 -0.632 0.000 0.888 218 K N 1.798 121.904 120.400 -0.491 0.000 2.360 218 K HA -0.155 4.162 4.320 -0.006 0.000 0.201 218 K C 1.287 177.853 176.600 -0.057 0.000 1.046 218 K CA 1.441 57.607 56.287 -0.202 0.000 0.940 218 K CB -0.449 31.921 32.500 -0.217 0.000 0.748 218 K HN 0.580 nan 8.250 nan 0.000 0.465 219 D N -0.611 119.738 120.400 -0.084 0.000 2.349 219 D HA -0.096 4.540 4.640 -0.006 0.000 0.215 219 D C -0.380 175.968 176.300 0.079 0.000 1.016 219 D CA 0.229 54.238 54.000 0.016 0.000 0.870 219 D CB 0.037 40.857 40.800 0.034 0.000 0.917 219 D HN -0.062 nan 8.370 nan 0.000 0.524 220 D N 0.984 121.436 120.400 0.087 0.000 2.396 220 D HA 0.178 4.815 4.640 -0.006 0.000 0.225 220 D C -1.806 174.632 176.300 0.231 0.000 1.121 220 D CA -2.195 51.947 54.000 0.237 0.000 0.853 220 D CB 2.108 43.102 40.800 0.322 0.000 1.043 220 D HN -0.120 nan 8.370 nan 0.000 0.500 221 P HA -0.089 nan 4.420 nan 0.000 0.222 221 P C 0.574 177.746 177.300 -0.213 0.000 1.147 221 P CA 0.914 63.940 63.100 -0.123 0.000 0.790 221 P CB 0.014 31.524 31.700 -0.316 0.000 0.780 222 Y N -1.753 118.593 120.300 0.077 0.000 2.546 222 Y HA -0.073 4.474 4.550 -0.006 0.000 0.287 222 Y C 2.564 178.583 175.900 0.198 0.000 1.158 222 Y CA 0.598 58.673 58.100 -0.042 0.000 1.307 222 Y CB -0.908 37.214 38.460 -0.565 0.000 1.036 222 Y HN 0.260 nan 8.280 nan 0.000 0.532 223 H N -0.286 118.924 119.070 0.234 0.000 2.547 223 H HA 0.178 4.730 4.556 -0.006 0.000 0.272 223 H C 1.795 177.131 175.328 0.012 0.000 0.971 223 H CA 1.077 57.172 56.048 0.079 0.000 1.245 223 H CB 0.356 29.983 29.762 -0.226 0.000 1.440 223 H HN 0.370 nan 8.280 nan 0.000 0.540 224 R N -0.166 120.067 120.500 -0.445 0.000 4.528 224 R HA 0.049 4.386 4.340 -0.006 0.000 0.121 224 R C 1.471 177.733 176.300 -0.063 0.000 0.727 224 R CA 0.332 56.184 56.100 -0.414 0.000 0.977 224 R CB 0.302 30.216 30.300 -0.642 0.000 1.506 224 R HN 0.029 nan 8.270 nan 0.000 0.428 225 E N 1.017 121.155 120.200 -0.103 0.000 2.204 225 E HA -0.034 4.312 4.350 -0.006 0.000 0.194 225 E C 0.133 176.642 176.600 -0.152 0.000 0.989 225 E CA 1.169 57.517 56.400 -0.087 0.000 0.824 225 E CB 0.288 29.928 29.700 -0.100 0.000 0.756 225 E HN 0.174 nan 8.360 nan 0.000 0.477 226 K N 0.336 120.596 120.400 -0.233 0.000 3.084 226 K HA 0.082 4.399 4.320 -0.006 0.000 0.210 226 K C 0.454 176.907 176.600 -0.245 0.000 1.137 226 K CA -0.330 55.751 56.287 -0.343 0.000 1.010 226 K CB 0.207 32.359 32.500 -0.581 0.000 0.806 226 K HN 0.245 nan 8.250 nan 0.000 0.460 227 W N 0.760 121.952 121.300 -0.180 0.000 2.364 227 W HA -0.171 4.486 4.660 -0.006 0.000 0.281 227 W C 0.811 177.273 176.519 -0.095 0.000 1.219 227 W CA 0.489 57.760 57.345 -0.123 0.000 1.220 227 W CB -0.466 28.892 29.460 -0.170 0.000 1.127 227 W HN 0.077 nan 8.180 nan 0.000 0.556 228 R N 1.030 120.951 120.500 -0.965 0.000 2.092 228 R HA -0.038 4.298 4.340 -0.006 0.000 0.231 228 R C 0.539 176.607 176.300 -0.387 0.000 1.119 228 R CA 1.062 56.609 56.100 -0.921 0.000 0.970 228 R CB -0.322 29.183 30.300 -1.325 0.000 0.864 228 R HN 0.241 nan 8.270 nan 0.000 0.440 229 E N 1.836 121.869 120.200 -0.278 0.000 2.257 229 E HA 0.123 4.469 4.350 -0.006 0.000 0.278 229 E C -2.323 174.269 176.600 -0.013 0.000 1.049 229 E CA -2.150 54.189 56.400 -0.100 0.000 0.876 229 E CB 0.766 30.453 29.700 -0.020 0.000 1.035 229 E HN -0.001 nan 8.360 nan 0.000 0.419 230 P HA -0.098 nan 4.420 nan 0.000 0.269 230 P C -0.870 176.321 177.300 -0.182 0.000 1.217 230 P CA 0.129 63.190 63.100 -0.064 0.000 0.783 230 P CB 0.303 31.997 31.700 -0.010 0.000 0.898 231 Y N 1.934 122.100 120.300 -0.224 0.000 2.620 231 Y HA 0.078 4.625 4.550 -0.006 0.000 0.330 231 Y C -1.142 174.576 175.900 -0.304 0.000 1.186 231 Y CA -0.849 56.980 58.100 -0.452 0.000 1.467 231 Y CB -0.795 37.460 38.460 -0.342 0.000 1.262 231 Y HN 0.342 nan 8.280 nan 0.000 0.550 232 P HA 0.065 nan 4.420 nan 0.000 0.274 232 P C 0.097 177.377 177.300 -0.034 0.000 1.246 232 P CA -0.234 62.828 63.100 -0.063 0.000 0.795 232 P CB 1.159 32.844 31.700 -0.025 0.000 1.006 233 E N 0.787 120.977 120.200 -0.017 0.000 2.118 233 E HA -0.164 4.182 4.350 -0.006 0.000 0.195 233 E C 1.824 178.409 176.600 -0.025 0.000 0.992 233 E CA 1.897 58.285 56.400 -0.021 0.000 0.804 233 E CB -0.642 29.050 29.700 -0.012 0.000 0.741 233 E HN 0.511 nan 8.360 nan 0.000 0.458 234 S N -0.296 115.398 115.700 -0.010 0.000 2.595 234 S HA -0.055 4.411 4.470 -0.006 0.000 0.235 234 S C 1.251 175.844 174.600 -0.012 0.000 0.974 234 S CA 0.633 58.831 58.200 -0.004 0.000 0.942 234 S CB 0.013 63.224 63.200 0.018 0.000 0.766 234 S HN 0.128 nan 8.310 nan 0.000 0.536 235 E N -0.068 120.115 120.200 -0.028 0.000 2.490 235 E HA 0.289 4.636 4.350 -0.006 0.000 0.209 235 E C 1.340 177.852 176.600 -0.147 0.000 0.971 235 E CA 0.008 56.379 56.400 -0.049 0.000 0.988 235 E CB -0.204 29.514 29.700 0.031 0.000 1.029 235 E HN 0.462 nan 8.360 nan 0.000 0.496 236 M N 1.284 120.809 119.600 -0.126 0.000 2.149 236 M HA -0.203 4.274 4.480 -0.006 0.000 0.261 236 M C 2.201 178.398 176.300 -0.172 0.000 1.064 236 M CA 1.692 56.895 55.300 -0.160 0.000 1.102 236 M CB -0.086 32.456 32.600 -0.097 0.000 1.369 236 M HN 0.011 nan 8.290 nan 0.000 0.408 237 Q N -0.640 119.080 119.800 -0.133 0.000 2.046 237 Q HA -0.224 4.113 4.340 -0.006 0.000 0.200 237 Q C 2.285 178.192 176.000 -0.155 0.000 0.975 237 Q CA 1.600 57.331 55.803 -0.121 0.000 0.836 237 Q CB -0.219 28.468 28.738 -0.086 0.000 0.896 237 Q HN 0.536 nan 8.270 nan 0.000 0.428 238 R N -0.285 120.086 120.500 -0.214 0.000 2.094 238 R HA -0.187 4.150 4.340 -0.006 0.000 0.239 238 R C 2.237 178.402 176.300 -0.225 0.000 1.137 238 R CA 1.832 57.728 56.100 -0.340 0.000 0.943 238 R CB -0.165 29.903 30.300 -0.386 0.000 0.850 238 R HN 0.283 nan 8.270 nan 0.000 0.433 239 M N 0.587 120.008 119.600 -0.298 0.000 2.065 239 M HA -0.202 4.275 4.480 -0.006 0.000 0.259 239 M C 2.281 178.364 176.300 -0.360 0.000 1.069 239 M CA 1.706 56.762 55.300 -0.405 0.000 1.110 239 M CB -1.167 31.052 32.600 -0.634 0.000 1.328 239 M HN 0.164 nan 8.290 nan 0.000 0.405 240 Q N 0.656 120.289 119.800 -0.278 0.000 2.133 240 Q HA -0.199 4.137 4.340 -0.006 0.000 0.208 240 Q C 1.781 177.679 176.000 -0.170 0.000 0.991 240 Q CA 2.053 57.725 55.803 -0.219 0.000 0.867 240 Q CB -0.209 28.437 28.738 -0.153 0.000 0.911 240 Q HN 0.562 nan 8.270 nan 0.000 0.417 241 E N -0.693 119.450 120.200 -0.094 0.000 2.077 241 E HA -0.177 4.169 4.350 -0.006 0.000 0.193 241 E C 1.966 178.543 176.600 -0.038 0.000 0.989 241 E CA 1.241 57.637 56.400 -0.008 0.000 0.800 241 E CB -0.137 29.657 29.700 0.157 0.000 0.746 241 E HN 0.376 nan 8.360 nan 0.000 0.452 242 L N 0.428 121.611 121.223 -0.066 0.000 2.056 242 L HA -0.155 4.181 4.340 -0.006 0.000 0.207 242 L C 2.425 179.101 176.870 -0.323 0.000 1.078 242 L CA 0.807 55.579 54.840 -0.113 0.000 0.749 242 L CB -0.327 41.687 42.059 -0.076 0.000 0.901 242 L HN 0.144 nan 8.230 nan 0.000 0.433 243 I N 0.155 120.381 120.570 -0.574 0.000 2.179 243 I HA -0.298 3.868 4.170 -0.006 0.000 0.242 243 I C 2.152 178.122 176.117 -0.245 0.000 1.088 243 I CA 1.325 62.284 61.300 -0.569 0.000 1.357 243 I CB -0.386 37.295 38.000 -0.531 0.000 1.051 243 I HN 0.321 nan 8.210 nan 0.000 0.409 244 N N 1.043 119.637 118.700 -0.177 0.000 2.106 244 N HA -0.106 4.631 4.740 -0.006 0.000 0.188 244 N C 1.894 177.363 175.510 -0.068 0.000 1.029 244 N CA 1.593 54.581 53.050 -0.103 0.000 0.848 244 N CB -0.514 37.924 38.487 -0.082 0.000 1.007 244 N HN 0.337 nan 8.380 nan 0.000 0.423 245 A N 0.449 123.234 122.820 -0.058 0.000 1.908 245 A HA -0.131 4.186 4.320 -0.006 0.000 0.218 245 A C 2.364 179.946 177.584 -0.004 0.000 1.181 245 A CA 1.934 53.953 52.037 -0.030 0.000 0.627 245 A CB -0.864 18.115 19.000 -0.036 0.000 0.818 245 A HN 0.282 nan 8.150 nan 0.000 0.445 246 S N 0.189 115.910 115.700 0.036 0.000 2.359 246 S HA -0.111 4.356 4.470 -0.006 0.000 0.224 246 S C 2.328 176.948 174.600 0.033 0.000 1.035 246 S CA 1.379 59.648 58.200 0.115 0.000 1.018 246 S CB -0.637 62.731 63.200 0.280 0.000 0.876 246 S HN 0.840 nan 8.310 nan 0.000 0.448 247 A N 2.359 125.174 122.820 -0.010 0.000 1.883 247 A HA -0.201 4.115 4.320 -0.006 0.000 0.217 247 A C 2.076 179.593 177.584 -0.112 0.000 1.186 247 A CA 1.738 53.743 52.037 -0.052 0.000 0.624 247 A CB -0.708 18.259 19.000 -0.055 0.000 0.822 247 A HN 0.750 nan 8.150 nan 0.000 0.444 248 E N -0.665 119.481 120.200 -0.089 0.000 2.478 248 E HA -0.096 4.250 4.350 -0.006 0.000 0.198 248 E C 0.416 176.904 176.600 -0.187 0.000 1.046 248 E CA 0.898 57.239 56.400 -0.098 0.000 0.870 248 E CB -0.316 29.368 29.700 -0.026 0.000 0.818 248 E HN 0.613 nan 8.360 nan 0.000 0.527 249 N N 0.874 119.434 118.700 -0.234 0.000 2.214 249 N HA 0.036 4.772 4.740 -0.006 0.000 0.214 249 N C -0.517 174.590 175.510 -0.672 0.000 1.132 249 N CA -0.069 52.755 53.050 -0.376 0.000 0.856 249 N CB 0.666 39.155 38.487 0.004 0.000 1.020 249 N HN -0.019 nan 8.380 nan 0.000 0.509 250 K N 0.077 120.122 120.400 -0.592 0.000 3.129 250 K HA -0.105 4.212 4.320 -0.006 0.000 0.273 250 K C -0.781 175.782 176.600 -0.062 0.000 1.123 250 K CA 0.274 56.325 56.287 -0.394 0.000 0.800 250 K CB -2.319 29.787 32.500 -0.658 0.000 1.238 250 K HN 0.026 nan 8.250 nan 0.000 0.492 251 V N 1.540 121.464 119.914 0.017 0.000 2.398 251 V HA 0.189 4.305 4.120 -0.006 0.000 0.286 251 V C 0.467 176.667 176.094 0.177 0.000 1.026 251 V CA -0.867 61.528 62.300 0.158 0.000 0.868 251 V CB 1.787 33.761 31.823 0.252 0.000 0.982 251 V HN 0.075 nan 8.190 nan 0.000 0.443 252 D N 4.105 124.610 120.400 0.175 0.000 2.358 252 D HA 0.102 4.738 4.640 -0.006 0.000 0.258 252 D C -0.309 176.132 176.300 0.235 0.000 1.223 252 D CA 0.156 54.264 54.000 0.179 0.000 0.886 252 D CB 0.929 41.815 40.800 0.143 0.000 1.120 252 D HN 0.434 nan 8.370 nan 0.000 0.482 253 F N 3.835 123.849 119.950 0.106 0.000 2.439 253 F HA 0.136 4.660 4.527 -0.006 0.000 0.356 253 F C -0.310 175.500 175.800 0.017 0.000 1.161 253 F CA -0.636 57.422 58.000 0.096 0.000 1.151 253 F CB 0.371 39.419 39.000 0.079 0.000 1.222 253 F HN -0.009 nan 8.300 nan 0.000 0.558 254 V N 7.958 127.647 119.914 -0.375 0.000 2.385 254 V HA 0.100 4.217 4.120 -0.006 0.000 0.269 254 V C -0.129 175.675 176.094 -0.484 0.000 1.043 254 V CA -0.656 61.467 62.300 -0.294 0.000 0.906 254 V CB 0.466 32.225 31.823 -0.106 0.000 0.995 254 V HN 0.590 nan 8.190 nan 0.000 0.467 255 F N 3.999 123.685 119.950 -0.440 0.000 2.424 255 F HA 0.656 5.180 4.527 -0.005 0.000 0.356 255 F C 0.885 176.587 175.800 -0.165 0.000 1.110 255 F CA -0.212 57.638 58.000 -0.250 0.000 1.161 255 F CB 0.922 39.882 39.000 -0.068 0.000 1.115 255 F HN 0.550 nan 8.300 nan 0.000 0.507 256 G N 7.763 116.088 108.800 -0.791 0.000 2.335 256 G HA2 0.551 4.507 3.960 -0.006 0.000 0.314 256 G HA3 0.551 4.507 3.960 -0.006 0.000 0.314 256 G C -1.003 173.492 174.900 -0.676 0.000 1.129 256 G CA -0.605 44.047 45.100 -0.747 0.000 0.912 256 G HN 0.670 nan 8.290 nan 0.000 0.443 257 I N 1.341 121.582 120.570 -0.548 0.000 2.404 257 I HA 0.302 4.469 4.170 -0.006 0.000 0.293 257 I C -0.002 175.737 176.117 -0.631 0.000 0.992 257 I CA -0.586 60.481 61.300 -0.388 0.000 1.149 257 I CB 2.246 40.128 38.000 -0.196 0.000 1.315 257 I HN 0.256 nan 8.210 nan 0.000 0.446 258 S N 7.316 122.667 115.700 -0.582 0.000 2.426 258 S HA 0.293 4.759 4.470 -0.006 0.000 0.236 258 S C -1.867 172.351 174.600 -0.638 0.000 1.368 258 S CA -0.959 56.920 58.200 -0.536 0.000 1.154 258 S CB 0.813 63.811 63.200 -0.337 0.000 1.037 258 S HN 0.521 nan 8.310 nan 0.000 0.481 259 P HA 0.129 nan 4.420 nan 0.000 0.249 259 P C 1.499 178.396 177.300 -0.673 0.000 1.229 259 P CA 0.134 62.377 63.100 -1.427 0.000 0.788 259 P CB -0.044 30.493 31.700 -1.937 0.000 1.072 260 G N 1.350 109.930 108.800 -0.367 0.000 2.450 260 G HA2 -0.288 3.669 3.960 -0.006 0.000 0.220 260 G HA3 -0.288 3.669 3.960 -0.006 0.000 0.220 260 G C 1.451 176.336 174.900 -0.025 0.000 1.130 260 G CA 0.361 45.417 45.100 -0.073 0.000 0.760 260 G HN 0.316 nan 8.290 nan 0.000 0.557 261 I N 1.038 121.578 120.570 -0.050 0.000 2.181 261 I HA -0.286 3.880 4.170 -0.006 0.000 0.247 261 I C 1.544 177.697 176.117 0.060 0.000 1.081 261 I CA 2.626 63.936 61.300 0.018 0.000 1.340 261 I CB 0.140 38.156 38.000 0.027 0.000 1.036 261 I HN 0.447 nan 8.210 nan 0.000 0.417 262 D N -1.496 118.967 120.400 0.104 0.000 2.530 262 D HA 0.108 4.745 4.640 -0.006 0.000 0.290 262 D C 0.432 176.815 176.300 0.138 0.000 1.398 262 D CA -0.417 53.658 54.000 0.125 0.000 0.848 262 D CB -0.956 39.923 40.800 0.131 0.000 1.279 262 D HN 0.292 nan 8.370 nan 0.000 0.483 263 I N 1.163 121.781 120.570 0.081 0.000 2.932 263 I HA 0.082 4.249 4.170 -0.006 0.000 0.295 263 I C -0.069 175.900 176.117 -0.247 0.000 1.227 263 I CA 0.287 61.579 61.300 -0.013 0.000 1.429 263 I CB 0.355 38.189 38.000 -0.277 0.000 1.339 263 I HN -0.067 nan 8.210 nan 0.000 0.589 264 R N 5.321 125.698 120.500 -0.204 0.000 2.778 264 R HA 0.424 4.761 4.340 -0.006 0.000 0.277 264 R C -0.571 175.550 176.300 -0.298 0.000 0.977 264 R CA -0.480 55.488 56.100 -0.219 0.000 0.950 264 R CB 1.366 31.667 30.300 0.002 0.000 1.165 264 R HN 0.527 nan 8.270 nan 0.000 0.474 265 F N -0.991 119.047 119.950 0.146 0.000 2.619 265 F HA 0.216 4.740 4.527 -0.006 0.000 0.281 265 F C 0.347 176.201 175.800 0.090 0.000 1.065 265 F CA -0.081 57.994 58.000 0.125 0.000 1.304 265 F CB 0.417 39.472 39.000 0.092 0.000 1.059 265 F HN 0.328 nan 8.300 nan 0.000 0.648 266 D N 0.230 120.779 120.400 0.249 0.000 2.283 266 D HA 0.434 5.071 4.640 -0.006 0.000 0.248 266 D C 0.948 177.315 176.300 0.112 0.000 1.072 266 D CA 1.045 55.137 54.000 0.153 0.000 0.929 266 D CB 1.038 41.911 40.800 0.121 0.000 1.182 266 D HN 0.309 nan 8.370 nan 0.000 0.433 267 G N 2.243 111.093 108.800 0.083 0.000 2.575 267 G HA2 -0.305 3.651 3.960 -0.006 0.000 0.267 267 G HA3 -0.305 3.651 3.960 -0.006 0.000 0.267 267 G C 0.677 175.618 174.900 0.068 0.000 1.264 267 G CA 0.253 45.391 45.100 0.064 0.000 0.935 267 G HN 0.548 nan 8.290 nan 0.000 0.568 268 D N 0.429 120.863 120.400 0.057 0.000 2.144 268 D HA 0.009 4.645 4.640 -0.006 0.000 0.200 268 D C 2.827 179.169 176.300 0.070 0.000 0.978 268 D CA 1.804 55.837 54.000 0.055 0.000 0.833 268 D CB -0.442 40.383 40.800 0.041 0.000 0.961 268 D HN 0.712 nan 8.370 nan 0.000 0.470 269 A N 1.453 124.318 122.820 0.074 0.000 1.883 269 A HA -0.088 4.228 4.320 -0.006 0.000 0.217 269 A C 2.439 180.094 177.584 0.118 0.000 1.186 269 A CA 2.165 54.255 52.037 0.087 0.000 0.624 269 A CB -1.216 17.829 19.000 0.075 0.000 0.822 269 A HN 0.300 nan 8.150 nan 0.000 0.444 270 G N -0.727 108.149 108.800 0.127 0.000 2.469 270 G HA2 -0.255 3.702 3.960 -0.006 0.000 0.219 270 G HA3 -0.255 3.702 3.960 -0.006 0.000 0.219 270 G C 1.504 176.532 174.900 0.213 0.000 1.150 270 G CA 1.094 46.298 45.100 0.173 0.000 0.763 270 G HN 0.487 nan 8.290 nan 0.000 0.561 271 E N 0.607 120.903 120.200 0.161 0.000 2.047 271 E HA -0.084 4.262 4.350 -0.006 0.000 0.191 271 E C 2.538 179.244 176.600 0.177 0.000 0.987 271 E CA 0.824 57.323 56.400 0.165 0.000 0.799 271 E CB -0.231 29.527 29.700 0.096 0.000 0.752 271 E HN 0.590 nan 8.360 nan 0.000 0.449 272 E N 0.701 120.966 120.200 0.108 0.000 2.049 272 E HA -0.210 4.136 4.350 -0.006 0.000 0.198 272 E C 1.821 178.467 176.600 0.077 0.000 1.007 272 E CA 1.293 57.707 56.400 0.024 0.000 0.809 272 E CB -0.117 29.601 29.700 0.029 0.000 0.749 272 E HN 0.189 nan 8.360 nan 0.000 0.450 273 D N 0.163 120.709 120.400 0.242 0.000 2.123 273 D HA -0.151 4.486 4.640 -0.006 0.000 0.196 273 D C 1.639 178.196 176.300 0.427 0.000 0.992 273 D CA 0.676 54.916 54.000 0.401 0.000 0.833 273 D CB -0.396 40.635 40.800 0.385 0.000 0.954 273 D HN 0.078 nan 8.370 nan 0.000 0.455 274 F N 1.710 121.807 119.950 0.245 0.000 2.126 274 F HA -0.204 4.320 4.527 -0.006 0.000 0.299 274 F C 1.944 177.860 175.800 0.193 0.000 1.096 274 F CA 1.239 59.380 58.000 0.235 0.000 1.255 274 F CB -0.127 38.991 39.000 0.196 0.000 0.997 274 F HN -0.115 nan 8.300 nan 0.000 0.479 275 N N -0.147 118.663 118.700 0.184 0.000 2.120 275 N HA -0.204 4.532 4.740 -0.006 0.000 0.188 275 N C 1.690 177.162 175.510 -0.063 0.000 1.024 275 N CA 1.823 54.888 53.050 0.024 0.000 0.852 275 N CB -0.903 37.586 38.487 0.004 0.000 1.003 275 N HN 0.521 nan 8.380 nan 0.000 0.424 276 H N 0.705 119.784 119.070 0.015 0.000 2.390 276 H HA -0.035 4.518 4.556 -0.006 0.000 0.298 276 H C 2.213 177.553 175.328 0.020 0.000 1.106 276 H CA 0.833 56.859 56.048 -0.037 0.000 1.297 276 H CB 0.017 29.686 29.762 -0.155 0.000 1.375 276 H HN 0.103 nan 8.280 nan 0.000 0.509 277 L N 0.240 121.595 121.223 0.219 0.000 2.046 277 L HA -0.190 4.146 4.340 -0.006 0.000 0.208 277 L C 1.885 178.721 176.870 -0.056 0.000 1.077 277 L CA 0.840 55.762 54.840 0.136 0.000 0.747 277 L CB -0.122 41.903 42.059 -0.057 0.000 0.896 277 L HN 0.341 nan 8.230 nan 0.000 0.432 278 I N -0.200 120.242 120.570 -0.213 0.000 2.142 278 I HA -0.285 3.882 4.170 -0.006 0.000 0.240 278 I C 2.556 178.598 176.117 -0.124 0.000 1.078 278 I CA 1.651 62.817 61.300 -0.223 0.000 1.343 278 I CB -1.609 36.292 38.000 -0.165 0.000 1.046 278 I HN 0.272 nan 8.210 nan 0.000 0.405 279 T N 0.948 115.480 114.554 -0.037 0.000 2.597 279 T HA -0.280 4.066 4.350 -0.006 0.000 0.267 279 T C 1.953 176.664 174.700 0.018 0.000 1.053 279 T CA 2.327 64.435 62.100 0.013 0.000 1.165 279 T CB -0.270 68.628 68.868 0.050 0.000 0.863 279 T HN 0.110 nan 8.240 nan 0.000 0.427 280 K N 1.789 122.205 120.400 0.027 0.000 2.044 280 K HA 0.000 4.317 4.320 -0.006 0.000 0.210 280 K C 2.226 178.840 176.600 0.024 0.000 1.049 280 K CA 1.754 58.063 56.287 0.036 0.000 0.927 280 K CB -0.903 31.651 32.500 0.090 0.000 0.713 280 K HN 0.289 nan 8.250 nan 0.000 0.443 281 A N 1.120 123.886 122.820 -0.090 0.000 1.969 281 A HA -0.171 4.145 4.320 -0.006 0.000 0.218 281 A C 1.913 179.466 177.584 -0.052 0.000 1.169 281 A CA 1.783 53.666 52.037 -0.258 0.000 0.635 281 A CB -0.611 17.782 19.000 -1.012 0.000 0.810 281 A HN 0.684 nan 8.150 nan 0.000 0.445 282 E N 0.171 120.394 120.200 0.040 0.000 2.230 282 E HA -0.108 4.238 4.350 -0.006 0.000 0.192 282 E C 1.922 178.693 176.600 0.285 0.000 0.987 282 E CA 1.218 57.820 56.400 0.336 0.000 0.841 282 E CB -0.512 29.363 29.700 0.291 0.000 0.783 282 E HN 0.613 nan 8.360 nan 0.000 0.481 283 S N 1.494 117.295 115.700 0.169 0.000 2.399 283 S HA -0.106 4.361 4.470 -0.006 0.000 0.231 283 S C 2.098 176.788 174.600 0.151 0.000 1.022 283 S CA 0.707 58.988 58.200 0.135 0.000 0.983 283 S CB -0.570 62.678 63.200 0.079 0.000 0.803 283 S HN 0.261 nan 8.310 nan 0.000 0.480 284 L N -0.663 120.673 121.223 0.189 0.000 2.109 284 L HA 0.050 4.387 4.340 -0.006 0.000 0.207 284 L C 2.595 179.642 176.870 0.295 0.000 1.086 284 L CA 1.521 56.468 54.840 0.177 0.000 0.760 284 L CB -0.664 41.492 42.059 0.161 0.000 0.910 284 L HN 0.313 nan 8.230 nan 0.000 0.437 285 Y N 1.259 121.785 120.300 0.376 0.000 2.224 285 Y HA -0.301 4.246 4.550 -0.006 0.000 0.289 285 Y C 2.179 178.192 175.900 0.188 0.000 1.146 285 Y CA 1.727 60.055 58.100 0.381 0.000 1.182 285 Y CB -0.095 38.649 38.460 0.473 0.000 0.983 285 Y HN 0.237 nan 8.280 nan 0.000 0.524 286 D N -0.105 120.481 120.400 0.309 0.000 2.263 286 D HA -0.172 4.465 4.640 -0.006 0.000 0.208 286 D C 1.735 178.053 176.300 0.030 0.000 0.971 286 D CA 1.420 55.515 54.000 0.158 0.000 0.867 286 D CB -0.236 40.654 40.800 0.151 0.000 0.929 286 D HN 0.499 nan 8.370 nan 0.000 0.492 287 M N -1.229 118.374 119.600 0.005 0.000 2.556 287 M HA 0.166 4.643 4.480 -0.006 0.000 0.245 287 M C 1.148 177.378 176.300 -0.118 0.000 1.128 287 M CA 0.546 55.804 55.300 -0.071 0.000 1.069 287 M CB 0.849 33.386 32.600 -0.106 0.000 1.469 287 M HN 0.117 nan 8.290 nan 0.000 0.494 288 G N 0.331 109.049 108.800 -0.137 0.000 2.184 288 G HA2 -0.172 3.784 3.960 -0.006 0.000 0.206 288 G HA3 -0.172 3.784 3.960 -0.006 0.000 0.206 288 G C 0.001 174.821 174.900 -0.133 0.000 0.995 288 G CA -0.473 44.521 45.100 -0.177 0.000 0.651 288 G HN 0.242 nan 8.290 nan 0.000 0.511 289 V N 1.849 121.729 119.914 -0.058 0.000 2.521 289 V HA 0.381 4.497 4.120 -0.006 0.000 0.286 289 V C 1.334 177.484 176.094 0.093 0.000 1.034 289 V CA 0.192 62.499 62.300 0.012 0.000 1.045 289 V CB 1.235 33.042 31.823 -0.026 0.000 0.974 289 V HN 0.315 nan 8.190 nan 0.000 0.480 290 R N 2.086 122.645 120.500 0.098 0.000 2.509 290 R HA 0.324 4.661 4.340 -0.006 0.000 0.297 290 R C -0.063 176.429 176.300 0.320 0.000 0.951 290 R CA -0.020 56.242 56.100 0.269 0.000 1.103 290 R CB 1.094 31.491 30.300 0.161 0.000 1.283 290 R HN 0.603 nan 8.270 nan 0.000 0.534 291 S N 0.510 116.261 115.700 0.084 0.000 2.538 291 S HA 0.702 5.169 4.470 -0.006 0.000 0.288 291 S C -1.205 173.312 174.600 -0.139 0.000 1.108 291 S CA -0.431 57.866 58.200 0.162 0.000 0.971 291 S CB 1.552 64.843 63.200 0.152 0.000 1.041 291 S HN 0.003 nan 8.310 nan 0.000 0.483 292 F N 1.085 121.209 119.950 0.290 0.000 2.576 292 F HA 0.803 5.327 4.527 -0.006 0.000 0.313 292 F C 0.171 176.035 175.800 0.105 0.000 1.078 292 F CA -0.795 57.343 58.000 0.230 0.000 0.921 292 F CB 1.781 40.972 39.000 0.319 0.000 1.232 292 F HN 0.645 nan 8.300 nan 0.000 0.459 293 A N 2.649 125.544 122.820 0.125 0.000 2.401 293 A HA 0.918 5.235 4.320 -0.006 0.000 0.310 293 A C -1.285 176.167 177.584 -0.220 0.000 1.075 293 A CA -0.628 51.407 52.037 -0.002 0.000 0.746 293 A CB 1.140 20.153 19.000 0.022 0.000 1.277 293 A HN 0.705 nan 8.150 nan 0.000 0.425 294 I N 1.846 122.290 120.570 -0.211 0.000 2.447 294 I HA 0.299 4.466 4.170 -0.006 0.000 0.287 294 I C -1.189 174.700 176.117 -0.380 0.000 1.023 294 I CA -0.221 60.801 61.300 -0.464 0.000 1.083 294 I CB 1.512 39.185 38.000 -0.544 0.000 1.245 294 I HN 0.664 nan 8.210 nan 0.000 0.434 295 Y N 4.243 124.143 120.300 -0.666 0.000 2.330 295 Y HA 0.154 4.701 4.550 -0.005 0.000 0.336 295 Y C -0.105 175.365 175.900 -0.716 0.000 1.036 295 Y CA -0.735 57.037 58.100 -0.546 0.000 1.125 295 Y CB 1.638 39.881 38.460 -0.361 0.000 1.194 295 Y HN 0.686 nan 8.280 nan 0.000 0.469 296 W N 1.467 122.753 121.300 -0.023 0.000 2.846 296 W HA 0.037 4.693 4.660 -0.006 0.000 0.391 296 W C 1.474 177.923 176.519 -0.116 0.000 1.011 296 W CA -0.416 56.846 57.345 -0.139 0.000 1.832 296 W CB 0.427 29.774 29.460 -0.187 0.000 1.151 296 W HN 0.615 nan 8.180 nan 0.000 0.582 297 D N 0.813 121.210 120.400 -0.004 0.000 2.218 297 D HA -0.207 4.429 4.640 -0.006 0.000 0.204 297 D C 1.014 177.334 176.300 0.034 0.000 0.976 297 D CA 1.778 55.749 54.000 -0.049 0.000 0.853 297 D CB -0.328 40.205 40.800 -0.446 0.000 0.939 297 D HN 0.298 nan 8.370 nan 0.000 0.481 298 D N -0.144 120.266 120.400 0.017 0.000 2.469 298 D HA 0.110 4.746 4.640 -0.006 0.000 0.215 298 D C 0.794 177.124 176.300 0.050 0.000 1.154 298 D CA -0.656 53.360 54.000 0.026 0.000 0.832 298 D CB -0.365 40.442 40.800 0.011 0.000 1.008 298 D HN 0.284 nan 8.370 nan 0.000 0.506 299 I N 0.866 121.493 120.570 0.095 0.000 2.638 299 I HA 0.015 4.182 4.170 -0.006 0.000 0.286 299 I C 1.184 177.380 176.117 0.131 0.000 1.088 299 I CA -0.136 61.251 61.300 0.145 0.000 1.397 299 I CB 1.782 39.938 38.000 0.261 0.000 1.414 299 I HN -0.175 nan 8.210 nan 0.000 0.566 300 Q N 3.399 123.275 119.800 0.126 0.000 2.297 300 Q HA -0.040 4.297 4.340 -0.006 0.000 0.203 300 Q C 0.286 176.367 176.000 0.134 0.000 0.931 300 Q CA 0.884 56.746 55.803 0.099 0.000 0.885 300 Q CB -0.090 28.688 28.738 0.066 0.000 0.991 300 Q HN 0.614 nan 8.270 nan 0.000 0.498 301 D N 1.372 121.896 120.400 0.206 0.000 2.540 301 D HA -0.060 4.577 4.640 -0.006 0.000 0.237 301 D C -0.591 175.867 176.300 0.262 0.000 1.181 301 D CA 0.187 54.332 54.000 0.241 0.000 1.119 301 D CB -0.340 40.680 40.800 0.366 0.000 1.119 301 D HN 0.042 nan 8.370 nan 0.000 0.498 302 K N 1.676 122.159 120.400 0.139 0.000 2.715 302 K HA 0.084 4.401 4.320 -0.006 0.000 0.248 302 K C -0.543 176.061 176.600 0.006 0.000 1.276 302 K CA -0.115 56.231 56.287 0.099 0.000 1.209 302 K CB -0.253 32.253 32.500 0.010 0.000 1.509 302 K HN 0.033 nan 8.250 nan 0.000 0.261 303 S N 1.681 117.207 115.700 -0.289 0.000 2.488 303 S HA 0.218 4.684 4.470 -0.006 0.000 0.310 303 S C 0.904 175.023 174.600 -0.802 0.000 1.093 303 S CA -0.566 57.367 58.200 -0.445 0.000 1.129 303 S CB 1.458 64.400 63.200 -0.430 0.000 0.989 303 S HN 0.603 nan 8.310 nan 0.000 0.479 304 A N 3.723 126.209 122.820 -0.557 0.000 1.883 304 A HA -0.062 4.254 4.320 -0.006 0.000 0.217 304 A C 2.291 179.550 177.584 -0.541 0.000 1.186 304 A CA 1.915 53.489 52.037 -0.771 0.000 0.624 304 A CB -0.981 17.487 19.000 -0.886 0.000 0.822 304 A HN 0.829 nan 8.150 nan 0.000 0.444 305 A N -0.193 122.364 122.820 -0.439 0.000 1.883 305 A HA -0.204 4.113 4.320 -0.006 0.000 0.217 305 A C 2.110 179.454 177.584 -0.400 0.000 1.186 305 A CA 1.962 53.784 52.037 -0.359 0.000 0.624 305 A CB -0.483 18.357 19.000 -0.266 0.000 0.822 305 A HN 0.577 nan 8.150 nan 0.000 0.444 306 K N -1.137 118.945 120.400 -0.529 0.000 2.148 306 K HA -0.123 4.193 4.320 -0.006 0.000 0.204 306 K C 1.852 178.062 176.600 -0.651 0.000 1.050 306 K CA 1.484 57.373 56.287 -0.663 0.000 0.942 306 K CB -0.359 31.479 32.500 -1.104 0.000 0.724 306 K HN 0.768 nan 8.250 nan 0.000 0.446 307 H N -0.005 118.577 119.070 -0.813 0.000 2.321 307 H HA -0.061 4.491 4.556 -0.006 0.000 0.300 307 H C 2.214 177.246 175.328 -0.493 0.000 1.087 307 H CA 0.746 56.152 56.048 -1.070 0.000 1.319 307 H CB 0.044 29.147 29.762 -1.099 0.000 1.379 307 H HN 0.256 nan 8.280 nan 0.000 0.501 308 A N 1.106 123.723 122.820 -0.339 0.000 1.969 308 A HA -0.171 4.146 4.320 -0.006 0.000 0.218 308 A C 2.233 179.727 177.584 -0.151 0.000 1.169 308 A CA 1.061 52.871 52.037 -0.378 0.000 0.635 308 A CB -0.140 18.470 19.000 -0.651 0.000 0.810 308 A HN 0.327 nan 8.150 nan 0.000 0.445 309 Q N -0.085 119.626 119.800 -0.149 0.000 2.050 309 Q HA -0.127 4.210 4.340 -0.006 0.000 0.202 309 Q C 2.312 178.355 176.000 0.071 0.000 0.980 309 Q CA 1.683 57.446 55.803 -0.066 0.000 0.840 309 Q CB -1.130 27.547 28.738 -0.101 0.000 0.898 309 Q HN 0.461 nan 8.270 nan 0.000 0.424 310 V N 1.577 121.605 119.914 0.190 0.000 2.332 310 V HA -0.251 3.865 4.120 -0.006 0.000 0.248 310 V C 2.482 178.884 176.094 0.513 0.000 1.055 310 V CA 1.480 64.060 62.300 0.467 0.000 1.038 310 V CB -0.678 31.557 31.823 0.687 0.000 0.651 310 V HN 0.253 nan 8.190 nan 0.000 0.450 311 L N -0.011 121.458 121.223 0.410 0.000 2.017 311 L HA -0.155 4.181 4.340 -0.006 0.000 0.208 311 L C 2.479 179.542 176.870 0.321 0.000 1.073 311 L CA 1.534 56.601 54.840 0.379 0.000 0.745 311 L CB -0.789 41.467 42.059 0.329 0.000 0.894 311 L HN 0.373 nan 8.230 nan 0.000 0.432 312 N N -0.134 118.681 118.700 0.191 0.000 2.120 312 N HA -0.164 4.572 4.740 -0.006 0.000 0.188 312 N C 1.931 177.545 175.510 0.174 0.000 1.024 312 N CA 1.044 54.176 53.050 0.136 0.000 0.852 312 N CB -0.267 38.243 38.487 0.038 0.000 1.003 312 N HN 0.226 nan 8.380 nan 0.000 0.424 313 R N -0.217 120.400 120.500 0.194 0.000 2.073 313 R HA -0.013 4.324 4.340 -0.006 0.000 0.229 313 R C 2.024 178.594 176.300 0.451 0.000 1.120 313 R CA 0.539 56.741 56.100 0.169 0.000 0.967 313 R CB -0.470 29.728 30.300 -0.170 0.000 0.862 313 R HN 0.198 nan 8.270 nan 0.000 0.436 314 F N 1.959 122.212 119.950 0.504 0.000 2.126 314 F HA -0.244 4.280 4.527 -0.006 0.000 0.299 314 F C 2.105 178.065 175.800 0.267 0.000 1.096 314 F CA 1.870 60.095 58.000 0.375 0.000 1.255 314 F CB -0.426 38.710 39.000 0.227 0.000 0.997 314 F HN 0.104 nan 8.300 nan 0.000 0.479 315 N N -0.278 118.647 118.700 0.376 0.000 2.120 315 N HA -0.217 4.519 4.740 -0.006 0.000 0.188 315 N C 2.003 177.576 175.510 0.106 0.000 1.024 315 N CA 1.126 54.318 53.050 0.236 0.000 0.852 315 N CB -0.160 38.469 38.487 0.236 0.000 1.003 315 N HN 0.367 nan 8.380 nan 0.000 0.424 316 E N 1.115 121.379 120.200 0.107 0.000 2.006 316 E HA -0.135 4.211 4.350 -0.006 0.000 0.192 316 E C 1.487 178.101 176.600 0.024 0.000 0.993 316 E CA 1.105 57.539 56.400 0.056 0.000 0.808 316 E CB -0.043 29.689 29.700 0.054 0.000 0.764 316 E HN 0.430 nan 8.360 nan 0.000 0.449 317 E N -1.211 119.029 120.200 0.066 0.000 2.347 317 E HA -0.098 4.249 4.350 -0.006 0.000 0.196 317 E C 1.350 177.940 176.600 -0.017 0.000 1.008 317 E CA 0.424 56.859 56.400 0.059 0.000 0.852 317 E CB 0.171 29.984 29.700 0.187 0.000 0.783 317 E HN 0.147 nan 8.360 nan 0.000 0.505 318 F N -0.825 118.923 119.950 -0.336 0.000 2.362 318 F HA 0.024 4.548 4.527 -0.006 0.000 0.264 318 F C 1.873 177.434 175.800 -0.399 0.000 0.905 318 F CA 0.107 57.793 58.000 -0.523 0.000 1.142 318 F CB -0.257 38.103 39.000 -1.066 0.000 1.250 318 F HN -0.287 nan 8.300 nan 0.000 0.771 319 V N 1.715 121.485 119.914 -0.240 0.000 2.219 319 V HA -0.366 3.751 4.120 -0.006 0.000 0.248 319 V C 2.234 178.253 176.094 -0.126 0.000 1.053 319 V CA 2.667 64.908 62.300 -0.098 0.000 1.009 319 V CB -0.802 31.097 31.823 0.127 0.000 0.636 319 V HN 0.272 nan 8.190 nan 0.000 0.445 320 K N -0.184 120.173 120.400 -0.072 0.000 2.097 320 K HA -0.035 4.282 4.320 -0.006 0.000 0.205 320 K C 2.314 178.854 176.600 -0.101 0.000 1.050 320 K CA 1.225 57.482 56.287 -0.050 0.000 0.938 320 K CB -0.458 32.037 32.500 -0.007 0.000 0.718 320 K HN 0.464 nan 8.250 nan 0.000 0.442 321 A N 1.885 124.614 122.820 -0.151 0.000 1.948 321 A HA -0.218 4.098 4.320 -0.006 0.000 0.220 321 A C 1.845 179.283 177.584 -0.243 0.000 1.177 321 A CA 1.636 53.565 52.037 -0.180 0.000 0.636 321 A CB -0.204 18.678 19.000 -0.196 0.000 0.815 321 A HN 0.090 nan 8.150 nan 0.000 0.449 322 K N -2.282 117.902 120.400 -0.360 0.000 2.186 322 K HA 0.108 4.425 4.320 -0.006 0.000 0.202 322 K C 1.691 178.207 176.600 -0.141 0.000 1.052 322 K CA 0.990 57.050 56.287 -0.378 0.000 0.965 322 K CB -0.423 31.668 32.500 -0.682 0.000 0.746 322 K HN 0.758 nan 8.250 nan 0.000 0.457 323 G N 2.386 111.136 108.800 -0.084 0.000 2.377 323 G HA2 -0.307 3.650 3.960 -0.006 0.000 0.250 323 G HA3 -0.307 3.650 3.960 -0.006 0.000 0.250 323 G C 0.484 175.412 174.900 0.048 0.000 1.039 323 G CA 0.940 46.035 45.100 -0.007 0.000 0.625 323 G HN 0.485 nan 8.290 nan 0.000 0.526 324 D N 0.345 120.798 120.400 0.089 0.000 2.440 324 D HA 0.372 5.008 4.640 -0.006 0.000 0.216 324 D C 0.583 177.000 176.300 0.196 0.000 1.150 324 D CA -0.047 54.033 54.000 0.134 0.000 0.832 324 D CB 0.076 40.956 40.800 0.133 0.000 0.992 324 D HN 0.369 nan 8.370 nan 0.000 0.502 325 V N 1.284 121.323 119.914 0.208 0.000 2.546 325 V HA 0.150 4.267 4.120 -0.006 0.000 0.284 325 V C 0.880 177.135 176.094 0.268 0.000 1.050 325 V CA -0.692 61.792 62.300 0.306 0.000 0.981 325 V CB 1.565 33.570 31.823 0.303 0.000 0.990 325 V HN -0.000 nan 8.190 nan 0.000 0.474 326 K N 4.241 124.826 120.400 0.308 0.000 2.149 326 K HA 0.305 4.621 4.320 -0.006 0.000 0.245 326 K C -2.335 174.441 176.600 0.294 0.000 1.024 326 K CA -1.447 55.002 56.287 0.269 0.000 0.899 326 K CB 0.237 32.895 32.500 0.263 0.000 1.038 326 K HN 0.385 nan 8.250 nan 0.000 0.496 327 P HA -0.023 nan 4.420 nan 0.000 0.265 327 P C -0.085 177.386 177.300 0.285 0.000 1.193 327 P CA 0.084 63.334 63.100 0.249 0.000 0.765 327 P CB 0.368 32.200 31.700 0.219 0.000 0.823 328 L N 4.115 125.517 121.223 0.298 0.000 2.525 328 L HA 0.116 4.453 4.340 -0.006 0.000 0.278 328 L C 0.122 177.123 176.870 0.218 0.000 1.218 328 L CA 0.335 55.367 54.840 0.321 0.000 0.878 328 L CB 0.058 42.330 42.059 0.354 0.000 1.127 328 L HN 0.318 nan 8.230 nan 0.000 0.492 329 I N 3.402 124.082 120.570 0.182 0.000 2.493 329 I HA 0.368 4.535 4.170 -0.006 0.000 0.298 329 I C 0.030 176.217 176.117 0.118 0.000 0.998 329 I CA -0.176 61.172 61.300 0.080 0.000 1.137 329 I CB 2.043 40.050 38.000 0.011 0.000 1.310 329 I HN 0.489 nan 8.210 nan 0.000 0.445 330 T N 4.518 119.144 114.554 0.121 0.000 2.894 330 T HA 0.602 4.948 4.350 -0.006 0.000 0.309 330 T C -1.479 173.299 174.700 0.130 0.000 1.208 330 T CA -0.427 61.787 62.100 0.191 0.000 1.016 330 T CB 1.580 70.672 68.868 0.373 0.000 1.192 330 T HN 0.204 nan 8.240 nan 0.000 0.491 331 V N 6.245 126.212 119.914 0.089 0.000 2.350 331 V HA 0.462 4.578 4.120 -0.006 0.000 0.285 331 V C -2.292 173.834 176.094 0.053 0.000 1.014 331 V CA -1.870 60.391 62.300 -0.066 0.000 0.831 331 V CB 1.303 32.866 31.823 -0.433 0.000 1.000 331 V HN 0.723 nan 8.190 nan 0.000 0.433 332 P HA 0.236 nan 4.420 nan 0.000 0.274 332 P C 1.056 178.403 177.300 0.078 0.000 1.237 332 P CA -0.139 62.890 63.100 -0.118 0.000 0.793 332 P CB 0.593 31.994 31.700 -0.497 0.000 0.977 333 T N -1.007 113.557 114.554 0.017 0.000 2.759 333 T HA -0.135 4.212 4.350 -0.006 0.000 0.269 333 T C 0.320 174.879 174.700 -0.235 0.000 1.042 333 T CA 1.467 63.479 62.100 -0.147 0.000 1.140 333 T CB -0.470 68.159 68.868 -0.400 0.000 0.864 333 T HN 0.509 nan 8.240 nan 0.000 0.455 334 E N 0.990 120.982 120.200 -0.347 0.000 2.081 334 E HA 0.279 4.626 4.350 -0.006 0.000 0.281 334 E C -0.441 176.133 176.600 -0.043 0.000 0.986 334 E CA -0.392 55.864 56.400 -0.240 0.000 0.796 334 E CB 0.594 30.212 29.700 -0.136 0.000 1.085 334 E HN 0.698 nan 8.360 nan 0.000 0.398 335 Y N 0.827 121.091 120.300 -0.060 0.000 2.672 335 Y HA 0.254 4.800 4.550 -0.006 0.000 0.252 335 Y C -0.315 175.644 175.900 0.097 0.000 1.132 335 Y CA -0.835 57.262 58.100 -0.005 0.000 1.228 335 Y CB 0.529 38.902 38.460 -0.144 0.000 1.310 335 Y HN 0.244 nan 8.280 nan 0.000 0.549 336 D N -0.685 119.703 120.400 -0.019 0.000 2.601 336 D HA 0.176 4.813 4.640 -0.006 0.000 0.230 336 D C -0.022 176.383 176.300 0.175 0.000 1.106 336 D CA -0.534 53.548 54.000 0.137 0.000 0.873 336 D CB 2.337 43.120 40.800 -0.029 0.000 1.515 336 D HN -0.036 nan 8.370 nan 0.000 0.468 337 T N 1.095 115.830 114.554 0.302 0.000 2.699 337 T HA -0.104 4.243 4.350 -0.006 0.000 0.268 337 T C 1.866 176.617 174.700 0.086 0.000 1.036 337 T CA 1.820 64.049 62.100 0.215 0.000 1.147 337 T CB -0.558 68.464 68.868 0.256 0.000 0.862 337 T HN 0.718 nan 8.240 nan 0.000 0.446 338 G N 0.761 109.589 108.800 0.048 0.000 2.432 338 G HA2 0.005 3.961 3.960 -0.006 0.000 0.219 338 G HA3 0.005 3.961 3.960 -0.006 0.000 0.219 338 G C 1.624 176.497 174.900 -0.045 0.000 1.135 338 G CA 0.781 45.880 45.100 -0.002 0.000 0.767 338 G HN 0.612 nan 8.290 nan 0.000 0.550 339 A N -0.293 122.475 122.820 -0.086 0.000 2.178 339 A HA 0.447 4.763 4.320 -0.006 0.000 0.211 339 A C 2.208 179.749 177.584 -0.072 0.000 1.157 339 A CA 0.745 52.703 52.037 -0.131 0.000 0.780 339 A CB -0.048 18.791 19.000 -0.270 0.000 0.828 339 A HN 0.375 nan 8.150 nan 0.000 0.476 340 M N -1.180 118.412 119.600 -0.013 0.000 2.514 340 M HA 0.182 4.659 4.480 -0.006 0.000 0.258 340 M C -0.491 175.822 176.300 0.022 0.000 1.159 340 M CA 0.629 55.949 55.300 0.034 0.000 1.116 340 M CB 0.931 33.583 32.600 0.087 0.000 1.333 340 M HN 0.019 nan 8.290 nan 0.000 0.487 341 V N -0.368 119.553 119.914 0.011 0.000 2.709 341 V HA 0.462 4.579 4.120 -0.006 0.000 0.308 341 V C -0.881 175.210 176.094 -0.005 0.000 1.062 341 V CA -0.735 61.565 62.300 0.001 0.000 0.901 341 V CB 2.060 33.887 31.823 0.006 0.000 1.003 341 V HN 0.104 nan 8.190 nan 0.000 0.425 342 S N 3.952 119.646 115.700 -0.010 0.000 2.561 342 S HA 0.473 4.940 4.470 -0.006 0.000 0.303 342 S C -0.066 174.527 174.600 -0.011 0.000 1.110 342 S CA -0.568 57.626 58.200 -0.011 0.000 1.034 342 S CB 0.462 63.654 63.200 -0.014 0.000 1.010 342 S HN 0.854 nan 8.310 nan 0.000 0.482 343 N N 3.243 121.938 118.700 -0.008 0.000 2.667 343 N HA -0.192 4.545 4.740 -0.006 0.000 0.263 343 N C 0.917 176.420 175.510 -0.011 0.000 1.038 343 N CA 1.301 54.346 53.050 -0.008 0.000 0.749 343 N CB -1.494 36.987 38.487 -0.009 0.000 0.892 343 N HN 1.450 nan 8.380 nan 0.000 0.546 344 G N -1.205 107.589 108.800 -0.011 0.000 2.196 344 G HA2 -0.349 3.608 3.960 -0.006 0.000 0.268 344 G HA3 -0.349 3.608 3.960 -0.006 0.000 0.268 344 G C -0.043 174.840 174.900 -0.027 0.000 0.975 344 G CA 0.938 46.027 45.100 -0.018 0.000 0.648 344 G HN 0.547 nan 8.290 nan 0.000 0.538 345 Q N 0.066 119.850 119.800 -0.026 0.000 2.387 345 Q HA 0.485 4.822 4.340 -0.006 0.000 0.273 345 Q C -2.577 173.402 176.000 -0.036 0.000 1.089 345 Q CA -1.962 53.820 55.803 -0.035 0.000 0.824 345 Q CB 2.625 31.344 28.738 -0.032 0.000 1.367 345 Q HN 0.244 nan 8.270 nan 0.000 0.443 346 P HA 0.117 nan 4.420 nan 0.000 0.271 346 P C -0.254 177.029 177.300 -0.028 0.000 1.218 346 P CA -0.024 63.049 63.100 -0.045 0.000 0.780 346 P CB 1.022 32.671 31.700 -0.085 0.000 0.901 347 R N 1.434 121.930 120.500 -0.006 0.000 2.822 347 R HA 0.236 4.572 4.340 -0.006 0.000 0.277 347 R C 1.834 178.141 176.300 0.012 0.000 1.102 347 R CA -0.126 55.976 56.100 0.004 0.000 1.207 347 R CB -0.190 30.119 30.300 0.015 0.000 1.139 347 R HN 0.478 nan 8.270 nan 0.000 0.557 348 A N 1.012 123.841 122.820 0.015 0.000 1.873 348 A HA -0.274 4.043 4.320 -0.006 0.000 0.218 348 A C 2.065 179.663 177.584 0.024 0.000 1.193 348 A CA 1.883 53.924 52.037 0.007 0.000 0.629 348 A CB -0.944 18.060 19.000 0.006 0.000 0.826 348 A HN 0.868 nan 8.150 nan 0.000 0.447 349 Y N 0.811 121.083 120.300 -0.047 0.000 2.145 349 Y HA -0.199 4.348 4.550 -0.006 0.000 0.286 349 Y C 2.729 178.634 175.900 0.008 0.000 1.145 349 Y CA 2.517 60.596 58.100 -0.036 0.000 1.148 349 Y CB -0.613 37.820 38.460 -0.044 0.000 0.981 349 Y HN 0.302 nan 8.280 nan 0.000 0.507 350 T N 1.026 115.698 114.554 0.196 0.000 2.788 350 T HA -0.187 4.160 4.350 -0.006 0.000 0.268 350 T C 1.912 176.561 174.700 -0.085 0.000 1.044 350 T CA 1.538 63.700 62.100 0.104 0.000 1.139 350 T CB -0.322 68.613 68.868 0.112 0.000 0.867 350 T HN 0.362 nan 8.240 nan 0.000 0.454 351 R N 0.703 121.150 120.500 -0.088 0.000 2.083 351 R HA -0.039 4.298 4.340 -0.006 0.000 0.237 351 R C 2.327 178.537 176.300 -0.150 0.000 1.137 351 R CA 1.501 57.523 56.100 -0.130 0.000 0.951 351 R CB -0.428 29.816 30.300 -0.093 0.000 0.851 351 R HN 0.376 nan 8.270 nan 0.000 0.434 352 I N 0.023 120.502 120.570 -0.152 0.000 2.252 352 I HA -0.236 3.931 4.170 -0.006 0.000 0.245 352 I C 2.200 178.195 176.117 -0.203 0.000 1.102 352 I CA 1.055 62.244 61.300 -0.185 0.000 1.385 352 I CB -0.298 37.576 38.000 -0.211 0.000 1.064 352 I HN 0.185 nan 8.210 nan 0.000 0.414 353 F N 1.667 121.384 119.950 -0.389 0.000 2.102 353 F HA -0.236 4.288 4.527 -0.005 0.000 0.298 353 F C 2.548 178.262 175.800 -0.143 0.000 1.105 353 F CA 1.626 59.444 58.000 -0.303 0.000 1.239 353 F CB -0.176 38.617 39.000 -0.345 0.000 0.991 353 F HN -0.006 nan 8.300 nan 0.000 0.474 354 A N -0.278 122.501 122.820 -0.068 0.000 1.933 354 A HA -0.255 4.062 4.320 -0.006 0.000 0.218 354 A C 1.977 179.455 177.584 -0.177 0.000 1.175 354 A CA 1.913 53.750 52.037 -0.333 0.000 0.628 354 A CB -0.882 17.599 19.000 -0.865 0.000 0.814 354 A HN 0.504 nan 8.150 nan 0.000 0.444 355 E N -0.458 119.638 120.200 -0.173 0.000 2.208 355 E HA -0.081 4.266 4.350 -0.006 0.000 0.193 355 E C 1.711 178.232 176.600 -0.133 0.000 0.988 355 E CA 1.873 58.192 56.400 -0.135 0.000 0.828 355 E CB -0.267 29.355 29.700 -0.129 0.000 0.763 355 E HN 0.506 nan 8.360 nan 0.000 0.478 356 T N -0.687 113.756 114.554 -0.185 0.000 3.033 356 T HA 0.146 4.493 4.350 -0.006 0.000 0.248 356 T C 0.431 175.008 174.700 -0.206 0.000 1.040 356 T CA 0.235 62.213 62.100 -0.204 0.000 1.133 356 T CB 0.238 68.946 68.868 -0.266 0.000 0.895 356 T HN 0.009 nan 8.240 nan 0.000 0.465 357 V N 3.456 123.210 119.914 -0.267 0.000 2.521 357 V HA 0.120 4.236 4.120 -0.006 0.000 0.286 357 V C -0.433 175.636 176.094 -0.042 0.000 1.034 357 V CA -0.608 61.561 62.300 -0.218 0.000 1.045 357 V CB 0.370 31.975 31.823 -0.364 0.000 0.974 357 V HN 0.326 nan 8.190 nan 0.000 0.480 358 D N 8.470 128.867 120.400 -0.005 0.000 2.525 358 D HA 0.058 4.695 4.640 -0.006 0.000 0.235 358 D C -1.471 174.873 176.300 0.073 0.000 1.137 358 D CA -1.014 53.010 54.000 0.039 0.000 0.868 358 D CB 1.027 41.865 40.800 0.062 0.000 1.180 358 D HN 0.408 nan 8.370 nan 0.000 0.465 359 P HA -0.131 nan 4.420 nan 0.000 0.221 359 P C 0.992 178.353 177.300 0.103 0.000 1.145 359 P CA 1.039 64.192 63.100 0.089 0.000 0.795 359 P CB 0.119 31.861 31.700 0.070 0.000 0.775 360 S N -1.781 113.980 115.700 0.102 0.000 2.607 360 S HA 0.034 4.501 4.470 -0.006 0.000 0.224 360 S C 0.725 175.409 174.600 0.139 0.000 0.969 360 S CA 0.053 58.323 58.200 0.117 0.000 0.927 360 S CB -1.034 62.232 63.200 0.111 0.000 0.772 360 S HN 0.044 nan 8.310 nan 0.000 0.533 361 I N 2.556 123.211 120.570 0.141 0.000 2.365 361 I HA 0.242 4.408 4.170 -0.006 0.000 0.291 361 I C 0.012 176.207 176.117 0.130 0.000 1.004 361 I CA -0.578 60.816 61.300 0.157 0.000 1.311 361 I CB 0.991 39.096 38.000 0.174 0.000 1.401 361 I HN 0.099 nan 8.210 nan 0.000 0.491 362 E N 5.917 126.178 120.200 0.102 0.000 2.299 362 E HA 0.198 4.545 4.350 -0.006 0.000 0.272 362 E C -0.775 175.826 176.600 0.002 0.000 1.043 362 E CA -0.152 56.259 56.400 0.017 0.000 0.895 362 E CB 1.588 31.210 29.700 -0.131 0.000 1.011 362 E HN 0.216 nan 8.360 nan 0.000 0.432 363 V N 5.217 125.117 119.914 -0.024 0.000 2.417 363 V HA 0.305 4.422 4.120 -0.006 0.000 0.291 363 V C 0.333 176.404 176.094 -0.038 0.000 1.024 363 V CA -0.536 61.723 62.300 -0.068 0.000 0.861 363 V CB 1.311 32.944 31.823 -0.318 0.000 0.985 363 V HN 0.572 nan 8.190 nan 0.000 0.436 364 M N 5.192 124.801 119.600 0.015 0.000 2.264 364 M HA 0.502 4.979 4.480 -0.006 0.000 0.352 364 M C -0.671 175.790 176.300 0.267 0.000 1.173 364 M CA -0.191 55.190 55.300 0.134 0.000 1.075 364 M CB 1.516 34.169 32.600 0.088 0.000 1.621 364 M HN 0.895 nan 8.290 nan 0.000 0.457 365 W N 2.087 123.428 121.300 0.068 0.000 3.029 365 W HA 0.575 5.232 4.660 -0.006 0.000 0.339 365 W C 0.053 176.698 176.519 0.209 0.000 1.198 365 W CA -0.673 56.742 57.345 0.117 0.000 1.148 365 W CB 0.961 30.480 29.460 0.098 0.000 1.451 365 W HN 0.696 nan 8.180 nan 0.000 0.564 366 T N 0.004 114.439 114.554 -0.198 0.000 3.069 366 T HA 0.516 4.862 4.350 -0.006 0.000 0.252 366 T C 0.774 175.274 174.700 -0.333 0.000 1.053 366 T CA 0.588 62.580 62.100 -0.181 0.000 0.964 366 T CB -0.373 68.502 68.868 0.012 0.000 1.005 366 T HN 1.895 nan 8.240 nan 0.000 0.532 367 G N 1.890 110.120 108.800 -0.950 0.000 2.447 367 G HA2 -0.044 3.912 3.960 -0.006 0.000 0.220 367 G HA3 -0.044 3.912 3.960 -0.006 0.000 0.220 367 G C -2.493 172.490 174.900 0.139 0.000 1.261 367 G CA -0.374 44.531 45.100 -0.325 0.000 1.000 367 G HN 0.021 nan 8.290 nan 0.000 0.515 368 P HA 0.157 nan 4.420 nan 0.000 0.221 368 P C 1.073 178.448 177.300 0.124 0.000 1.145 368 P CA 2.408 65.625 63.100 0.196 0.000 0.795 368 P CB -0.027 31.768 31.700 0.159 0.000 0.775 369 G N -2.800 106.055 108.800 0.092 0.000 2.708 369 G HA2 0.332 4.288 3.960 -0.006 0.000 0.289 369 G HA3 0.332 4.288 3.960 -0.006 0.000 0.289 369 G C 0.568 175.493 174.900 0.041 0.000 1.416 369 G CA -0.479 44.654 45.100 0.055 0.000 0.829 369 G HN -0.222 nan 8.290 nan 0.000 0.480 370 V N -0.595 119.351 119.914 0.054 0.000 2.287 370 V HA -0.047 4.070 4.120 -0.006 0.000 0.248 370 V C 0.974 177.095 176.094 0.044 0.000 1.053 370 V CA 1.353 63.708 62.300 0.091 0.000 1.027 370 V CB -0.463 31.444 31.823 0.141 0.000 0.646 370 V HN 0.385 nan 8.190 nan 0.000 0.447 371 V N -0.202 119.725 119.914 0.022 0.000 2.443 371 V HA 0.619 4.735 4.120 -0.006 0.000 0.293 371 V C -0.401 175.578 176.094 -0.192 0.000 1.021 371 V CA -0.096 62.074 62.300 -0.217 0.000 0.848 371 V CB 1.402 32.915 31.823 -0.516 0.000 0.998 371 V HN 0.404 nan 8.190 nan 0.000 0.424 372 T N 2.564 116.998 114.554 -0.200 0.000 2.894 372 T HA 0.328 4.674 4.350 -0.006 0.000 0.309 372 T C 0.721 175.432 174.700 0.018 0.000 1.208 372 T CA -0.477 61.589 62.100 -0.056 0.000 1.016 372 T CB 1.818 70.712 68.868 0.044 0.000 1.192 372 T HN 0.508 nan 8.240 nan 0.000 0.491 373 N N 1.535 120.272 118.700 0.062 0.000 2.069 373 N HA 0.013 4.749 4.740 -0.006 0.000 0.191 373 N C 0.221 175.864 175.510 0.222 0.000 1.031 373 N CA 1.365 54.480 53.050 0.109 0.000 0.852 373 N CB 0.070 38.596 38.487 0.066 0.000 1.018 373 N HN 0.672 nan 8.380 nan 0.000 0.423 374 E N -1.036 119.303 120.200 0.232 0.000 2.408 374 E HA 0.436 4.783 4.350 -0.006 0.000 0.275 374 E C -0.817 175.880 176.600 0.162 0.000 0.935 374 E CA -0.507 55.985 56.400 0.154 0.000 0.775 374 E CB 2.471 32.202 29.700 0.052 0.000 1.277 374 E HN -0.078 nan 8.360 nan 0.000 0.455 375 I N 3.333 123.895 120.570 -0.013 0.000 2.503 375 I HA 0.258 4.424 4.170 -0.006 0.000 0.277 375 I C -2.280 173.864 176.117 0.046 0.000 1.078 375 I CA -1.968 59.349 61.300 0.027 0.000 1.184 375 I CB 0.688 38.639 38.000 -0.082 0.000 1.353 375 I HN 0.101 nan 8.210 nan 0.000 0.490 376 P HA 0.045 nan 4.420 nan 0.000 0.274 376 P C 0.865 178.241 177.300 0.127 0.000 1.237 376 P CA -0.489 62.659 63.100 0.080 0.000 0.793 376 P CB 1.686 33.429 31.700 0.072 0.000 0.977 377 L N 2.600 123.899 121.223 0.127 0.000 2.051 377 L HA -0.260 4.076 4.340 -0.006 0.000 0.214 377 L C 2.597 179.554 176.870 0.145 0.000 1.076 377 L CA 2.874 57.824 54.840 0.183 0.000 0.758 377 L CB -1.605 40.561 42.059 0.179 0.000 0.890 377 L HN 0.546 nan 8.230 nan 0.000 0.433 378 S N -1.841 113.916 115.700 0.094 0.000 2.400 378 S HA -0.250 4.217 4.470 -0.006 0.000 0.232 378 S C 1.839 176.452 174.600 0.022 0.000 1.025 378 S CA 1.352 59.577 58.200 0.041 0.000 0.993 378 S CB -0.816 62.410 63.200 0.044 0.000 0.808 378 S HN 0.631 nan 8.310 nan 0.000 0.478 379 D N 1.844 122.302 120.400 0.097 0.000 2.117 379 D HA 0.064 4.701 4.640 -0.006 0.000 0.198 379 D C 2.079 178.458 176.300 0.132 0.000 0.982 379 D CA 1.306 55.400 54.000 0.157 0.000 0.828 379 D CB -0.509 40.460 40.800 0.282 0.000 0.967 379 D HN 0.495 nan 8.370 nan 0.000 0.464 380 A N 0.132 123.061 122.820 0.181 0.000 1.898 380 A HA -0.201 4.116 4.320 -0.006 0.000 0.216 380 A C 2.174 179.528 177.584 -0.384 0.000 1.181 380 A CA 1.667 53.764 52.037 0.100 0.000 0.620 380 A CB -0.878 18.359 19.000 0.396 0.000 0.819 380 A HN 0.386 nan 8.150 nan 0.000 0.442 381 Q N -0.728 118.676 119.800 -0.660 0.000 2.077 381 Q HA -0.234 4.102 4.340 -0.006 0.000 0.206 381 Q C 2.025 177.716 176.000 -0.515 0.000 0.989 381 Q CA 1.983 57.129 55.803 -1.096 0.000 0.853 381 Q CB -0.296 28.044 28.738 -0.663 0.000 0.907 381 Q HN 0.573 nan 8.270 nan 0.000 0.418 382 L N 0.471 121.519 121.223 -0.290 0.000 1.989 382 L HA -0.208 4.128 4.340 -0.006 0.000 0.211 382 L C 2.131 178.874 176.870 -0.211 0.000 1.071 382 L CA 1.679 56.407 54.840 -0.186 0.000 0.749 382 L CB -0.484 41.515 42.059 -0.100 0.000 0.890 382 L HN 0.309 nan 8.230 nan 0.000 0.431 383 I N -1.116 119.269 120.570 -0.307 0.000 2.286 383 I HA -0.173 3.993 4.170 -0.006 0.000 0.245 383 I C 2.684 178.654 176.117 -0.244 0.000 1.104 383 I CA 1.463 62.542 61.300 -0.367 0.000 1.397 383 I CB -1.451 36.002 38.000 -0.912 0.000 1.072 383 I HN 0.372 nan 8.210 nan 0.000 0.417 384 S N 1.129 116.648 115.700 -0.301 0.000 2.370 384 S HA -0.147 4.320 4.470 -0.006 0.000 0.226 384 S C 2.198 176.769 174.600 -0.049 0.000 1.033 384 S CA 1.723 59.849 58.200 -0.123 0.000 1.011 384 S CB -0.631 62.518 63.200 -0.085 0.000 0.852 384 S HN 0.530 nan 8.310 nan 0.000 0.457 385 G N 1.535 110.262 108.800 -0.122 0.000 2.476 385 G HA2 -0.201 3.756 3.960 -0.006 0.000 0.218 385 G HA3 -0.201 3.756 3.960 -0.006 0.000 0.218 385 G C 1.409 176.276 174.900 -0.055 0.000 1.164 385 G CA 1.125 46.182 45.100 -0.072 0.000 0.768 385 G HN 0.574 nan 8.290 nan 0.000 0.560 386 I N -1.022 119.500 120.570 -0.080 0.000 2.208 386 I HA -0.180 3.987 4.170 -0.006 0.000 0.245 386 I C 2.213 178.222 176.117 -0.180 0.000 1.097 386 I CA 1.122 62.342 61.300 -0.134 0.000 1.363 386 I CB -0.134 37.770 38.000 -0.159 0.000 1.051 386 I HN 0.167 nan 8.210 nan 0.000 0.413 387 Y N -0.022 120.251 120.300 -0.046 0.000 2.466 387 Y HA 0.058 4.605 4.550 -0.006 0.000 0.272 387 Y C 0.981 176.887 175.900 0.011 0.000 1.169 387 Y CA 0.005 58.105 58.100 0.000 0.000 1.285 387 Y CB -0.151 38.318 38.460 0.015 0.000 1.078 387 Y HN 0.220 nan 8.280 nan 0.000 0.523 388 N N 1.295 120.059 118.700 0.105 0.000 2.727 388 N HA -0.258 4.479 4.740 -0.006 0.000 0.249 388 N C -1.078 174.499 175.510 0.111 0.000 1.048 388 N CA 1.059 54.159 53.050 0.082 0.000 0.714 388 N CB -0.704 37.812 38.487 0.049 0.000 0.959 388 N HN 0.575 nan 8.380 nan 0.000 0.544 389 R N -1.972 118.608 120.500 0.134 0.000 2.780 389 R HA 0.364 4.701 4.340 -0.006 0.000 0.280 389 R C -1.024 175.364 176.300 0.148 0.000 1.016 389 R CA -0.881 55.300 56.100 0.136 0.000 0.854 389 R CB -0.120 30.263 30.300 0.137 0.000 1.293 389 R HN 0.104 nan 8.270 nan 0.000 0.483 390 N N 0.600 119.392 118.700 0.153 0.000 2.492 390 N HA 0.210 4.947 4.740 -0.006 0.000 0.262 390 N C -0.351 175.263 175.510 0.173 0.000 1.202 390 N CA -0.077 53.080 53.050 0.179 0.000 0.926 390 N CB 0.465 39.053 38.487 0.169 0.000 1.078 390 N HN 0.242 nan 8.380 nan 0.000 0.454 391 M N 1.468 121.189 119.600 0.203 0.000 2.471 391 M HA 0.471 4.948 4.480 -0.006 0.000 0.309 391 M C 0.068 176.570 176.300 0.337 0.000 1.186 391 M CA -0.906 54.520 55.300 0.209 0.000 1.008 391 M CB 1.050 33.734 32.600 0.140 0.000 1.551 391 M HN 0.490 nan 8.290 nan 0.000 0.477 392 A N 1.454 124.451 122.820 0.295 0.000 2.305 392 A HA 0.676 4.992 4.320 -0.006 0.000 0.322 392 A C -0.632 177.206 177.584 0.423 0.000 1.187 392 A CA -0.637 51.581 52.037 0.301 0.000 0.825 392 A CB 0.742 19.648 19.000 -0.157 0.000 1.164 392 A HN 0.578 nan 8.150 nan 0.000 0.498 393 V N 3.088 123.249 119.914 0.412 0.000 2.427 393 V HA 0.315 4.432 4.120 -0.006 0.000 0.286 393 V C -0.668 175.534 176.094 0.179 0.000 1.034 393 V CA -0.503 61.939 62.300 0.237 0.000 0.893 393 V CB 1.460 33.434 31.823 0.252 0.000 0.982 393 V HN 0.877 nan 8.190 nan 0.000 0.452 394 W N 7.206 128.482 121.300 -0.041 0.000 2.296 394 W HA 0.337 4.994 4.660 -0.006 0.000 0.316 394 W C -1.007 175.521 176.519 0.015 0.000 1.022 394 W CA -1.652 55.657 57.345 -0.061 0.000 1.324 394 W CB 1.283 30.673 29.460 -0.117 0.000 1.227 394 W HN 0.739 nan 8.180 nan 0.000 0.409 395 W N 8.870 130.142 121.300 -0.047 0.000 2.283 395 W HA 0.197 4.853 4.660 -0.006 0.000 0.317 395 W C -0.135 176.468 176.519 0.139 0.000 1.042 395 W CA -0.550 56.809 57.345 0.023 0.000 1.348 395 W CB 0.811 30.217 29.460 -0.090 0.000 1.216 395 W HN 0.263 nan 8.180 nan 0.000 0.404 396 N N 6.006 124.626 118.700 -0.132 0.000 3.127 396 N HA -0.051 4.685 4.740 -0.006 0.000 0.317 396 N C -1.490 173.883 175.510 -0.228 0.000 1.242 396 N CA 0.640 53.648 53.050 -0.069 0.000 1.203 396 N CB -0.437 38.082 38.487 0.054 0.000 1.462 396 N HN 0.416 nan 8.380 nan 0.000 0.546 397 Y N 0.361 120.446 120.300 -0.358 0.000 2.436 397 Y HA 0.270 4.816 4.550 -0.006 0.000 0.327 397 Y C -2.349 173.592 175.900 0.068 0.000 1.138 397 Y CA -1.486 56.519 58.100 -0.158 0.000 1.042 397 Y CB 2.387 40.713 38.460 -0.224 0.000 1.302 397 Y HN 0.049 nan 8.280 nan 0.000 0.439 398 P HA 0.037 nan 4.420 nan 0.000 0.258 398 P C 0.115 177.194 177.300 -0.368 0.000 1.416 398 P CA 0.240 62.907 63.100 -0.722 0.000 0.927 398 P CB 0.406 31.835 31.700 -0.452 0.000 1.444 399 V N 2.349 122.183 119.914 -0.134 0.000 2.790 399 V HA -0.077 4.040 4.120 -0.006 0.000 0.304 399 V C 1.185 177.202 176.094 -0.128 0.000 1.142 399 V CA 2.101 64.372 62.300 -0.049 0.000 1.282 399 V CB 0.114 32.015 31.823 0.130 0.000 0.877 399 V HN 0.424 nan 8.190 nan 0.000 0.504 400 T N 0.601 115.030 114.554 -0.209 0.000 3.170 400 T HA 0.173 4.520 4.350 -0.006 0.000 0.288 400 T C 0.886 175.363 174.700 -0.373 0.000 0.992 400 T CA 0.307 62.161 62.100 -0.409 0.000 0.909 400 T CB -0.063 68.661 68.868 -0.241 0.000 1.133 400 T HN 0.841 nan 8.240 nan 0.000 0.530 401 D N 2.370 122.701 120.400 -0.115 0.000 2.190 401 D HA -0.250 4.387 4.640 -0.006 0.000 0.200 401 D C 1.599 177.958 176.300 0.097 0.000 0.992 401 D CA 1.443 55.490 54.000 0.078 0.000 0.854 401 D CB -0.900 40.086 40.800 0.310 0.000 0.936 401 D HN 0.746 nan 8.370 nan 0.000 0.462 402 Y N -2.424 117.978 120.300 0.169 0.000 2.546 402 Y HA 0.331 4.878 4.550 -0.006 0.000 0.287 402 Y C 0.215 176.236 175.900 0.202 0.000 1.158 402 Y CA -0.738 57.464 58.100 0.170 0.000 1.307 402 Y CB -0.251 38.264 38.460 0.093 0.000 1.036 402 Y HN -0.065 nan 8.280 nan 0.000 0.532 403 F N 1.387 121.072 119.950 -0.440 0.000 2.883 403 F HA 0.382 4.906 4.527 -0.006 0.000 0.383 403 F C 0.494 176.128 175.800 -0.276 0.000 1.342 403 F CA -1.547 56.284 58.000 -0.281 0.000 1.150 403 F CB 0.336 39.171 39.000 -0.276 0.000 2.189 403 F HN -0.187 nan 8.300 nan 0.000 0.593 404 K N 0.447 120.696 120.400 -0.251 0.000 2.283 404 K HA -0.011 4.306 4.320 -0.006 0.000 0.202 404 K C 2.074 178.494 176.600 -0.299 0.000 1.048 404 K CA 0.990 57.203 56.287 -0.123 0.000 0.948 404 K CB -0.011 32.577 32.500 0.146 0.000 0.742 404 K HN 0.642 nan 8.250 nan 0.000 0.458 405 G N 1.893 110.179 108.800 -0.856 0.000 2.470 405 G HA2 -0.222 3.735 3.960 -0.006 0.000 0.220 405 G HA3 -0.222 3.735 3.960 -0.006 0.000 0.220 405 G C 0.526 175.056 174.900 -0.616 0.000 1.121 405 G CA 0.363 44.701 45.100 -1.271 0.000 0.766 405 G HN 0.179 nan 8.290 nan 0.000 0.553 406 K N 0.012 120.167 120.400 -0.409 0.000 2.182 406 K HA 0.569 4.886 4.320 -0.006 0.000 0.262 406 K C -0.587 175.965 176.600 -0.080 0.000 0.957 406 K CA -0.781 55.414 56.287 -0.154 0.000 0.842 406 K CB 1.018 33.541 32.500 0.039 0.000 1.099 406 K HN -0.015 nan 8.250 nan 0.000 0.438 407 L N 2.995 124.185 121.223 -0.055 0.000 2.312 407 L HA 0.460 4.797 4.340 -0.006 0.000 0.281 407 L C -0.036 176.805 176.870 -0.048 0.000 1.070 407 L CA -0.800 54.024 54.840 -0.027 0.000 0.805 407 L CB 1.635 43.681 42.059 -0.021 0.000 1.174 407 L HN 0.693 nan 8.230 nan 0.000 0.434 408 A N 4.081 126.852 122.820 -0.081 0.000 2.341 408 A HA 0.568 4.884 4.320 -0.006 0.000 0.326 408 A C 0.063 177.621 177.584 -0.043 0.000 1.402 408 A CA -0.255 51.695 52.037 -0.146 0.000 0.957 408 A CB 0.221 18.922 19.000 -0.498 0.000 1.151 408 A HN 0.603 nan 8.150 nan 0.000 0.533 409 L N 2.662 123.938 121.223 0.090 0.000 3.122 409 L HA 0.301 4.637 4.340 -0.006 0.000 0.274 409 L C 1.186 178.288 176.870 0.387 0.000 1.222 409 L CA 0.259 55.219 54.840 0.201 0.000 1.028 409 L CB 0.163 42.294 42.059 0.120 0.000 1.386 409 L HN 0.717 nan 8.230 nan 0.000 0.578 410 G N -0.226 108.797 108.800 0.373 0.000 2.531 410 G HA2 0.606 4.562 3.960 -0.006 0.000 0.313 410 G HA3 0.606 4.562 3.960 -0.006 0.000 0.313 410 G C -2.698 172.489 174.900 0.478 0.000 1.238 410 G CA -0.963 44.297 45.100 0.265 0.000 0.994 410 G HN -0.097 nan 8.290 nan 0.000 0.493 411 P HA 0.225 nan 4.420 nan 0.000 0.278 411 P C -0.031 177.474 177.300 0.342 0.000 1.266 411 P CA -0.650 62.739 63.100 0.483 0.000 0.807 411 P CB 0.788 32.817 31.700 0.549 0.000 1.094 412 M N 1.464 121.289 119.600 0.376 0.000 2.255 412 M HA -0.038 4.439 4.480 -0.006 0.000 0.356 412 M C 0.591 176.946 176.300 0.093 0.000 1.338 412 M CA 1.440 56.822 55.300 0.137 0.000 0.962 412 M CB -1.540 30.931 32.600 -0.216 0.000 1.877 412 M HN 0.528 nan 8.290 nan 0.000 0.463 413 H N 0.542 119.506 119.070 -0.177 0.000 2.954 413 H HA 0.372 4.924 4.556 -0.006 0.000 0.361 413 H C 0.700 175.910 175.328 -0.196 0.000 1.122 413 H CA 0.840 56.727 56.048 -0.269 0.000 1.217 413 H CB 1.476 30.978 29.762 -0.433 0.000 1.776 413 H HN 0.829 nan 8.280 nan 0.000 0.533 414 G N 3.657 112.040 108.800 -0.695 0.000 2.179 414 G HA2 -0.250 3.706 3.960 -0.006 0.000 0.260 414 G HA3 -0.250 3.706 3.960 -0.006 0.000 0.260 414 G C -0.036 174.673 174.900 -0.319 0.000 0.977 414 G CA 0.342 45.200 45.100 -0.403 0.000 0.641 414 G HN 0.488 nan 8.290 nan 0.000 0.533 415 L N 1.739 122.679 121.223 -0.470 0.000 2.260 415 L HA 0.360 4.696 4.340 -0.006 0.000 0.289 415 L C 0.600 177.337 176.870 -0.222 0.000 1.057 415 L CA -0.842 53.686 54.840 -0.521 0.000 0.811 415 L CB 0.999 42.460 42.059 -0.997 0.000 1.184 415 L HN 0.132 nan 8.230 nan 0.000 0.429 416 D N 3.114 123.469 120.400 -0.075 0.000 2.525 416 D HA -0.074 4.562 4.640 -0.006 0.000 0.235 416 D C 0.662 177.026 176.300 0.107 0.000 1.137 416 D CA 0.356 54.375 54.000 0.032 0.000 0.868 416 D CB 1.044 41.883 40.800 0.064 0.000 1.180 416 D HN 0.509 nan 8.370 nan 0.000 0.465 417 K N 1.791 122.257 120.400 0.110 0.000 2.525 417 K HA 0.027 4.343 4.320 -0.006 0.000 0.192 417 K C 1.452 178.059 176.600 0.012 0.000 1.029 417 K CA 0.365 56.713 56.287 0.102 0.000 1.029 417 K CB 0.373 32.941 32.500 0.115 0.000 0.814 417 K HN 0.412 nan 8.250 nan 0.000 0.503 418 G N 0.213 109.030 108.800 0.027 0.000 3.393 418 G HA2 -0.019 3.937 3.960 -0.006 0.000 0.255 418 G HA3 -0.019 3.937 3.960 -0.006 0.000 0.255 418 G C 0.915 175.820 174.900 0.008 0.000 1.097 418 G CA -0.266 44.834 45.100 -0.000 0.000 0.780 418 G HN 0.050 nan 8.290 nan 0.000 0.540 419 L N 2.214 123.460 121.223 0.038 0.000 2.187 419 L HA -0.100 4.237 4.340 -0.006 0.000 0.213 419 L C 2.647 179.563 176.870 0.076 0.000 1.100 419 L CA 1.556 56.463 54.840 0.112 0.000 0.765 419 L CB -0.394 41.741 42.059 0.127 0.000 0.904 419 L HN 0.472 nan 8.230 nan 0.000 0.437 420 N N -0.625 118.053 118.700 -0.037 0.000 2.364 420 N HA -0.296 4.441 4.740 -0.006 0.000 0.183 420 N C 1.716 177.181 175.510 -0.075 0.000 1.022 420 N CA 1.339 54.356 53.050 -0.055 0.000 0.883 420 N CB -0.560 37.856 38.487 -0.118 0.000 0.965 420 N HN 0.608 nan 8.380 nan 0.000 0.438 421 Q N -0.385 119.315 119.800 -0.167 0.000 2.152 421 Q HA -0.167 4.170 4.340 -0.006 0.000 0.206 421 Q C 0.488 176.225 176.000 -0.439 0.000 0.985 421 Q CA 1.581 57.154 55.803 -0.383 0.000 0.863 421 Q CB -0.045 28.322 28.738 -0.618 0.000 0.904 421 Q HN 0.569 nan 8.270 nan 0.000 0.422 422 Y N -1.887 118.460 120.300 0.079 0.000 2.527 422 Y HA 0.338 4.885 4.550 -0.006 0.000 0.247 422 Y C -0.511 175.475 175.900 0.145 0.000 1.138 422 Y CA -0.434 57.723 58.100 0.095 0.000 1.228 422 Y CB 1.430 39.943 38.460 0.087 0.000 1.252 422 Y HN -0.202 nan 8.280 nan 0.000 0.531 423 V N 1.622 121.700 119.914 0.274 0.000 2.577 423 V HA 0.228 4.344 4.120 -0.006 0.000 0.303 423 V C -0.258 175.971 176.094 0.225 0.000 1.042 423 V CA -0.723 61.762 62.300 0.309 0.000 0.872 423 V CB 1.980 34.029 31.823 0.377 0.000 0.998 423 V HN 0.256 nan 8.190 nan 0.000 0.423 424 D N 2.111 122.668 120.400 0.262 0.000 2.433 424 D HA 0.122 4.758 4.640 -0.006 0.000 0.211 424 D C -0.163 176.314 176.300 0.295 0.000 1.114 424 D CA 0.076 54.209 54.000 0.223 0.000 0.837 424 D CB 0.626 41.547 40.800 0.201 0.000 0.984 424 D HN 0.335 nan 8.370 nan 0.000 0.505 425 F N 0.740 120.810 119.950 0.200 0.000 2.617 425 F HA 0.468 4.992 4.527 -0.006 0.000 0.325 425 F C -2.075 173.894 175.800 0.283 0.000 1.179 425 F CA -1.359 56.765 58.000 0.207 0.000 0.965 425 F CB 1.707 40.817 39.000 0.184 0.000 1.232 425 F HN -0.220 nan 8.300 nan 0.000 0.461 426 F N 5.766 125.819 119.950 0.171 0.000 2.499 426 F HA 0.625 5.148 4.527 -0.006 0.000 0.333 426 F C -0.782 175.095 175.800 0.128 0.000 1.138 426 F CA -0.260 57.854 58.000 0.190 0.000 0.945 426 F CB 1.469 40.545 39.000 0.127 0.000 1.181 426 F HN 0.470 nan 8.300 nan 0.000 0.435 427 T N 3.323 117.588 114.554 -0.481 0.000 2.907 427 T HA 0.773 5.119 4.350 -0.006 0.000 0.292 427 T C -0.842 173.495 174.700 -0.606 0.000 1.043 427 T CA -0.729 61.103 62.100 -0.446 0.000 1.003 427 T CB 1.467 70.214 68.868 -0.202 0.000 1.084 427 T HN 0.816 nan 8.240 nan 0.000 0.483 428 V N -0.113 119.585 119.914 -0.361 0.000 2.628 428 V HA 0.740 4.857 4.120 -0.006 0.000 0.306 428 V C -0.575 175.392 176.094 -0.213 0.000 1.045 428 V CA -1.045 61.155 62.300 -0.167 0.000 0.905 428 V CB 1.590 33.469 31.823 0.093 0.000 0.997 428 V HN 0.933 nan 8.190 nan 0.000 0.436 429 N N 5.668 124.248 118.700 -0.199 0.000 2.414 429 N HA 0.611 5.348 4.740 -0.006 0.000 0.256 429 N C -2.481 173.052 175.510 0.039 0.000 1.029 429 N CA -1.842 51.120 53.050 -0.146 0.000 0.948 429 N CB 1.629 40.085 38.487 -0.053 0.000 1.102 429 N HN 0.653 nan 8.380 nan 0.000 0.496 430 P HA 0.323 nan 4.420 nan 0.000 0.301 430 P C -0.212 177.040 177.300 -0.080 0.000 1.309 430 P CA -0.542 62.627 63.100 0.115 0.000 0.782 430 P CB 1.220 33.123 31.700 0.339 0.000 1.282 431 M N -0.020 119.501 119.600 -0.132 0.000 2.227 431 M HA 0.119 4.595 4.480 -0.006 0.000 0.316 431 M C 1.859 177.646 176.300 -0.855 0.000 1.144 431 M CA 0.016 55.094 55.300 -0.370 0.000 1.121 431 M CB 0.185 32.704 32.600 -0.135 0.000 1.440 431 M HN 0.453 nan 8.290 nan 0.000 0.473 432 E N -0.094 119.448 120.200 -1.097 0.000 2.265 432 E HA -0.166 4.181 4.350 -0.006 0.000 0.196 432 E C -0.124 176.348 176.600 -0.213 0.000 0.996 432 E CA 1.101 56.955 56.400 -0.910 0.000 0.832 432 E CB -0.255 29.131 29.700 -0.523 0.000 0.756 432 E HN 0.502 nan 8.360 nan 0.000 0.491 433 H N 0.777 119.839 119.070 -0.014 0.000 3.118 433 H HA 0.314 4.866 4.556 -0.006 0.000 0.266 433 H C 0.916 176.259 175.328 0.025 0.000 1.465 433 H CA 0.255 56.320 56.048 0.028 0.000 1.460 433 H CB 0.761 30.525 29.762 0.003 0.000 1.661 433 H HN 0.279 nan 8.280 nan 0.000 0.516 434 A N 2.927 125.749 122.820 0.003 0.000 1.883 434 A HA -0.256 4.060 4.320 -0.006 0.000 0.217 434 A C 2.369 179.782 177.584 -0.285 0.000 1.186 434 A CA 1.910 53.700 52.037 -0.410 0.000 0.624 434 A CB -0.056 18.296 19.000 -1.081 0.000 0.822 434 A HN 0.549 nan 8.150 nan 0.000 0.444 435 E N 0.048 120.132 120.200 -0.194 0.000 2.047 435 E HA -0.065 4.281 4.350 -0.006 0.000 0.191 435 E C 1.838 178.382 176.600 -0.094 0.000 0.987 435 E CA 1.148 57.433 56.400 -0.191 0.000 0.799 435 E CB -0.351 29.265 29.700 -0.140 0.000 0.752 435 E HN 0.556 nan 8.360 nan 0.000 0.449 436 L N 0.241 121.474 121.223 0.016 0.000 2.291 436 L HA -0.053 4.283 4.340 -0.006 0.000 0.214 436 L C 2.201 179.132 176.870 0.100 0.000 1.120 436 L CA 0.785 55.681 54.840 0.093 0.000 0.799 436 L CB -0.222 41.899 42.059 0.104 0.000 0.925 436 L HN 0.106 nan 8.230 nan 0.000 0.446 437 S N -0.075 115.674 115.700 0.082 0.000 2.442 437 S HA -0.142 4.325 4.470 -0.006 0.000 0.236 437 S C 1.831 176.521 174.600 0.150 0.000 1.007 437 S CA 0.973 59.250 58.200 0.129 0.000 0.965 437 S CB -0.063 63.252 63.200 0.192 0.000 0.773 437 S HN 0.403 nan 8.310 nan 0.000 0.504 438 K N 0.925 121.334 120.400 0.015 0.000 2.152 438 K HA -0.060 4.257 4.320 -0.006 0.000 0.206 438 K C 1.748 178.506 176.600 0.264 0.000 1.048 438 K CA 1.078 57.351 56.287 -0.023 0.000 0.933 438 K CB -0.340 31.838 32.500 -0.537 0.000 0.721 438 K HN 0.369 nan 8.250 nan 0.000 0.447 439 I N 0.228 120.937 120.570 0.232 0.000 2.113 439 I HA -0.313 3.854 4.170 -0.006 0.000 0.238 439 I C 2.615 178.964 176.117 0.386 0.000 1.070 439 I CA 1.210 62.674 61.300 0.274 0.000 1.332 439 I CB -0.354 37.786 38.000 0.234 0.000 1.044 439 I HN 0.110 nan 8.210 nan 0.000 0.402 440 S N 0.588 116.518 115.700 0.385 0.000 2.383 440 S HA -0.099 4.368 4.470 -0.006 0.000 0.227 440 S C 2.056 176.935 174.600 0.465 0.000 1.026 440 S CA 1.154 59.627 58.200 0.455 0.000 0.981 440 S CB -0.326 63.130 63.200 0.428 0.000 0.818 440 S HN 0.281 nan 8.310 nan 0.000 0.472 441 I N 0.942 121.781 120.570 0.448 0.000 2.286 441 I HA -0.180 3.987 4.170 -0.006 0.000 0.248 441 I C 2.549 178.956 176.117 0.484 0.000 1.115 441 I CA 1.460 63.041 61.300 0.468 0.000 1.392 441 I CB -0.497 37.833 38.000 0.550 0.000 1.065 441 I HN 0.466 nan 8.210 nan 0.000 0.418 442 H N 1.122 120.463 119.070 0.451 0.000 2.352 442 H HA -0.187 4.366 4.556 -0.006 0.000 0.299 442 H C 2.325 177.830 175.328 0.295 0.000 1.097 442 H CA 2.261 58.517 56.048 0.348 0.000 1.311 442 H CB 0.054 30.046 29.762 0.384 0.000 1.377 442 H HN 0.418 nan 8.280 nan 0.000 0.504 443 T N -2.004 112.869 114.554 0.531 0.000 2.985 443 T HA 0.131 4.478 4.350 -0.006 0.000 0.266 443 T C 2.217 177.161 174.700 0.407 0.000 1.076 443 T CA 0.874 63.292 62.100 0.531 0.000 1.135 443 T CB -0.416 68.824 68.868 0.619 0.000 0.890 443 T HN 0.350 nan 8.240 nan 0.000 0.480 444 A N 1.819 124.856 122.820 0.361 0.000 1.898 444 A HA 0.382 4.698 4.320 -0.006 0.000 0.216 444 A C 2.839 180.588 177.584 0.275 0.000 1.181 444 A CA 1.672 53.918 52.037 0.349 0.000 0.620 444 A CB -1.412 17.850 19.000 0.437 0.000 0.819 444 A HN 0.743 nan 8.150 nan 0.000 0.442 445 A N 0.017 122.950 122.820 0.188 0.000 1.908 445 A HA -0.254 4.062 4.320 -0.006 0.000 0.218 445 A C 1.857 179.492 177.584 0.085 0.000 1.181 445 A CA 2.335 54.417 52.037 0.075 0.000 0.627 445 A CB -0.749 18.198 19.000 -0.090 0.000 0.818 445 A HN 0.563 nan 8.150 nan 0.000 0.445 446 D N -2.328 118.144 120.400 0.120 0.000 2.117 446 D HA -0.176 4.461 4.640 -0.006 0.000 0.198 446 D C 1.775 178.199 176.300 0.208 0.000 0.982 446 D CA 1.437 55.550 54.000 0.189 0.000 0.828 446 D CB -0.263 40.715 40.800 0.297 0.000 0.967 446 D HN 0.515 nan 8.370 nan 0.000 0.464 447 Y N 0.875 121.142 120.300 -0.054 0.000 2.181 447 Y HA -0.197 4.350 4.550 -0.005 0.000 0.288 447 Y C 2.373 178.099 175.900 -0.289 0.000 1.146 447 Y CA 2.295 60.136 58.100 -0.433 0.000 1.164 447 Y CB -0.632 37.229 38.460 -0.999 0.000 0.982 447 Y HN 0.089 nan 8.280 nan 0.000 0.515 448 S N -0.629 114.904 115.700 -0.279 0.000 2.436 448 S HA -0.161 4.306 4.470 -0.006 0.000 0.228 448 S C 1.938 176.459 174.600 -0.131 0.000 1.014 448 S CA 0.622 58.638 58.200 -0.306 0.000 0.950 448 S CB -1.059 62.142 63.200 0.001 0.000 0.784 448 S HN 0.749 nan 8.310 nan 0.000 0.504 449 W N 2.262 123.447 121.300 -0.192 0.000 2.539 449 W HA 0.347 5.004 4.660 -0.006 0.000 0.281 449 W C 0.054 176.464 176.519 -0.182 0.000 1.220 449 W CA 0.300 57.545 57.345 -0.166 0.000 1.332 449 W CB -0.018 29.352 29.460 -0.150 0.000 1.095 449 W HN 0.300 nan 8.180 nan 0.000 0.571 450 N N 1.327 120.067 118.700 0.066 0.000 2.750 450 N HA 0.071 4.808 4.740 -0.006 0.000 0.253 450 N C 0.666 176.140 175.510 -0.061 0.000 1.408 450 N CA -0.051 52.990 53.050 -0.015 0.000 0.780 450 N CB -0.023 38.537 38.487 0.122 0.000 1.191 450 N HN 0.035 nan 8.380 nan 0.000 0.511 451 M N 0.615 120.085 119.600 -0.216 0.000 2.132 451 M HA -0.104 4.372 4.480 -0.006 0.000 0.263 451 M C 1.128 177.376 176.300 -0.087 0.000 1.065 451 M CA 1.770 56.882 55.300 -0.314 0.000 1.122 451 M CB 0.100 32.386 32.600 -0.523 0.000 1.365 451 M HN 0.298 nan 8.290 nan 0.000 0.411 452 D N 0.031 120.388 120.400 -0.072 0.000 2.178 452 D HA -0.139 4.498 4.640 -0.006 0.000 0.202 452 D C 1.168 177.484 176.300 0.027 0.000 0.974 452 D CA 1.102 55.090 54.000 -0.020 0.000 0.841 452 D CB 0.113 40.891 40.800 -0.037 0.000 0.953 452 D HN 0.395 nan 8.370 nan 0.000 0.478 453 N N -0.762 117.962 118.700 0.039 0.000 2.280 453 N HA -0.066 4.670 4.740 -0.006 0.000 0.192 453 N C -0.464 175.104 175.510 0.096 0.000 1.109 453 N CA -0.127 52.953 53.050 0.051 0.000 0.855 453 N CB 0.098 38.600 38.487 0.025 0.000 0.974 453 N HN 0.294 nan 8.380 nan 0.000 0.482 454 Y N 2.725 123.050 120.300 0.042 0.000 2.729 454 Y HA -0.031 4.516 4.550 -0.006 0.000 0.331 454 Y C -0.038 175.923 175.900 0.102 0.000 1.208 454 Y CA 0.066 58.229 58.100 0.104 0.000 1.521 454 Y CB 0.244 38.821 38.460 0.196 0.000 1.233 454 Y HN -0.091 nan 8.280 nan 0.000 0.539 455 D N 6.036 126.135 120.400 -0.501 0.000 2.462 455 D HA 0.006 4.643 4.640 -0.006 0.000 0.245 455 D C 0.321 176.218 176.300 -0.671 0.000 1.122 455 D CA -0.612 53.123 54.000 -0.442 0.000 0.864 455 D CB 0.336 40.986 40.800 -0.250 0.000 1.098 455 D HN 0.649 nan 8.370 nan 0.000 0.541 456 Y N 2.643 122.630 120.300 -0.523 0.000 2.207 456 Y HA -0.107 4.439 4.550 -0.006 0.000 0.287 456 Y C 1.534 177.421 175.900 -0.021 0.000 1.156 456 Y CA 1.533 59.458 58.100 -0.292 0.000 1.182 456 Y CB -0.508 38.017 38.460 0.109 0.000 0.979 456 Y HN 0.306 nan 8.280 nan 0.000 0.521 457 D N 0.363 120.507 120.400 -0.427 0.000 2.097 457 D HA -0.142 4.495 4.640 -0.006 0.000 0.197 457 D C 1.884 178.225 176.300 0.068 0.000 0.984 457 D CA 1.683 55.620 54.000 -0.104 0.000 0.826 457 D CB -0.059 40.570 40.800 -0.284 0.000 0.973 457 D HN 0.401 nan 8.370 nan 0.000 0.460 458 K N -0.048 120.313 120.400 -0.065 0.000 2.097 458 K HA -0.004 4.313 4.320 -0.006 0.000 0.205 458 K C 2.181 178.804 176.600 0.038 0.000 1.050 458 K CA 0.950 57.228 56.287 -0.015 0.000 0.938 458 K CB -0.135 32.328 32.500 -0.061 0.000 0.718 458 K HN 0.115 nan 8.250 nan 0.000 0.442 459 A N 0.913 123.741 122.820 0.014 0.000 1.908 459 A HA -0.212 4.104 4.320 -0.006 0.000 0.218 459 A C 1.934 179.679 177.584 0.269 0.000 1.181 459 A CA 1.474 53.599 52.037 0.146 0.000 0.627 459 A CB -0.906 18.176 19.000 0.137 0.000 0.818 459 A HN 0.606 nan 8.150 nan 0.000 0.445 460 W N 1.391 122.761 121.300 0.117 0.000 2.355 460 W HA -0.157 4.500 4.660 -0.005 0.000 0.309 460 W C 2.038 178.602 176.519 0.076 0.000 1.206 460 W CA 1.792 59.219 57.345 0.137 0.000 1.284 460 W CB -0.332 29.219 29.460 0.151 0.000 1.145 460 W HN 0.367 nan 8.180 nan 0.000 0.502 461 N N 0.371 119.075 118.700 0.007 0.000 2.069 461 N HA -0.254 4.482 4.740 -0.006 0.000 0.191 461 N C 1.894 177.300 175.510 -0.174 0.000 1.031 461 N CA 2.033 54.964 53.050 -0.197 0.000 0.852 461 N CB -0.649 37.822 38.487 -0.027 0.000 1.018 461 N HN 0.280 nan 8.380 nan 0.000 0.423 462 R N 1.020 121.489 120.500 -0.052 0.000 2.081 462 R HA -0.050 4.286 4.340 -0.006 0.000 0.235 462 R C 2.228 178.457 176.300 -0.119 0.000 1.131 462 R CA 1.399 57.485 56.100 -0.022 0.000 0.960 462 R CB -0.207 30.143 30.300 0.083 0.000 0.856 462 R HN 0.152 nan 8.270 nan 0.000 0.436 463 A N 0.980 123.688 122.820 -0.187 0.000 1.883 463 A HA -0.166 4.151 4.320 -0.006 0.000 0.217 463 A C 2.152 179.532 177.584 -0.341 0.000 1.186 463 A CA 1.646 53.341 52.037 -0.571 0.000 0.624 463 A CB -0.527 18.351 19.000 -0.204 0.000 0.822 463 A HN 0.396 nan 8.150 nan 0.000 0.444 464 I N -0.548 119.858 120.570 -0.274 0.000 2.439 464 I HA -0.160 4.007 4.170 -0.006 0.000 0.251 464 I C 1.747 177.828 176.117 -0.060 0.000 1.139 464 I CA 1.020 62.218 61.300 -0.170 0.000 1.438 464 I CB -0.403 37.319 38.000 -0.463 0.000 1.085 464 I HN 0.228 nan 8.210 nan 0.000 0.427 465 D N 0.958 121.284 120.400 -0.123 0.000 2.097 465 D HA -0.167 4.470 4.640 -0.006 0.000 0.195 465 D C 2.287 178.566 176.300 -0.035 0.000 0.989 465 D CA 1.544 55.505 54.000 -0.065 0.000 0.827 465 D CB -0.142 40.617 40.800 -0.069 0.000 0.966 465 D HN 0.298 nan 8.370 nan 0.000 0.456 466 M N -0.301 119.263 119.600 -0.060 0.000 2.319 466 M HA -0.023 4.453 4.480 -0.006 0.000 0.265 466 M C 1.988 178.267 176.300 -0.034 0.000 1.068 466 M CA 0.783 56.064 55.300 -0.032 0.000 1.118 466 M CB 0.123 32.726 32.600 0.005 0.000 1.395 466 M HN -0.028 nan 8.290 nan 0.000 0.435 467 L N -2.354 118.840 121.223 -0.047 0.000 2.354 467 L HA -0.035 4.302 4.340 -0.006 0.000 0.212 467 L C 1.222 177.909 176.870 -0.305 0.000 1.091 467 L CA 0.670 55.427 54.840 -0.139 0.000 0.828 467 L CB -0.017 41.967 42.059 -0.125 0.000 0.973 467 L HN 0.203 nan 8.230 nan 0.000 0.461 468 Y N -0.525 119.725 120.300 -0.083 0.000 2.481 468 Y HA 0.336 4.882 4.550 -0.005 0.000 0.247 468 Y C 1.813 177.676 175.900 -0.062 0.000 1.151 468 Y CA 0.112 58.169 58.100 -0.071 0.000 1.238 468 Y CB 0.175 38.589 38.460 -0.077 0.000 1.179 468 Y HN 0.150 nan 8.280 nan 0.000 0.524 469 G N 1.046 109.866 108.800 0.034 0.000 2.692 469 G HA2 -0.445 3.512 3.960 -0.006 0.000 0.339 469 G HA3 -0.445 3.512 3.960 -0.006 0.000 0.339 469 G C 1.119 176.028 174.900 0.015 0.000 1.226 469 G CA 1.205 46.308 45.100 0.005 0.000 0.979 469 G HN 0.329 nan 8.290 nan 0.000 0.549 470 D N 0.631 121.036 120.400 0.008 0.000 2.269 470 D HA 0.042 4.679 4.640 -0.006 0.000 0.208 470 D C 2.451 178.760 176.300 0.014 0.000 0.963 470 D CA 0.830 54.833 54.000 0.004 0.000 0.864 470 D CB 0.058 40.855 40.800 -0.004 0.000 0.936 470 D HN 0.344 nan 8.370 nan 0.000 0.505 471 L N 0.668 121.916 121.223 0.042 0.000 2.611 471 L HA 0.173 4.509 4.340 -0.006 0.000 0.229 471 L C 2.218 179.108 176.870 0.033 0.000 1.137 471 L CA -0.283 54.584 54.840 0.045 0.000 0.901 471 L CB 0.026 42.133 42.059 0.081 0.000 1.098 471 L HN -0.102 nan 8.230 nan 0.000 0.456 472 A N 0.273 123.113 122.820 0.033 0.000 1.883 472 A HA -0.200 4.117 4.320 -0.006 0.000 0.217 472 A C 2.224 179.758 177.584 -0.083 0.000 1.186 472 A CA 1.506 53.528 52.037 -0.024 0.000 0.624 472 A CB -0.171 18.814 19.000 -0.025 0.000 0.822 472 A HN 0.322 nan 8.150 nan 0.000 0.444 473 E N 0.403 120.574 120.200 -0.048 0.000 2.077 473 E HA -0.164 4.182 4.350 -0.006 0.000 0.193 473 E C 1.611 178.198 176.600 -0.023 0.000 0.989 473 E CA 1.354 57.731 56.400 -0.039 0.000 0.800 473 E CB -0.475 29.213 29.700 -0.019 0.000 0.746 473 E HN 0.587 nan 8.360 nan 0.000 0.452 474 D N 0.217 120.606 120.400 -0.018 0.000 2.117 474 D HA -0.138 4.499 4.640 -0.006 0.000 0.198 474 D C 1.953 178.256 176.300 0.005 0.000 0.982 474 D CA 0.798 54.797 54.000 -0.001 0.000 0.828 474 D CB -0.211 40.582 40.800 -0.013 0.000 0.967 474 D HN 0.083 nan 8.370 nan 0.000 0.464 475 M N 1.118 120.676 119.600 -0.069 0.000 2.149 475 M HA -0.144 4.332 4.480 -0.006 0.000 0.261 475 M C 1.711 177.984 176.300 -0.045 0.000 1.064 475 M CA 1.532 56.755 55.300 -0.128 0.000 1.102 475 M CB -0.045 32.252 32.600 -0.504 0.000 1.369 475 M HN -0.183 nan 8.290 nan 0.000 0.408 476 K N -1.217 119.127 120.400 -0.092 0.000 2.097 476 K HA -0.109 4.208 4.320 -0.006 0.000 0.206 476 K C 1.807 178.528 176.600 0.201 0.000 1.049 476 K CA 1.546 57.808 56.287 -0.042 0.000 0.933 476 K CB -0.395 32.028 32.500 -0.129 0.000 0.717 476 K HN 0.232 nan 8.250 nan 0.000 0.442 477 V N 1.098 121.111 119.914 0.165 0.000 2.295 477 V HA -0.254 3.863 4.120 -0.006 0.000 0.246 477 V C 1.970 178.245 176.094 0.302 0.000 1.049 477 V CA 1.800 64.230 62.300 0.217 0.000 1.024 477 V CB -0.489 31.424 31.823 0.150 0.000 0.648 477 V HN 0.243 nan 8.190 nan 0.000 0.447 478 F N 1.624 121.632 119.950 0.097 0.000 2.060 478 F HA -0.055 4.469 4.527 -0.006 0.000 0.295 478 F C 2.290 178.184 175.800 0.157 0.000 1.120 478 F CA 1.536 59.585 58.000 0.081 0.000 1.205 478 F CB -0.776 38.224 39.000 0.000 0.000 0.986 478 F HN 0.051 nan 8.300 nan 0.000 0.470 479 A N 0.222 123.021 122.820 -0.036 0.000 1.972 479 A HA -0.230 4.087 4.320 -0.006 0.000 0.219 479 A C 1.986 179.658 177.584 0.147 0.000 1.169 479 A CA 1.705 53.711 52.037 -0.052 0.000 0.635 479 A CB -1.253 17.864 19.000 0.196 0.000 0.810 479 A HN 0.556 nan 8.150 nan 0.000 0.446 480 N N -0.322 118.560 118.700 0.304 0.000 2.258 480 N HA -0.184 4.553 4.740 -0.006 0.000 0.187 480 N C 1.336 176.758 175.510 -0.147 0.000 1.012 480 N CA 1.445 54.522 53.050 0.044 0.000 0.870 480 N CB -0.449 38.128 38.487 0.150 0.000 0.977 480 N HN 0.676 nan 8.380 nan 0.000 0.434 481 H N -2.174 116.830 119.070 -0.110 0.000 2.539 481 H HA 0.218 4.770 4.556 -0.006 0.000 0.269 481 H C 0.143 175.373 175.328 -0.164 0.000 0.980 481 H CA 0.267 56.244 56.048 -0.119 0.000 1.152 481 H CB 0.457 30.172 29.762 -0.079 0.000 1.407 481 H HN 0.049 nan 8.280 nan 0.000 0.564 482 S N 0.431 116.056 115.700 -0.125 0.000 2.526 482 S HA 0.082 4.549 4.470 -0.006 0.000 0.220 482 S C 1.094 175.650 174.600 -0.073 0.000 1.159 482 S CA -0.267 57.850 58.200 -0.138 0.000 1.196 482 S CB -0.103 62.921 63.200 -0.295 0.000 1.225 482 S HN 0.510 nan 8.310 nan 0.000 0.432 483 T N -1.342 113.166 114.554 -0.077 0.000 2.978 483 T HA 0.340 4.687 4.350 -0.006 0.000 0.248 483 T C 0.682 175.401 174.700 0.032 0.000 1.018 483 T CA -0.186 61.899 62.100 -0.026 0.000 1.026 483 T CB 0.031 68.775 68.868 -0.206 0.000 1.032 483 T HN 0.252 nan 8.240 nan 0.000 0.485 484 R N 1.832 122.309 120.500 -0.037 0.000 2.234 484 R HA 0.481 4.818 4.340 -0.006 0.000 0.324 484 R C -0.582 175.730 176.300 0.020 0.000 1.054 484 R CA -0.469 55.612 56.100 -0.032 0.000 0.912 484 R CB 0.110 30.356 30.300 -0.090 0.000 1.030 484 R HN 0.168 nan 8.270 nan 0.000 0.455 485 M N 2.896 122.538 119.600 0.070 0.000 2.300 485 M HA 0.317 4.793 4.480 -0.006 0.000 0.348 485 M C -1.040 175.217 176.300 -0.073 0.000 1.151 485 M CA -0.500 54.832 55.300 0.053 0.000 1.046 485 M CB 1.532 34.247 32.600 0.192 0.000 1.647 485 M HN 0.587 nan 8.290 nan 0.000 0.451 486 D N 2.204 122.446 120.400 -0.264 0.000 2.484 486 D HA 0.088 4.724 4.640 -0.006 0.000 0.206 486 D C -0.222 175.600 176.300 -0.798 0.000 1.322 486 D CA -0.216 53.546 54.000 -0.397 0.000 0.913 486 D CB 0.816 41.449 40.800 -0.280 0.000 1.559 486 D HN 0.613 nan 8.370 nan 0.000 0.565 487 N N 2.704 120.990 118.700 -0.689 0.000 2.383 487 N HA -0.003 4.734 4.740 -0.006 0.000 0.192 487 N C 0.278 175.546 175.510 -0.404 0.000 1.141 487 N CA 0.077 52.690 53.050 -0.729 0.000 0.851 487 N CB 0.099 38.383 38.487 -0.339 0.000 0.976 487 N HN 0.482 nan 8.380 nan 0.000 0.465 488 K N -2.350 117.843 120.400 -0.346 0.000 3.553 488 K HA -0.185 4.132 4.320 -0.006 0.000 0.303 488 K C 0.644 177.176 176.600 -0.114 0.000 1.327 488 K CA 1.675 57.854 56.287 -0.181 0.000 0.983 488 K CB -2.113 30.324 32.500 -0.105 0.000 1.275 488 K HN 0.682 nan 8.250 nan 0.000 0.453 489 T N -4.028 110.438 114.554 -0.148 0.000 2.977 489 T HA 0.159 4.506 4.350 -0.006 0.000 0.152 489 T C 0.999 175.677 174.700 -0.036 0.000 0.867 489 T CA -0.039 62.038 62.100 -0.038 0.000 0.917 489 T CB -0.339 68.587 68.868 0.096 0.000 2.051 489 T HN 0.319 nan 8.240 nan 0.000 0.350 490 W N 2.598 123.842 121.300 -0.093 0.000 2.996 490 W HA 0.713 5.369 4.660 -0.006 0.000 0.270 490 W C 0.084 176.500 176.519 -0.172 0.000 1.280 490 W CA -0.032 57.244 57.345 -0.114 0.000 1.549 490 W CB -0.162 29.235 29.460 -0.106 0.000 1.079 490 W HN 0.549 nan 8.180 nan 0.000 0.629 491 A N 3.150 125.391 122.820 -0.966 0.000 2.291 491 A HA 0.599 4.916 4.320 -0.006 0.000 0.311 491 A C -0.357 176.850 177.584 -0.628 0.000 1.224 491 A CA -0.651 50.715 52.037 -1.119 0.000 0.821 491 A CB 0.518 18.164 19.000 -2.256 0.000 1.172 491 A HN 0.237 nan 8.150 nan 0.000 0.494 492 K N 0.497 120.665 120.400 -0.386 0.000 2.543 492 K HA 0.787 5.103 4.320 -0.006 0.000 0.255 492 K C -1.276 175.241 176.600 -0.138 0.000 0.934 492 K CA -0.478 55.676 56.287 -0.222 0.000 0.810 492 K CB 1.931 34.327 32.500 -0.173 0.000 1.315 492 K HN 0.549 nan 8.250 nan 0.000 0.433 493 S N 0.698 116.361 115.700 -0.062 0.000 2.565 493 S HA 0.790 5.257 4.470 -0.006 0.000 0.274 493 S C -1.300 173.285 174.600 -0.025 0.000 1.144 493 S CA 0.422 58.602 58.200 -0.033 0.000 0.849 493 S CB 1.512 64.668 63.200 -0.074 0.000 1.103 493 S HN 1.556 nan 8.310 nan 0.000 0.455 494 G N 2.628 111.337 108.800 -0.151 0.000 2.459 494 G HA2 0.089 4.045 3.960 -0.006 0.000 0.685 494 G HA3 0.089 4.045 3.960 -0.006 0.000 0.685 494 G C -1.080 173.522 174.900 -0.496 0.000 1.303 494 G CA -0.825 44.061 45.100 -0.357 0.000 0.907 494 G HN 0.779 nan 8.290 nan 0.000 0.632 495 R N 0.615 120.627 120.500 -0.814 0.000 2.570 495 R HA 0.153 4.490 4.340 -0.006 0.000 0.277 495 R C 0.587 176.590 176.300 -0.495 0.000 1.039 495 R CA -0.250 55.242 56.100 -1.013 0.000 1.065 495 R CB 0.250 30.055 30.300 -0.825 0.000 0.964 495 R HN 0.559 nan 8.270 nan 0.000 0.428 496 E N 2.301 122.268 120.200 -0.387 0.000 2.467 496 E HA -0.094 4.253 4.350 -0.006 0.000 0.264 496 E C -0.444 176.013 176.600 -0.238 0.000 1.020 496 E CA 0.509 56.769 56.400 -0.234 0.000 0.945 496 E CB 0.335 29.937 29.700 -0.163 0.000 0.942 496 E HN 0.457 nan 8.360 nan 0.000 0.449 497 D N 0.465 120.753 120.400 -0.188 0.000 2.414 497 D HA 0.144 4.780 4.640 -0.006 0.000 0.242 497 D C 0.209 176.351 176.300 -0.263 0.000 1.129 497 D CA 0.312 54.183 54.000 -0.216 0.000 0.885 497 D CB 0.535 41.247 40.800 -0.147 0.000 1.198 497 D HN 0.489 nan 8.370 nan 0.000 0.437 498 A N 3.793 126.392 122.820 -0.368 0.000 2.151 498 A HA -0.154 4.163 4.320 -0.006 0.000 0.271 498 A C -1.188 176.256 177.584 -0.233 0.000 1.348 498 A CA -0.021 51.779 52.037 -0.394 0.000 0.763 498 A CB -0.921 17.612 19.000 -0.777 0.000 1.117 498 A HN 0.447 nan 8.150 nan 0.000 0.342 499 P HA -0.105 nan 4.420 nan 0.000 0.219 499 P C 1.034 178.282 177.300 -0.087 0.000 1.150 499 P CA 1.501 64.532 63.100 -0.115 0.000 0.814 499 P CB 0.161 31.804 31.700 -0.095 0.000 0.787 500 E N -0.172 119.974 120.200 -0.090 0.000 2.106 500 E HA -0.112 4.235 4.350 -0.006 0.000 0.192 500 E C 1.979 178.527 176.600 -0.087 0.000 0.984 500 E CA 0.603 56.959 56.400 -0.073 0.000 0.806 500 E CB -1.132 28.532 29.700 -0.060 0.000 0.750 500 E HN 0.124 nan 8.360 nan 0.000 0.458 501 L N 0.694 121.855 121.223 -0.104 0.000 2.109 501 L HA -0.036 4.301 4.340 -0.006 0.000 0.207 501 L C 2.164 178.973 176.870 -0.101 0.000 1.086 501 L CA 1.478 56.249 54.840 -0.114 0.000 0.760 501 L CB -0.209 41.801 42.059 -0.083 0.000 0.910 501 L HN -0.077 nan 8.230 nan 0.000 0.437 502 R N 0.589 121.044 120.500 -0.076 0.000 2.091 502 R HA -0.078 4.258 4.340 -0.006 0.000 0.238 502 R C 2.089 178.376 176.300 -0.021 0.000 1.136 502 R CA 1.842 57.924 56.100 -0.030 0.000 0.959 502 R CB -1.184 29.100 30.300 -0.027 0.000 0.856 502 R HN 0.496 nan 8.270 nan 0.000 0.437 503 A N 0.564 123.361 122.820 -0.040 0.000 1.898 503 A HA -0.124 4.192 4.320 -0.006 0.000 0.216 503 A C 2.085 179.637 177.584 -0.053 0.000 1.181 503 A CA 1.653 53.672 52.037 -0.030 0.000 0.620 503 A CB -0.356 18.624 19.000 -0.033 0.000 0.819 503 A HN 0.400 nan 8.150 nan 0.000 0.442 504 K N -0.775 119.569 120.400 -0.093 0.000 2.057 504 K HA -0.075 4.242 4.320 -0.006 0.000 0.207 504 K C 2.084 178.574 176.600 -0.184 0.000 1.049 504 K CA 1.728 57.931 56.287 -0.140 0.000 0.931 504 K CB -0.307 32.085 32.500 -0.180 0.000 0.714 504 K HN 0.503 nan 8.250 nan 0.000 0.440 505 M N 0.994 120.482 119.600 -0.187 0.000 2.080 505 M HA -0.205 4.272 4.480 -0.006 0.000 0.260 505 M C 1.467 177.678 176.300 -0.148 0.000 1.068 505 M CA 1.461 56.637 55.300 -0.207 0.000 1.109 505 M CB -0.360 32.219 32.600 -0.036 0.000 1.342 505 M HN 0.064 nan 8.290 nan 0.000 0.405 506 D N 0.276 120.690 120.400 0.023 0.000 2.123 506 D HA -0.198 4.439 4.640 -0.006 0.000 0.196 506 D C 1.806 178.138 176.300 0.053 0.000 0.992 506 D CA 1.330 55.403 54.000 0.122 0.000 0.833 506 D CB -0.394 40.469 40.800 0.105 0.000 0.954 506 D HN 0.497 nan 8.370 nan 0.000 0.455 507 E N -0.043 120.140 120.200 -0.029 0.000 2.110 507 E HA -0.162 4.185 4.350 -0.006 0.000 0.193 507 E C 2.123 178.674 176.600 -0.081 0.000 0.988 507 E CA 0.322 56.699 56.400 -0.038 0.000 0.804 507 E CB -0.048 29.620 29.700 -0.054 0.000 0.745 507 E HN 0.096 nan 8.360 nan 0.000 0.458 508 L N 0.006 121.102 121.223 -0.211 0.000 2.017 508 L HA -0.133 4.204 4.340 -0.006 0.000 0.208 508 L C 1.802 178.517 176.870 -0.258 0.000 1.073 508 L CA 1.856 56.501 54.840 -0.326 0.000 0.745 508 L CB -0.638 41.088 42.059 -0.556 0.000 0.894 508 L HN 0.281 nan 8.230 nan 0.000 0.432 509 W N 0.039 121.304 121.300 -0.057 0.000 2.381 509 W HA -0.153 4.505 4.660 -0.004 0.000 0.301 509 W C 2.385 178.893 176.519 -0.019 0.000 1.205 509 W CA 1.016 58.295 57.345 -0.109 0.000 1.285 509 W CB -0.629 28.797 29.460 -0.057 0.000 1.133 509 W HN 0.250 nan 8.180 nan 0.000 0.521 510 N N 0.635 119.464 118.700 0.215 0.000 2.069 510 N HA -0.194 4.543 4.740 -0.006 0.000 0.191 510 N C 1.625 177.203 175.510 0.114 0.000 1.031 510 N CA 1.581 54.718 53.050 0.146 0.000 0.852 510 N CB -0.293 38.251 38.487 0.096 0.000 1.018 510 N HN 0.130 nan 8.380 nan 0.000 0.423 511 K N 0.835 121.276 120.400 0.068 0.000 2.002 511 K HA -0.070 4.246 4.320 -0.006 0.000 0.209 511 K C 2.036 178.688 176.600 0.087 0.000 1.048 511 K CA 0.951 57.269 56.287 0.051 0.000 0.930 511 K CB -0.226 32.277 32.500 0.006 0.000 0.714 511 K HN 0.163 nan 8.250 nan 0.000 0.438 512 L N 0.987 122.269 121.223 0.098 0.000 2.131 512 L HA -0.170 4.166 4.340 -0.006 0.000 0.210 512 L C 2.414 179.470 176.870 0.310 0.000 1.092 512 L CA 1.367 56.314 54.840 0.177 0.000 0.759 512 L CB -0.448 41.669 42.059 0.096 0.000 0.903 512 L HN 0.277 nan 8.230 nan 0.000 0.435 513 S N -2.840 113.043 115.700 0.305 0.000 2.558 513 S HA 0.026 4.493 4.470 -0.006 0.000 0.217 513 S C 1.502 176.202 174.600 0.167 0.000 0.975 513 S CA 0.267 58.645 58.200 0.296 0.000 0.912 513 S CB 0.217 63.603 63.200 0.309 0.000 0.776 513 S HN 0.228 nan 8.310 nan 0.000 0.526 514 S N 1.474 117.254 115.700 0.134 0.000 2.572 514 S HA 0.346 4.813 4.470 -0.006 0.000 0.228 514 S C 0.062 174.708 174.600 0.077 0.000 0.963 514 S CA -0.558 57.696 58.200 0.089 0.000 0.939 514 S CB -0.192 63.052 63.200 0.073 0.000 0.804 514 S HN 0.563 nan 8.310 nan 0.000 0.480 515 K N 1.105 121.561 120.400 0.093 0.000 3.069 515 K HA -0.197 4.120 4.320 -0.006 0.000 0.267 515 K C -0.596 176.040 176.600 0.060 0.000 1.082 515 K CA 0.710 57.043 56.287 0.076 0.000 0.782 515 K CB -1.339 31.195 32.500 0.057 0.000 1.230 515 K HN 0.544 nan 8.250 nan 0.000 0.488 516 E N 0.771 121.007 120.200 0.059 0.000 2.283 516 E HA 0.128 4.475 4.350 -0.006 0.000 0.271 516 E C -0.376 176.246 176.600 0.037 0.000 1.031 516 E CA -0.814 55.610 56.400 0.041 0.000 0.868 516 E CB 0.878 30.599 29.700 0.034 0.000 1.094 516 E HN 0.071 nan 8.360 nan 0.000 0.401 517 D N 0.632 121.048 120.400 0.026 0.000 2.371 517 D HA 0.140 4.776 4.640 -0.006 0.000 0.256 517 D C -0.303 176.002 176.300 0.009 0.000 1.193 517 D CA 0.177 54.190 54.000 0.022 0.000 0.881 517 D CB 0.943 41.754 40.800 0.018 0.000 1.143 517 D HN 0.445 nan 8.370 nan 0.000 0.473 518 A N 2.840 125.664 122.820 0.007 0.000 2.470 518 A HA 0.105 4.422 4.320 -0.006 0.000 0.251 518 A C 1.902 179.476 177.584 -0.016 0.000 1.245 518 A CA 0.425 52.451 52.037 -0.018 0.000 0.932 518 A CB -0.285 18.692 19.000 -0.038 0.000 1.037 518 A HN 0.549 nan 8.150 nan 0.000 0.522 519 S N 0.674 116.377 115.700 0.006 0.000 2.370 519 S HA -0.154 4.312 4.470 -0.006 0.000 0.226 519 S C 2.029 176.636 174.600 0.012 0.000 1.033 519 S CA 1.466 59.678 58.200 0.021 0.000 1.011 519 S CB -0.641 62.575 63.200 0.028 0.000 0.852 519 S HN 0.931 nan 8.310 nan 0.000 0.457 520 A N 1.466 124.284 122.820 -0.004 0.000 1.930 520 A HA 0.142 4.458 4.320 -0.006 0.000 0.217 520 A C 2.228 179.790 177.584 -0.036 0.000 1.175 520 A CA 1.445 53.474 52.037 -0.014 0.000 0.627 520 A CB -0.758 18.232 19.000 -0.017 0.000 0.815 520 A HN 0.516 nan 8.150 nan 0.000 0.443 521 L N -0.077 121.113 121.223 -0.055 0.000 2.072 521 L HA -0.005 4.332 4.340 -0.006 0.000 0.205 521 L C 2.154 178.947 176.870 -0.128 0.000 1.079 521 L CA 1.472 56.252 54.840 -0.100 0.000 0.752 521 L CB -0.537 41.453 42.059 -0.114 0.000 0.906 521 L HN 0.416 nan 8.230 nan 0.000 0.436 522 I N -0.381 120.134 120.570 -0.093 0.000 2.163 522 I HA -0.330 3.837 4.170 -0.006 0.000 0.243 522 I C 2.488 178.592 176.117 -0.022 0.000 1.085 522 I CA 1.622 62.863 61.300 -0.099 0.000 1.347 522 I CB -0.247 37.744 38.000 -0.015 0.000 1.044 522 I HN 0.359 nan 8.210 nan 0.000 0.408 523 E N 0.719 120.963 120.200 0.073 0.000 2.058 523 E HA -0.307 4.040 4.350 -0.006 0.000 0.194 523 E C 2.104 178.727 176.600 0.038 0.000 0.997 523 E CA 1.669 58.147 56.400 0.129 0.000 0.801 523 E CB -0.031 29.704 29.700 0.059 0.000 0.746 523 E HN 0.399 nan 8.360 nan 0.000 0.450 524 E N 0.008 120.174 120.200 -0.056 0.000 2.085 524 E HA -0.212 4.134 4.350 -0.006 0.000 0.194 524 E C 2.081 178.546 176.600 -0.225 0.000 0.994 524 E CA 1.050 57.381 56.400 -0.116 0.000 0.801 524 E CB -0.057 29.567 29.700 -0.127 0.000 0.743 524 E HN 0.286 nan 8.360 nan 0.000 0.453 525 L N -0.254 120.766 121.223 -0.338 0.000 2.093 525 L HA -0.168 4.168 4.340 -0.006 0.000 0.208 525 L C 2.277 178.683 176.870 -0.773 0.000 1.085 525 L CA 1.014 55.436 54.840 -0.698 0.000 0.755 525 L CB -0.458 41.170 42.059 -0.718 0.000 0.904 525 L HN 0.267 nan 8.230 nan 0.000 0.435 526 Y N 0.157 120.277 120.300 -0.301 0.000 2.165 526 Y HA -0.260 4.287 4.550 -0.005 0.000 0.286 526 Y C 2.603 178.424 175.900 -0.132 0.000 1.155 526 Y CA 1.190 59.228 58.100 -0.103 0.000 1.164 526 Y CB -0.656 37.796 38.460 -0.014 0.000 0.978 526 Y HN 0.190 nan 8.280 nan 0.000 0.513 527 G N -0.228 108.574 108.800 0.003 0.000 2.446 527 G HA2 -0.247 3.709 3.960 -0.006 0.000 0.217 527 G HA3 -0.247 3.709 3.960 -0.006 0.000 0.217 527 G C 1.490 176.332 174.900 -0.096 0.000 1.168 527 G CA 1.134 46.213 45.100 -0.036 0.000 0.771 527 G HN 0.294 nan 8.290 nan 0.000 0.551 528 E N 0.356 120.398 120.200 -0.265 0.000 2.085 528 E HA -0.102 4.244 4.350 -0.006 0.000 0.194 528 E C 2.295 178.829 176.600 -0.109 0.000 0.994 528 E CA 0.840 57.076 56.400 -0.274 0.000 0.801 528 E CB -0.351 29.060 29.700 -0.481 0.000 0.743 528 E HN 0.487 nan 8.360 nan 0.000 0.453 529 F N 0.807 120.747 119.950 -0.017 0.000 2.206 529 F HA 0.034 4.557 4.527 -0.006 0.000 0.298 529 F C 2.490 178.302 175.800 0.019 0.000 1.090 529 F CA 0.497 58.492 58.000 -0.009 0.000 1.323 529 F CB -1.322 37.673 39.000 -0.008 0.000 1.028 529 F HN -0.039 nan 8.300 nan 0.000 0.492 530 A N 0.190 123.131 122.820 0.202 0.000 1.933 530 A HA -0.223 4.094 4.320 -0.006 0.000 0.218 530 A C 2.306 179.938 177.584 0.079 0.000 1.175 530 A CA 1.954 54.066 52.037 0.124 0.000 0.628 530 A CB -0.706 18.349 19.000 0.091 0.000 0.814 530 A HN 0.267 nan 8.150 nan 0.000 0.444 531 R N -0.590 119.948 120.500 0.063 0.000 2.092 531 R HA 0.023 4.360 4.340 -0.006 0.000 0.231 531 R C 2.032 178.367 176.300 0.058 0.000 1.119 531 R CA 1.867 57.995 56.100 0.046 0.000 0.970 531 R CB -0.576 29.741 30.300 0.028 0.000 0.864 531 R HN 0.539 nan 8.270 nan 0.000 0.440 532 M N 0.123 119.770 119.600 0.079 0.000 2.073 532 M HA -0.226 4.251 4.480 -0.006 0.000 0.258 532 M C 2.288 178.610 176.300 0.038 0.000 1.070 532 M CA 2.407 57.741 55.300 0.056 0.000 1.103 532 M CB -0.444 32.175 32.600 0.032 0.000 1.321 532 M HN 0.286 nan 8.290 nan 0.000 0.405 533 E N 0.316 120.543 120.200 0.045 0.000 2.051 533 E HA -0.276 4.071 4.350 -0.006 0.000 0.192 533 E C 1.925 178.533 176.600 0.013 0.000 0.991 533 E CA 1.691 58.107 56.400 0.026 0.000 0.799 533 E CB -0.086 29.637 29.700 0.038 0.000 0.748 533 E HN 0.550 nan 8.360 nan 0.000 0.449 534 E N 0.063 120.276 120.200 0.020 0.000 2.058 534 E HA -0.238 4.109 4.350 -0.006 0.000 0.194 534 E C 1.963 178.562 176.600 -0.001 0.000 0.997 534 E CA 1.204 57.609 56.400 0.008 0.000 0.801 534 E CB -0.220 29.488 29.700 0.013 0.000 0.746 534 E HN 0.307 nan 8.360 nan 0.000 0.450 535 A N 0.647 123.472 122.820 0.009 0.000 1.902 535 A HA -0.180 4.137 4.320 -0.006 0.000 0.217 535 A C 2.514 180.079 177.584 -0.031 0.000 1.181 535 A CA 1.434 53.473 52.037 0.003 0.000 0.623 535 A CB -0.943 18.079 19.000 0.037 0.000 0.818 535 A HN 0.553 nan 8.150 nan 0.000 0.443 536 C N -0.317 118.962 119.300 -0.036 0.000 2.446 536 C HA -0.072 4.384 4.460 -0.006 0.000 0.277 536 C C 2.672 177.597 174.990 -0.107 0.000 1.275 536 C CA 1.024 59.978 59.018 -0.107 0.000 1.727 536 C CB -1.436 26.258 27.740 -0.076 0.000 2.010 536 C HN 0.626 nan 8.230 nan 0.000 0.486 537 N N 1.256 119.919 118.700 -0.061 0.000 2.120 537 N HA -0.114 4.623 4.740 -0.006 0.000 0.188 537 N C 1.371 176.849 175.510 -0.055 0.000 1.024 537 N CA 1.340 54.359 53.050 -0.053 0.000 0.852 537 N CB -0.697 37.772 38.487 -0.031 0.000 1.003 537 N HN 0.574 nan 8.380 nan 0.000 0.424 538 N N 0.623 119.294 118.700 -0.048 0.000 2.069 538 N HA -0.026 4.710 4.740 -0.006 0.000 0.191 538 N C 1.806 177.280 175.510 -0.059 0.000 1.031 538 N CA 0.773 53.797 53.050 -0.043 0.000 0.852 538 N CB -0.159 38.309 38.487 -0.031 0.000 1.018 538 N HN 0.154 nan 8.380 nan 0.000 0.423 539 L N 0.565 121.734 121.223 -0.090 0.000 2.046 539 L HA -0.156 4.181 4.340 -0.006 0.000 0.208 539 L C 2.135 178.935 176.870 -0.118 0.000 1.077 539 L CA 1.187 55.955 54.840 -0.119 0.000 0.747 539 L CB -0.290 41.638 42.059 -0.218 0.000 0.896 539 L HN 0.148 nan 8.230 nan 0.000 0.432 540 K N -0.063 120.262 120.400 -0.125 0.000 2.063 540 K HA -0.179 4.138 4.320 -0.006 0.000 0.208 540 K C 2.134 178.694 176.600 -0.067 0.000 1.048 540 K CA 1.574 57.801 56.287 -0.101 0.000 0.928 540 K CB -0.259 32.187 32.500 -0.090 0.000 0.713 540 K HN 0.324 nan 8.250 nan 0.000 0.442 541 A N 0.883 123.670 122.820 -0.055 0.000 2.021 541 A HA -0.027 4.290 4.320 -0.006 0.000 0.216 541 A C 1.464 179.027 177.584 -0.036 0.000 1.163 541 A CA 1.023 53.036 52.037 -0.040 0.000 0.676 541 A CB 0.045 19.025 19.000 -0.033 0.000 0.818 541 A HN 0.215 nan 8.150 nan 0.000 0.453 542 N N -1.049 117.629 118.700 -0.036 0.000 2.257 542 N HA 0.210 4.947 4.740 -0.006 0.000 0.200 542 N C 0.024 175.522 175.510 -0.019 0.000 1.163 542 N CA -0.119 52.916 53.050 -0.026 0.000 0.891 542 N CB 0.307 38.782 38.487 -0.019 0.000 1.067 542 N HN 0.317 nan 8.380 nan 0.000 0.497 543 L N 2.851 124.061 121.223 -0.021 0.000 2.485 543 L HA 0.113 4.450 4.340 -0.006 0.000 0.275 543 L C -1.856 175.003 176.870 -0.019 0.000 1.207 543 L CA -1.079 53.760 54.840 -0.001 0.000 0.855 543 L CB 0.015 42.071 42.059 -0.005 0.000 1.114 543 L HN -0.166 nan 8.230 nan 0.000 0.485 544 P HA -0.039 nan 4.420 nan 0.000 0.266 544 P C 0.411 177.687 177.300 -0.040 0.000 1.195 544 P CA -0.068 63.005 63.100 -0.045 0.000 0.768 544 P CB 0.535 32.191 31.700 -0.074 0.000 0.838 545 E N 1.861 122.036 120.200 -0.041 0.000 2.130 545 E HA -0.201 4.145 4.350 -0.006 0.000 0.196 545 E C 1.565 178.142 176.600 -0.038 0.000 0.998 545 E CA 1.134 57.512 56.400 -0.037 0.000 0.806 545 E CB -0.055 29.626 29.700 -0.033 0.000 0.738 545 E HN 0.201 nan 8.360 nan 0.000 0.459 546 V N 0.264 120.147 119.914 -0.051 0.000 2.490 546 V HA -0.212 3.904 4.120 -0.006 0.000 0.250 546 V C 1.993 178.055 176.094 -0.052 0.000 1.061 546 V CA 2.094 64.358 62.300 -0.060 0.000 1.064 546 V CB -0.183 31.586 31.823 -0.089 0.000 0.670 546 V HN 0.442 nan 8.190 nan 0.000 0.461 547 A N -0.615 122.181 122.820 -0.040 0.000 1.911 547 A HA 0.039 4.356 4.320 -0.006 0.000 0.212 547 A C 1.994 179.575 177.584 -0.005 0.000 1.189 547 A CA 1.254 53.293 52.037 0.003 0.000 0.639 547 A CB -0.606 18.438 19.000 0.074 0.000 0.839 547 A HN 0.517 nan 8.150 nan 0.000 0.449 548 L N 1.306 122.516 121.223 -0.021 0.000 2.079 548 L HA -0.193 4.143 4.340 -0.006 0.000 0.210 548 L C 2.369 179.212 176.870 -0.045 0.000 1.081 548 L CA 2.740 57.553 54.840 -0.045 0.000 0.752 548 L CB -0.622 41.407 42.059 -0.049 0.000 0.896 548 L HN 0.675 nan 8.230 nan 0.000 0.433 549 E N -1.154 119.028 120.200 -0.031 0.000 2.265 549 E HA -0.238 4.108 4.350 -0.006 0.000 0.196 549 E C 1.553 178.138 176.600 -0.025 0.000 0.996 549 E CA 1.451 57.839 56.400 -0.020 0.000 0.832 549 E CB -0.421 29.275 29.700 -0.007 0.000 0.756 549 E HN 0.691 nan 8.360 nan 0.000 0.491 550 E N 0.116 120.286 120.200 -0.049 0.000 2.318 550 E HA -0.028 4.319 4.350 -0.006 0.000 0.193 550 E C 1.674 178.151 176.600 -0.205 0.000 0.998 550 E CA 1.023 57.336 56.400 -0.145 0.000 0.859 550 E CB 0.400 30.023 29.700 -0.130 0.000 0.812 550 E HN 0.571 nan 8.360 nan 0.000 0.492 551 C N -0.883 118.361 119.300 -0.092 0.000 3.657 551 C HA 0.328 4.785 4.460 -0.006 0.000 0.291 551 C C 2.496 177.451 174.990 -0.058 0.000 1.572 551 C CA -0.087 58.907 59.018 -0.040 0.000 1.818 551 C CB -0.589 27.178 27.740 0.046 0.000 2.903 551 C HN 0.237 nan 8.230 nan 0.000 0.632 552 S N 2.316 117.978 115.700 -0.062 0.000 2.382 552 S HA -0.166 4.300 4.470 -0.006 0.000 0.228 552 S C 1.956 176.536 174.600 -0.033 0.000 1.027 552 S CA 1.221 59.380 58.200 -0.069 0.000 0.991 552 S CB -0.577 62.592 63.200 -0.052 0.000 0.823 552 S HN 0.757 nan 8.310 nan 0.000 0.469 553 R N 0.928 121.435 120.500 0.012 0.000 2.096 553 R HA -0.007 4.330 4.340 -0.006 0.000 0.235 553 R C 2.674 179.003 176.300 0.049 0.000 1.127 553 R CA 1.688 57.816 56.100 0.045 0.000 0.968 553 R CB -0.374 29.992 30.300 0.109 0.000 0.861 553 R HN 0.456 nan 8.270 nan 0.000 0.440 554 Q N 0.164 120.008 119.800 0.073 0.000 2.119 554 Q HA -0.081 4.256 4.340 -0.006 0.000 0.201 554 Q C 1.854 177.978 176.000 0.207 0.000 0.972 554 Q CA 0.896 56.790 55.803 0.151 0.000 0.847 554 Q CB -0.091 28.795 28.738 0.248 0.000 0.903 554 Q HN 0.115 nan 8.270 nan 0.000 0.433 555 L N 0.813 122.050 121.223 0.024 0.000 1.989 555 L HA -0.202 4.134 4.340 -0.006 0.000 0.211 555 L C 1.549 178.394 176.870 -0.041 0.000 1.071 555 L CA 1.920 56.673 54.840 -0.146 0.000 0.749 555 L CB -1.075 40.792 42.059 -0.319 0.000 0.890 555 L HN 0.201 nan 8.230 nan 0.000 0.431 556 D N -0.849 119.532 120.400 -0.030 0.000 2.123 556 D HA -0.227 4.410 4.640 -0.006 0.000 0.196 556 D C 2.192 178.496 176.300 0.006 0.000 0.992 556 D CA 1.208 55.200 54.000 -0.013 0.000 0.833 556 D CB 0.146 40.942 40.800 -0.007 0.000 0.954 556 D HN 0.363 nan 8.370 nan 0.000 0.455 557 E N -0.179 120.037 120.200 0.026 0.000 2.077 557 E HA -0.136 4.211 4.350 -0.006 0.000 0.193 557 E C 1.915 178.528 176.600 0.023 0.000 0.989 557 E CA 0.587 57.002 56.400 0.025 0.000 0.800 557 E CB -0.325 29.392 29.700 0.028 0.000 0.746 557 E HN 0.139 nan 8.360 nan 0.000 0.452 558 L N 0.445 121.700 121.223 0.054 0.000 2.083 558 L HA -0.055 4.282 4.340 -0.006 0.000 0.209 558 L C 2.098 178.959 176.870 -0.015 0.000 1.083 558 L CA 1.498 56.352 54.840 0.024 0.000 0.752 558 L CB -0.375 41.748 42.059 0.107 0.000 0.899 558 L HN 0.307 nan 8.230 nan 0.000 0.433 559 I N -1.381 119.187 120.570 -0.004 0.000 2.179 559 I HA -0.333 3.834 4.170 -0.006 0.000 0.242 559 I C 2.229 178.336 176.117 -0.016 0.000 1.088 559 I CA 1.718 63.010 61.300 -0.012 0.000 1.357 559 I CB -0.711 37.280 38.000 -0.014 0.000 1.051 559 I HN 0.237 nan 8.210 nan 0.000 0.409 560 T N 1.459 116.006 114.554 -0.013 0.000 2.665 560 T HA -0.178 4.169 4.350 -0.006 0.000 0.268 560 T C 1.936 176.619 174.700 -0.029 0.000 1.035 560 T CA 1.438 63.529 62.100 -0.015 0.000 1.151 560 T CB -0.372 68.492 68.868 -0.007 0.000 0.862 560 T HN 0.238 nan 8.240 nan 0.000 0.438 561 L N 0.580 121.782 121.223 -0.036 0.000 2.046 561 L HA -0.073 4.264 4.340 -0.006 0.000 0.208 561 L C 3.051 179.849 176.870 -0.120 0.000 1.077 561 L CA 1.150 55.953 54.840 -0.060 0.000 0.747 561 L CB -0.697 41.335 42.059 -0.046 0.000 0.896 561 L HN 0.242 nan 8.230 nan 0.000 0.432 562 A N -0.244 122.513 122.820 -0.105 0.000 1.883 562 A HA -0.269 4.048 4.320 -0.006 0.000 0.217 562 A C 2.222 179.745 177.584 -0.102 0.000 1.186 562 A CA 1.690 53.659 52.037 -0.115 0.000 0.624 562 A CB -0.523 18.473 19.000 -0.007 0.000 0.822 562 A HN 0.476 nan 8.150 nan 0.000 0.444 563 Q N -0.844 118.930 119.800 -0.043 0.000 2.135 563 Q HA -0.118 4.218 4.340 -0.006 0.000 0.204 563 Q C 2.171 178.150 176.000 -0.035 0.000 0.981 563 Q CA 1.276 57.071 55.803 -0.013 0.000 0.856 563 Q CB -0.436 28.301 28.738 -0.001 0.000 0.902 563 Q HN 0.695 nan 8.270 nan 0.000 0.425 564 G N 0.897 109.658 108.800 -0.065 0.000 2.403 564 G HA2 -0.233 3.723 3.960 -0.006 0.000 0.216 564 G HA3 -0.233 3.723 3.960 -0.006 0.000 0.216 564 G C 0.870 175.712 174.900 -0.097 0.000 1.154 564 G CA 0.852 45.915 45.100 -0.061 0.000 0.784 564 G HN 0.218 nan 8.290 nan 0.000 0.538 565 D N 0.552 120.801 120.400 -0.251 0.000 2.123 565 D HA -0.101 4.536 4.640 -0.006 0.000 0.196 565 D C 2.286 178.394 176.300 -0.319 0.000 0.992 565 D CA 0.813 54.512 54.000 -0.501 0.000 0.833 565 D CB -0.124 39.667 40.800 -1.681 0.000 0.954 565 D HN 0.195 nan 8.370 nan 0.000 0.455 566 K N 1.262 121.566 120.400 -0.159 0.000 2.032 566 K HA -0.091 4.226 4.320 -0.006 0.000 0.209 566 K C 1.943 178.647 176.600 0.174 0.000 1.048 566 K CA 1.368 57.763 56.287 0.179 0.000 0.927 566 K CB -0.333 32.321 32.500 0.256 0.000 0.712 566 K HN 0.039 nan 8.250 nan 0.000 0.441 567 A N 0.585 123.460 122.820 0.092 0.000 2.019 567 A HA -0.103 4.213 4.320 -0.006 0.000 0.219 567 A C 2.254 179.878 177.584 0.067 0.000 1.164 567 A CA 1.981 54.065 52.037 0.079 0.000 0.644 567 A CB -0.400 18.617 19.000 0.028 0.000 0.805 567 A HN 0.408 nan 8.150 nan 0.000 0.449 568 S N -0.237 115.496 115.700 0.054 0.000 2.371 568 S HA -0.009 4.457 4.470 -0.006 0.000 0.224 568 S C 1.788 176.445 174.600 0.095 0.000 1.029 568 S CA 1.121 59.346 58.200 0.042 0.000 0.978 568 S CB -0.376 62.804 63.200 -0.032 0.000 0.833 568 S HN 0.548 nan 8.310 nan 0.000 0.466 569 L N 1.533 122.824 121.223 0.114 0.000 2.042 569 L HA -0.175 4.162 4.340 -0.006 0.000 0.210 569 L C 2.069 179.015 176.870 0.128 0.000 1.076 569 L CA 1.163 56.006 54.840 0.004 0.000 0.749 569 L CB -0.806 40.972 42.059 -0.468 0.000 0.893 569 L HN 0.206 nan 8.230 nan 0.000 0.432 570 D N -0.197 120.330 120.400 0.213 0.000 2.149 570 D HA -0.208 4.429 4.640 -0.006 0.000 0.198 570 D C 2.309 178.727 176.300 0.196 0.000 0.990 570 D CA 1.284 55.430 54.000 0.243 0.000 0.839 570 D CB -0.122 40.799 40.800 0.202 0.000 0.948 570 D HN 0.285 nan 8.370 nan 0.000 0.460 571 M N -0.098 119.603 119.600 0.168 0.000 2.080 571 M HA -0.143 4.334 4.480 -0.006 0.000 0.260 571 M C 2.245 178.747 176.300 0.336 0.000 1.068 571 M CA 1.190 56.642 55.300 0.253 0.000 1.109 571 M CB -0.184 32.533 32.600 0.195 0.000 1.342 571 M HN 0.011 nan 8.290 nan 0.000 0.405 572 I N -0.751 119.970 120.570 0.252 0.000 2.226 572 I HA -0.259 3.908 4.170 -0.006 0.000 0.245 572 I C 2.247 178.481 176.117 0.195 0.000 1.100 572 I CA 1.006 62.445 61.300 0.231 0.000 1.374 572 I CB -0.355 37.728 38.000 0.140 0.000 1.057 572 I HN 0.075 nan 8.210 nan 0.000 0.413 573 V N 0.971 120.997 119.914 0.186 0.000 2.358 573 V HA -0.269 3.847 4.120 -0.006 0.000 0.246 573 V C 2.702 178.891 176.094 0.159 0.000 1.047 573 V CA 1.908 64.311 62.300 0.171 0.000 1.035 573 V CB -0.913 31.035 31.823 0.208 0.000 0.658 573 V HN 0.488 nan 8.190 nan 0.000 0.452 574 A N -0.740 122.193 122.820 0.188 0.000 1.902 574 A HA -0.281 4.036 4.320 -0.006 0.000 0.217 574 A C 2.174 179.842 177.584 0.139 0.000 1.181 574 A CA 1.885 54.030 52.037 0.180 0.000 0.623 574 A CB -0.436 18.714 19.000 0.250 0.000 0.818 574 A HN 0.632 nan 8.150 nan 0.000 0.443 575 Q N -0.558 119.326 119.800 0.140 0.000 2.119 575 Q HA -0.042 4.294 4.340 -0.006 0.000 0.201 575 Q C 2.054 178.091 176.000 0.063 0.000 0.972 575 Q CA 1.224 57.054 55.803 0.046 0.000 0.847 575 Q CB -0.294 28.468 28.738 0.040 0.000 0.903 575 Q HN 0.672 nan 8.270 nan 0.000 0.433 576 L N 0.809 122.091 121.223 0.099 0.000 2.093 576 L HA -0.161 4.176 4.340 -0.006 0.000 0.208 576 L C 1.475 178.383 176.870 0.064 0.000 1.085 576 L CA 0.674 55.565 54.840 0.084 0.000 0.755 576 L CB -0.248 41.868 42.059 0.095 0.000 0.904 576 L HN 0.217 nan 8.230 nan 0.000 0.435 577 N N 0.273 119.014 118.700 0.070 0.000 2.461 577 N HA -0.052 4.685 4.740 -0.006 0.000 0.188 577 N C -0.099 175.438 175.510 0.045 0.000 1.134 577 N CA 0.199 53.283 53.050 0.057 0.000 0.878 577 N CB 0.026 38.553 38.487 0.066 0.000 0.972 577 N HN 0.232 nan 8.380 nan 0.000 0.456 578 E N 0.545 120.768 120.200 0.037 0.000 2.328 578 E HA -0.212 4.134 4.350 -0.006 0.000 0.233 578 E C -0.860 175.758 176.600 0.030 0.000 1.219 578 E CA 0.376 56.787 56.400 0.019 0.000 0.717 578 E CB -1.023 28.683 29.700 0.010 0.000 1.210 578 E HN 0.250 nan 8.360 nan 0.000 0.381 579 D N -0.220 120.212 120.400 0.054 0.000 2.473 579 D HA 0.162 4.799 4.640 -0.006 0.000 0.226 579 D C 0.757 177.117 176.300 0.100 0.000 1.089 579 D CA -0.213 53.829 54.000 0.070 0.000 0.883 579 D CB 1.005 41.852 40.800 0.077 0.000 1.029 579 D HN -0.055 nan 8.370 nan 0.000 0.517 580 T N 2.636 117.239 114.554 0.081 0.000 2.746 580 T HA -0.129 4.217 4.350 -0.006 0.000 0.267 580 T C 1.522 176.310 174.700 0.147 0.000 1.039 580 T CA 1.165 63.333 62.100 0.113 0.000 1.142 580 T CB 0.180 69.089 68.868 0.068 0.000 0.866 580 T HN 0.474 nan 8.240 nan 0.000 0.444 581 E N 0.835 121.094 120.200 0.098 0.000 2.077 581 E HA -0.048 4.299 4.350 -0.006 0.000 0.193 581 E C 2.496 179.146 176.600 0.083 0.000 0.989 581 E CA 0.976 57.423 56.400 0.078 0.000 0.800 581 E CB -0.178 29.554 29.700 0.053 0.000 0.746 581 E HN 0.453 nan 8.360 nan 0.000 0.452 582 A N 0.600 123.479 122.820 0.098 0.000 1.930 582 A HA -0.209 4.108 4.320 -0.006 0.000 0.217 582 A C 2.008 179.664 177.584 0.120 0.000 1.175 582 A CA 1.269 53.365 52.037 0.097 0.000 0.627 582 A CB -0.712 18.349 19.000 0.101 0.000 0.815 582 A HN 0.394 nan 8.150 nan 0.000 0.443 583 Y N 0.929 121.258 120.300 0.049 0.000 2.097 583 Y HA -0.220 4.327 4.550 -0.005 0.000 0.282 583 Y C 2.366 178.291 175.900 0.041 0.000 1.152 583 Y CA 2.271 60.401 58.100 0.051 0.000 1.136 583 Y CB -0.164 38.325 38.460 0.049 0.000 0.975 583 Y HN 0.322 nan 8.280 nan 0.000 0.498 584 E N -0.345 119.842 120.200 -0.021 0.000 2.085 584 E HA -0.218 4.128 4.350 -0.006 0.000 0.194 584 E C 2.478 179.007 176.600 -0.117 0.000 0.994 584 E CA 1.319 57.658 56.400 -0.101 0.000 0.801 584 E CB -0.743 28.976 29.700 0.032 0.000 0.743 584 E HN 0.461 nan 8.360 nan 0.000 0.453 585 S N 0.528 116.195 115.700 -0.055 0.000 2.348 585 S HA -0.116 4.351 4.470 -0.006 0.000 0.221 585 S C 2.125 176.687 174.600 -0.062 0.000 1.033 585 S CA 1.439 59.615 58.200 -0.039 0.000 1.010 585 S CB -0.121 63.078 63.200 -0.002 0.000 0.891 585 S HN 0.283 nan 8.310 nan 0.000 0.442 586 A N 1.254 124.031 122.820 -0.071 0.000 1.933 586 A HA -0.107 4.209 4.320 -0.006 0.000 0.218 586 A C 2.147 179.650 177.584 -0.135 0.000 1.175 586 A CA 1.972 53.969 52.037 -0.066 0.000 0.628 586 A CB -0.718 18.271 19.000 -0.018 0.000 0.814 586 A HN 0.671 nan 8.150 nan 0.000 0.444 587 K N 0.106 120.340 120.400 -0.277 0.000 2.057 587 K HA -0.229 4.087 4.320 -0.006 0.000 0.206 587 K C 2.024 178.531 176.600 -0.156 0.000 1.050 587 K CA 1.829 57.937 56.287 -0.298 0.000 0.935 587 K CB -0.155 32.025 32.500 -0.534 0.000 0.715 587 K HN 0.592 nan 8.250 nan 0.000 0.439 588 E N 0.947 121.073 120.200 -0.122 0.000 2.106 588 E HA -0.178 4.168 4.350 -0.006 0.000 0.192 588 E C 1.743 178.312 176.600 -0.051 0.000 0.984 588 E CA 1.579 57.937 56.400 -0.070 0.000 0.806 588 E CB -0.437 29.233 29.700 -0.050 0.000 0.750 588 E HN 0.456 nan 8.360 nan 0.000 0.458 589 I N 1.139 121.680 120.570 -0.049 0.000 2.163 589 I HA -0.206 3.961 4.170 -0.006 0.000 0.240 589 I C 2.636 178.735 176.117 -0.031 0.000 1.081 589 I CA 1.071 62.354 61.300 -0.029 0.000 1.353 589 I CB -0.711 37.280 38.000 -0.016 0.000 1.054 589 I HN 0.295 nan 8.210 nan 0.000 0.407 590 A N 0.517 123.312 122.820 -0.041 0.000 1.892 590 A HA -0.340 3.977 4.320 -0.006 0.000 0.218 590 A C 2.268 179.829 177.584 -0.038 0.000 1.188 590 A CA 2.400 54.413 52.037 -0.039 0.000 0.631 590 A CB -0.835 18.135 19.000 -0.049 0.000 0.822 590 A HN 0.453 nan 8.150 nan 0.000 0.447 591 Q N 0.177 119.950 119.800 -0.045 0.000 2.135 591 Q HA -0.158 4.179 4.340 -0.006 0.000 0.204 591 Q C 1.971 177.956 176.000 -0.024 0.000 0.981 591 Q CA 2.090 57.872 55.803 -0.035 0.000 0.856 591 Q CB -0.433 28.282 28.738 -0.039 0.000 0.902 591 Q HN 0.752 nan 8.270 nan 0.000 0.425 592 N N -0.811 117.875 118.700 -0.023 0.000 2.142 592 N HA -0.134 4.602 4.740 -0.006 0.000 0.186 592 N C 1.335 176.838 175.510 -0.012 0.000 1.023 592 N CA 1.062 54.103 53.050 -0.016 0.000 0.852 592 N CB 0.128 38.606 38.487 -0.014 0.000 0.998 592 N HN 0.156 nan 8.380 nan 0.000 0.424 593 K N 1.211 121.602 120.400 -0.015 0.000 2.057 593 K HA -0.143 4.174 4.320 -0.006 0.000 0.207 593 K C 2.014 178.607 176.600 -0.012 0.000 1.049 593 K CA 0.531 56.810 56.287 -0.014 0.000 0.931 593 K CB -0.705 31.784 32.500 -0.020 0.000 0.714 593 K HN 0.186 nan 8.250 nan 0.000 0.440 594 L N 2.223 123.438 121.223 -0.013 0.000 2.027 594 L HA -0.124 4.213 4.340 -0.006 0.000 0.206 594 L C 1.575 178.443 176.870 -0.003 0.000 1.074 594 L CA 1.751 56.586 54.840 -0.007 0.000 0.745 594 L CB -0.767 41.286 42.059 -0.010 0.000 0.898 594 L HN 0.093 nan 8.230 nan 0.000 0.433 595 N N -0.831 117.866 118.700 -0.005 0.000 2.166 595 N HA -0.155 4.582 4.740 -0.006 0.000 0.186 595 N C 1.724 177.235 175.510 0.002 0.000 1.019 595 N CA 1.803 54.852 53.050 -0.001 0.000 0.856 595 N CB -0.684 37.802 38.487 -0.003 0.000 0.993 595 N HN 0.411 nan 8.380 nan 0.000 0.426 596 T N 0.864 115.419 114.554 0.001 0.000 2.708 596 T HA -0.078 4.269 4.350 -0.006 0.000 0.266 596 T C 1.956 176.659 174.700 0.005 0.000 1.037 596 T CA 1.483 63.585 62.100 0.004 0.000 1.146 596 T CB -0.369 68.499 68.868 0.001 0.000 0.865 596 T HN 0.355 nan 8.240 nan 0.000 0.435 597 A N 1.187 124.008 122.820 0.002 0.000 1.902 597 A HA 0.019 4.336 4.320 -0.006 0.000 0.217 597 A C 2.316 179.901 177.584 0.001 0.000 1.181 597 A CA 1.189 53.227 52.037 0.002 0.000 0.623 597 A CB -0.857 18.144 19.000 0.003 0.000 0.818 597 A HN 0.476 nan 8.150 nan 0.000 0.443 598 L N 0.404 121.631 121.223 0.006 0.000 2.042 598 L HA -0.192 4.144 4.340 -0.006 0.000 0.210 598 L C 2.848 179.724 176.870 0.010 0.000 1.076 598 L CA 1.782 56.628 54.840 0.010 0.000 0.749 598 L CB -0.506 41.561 42.059 0.013 0.000 0.893 598 L HN 0.589 nan 8.230 nan 0.000 0.432 599 S N -2.067 113.641 115.700 0.013 0.000 2.528 599 S HA -0.005 4.462 4.470 -0.006 0.000 0.219 599 S C 1.128 175.746 174.600 0.030 0.000 0.985 599 S CA -0.048 58.164 58.200 0.020 0.000 0.914 599 S CB -0.119 63.093 63.200 0.020 0.000 0.776 599 S HN 0.298 nan 8.310 nan 0.000 0.526 600 S N 0.619 116.333 115.700 0.024 0.000 2.579 600 S HA 0.297 4.764 4.470 -0.006 0.000 0.275 600 S C 0.621 175.249 174.600 0.047 0.000 1.345 600 S CA -0.714 57.512 58.200 0.043 0.000 1.031 600 S CB 0.143 63.358 63.200 0.026 0.000 0.892 600 S HN 0.405 nan 8.310 nan 0.000 0.529 601 F N 4.453 124.376 119.950 -0.043 0.000 2.113 601 F HA 0.192 4.716 4.527 -0.005 0.000 0.297 601 F C 1.274 177.015 175.800 -0.097 0.000 1.103 601 F CA 1.022 58.980 58.000 -0.070 0.000 1.248 601 F CB -0.758 38.210 39.000 -0.055 0.000 0.999 601 F HN 0.700 nan 8.300 nan 0.000 0.475 602 A N 1.067 123.761 122.820 -0.210 0.000 2.483 602 A HA 0.429 4.746 4.320 -0.006 0.000 0.238 602 A C -0.560 176.853 177.584 -0.284 0.000 1.070 602 A CA -0.023 51.837 52.037 -0.295 0.000 0.770 602 A CB 0.088 19.061 19.000 -0.046 0.000 1.008 602 A HN 0.165 nan 8.150 nan 0.000 0.497 603 V N 3.181 122.924 119.914 -0.286 0.000 2.638 603 V HA 0.660 4.777 4.120 -0.006 0.000 0.306 603 V C -0.306 175.751 176.094 -0.060 0.000 1.052 603 V CA -0.298 61.903 62.300 -0.165 0.000 0.885 603 V CB 1.516 33.209 31.823 -0.217 0.000 0.999 603 V HN 0.865 nan 8.190 nan 0.000 0.424 604 I N 2.769 123.337 120.570 -0.004 0.000 2.841 604 I HA 0.469 4.636 4.170 -0.006 0.000 0.298 604 I C 0.401 176.549 176.117 0.052 0.000 1.304 604 I CA -0.088 61.221 61.300 0.015 0.000 1.019 604 I CB 2.284 40.287 38.000 0.006 0.000 1.282 604 I HN 0.771 nan 8.210 nan 0.000 0.432 605 S N 3.057 118.798 115.700 0.068 0.000 3.614 605 S HA -0.179 4.288 4.470 -0.006 0.000 0.360 605 S C 0.974 175.627 174.600 0.088 0.000 1.023 605 S CA 1.525 59.796 58.200 0.117 0.000 1.114 605 S CB -0.836 62.543 63.200 0.298 0.000 0.907 605 S HN 0.844 nan 8.310 nan 0.000 0.470 606 E N 0.786 121.021 120.200 0.060 0.000 2.085 606 E HA -0.115 4.231 4.350 -0.006 0.000 0.194 606 E C 1.840 178.474 176.600 0.056 0.000 0.994 606 E CA 1.638 58.072 56.400 0.057 0.000 0.801 606 E CB -0.106 29.624 29.700 0.050 0.000 0.743 606 E HN 0.492 nan 8.360 nan 0.000 0.453 607 K N -0.605 119.819 120.400 0.040 0.000 2.426 607 K HA 0.087 4.404 4.320 -0.006 0.000 0.193 607 K C 0.902 177.548 176.600 0.076 0.000 1.028 607 K CA 0.221 56.534 56.287 0.044 0.000 1.047 607 K CB 0.615 33.121 32.500 0.009 0.000 0.821 607 K HN -0.011 nan 8.250 nan 0.000 0.513 608 V N -1.573 118.395 119.914 0.090 0.000 3.938 608 V HA 0.199 4.316 4.120 -0.006 0.000 0.193 608 V C 1.723 177.927 176.094 0.183 0.000 1.148 608 V CA 0.633 63.003 62.300 0.116 0.000 1.354 608 V CB -0.546 31.298 31.823 0.036 0.000 1.627 608 V HN 0.067 nan 8.190 nan 0.000 0.512 609 A N -0.376 122.565 122.820 0.201 0.000 1.902 609 A HA -0.283 4.034 4.320 -0.006 0.000 0.217 609 A C 2.142 179.798 177.584 0.120 0.000 1.181 609 A CA 2.562 54.687 52.037 0.146 0.000 0.623 609 A CB -0.581 18.478 19.000 0.098 0.000 0.818 609 A HN 0.663 nan 8.150 nan 0.000 0.443 610 Q N -0.894 118.972 119.800 0.109 0.000 2.033 610 Q HA -0.108 4.229 4.340 -0.006 0.000 0.196 610 Q C 2.325 178.386 176.000 0.101 0.000 0.970 610 Q CA 1.611 57.462 55.803 0.080 0.000 0.828 610 Q CB -0.267 28.507 28.738 0.061 0.000 0.895 610 Q HN 0.559 nan 8.270 nan 0.000 0.440 611 S N -0.230 115.542 115.700 0.121 0.000 2.383 611 S HA -0.186 4.281 4.470 -0.006 0.000 0.229 611 S C 1.630 176.336 174.600 0.177 0.000 1.030 611 S CA 1.193 59.465 58.200 0.120 0.000 1.002 611 S CB -0.566 62.705 63.200 0.118 0.000 0.829 611 S HN 0.555 nan 8.310 nan 0.000 0.467 612 F N 2.037 122.051 119.950 0.106 0.000 2.154 612 F HA -0.106 4.418 4.527 -0.005 0.000 0.301 612 F C 1.703 177.594 175.800 0.152 0.000 1.087 612 F CA 1.548 59.654 58.000 0.177 0.000 1.274 612 F CB -0.359 38.713 39.000 0.121 0.000 1.009 612 F HN 0.266 nan 8.300 nan 0.000 0.485 613 I N -0.434 120.162 120.570 0.043 0.000 2.252 613 I HA -0.258 3.909 4.170 -0.006 0.000 0.245 613 I C 2.361 178.426 176.117 -0.086 0.000 1.102 613 I CA 1.287 62.546 61.300 -0.067 0.000 1.385 613 I CB -0.608 37.384 38.000 -0.013 0.000 1.064 613 I HN 0.145 nan 8.210 nan 0.000 0.414 614 Q N 1.441 121.215 119.800 -0.043 0.000 2.124 614 Q HA -0.216 4.121 4.340 -0.006 0.000 0.202 614 Q C 1.888 177.823 176.000 -0.109 0.000 0.977 614 Q CA 1.729 57.499 55.803 -0.055 0.000 0.850 614 Q CB -0.076 28.646 28.738 -0.027 0.000 0.901 614 Q HN 0.484 nan 8.270 nan 0.000 0.429 615 E N -0.450 119.663 120.200 -0.145 0.000 2.051 615 E HA -0.169 4.177 4.350 -0.006 0.000 0.192 615 E C 1.907 178.241 176.600 -0.444 0.000 0.991 615 E CA 1.138 57.342 56.400 -0.328 0.000 0.799 615 E CB -0.294 29.228 29.700 -0.297 0.000 0.748 615 E HN 0.476 nan 8.360 nan 0.000 0.449 616 A N 1.077 123.728 122.820 -0.281 0.000 1.902 616 A HA -0.159 4.157 4.320 -0.006 0.000 0.217 616 A C 2.199 179.782 177.584 -0.001 0.000 1.181 616 A CA 1.097 53.086 52.037 -0.080 0.000 0.623 616 A CB -0.680 18.250 19.000 -0.116 0.000 0.818 616 A HN 0.147 nan 8.150 nan 0.000 0.443 617 L N -0.252 120.944 121.223 -0.045 0.000 2.131 617 L HA -0.136 4.200 4.340 -0.006 0.000 0.210 617 L C 2.207 179.085 176.870 0.014 0.000 1.092 617 L CA 1.415 56.253 54.840 -0.003 0.000 0.759 617 L CB -0.151 41.889 42.059 -0.031 0.000 0.903 617 L HN 0.314 nan 8.230 nan 0.000 0.435 618 S N -1.373 114.304 115.700 -0.038 0.000 2.535 618 S HA 0.090 4.556 4.470 -0.006 0.000 0.214 618 S C 0.330 174.897 174.600 -0.055 0.000 0.980 618 S CA -0.362 57.807 58.200 -0.052 0.000 0.907 618 S CB -0.041 63.105 63.200 -0.090 0.000 0.790 618 S HN 0.153 nan 8.310 nan 0.000 0.510 619 F N 3.440 123.273 119.950 -0.195 0.000 2.438 619 F HA 0.372 4.898 4.527 -0.003 0.000 0.356 619 F C -0.137 175.628 175.800 -0.058 0.000 1.099 619 F CA -0.873 57.012 58.000 -0.192 0.000 1.185 619 F CB 0.577 39.403 39.000 -0.289 0.000 1.115 619 F HN -0.113 nan 8.300 nan 0.000 0.526 620 D N 7.192 127.209 120.400 -0.638 0.000 2.446 620 D HA 0.086 4.723 4.640 -0.006 0.000 0.251 620 D C 0.877 176.809 176.300 -0.615 0.000 1.137 620 D CA -0.265 53.475 54.000 -0.435 0.000 0.890 620 D CB 0.847 41.477 40.800 -0.284 0.000 1.071 620 D HN 0.585 nan 8.370 nan 0.000 0.528 621 L N 3.292 124.284 121.223 -0.385 0.000 2.127 621 L HA -0.145 4.192 4.340 -0.006 0.000 0.211 621 L C 1.922 178.715 176.870 -0.129 0.000 1.089 621 L CA 2.036 56.787 54.840 -0.149 0.000 0.757 621 L CB -0.823 41.343 42.059 0.178 0.000 0.899 621 L HN 0.512 nan 8.230 nan 0.000 0.434 622 T N -3.066 111.399 114.554 -0.148 0.000 2.977 622 T HA -0.151 4.195 4.350 -0.006 0.000 0.271 622 T C 1.621 176.258 174.700 -0.106 0.000 1.105 622 T CA 0.590 62.625 62.100 -0.109 0.000 1.116 622 T CB -0.255 68.544 68.868 -0.116 0.000 0.878 622 T HN 0.183 nan 8.240 nan 0.000 0.509 623 L N 0.139 121.270 121.223 -0.152 0.000 2.567 623 L HA 0.448 4.785 4.340 -0.006 0.000 0.225 623 L C 0.341 177.147 176.870 -0.106 0.000 1.119 623 L CA 0.181 54.942 54.840 -0.132 0.000 0.871 623 L CB -0.874 41.084 42.059 -0.168 0.000 1.036 623 L HN 0.282 nan 8.230 nan 0.000 0.459 624 I N 0.000 120.511 120.570 -0.098 0.000 2.984 624 I HA 0.000 4.167 4.170 -0.006 0.000 0.288 624 I CA 0.000 61.283 61.300 -0.028 0.000 1.566 624 I CB 0.000 37.992 38.000 -0.013 0.000 1.214 624 I HN 0.000 nan 8.210 nan 0.000 0.494