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 3nyh_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVKcDENSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLALPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SNEHSKTQcE EYcIQGDNcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLAREQI NAVTSFLDAS LVYGSEPXLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYLPFN NKKPSPcEFI NTTARVPcFL DATA SEQUENCE AGDFRASEQI LLATAHTLLL REHNRLAREL KKLNPHWNGE KLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKKSKLMNQD KMVTSELRNK LFQPTHKIHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQTV LKNKILAKKL MDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS TVDKLDLSPW ASREN 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.650 174.600 0.084 0.000 1.055 1 S CA 0.000 58.136 58.200 -0.106 0.000 1.107 1 S CB 0.000 62.960 63.200 -0.401 0.000 0.593 2 W N 3.122 124.441 121.300 0.031 0.000 5.299 2 W HA -0.103 4.493 4.660 -0.107 0.000 0.428 2 W C 0.261 176.803 176.519 0.039 0.000 1.705 2 W CA 0.885 58.254 57.345 0.039 0.000 0.910 2 W CB -2.022 27.464 29.460 0.044 0.000 2.924 2 W HN 0.795 nan 8.180 nan 0.000 1.236 3 E N 0.273 120.611 120.200 0.229 0.000 2.614 3 E HA 0.144 4.430 4.350 -0.107 0.000 0.245 3 E C 0.170 176.845 176.600 0.125 0.000 1.039 3 E CA -0.021 56.466 56.400 0.144 0.000 0.948 3 E CB 1.192 30.954 29.700 0.104 0.000 0.937 3 E HN 0.183 nan 8.360 nan 0.000 0.498 4 V N 4.526 124.510 119.914 0.116 0.000 2.485 4 V HA 0.350 4.406 4.120 -0.107 0.000 0.287 4 V C 0.651 176.784 176.094 0.065 0.000 1.022 4 V CA 1.440 63.795 62.300 0.093 0.000 1.067 4 V CB -0.512 31.368 31.823 0.095 0.000 0.967 4 V HN 0.987 nan 8.190 nan 0.000 0.479 5 G N 4.487 113.315 108.800 0.047 0.000 3.429 5 G HA2 -0.191 3.705 3.960 -0.107 0.000 0.605 5 G HA3 -0.191 3.705 3.960 -0.107 0.000 0.605 5 G C -0.168 174.756 174.900 0.040 0.000 0.973 5 G CA -0.253 44.868 45.100 0.036 0.000 0.774 5 G HN 1.594 nan 8.290 nan 0.000 0.422 6 c N 2.830 121.450 118.600 0.034 0.000 2.593 6 c HA 0.805 5.311 4.570 -0.107 0.000 0.409 6 c C 1.307 175.396 174.090 -0.002 0.000 1.304 6 c CA 0.687 57.034 56.329 0.031 0.000 2.007 6 c CB -0.012 42.512 42.510 0.025 0.000 2.614 6 c HN 1.965 nan 8.230 nan 0.000 0.585 7 G N 4.151 112.950 108.800 -0.001 0.000 4.040 7 G HA2 0.568 4.464 3.960 -0.107 0.000 0.328 7 G HA3 0.568 4.464 3.960 -0.107 0.000 0.328 7 G C 0.166 175.050 174.900 -0.026 0.000 1.503 7 G CA 0.444 45.536 45.100 -0.013 0.000 0.909 7 G HN 1.305 nan 8.290 nan 0.000 0.495 8 A N 1.825 124.609 122.820 -0.060 0.000 2.324 8 A HA 0.506 4.762 4.320 -0.107 0.000 0.220 8 A C -0.205 177.334 177.584 -0.075 0.000 1.209 8 A CA 0.437 52.432 52.037 -0.070 0.000 0.918 8 A CB 0.267 19.199 19.000 -0.114 0.000 0.959 8 A HN 0.461 nan 8.150 nan 0.000 0.507 9 P HA 0.226 nan 4.420 nan 0.000 0.201 9 P C -0.363 176.911 177.300 -0.045 0.000 1.071 9 P CA 0.330 63.387 63.100 -0.072 0.000 0.954 9 P CB 0.534 32.181 31.700 -0.087 0.000 0.768 10 V N 3.230 123.125 119.914 -0.032 0.000 2.328 10 V HA 0.291 4.347 4.120 -0.107 0.000 0.278 10 V C -1.770 174.321 176.094 -0.005 0.000 1.021 10 V CA -0.561 61.731 62.300 -0.013 0.000 0.838 10 V CB 1.566 33.388 31.823 -0.002 0.000 0.999 10 V HN 0.279 nan 8.190 nan 0.000 0.447 11 P HA 0.280 nan 4.420 nan 0.000 0.310 11 P C -0.275 177.031 177.300 0.011 0.000 1.351 11 P CA -0.169 62.934 63.100 0.004 0.000 1.116 11 P CB 1.098 32.798 31.700 -0.001 0.000 1.589 12 L N 1.134 122.364 121.223 0.011 0.000 2.375 12 L HA 0.422 4.698 4.340 -0.107 0.000 0.271 12 L C -0.551 176.333 176.870 0.023 0.000 1.107 12 L CA -0.364 54.485 54.840 0.015 0.000 0.806 12 L CB 1.381 43.448 42.059 0.013 0.000 1.146 12 L HN -0.303 nan 8.230 nan 0.000 0.447 13 V N 5.005 124.934 119.914 0.024 0.000 2.488 13 V HA 0.521 4.577 4.120 -0.107 0.000 0.293 13 V C -0.597 175.514 176.094 0.030 0.000 1.027 13 V CA -0.739 61.580 62.300 0.031 0.000 0.862 13 V CB 1.394 33.236 31.823 0.032 0.000 1.008 13 V HN 0.767 nan 8.190 nan 0.000 0.428 14 K N 4.132 124.553 120.400 0.034 0.000 2.616 14 K HA 0.614 4.869 4.320 -0.107 0.000 0.255 14 K C -1.860 174.763 176.600 0.038 0.000 0.995 14 K CA -0.271 56.035 56.287 0.032 0.000 0.860 14 K CB 1.702 34.218 32.500 0.026 0.000 1.264 14 K HN 0.686 nan 8.250 nan 0.000 0.451 15 c N 2.871 121.494 118.600 0.039 0.000 2.397 15 c HA 0.284 4.790 4.570 -0.107 0.000 0.325 15 c C -0.631 173.482 174.090 0.038 0.000 1.201 15 c CA -0.936 55.420 56.329 0.046 0.000 1.377 15 c CB 0.968 43.511 42.510 0.056 0.000 2.038 15 c HN 0.830 nan 8.230 nan 0.000 0.457 16 D N 1.953 122.375 120.400 0.037 0.000 2.382 16 D HA 0.048 4.624 4.640 -0.107 0.000 0.259 16 D C 1.183 177.504 176.300 0.035 0.000 1.224 16 D CA 0.551 54.568 54.000 0.029 0.000 0.894 16 D CB 0.757 41.572 40.800 0.025 0.000 1.127 16 D HN 0.543 nan 8.370 nan 0.000 0.487 17 E N 2.886 123.101 120.200 0.025 0.000 2.299 17 E HA -0.071 4.214 4.350 -0.107 0.000 0.193 17 E C 0.746 177.351 176.600 0.008 0.000 0.998 17 E CA 0.381 56.793 56.400 0.021 0.000 0.851 17 E CB 0.237 29.945 29.700 0.014 0.000 0.795 17 E HN 0.502 nan 8.360 nan 0.000 0.492 18 N N 0.519 119.219 118.700 0.000 0.000 2.395 18 N HA -0.059 4.617 4.740 -0.107 0.000 0.175 18 N C 0.730 176.219 175.510 -0.035 0.000 1.029 18 N CA 0.151 53.188 53.050 -0.020 0.000 0.897 18 N CB -0.109 38.365 38.487 -0.022 0.000 0.991 18 N HN -0.118 nan 8.380 nan 0.000 0.441 19 S N 2.645 118.335 115.700 -0.018 0.000 2.702 19 S HA -0.014 4.392 4.470 -0.107 0.000 0.314 19 S C -1.254 173.286 174.600 -0.100 0.000 1.244 19 S CA -0.849 57.318 58.200 -0.056 0.000 1.058 19 S CB 0.647 63.847 63.200 0.000 0.000 0.783 19 S HN 0.171 nan 8.310 nan 0.000 0.503 20 P HA 0.096 nan 4.420 nan 0.000 0.245 20 P C -0.568 176.391 177.300 -0.568 0.000 1.206 20 P CA 0.548 63.358 63.100 -0.482 0.000 0.781 20 P CB 0.028 31.263 31.700 -0.776 0.000 0.994 21 Y N -0.186 120.006 120.300 -0.181 0.000 2.496 21 Y HA 0.447 4.930 4.550 -0.112 0.000 0.331 21 Y C 1.445 176.899 175.900 -0.742 0.000 1.140 21 Y CA -1.380 56.463 58.100 -0.428 0.000 1.166 21 Y CB 1.244 39.537 38.460 -0.278 0.000 1.249 21 Y HN -0.401 nan 8.280 nan 0.000 0.479 22 R N 0.468 120.536 120.500 -0.720 0.000 2.679 22 R HA 0.189 4.464 4.340 -0.107 0.000 0.269 22 R C 0.058 176.194 176.300 -0.274 0.000 1.076 22 R CA -0.222 55.446 56.100 -0.721 0.000 1.160 22 R CB 0.468 30.464 30.300 -0.506 0.000 1.054 22 R HN 0.770 nan 8.270 nan 0.000 0.507 23 T N -1.223 113.240 114.554 -0.151 0.000 2.828 23 T HA 0.126 4.412 4.350 -0.107 0.000 0.290 23 T C 1.577 176.276 174.700 -0.001 0.000 1.019 23 T CA -0.850 61.232 62.100 -0.030 0.000 1.031 23 T CB 0.647 69.529 68.868 0.024 0.000 1.001 23 T HN 0.308 nan 8.240 nan 0.000 0.531 24 I N 1.748 122.339 120.570 0.035 0.000 2.353 24 I HA -0.106 4.000 4.170 -0.107 0.000 0.248 24 I C 2.825 179.002 176.117 0.101 0.000 1.119 24 I CA 1.862 63.206 61.300 0.073 0.000 1.417 24 I CB -1.474 36.575 38.000 0.082 0.000 1.078 24 I HN 0.975 nan 8.210 nan 0.000 0.421 25 T N -2.187 112.423 114.554 0.093 0.000 3.055 25 T HA 0.145 4.430 4.350 -0.107 0.000 0.265 25 T C 1.655 176.451 174.700 0.161 0.000 1.111 25 T CA 0.888 63.054 62.100 0.110 0.000 1.118 25 T CB 0.135 69.054 68.868 0.085 0.000 0.909 25 T HN 0.469 nan 8.240 nan 0.000 0.501 26 G N 1.095 110.010 108.800 0.192 0.000 2.217 26 G HA2 -0.219 3.677 3.960 -0.107 0.000 0.246 26 G HA3 -0.219 3.677 3.960 -0.107 0.000 0.246 26 G C -0.149 174.937 174.900 0.310 0.000 0.990 26 G CA 0.054 45.357 45.100 0.338 0.000 0.627 26 G HN 0.595 nan 8.290 nan 0.000 0.522 27 D N -0.408 120.108 120.400 0.193 0.000 2.400 27 D HA 0.351 4.927 4.640 -0.107 0.000 0.238 27 D C 1.424 177.811 176.300 0.145 0.000 1.157 27 D CA 1.204 55.303 54.000 0.164 0.000 0.889 27 D CB 0.927 41.793 40.800 0.109 0.000 1.199 27 D HN 0.776 nan 8.370 nan 0.000 0.436 28 c N 1.000 119.686 118.600 0.145 0.000 5.102 28 c HA -0.166 4.340 4.570 -0.107 0.000 0.236 28 c C 2.003 176.182 174.090 0.148 0.000 1.316 28 c CA 0.020 56.426 56.329 0.129 0.000 1.394 28 c CB -2.418 40.158 42.510 0.110 0.000 1.902 28 c HN 0.789 nan 8.230 nan 0.000 0.644 29 N N 1.973 120.763 118.700 0.150 0.000 2.080 29 N HA -0.098 4.578 4.740 -0.107 0.000 0.189 29 N C 0.424 175.981 175.510 0.078 0.000 1.036 29 N CA 1.412 54.499 53.050 0.062 0.000 0.846 29 N CB -0.149 38.179 38.487 -0.264 0.000 1.015 29 N HN 0.808 nan 8.380 nan 0.000 0.423 30 N N 0.951 119.772 118.700 0.202 0.000 2.422 30 N HA 0.069 4.745 4.740 -0.107 0.000 0.264 30 N C 0.691 176.295 175.510 0.157 0.000 1.063 30 N CA -0.106 53.082 53.050 0.231 0.000 0.959 30 N CB 0.850 39.494 38.487 0.261 0.000 1.087 30 N HN 0.174 nan 8.380 nan 0.000 0.483 31 R N 2.200 122.780 120.500 0.134 0.000 2.092 31 R HA -0.053 4.223 4.340 -0.107 0.000 0.231 31 R C 1.972 178.320 176.300 0.080 0.000 1.119 31 R CA 1.102 57.257 56.100 0.090 0.000 0.970 31 R CB 0.091 30.433 30.300 0.069 0.000 0.864 31 R HN 0.566 nan 8.270 nan 0.000 0.440 32 R N -0.304 120.246 120.500 0.083 0.000 2.161 32 R HA 0.048 4.324 4.340 -0.107 0.000 0.213 32 R C 0.147 176.491 176.300 0.074 0.000 1.055 32 R CA 0.919 57.059 56.100 0.067 0.000 0.996 32 R CB 0.339 30.672 30.300 0.056 0.000 0.901 32 R HN -0.051 nan 8.270 nan 0.000 0.456 33 S N 1.179 116.935 115.700 0.094 0.000 2.158 33 S HA 0.324 4.730 4.470 -0.107 0.000 0.160 33 S C -2.037 172.634 174.600 0.118 0.000 1.693 33 S CA -1.528 56.730 58.200 0.096 0.000 1.251 33 S CB 1.537 64.794 63.200 0.095 0.000 1.153 33 S HN 0.143 nan 8.310 nan 0.000 0.439 34 P HA -0.055 nan 4.420 nan 0.000 0.223 34 P C 1.070 178.454 177.300 0.140 0.000 1.144 34 P CA 0.754 63.929 63.100 0.125 0.000 0.783 34 P CB 0.105 31.863 31.700 0.096 0.000 0.771 35 A N -0.475 122.416 122.820 0.118 0.000 2.169 35 A HA 0.069 4.325 4.320 -0.107 0.000 0.212 35 A C 1.344 179.006 177.584 0.130 0.000 1.153 35 A CA -0.011 52.092 52.037 0.110 0.000 0.756 35 A CB -0.904 18.141 19.000 0.075 0.000 0.813 35 A HN 0.150 nan 8.150 nan 0.000 0.471 36 L N 0.028 121.344 121.223 0.155 0.000 2.534 36 L HA 0.327 4.603 4.340 -0.107 0.000 0.271 36 L C 1.559 178.532 176.870 0.172 0.000 1.178 36 L CA 0.864 55.792 54.840 0.147 0.000 0.907 36 L CB 0.245 42.408 42.059 0.173 0.000 1.164 36 L HN 0.555 nan 8.230 nan 0.000 0.482 37 G N 2.244 111.037 108.800 -0.012 0.000 2.217 37 G HA2 -0.272 3.624 3.960 -0.107 0.000 0.246 37 G HA3 -0.272 3.624 3.960 -0.107 0.000 0.246 37 G C 0.482 175.344 174.900 -0.064 0.000 0.990 37 G CA -0.035 44.877 45.100 -0.313 0.000 0.627 37 G HN 0.936 nan 8.290 nan 0.000 0.522 38 A N 0.573 123.467 122.820 0.123 0.000 2.466 38 A HA 0.759 5.015 4.320 -0.107 0.000 0.238 38 A C 1.171 178.797 177.584 0.069 0.000 1.074 38 A CA 1.232 53.353 52.037 0.141 0.000 0.774 38 A CB 0.209 19.288 19.000 0.131 0.000 1.015 38 A HN 2.143 nan 8.150 nan 0.000 0.498 39 A N 1.474 124.343 122.820 0.081 0.000 2.366 39 A HA 0.451 4.707 4.320 -0.107 0.000 0.250 39 A C 0.932 178.529 177.584 0.022 0.000 1.099 39 A CA 0.224 52.292 52.037 0.052 0.000 0.794 39 A CB -0.198 18.846 19.000 0.073 0.000 1.056 39 A HN 1.305 nan 8.150 nan 0.000 0.499 40 N N -0.770 117.927 118.700 -0.005 0.000 2.747 40 N HA -0.133 4.542 4.740 -0.107 0.000 0.249 40 N C -0.183 175.302 175.510 -0.042 0.000 1.107 40 N CA 1.533 54.561 53.050 -0.037 0.000 0.707 40 N CB -0.764 37.706 38.487 -0.030 0.000 1.054 40 N HN 0.752 nan 8.380 nan 0.000 0.555 41 R N -0.509 119.971 120.500 -0.034 0.000 2.950 41 R HA 0.754 5.030 4.340 -0.107 0.000 0.253 41 R C -0.125 176.151 176.300 -0.040 0.000 1.168 41 R CA -0.453 55.626 56.100 -0.034 0.000 1.014 41 R CB 0.906 31.199 30.300 -0.011 0.000 1.228 41 R HN 0.095 nan 8.270 nan 0.000 0.487 42 A N 1.283 124.082 122.820 -0.035 0.000 2.445 42 A HA 0.252 4.508 4.320 -0.107 0.000 0.242 42 A C 0.197 177.765 177.584 -0.027 0.000 1.075 42 A CA -0.261 51.758 52.037 -0.030 0.000 0.777 42 A CB 0.000 18.988 19.000 -0.021 0.000 1.013 42 A HN 0.528 nan 8.150 nan 0.000 0.493 43 L N 1.438 122.646 121.223 -0.025 0.000 2.485 43 L HA 0.248 4.524 4.340 -0.107 0.000 0.275 43 L C 1.194 178.044 176.870 -0.033 0.000 1.207 43 L CA -0.075 54.745 54.840 -0.033 0.000 0.855 43 L CB 0.423 42.474 42.059 -0.013 0.000 1.114 43 L HN 0.848 nan 8.230 nan 0.000 0.485 44 A N 4.512 127.299 122.820 -0.055 0.000 2.483 44 A HA 0.274 4.530 4.320 -0.107 0.000 0.238 44 A C 0.001 177.563 177.584 -0.037 0.000 1.070 44 A CA -0.243 51.782 52.037 -0.019 0.000 0.770 44 A CB 0.141 19.163 19.000 0.036 0.000 1.008 44 A HN 0.609 nan 8.150 nan 0.000 0.497 45 R N 2.056 122.591 120.500 0.058 0.000 2.239 45 R HA 0.107 4.383 4.340 -0.107 0.000 0.332 45 R C -0.175 176.300 176.300 0.293 0.000 0.988 45 R CA -0.380 55.788 56.100 0.114 0.000 0.859 45 R CB 0.541 30.885 30.300 0.072 0.000 1.148 45 R HN 0.955 nan 8.270 nan 0.000 0.482 46 W N 2.061 123.451 121.300 0.151 0.000 2.467 46 W HA 0.085 4.680 4.660 -0.109 0.000 0.275 46 W C 0.531 177.161 176.519 0.185 0.000 1.239 46 W CA 0.332 57.794 57.345 0.196 0.000 1.266 46 W CB -0.063 29.490 29.460 0.156 0.000 1.112 46 W HN 0.266 nan 8.180 nan 0.000 0.576 47 L N -0.261 121.158 121.223 0.327 0.000 2.333 47 L HA 0.379 4.655 4.340 -0.107 0.000 0.263 47 L C -2.100 174.821 176.870 0.085 0.000 1.014 47 L CA -2.205 52.693 54.840 0.097 0.000 0.820 47 L CB 1.698 43.603 42.059 -0.258 0.000 1.352 47 L HN -0.516 nan 8.230 nan 0.000 0.421 48 P HA 0.106 nan 4.420 nan 0.000 0.269 48 P C -0.690 176.626 177.300 0.026 0.000 1.209 48 P CA -0.246 62.890 63.100 0.060 0.000 0.776 48 P CB 0.593 32.347 31.700 0.091 0.000 0.876 49 A N 2.465 125.298 122.820 0.022 0.000 2.466 49 A HA 0.119 4.375 4.320 -0.107 0.000 0.238 49 A C 0.101 177.621 177.584 -0.107 0.000 1.074 49 A CA 0.083 52.078 52.037 -0.071 0.000 0.774 49 A CB -0.149 18.819 19.000 -0.054 0.000 1.015 49 A HN 0.574 nan 8.150 nan 0.000 0.498 50 E N 0.644 120.708 120.200 -0.227 0.000 2.331 50 E HA 0.383 4.669 4.350 -0.107 0.000 0.243 50 E C -1.747 174.799 176.600 -0.090 0.000 0.925 50 E CA 0.102 56.499 56.400 -0.005 0.000 0.760 50 E CB 1.061 30.847 29.700 0.144 0.000 1.254 50 E HN 0.665 nan 8.360 nan 0.000 0.419 51 Y N 0.549 120.828 120.300 -0.036 0.000 2.528 51 Y HA 0.122 4.608 4.550 -0.107 0.000 0.335 51 Y C 1.678 177.100 175.900 -0.797 0.000 1.093 51 Y CA -0.662 57.215 58.100 -0.371 0.000 1.134 51 Y CB 1.502 39.791 38.460 -0.285 0.000 1.253 51 Y HN 0.475 nan 8.280 nan 0.000 0.478 52 E N 0.846 120.459 120.200 -0.978 0.000 2.097 52 E HA -0.257 4.029 4.350 -0.107 0.000 0.196 52 E C 0.565 176.955 176.600 -0.350 0.000 1.000 52 E CA 1.888 57.728 56.400 -0.933 0.000 0.804 52 E CB 0.039 29.409 29.700 -0.550 0.000 0.740 52 E HN 0.827 nan 8.360 nan 0.000 0.454 53 D N -1.893 118.355 120.400 -0.254 0.000 2.424 53 D HA 0.102 4.678 4.640 -0.107 0.000 0.220 53 D C 1.170 177.408 176.300 -0.102 0.000 1.150 53 D CA 0.589 54.495 54.000 -0.157 0.000 0.831 53 D CB 0.330 41.017 40.800 -0.187 0.000 0.981 53 D HN 0.323 nan 8.370 nan 0.000 0.500 54 G N 0.423 109.191 108.800 -0.053 0.000 2.302 54 G HA2 -0.371 3.525 3.960 -0.107 0.000 0.263 54 G HA3 -0.371 3.525 3.960 -0.107 0.000 0.263 54 G C 0.806 175.738 174.900 0.054 0.000 0.995 54 G CA 0.945 46.061 45.100 0.026 0.000 0.622 54 G HN 0.450 nan 8.290 nan 0.000 0.538 55 L N -1.981 119.190 121.223 -0.086 0.000 2.777 55 L HA 0.638 4.914 4.340 -0.107 0.000 0.172 55 L C 2.546 179.015 176.870 -0.668 0.000 1.179 55 L CA 1.126 55.840 54.840 -0.209 0.000 0.859 55 L CB -0.130 41.799 42.059 -0.216 0.000 1.269 55 L HN 0.404 nan 8.230 nan 0.000 0.511 56 A N -1.109 121.182 122.820 -0.883 0.000 2.425 56 A HA 0.387 4.643 4.320 -0.107 0.000 0.201 56 A C 0.433 177.317 177.584 -1.167 0.000 1.431 56 A CA -0.299 50.929 52.037 -1.349 0.000 1.066 56 A CB 0.353 18.838 19.000 -0.858 0.000 1.318 56 A HN 0.097 nan 8.150 nan 0.000 0.534 57 L N 2.711 123.470 121.223 -0.772 0.000 2.305 57 L HA 0.339 4.615 4.340 -0.107 0.000 0.281 57 L C -2.314 174.318 176.870 -0.396 0.000 1.085 57 L CA -2.043 52.342 54.840 -0.760 0.000 0.813 57 L CB 1.194 42.786 42.059 -0.778 0.000 1.157 57 L HN 0.111 nan 8.230 nan 0.000 0.436 58 P HA 0.081 nan 4.420 nan 0.000 0.274 58 P C -0.589 176.700 177.300 -0.018 0.000 1.231 58 P CA -0.331 62.727 63.100 -0.070 0.000 0.790 58 P CB 0.505 32.129 31.700 -0.127 0.000 0.951 59 F N 0.959 121.002 119.950 0.155 0.000 2.607 59 F HA 0.243 4.706 4.527 -0.107 0.000 0.374 59 F C 2.010 177.962 175.800 0.253 0.000 1.104 59 F CA 2.180 60.285 58.000 0.176 0.000 1.296 59 F CB -0.251 38.833 39.000 0.139 0.000 1.085 59 F HN 0.710 nan 8.300 nan 0.000 0.584 60 G N 2.677 111.740 108.800 0.438 0.000 2.213 60 G HA2 -0.299 3.596 3.960 -0.107 0.000 0.236 60 G HA3 -0.299 3.596 3.960 -0.107 0.000 0.236 60 G C 0.997 176.139 174.900 0.403 0.000 0.991 60 G CA 0.180 45.506 45.100 0.376 0.000 0.629 60 G HN 0.785 nan 8.290 nan 0.000 0.517 61 W N 1.633 123.019 121.300 0.144 0.000 2.408 61 W HA 0.127 4.723 4.660 -0.107 0.000 0.311 61 W C 0.091 176.643 176.519 0.055 0.000 1.190 61 W CA 1.821 59.201 57.345 0.058 0.000 1.321 61 W CB -0.004 29.365 29.460 -0.152 0.000 1.143 61 W HN 0.192 nan 8.180 nan 0.000 0.501 62 T N 2.165 116.886 114.554 0.278 0.000 2.749 62 T HA 0.125 4.411 4.350 -0.107 0.000 0.287 62 T C 0.646 175.407 174.700 0.100 0.000 0.970 62 T CA -0.329 61.853 62.100 0.136 0.000 0.980 62 T CB 1.799 70.775 68.868 0.180 0.000 0.924 62 T HN -0.048 nan 8.240 nan 0.000 0.456 63 Q N 2.173 121.997 119.800 0.039 0.000 2.112 63 Q HA -0.208 4.068 4.340 -0.107 0.000 0.206 63 Q C 2.412 178.447 176.000 0.059 0.000 0.987 63 Q CA 1.638 57.465 55.803 0.040 0.000 0.858 63 Q CB -0.186 28.554 28.738 0.004 0.000 0.905 63 Q HN 0.700 nan 8.270 nan 0.000 0.420 64 R N 0.045 120.577 120.500 0.054 0.000 2.153 64 R HA 0.077 4.353 4.340 -0.107 0.000 0.218 64 R C 0.185 176.530 176.300 0.074 0.000 1.072 64 R CA 0.544 56.676 56.100 0.053 0.000 0.990 64 R CB -0.020 30.303 30.300 0.038 0.000 0.889 64 R HN -0.101 nan 8.270 nan 0.000 0.452 65 K N 2.992 123.452 120.400 0.101 0.000 2.316 65 K HA 0.060 4.316 4.320 -0.107 0.000 0.289 65 K C -0.056 176.653 176.600 0.182 0.000 1.070 65 K CA 0.173 56.536 56.287 0.128 0.000 0.928 65 K CB 1.535 34.112 32.500 0.128 0.000 1.039 65 K HN 0.297 nan 8.250 nan 0.000 0.480 66 T N 0.446 115.096 114.554 0.159 0.000 2.824 66 T HA 0.293 4.579 4.350 -0.107 0.000 0.277 66 T C 0.193 175.038 174.700 0.242 0.000 0.975 66 T CA -0.865 61.336 62.100 0.167 0.000 0.966 66 T CB 1.379 70.286 68.868 0.064 0.000 1.054 66 T HN 0.528 nan 8.240 nan 0.000 0.533 67 R N 0.850 121.432 120.500 0.137 0.000 2.360 67 R HA 0.286 4.561 4.340 -0.107 0.000 0.318 67 R C -0.269 176.022 176.300 -0.016 0.000 0.950 67 R CA -0.429 55.625 56.100 -0.078 0.000 0.837 67 R CB 0.018 30.054 30.300 -0.439 0.000 1.165 67 R HN 0.832 nan 8.270 nan 0.000 0.458 68 N N 3.045 121.735 118.700 -0.018 0.000 2.714 68 N HA -0.218 4.458 4.740 -0.107 0.000 0.250 68 N C 0.500 175.942 175.510 -0.115 0.000 1.117 68 N CA 1.640 54.682 53.050 -0.013 0.000 0.719 68 N CB -0.935 37.576 38.487 0.041 0.000 1.081 68 N HN 1.073 nan 8.380 nan 0.000 0.557 69 G N -2.095 106.603 108.800 -0.171 0.000 2.176 69 G HA2 -0.270 3.626 3.960 -0.107 0.000 0.232 69 G HA3 -0.270 3.626 3.960 -0.107 0.000 0.232 69 G C -0.114 174.391 174.900 -0.659 0.000 0.986 69 G CA 0.214 45.048 45.100 -0.443 0.000 0.643 69 G HN 0.367 nan 8.290 nan 0.000 0.522 70 F N 0.425 120.397 119.950 0.036 0.000 2.563 70 F HA 0.695 5.158 4.527 -0.107 0.000 0.316 70 F C 0.831 176.663 175.800 0.053 0.000 1.076 70 F CA -1.196 56.828 58.000 0.040 0.000 0.921 70 F CB 1.411 40.434 39.000 0.040 0.000 1.209 70 F HN -0.108 nan 8.300 nan 0.000 0.462 71 R N 1.177 121.831 120.500 0.256 0.000 2.543 71 R HA 0.431 4.706 4.340 -0.107 0.000 0.277 71 R C -0.723 175.673 176.300 0.160 0.000 1.074 71 R CA -0.589 55.615 56.100 0.175 0.000 1.076 71 R CB 0.986 31.359 30.300 0.122 0.000 0.993 71 R HN 0.532 nan 8.270 nan 0.000 0.459 72 V N 1.218 121.224 119.914 0.153 0.000 2.649 72 V HA 0.405 4.461 4.120 -0.107 0.000 0.292 72 V C -1.853 174.255 176.094 0.024 0.000 1.055 72 V CA -1.787 60.589 62.300 0.126 0.000 1.023 72 V CB 0.763 32.702 31.823 0.194 0.000 0.992 72 V HN 0.691 nan 8.190 nan 0.000 0.480 73 P HA 0.401 nan 4.420 nan 0.000 0.281 73 P C -0.342 176.884 177.300 -0.124 0.000 1.249 73 P CA -0.710 62.286 63.100 -0.173 0.000 0.810 73 P CB 1.004 32.466 31.700 -0.397 0.000 1.008 74 L N 1.377 122.540 121.223 -0.100 0.000 2.540 74 L HA -0.009 4.267 4.340 -0.107 0.000 0.276 74 L C 1.999 178.811 176.870 -0.096 0.000 1.212 74 L CA -0.160 54.622 54.840 -0.096 0.000 0.893 74 L CB 0.150 42.159 42.059 -0.084 0.000 1.138 74 L HN 0.499 nan 8.230 nan 0.000 0.491 75 A N 3.713 126.468 122.820 -0.109 0.000 1.917 75 A HA -0.250 4.006 4.320 -0.107 0.000 0.219 75 A C 2.281 179.845 177.584 -0.034 0.000 1.182 75 A CA 2.040 54.033 52.037 -0.073 0.000 0.633 75 A CB -0.397 18.521 19.000 -0.137 0.000 0.819 75 A HN 0.873 nan 8.150 nan 0.000 0.448 76 R N 0.133 120.605 120.500 -0.046 0.000 2.115 76 R HA -0.081 4.195 4.340 -0.107 0.000 0.230 76 R C 1.958 178.272 176.300 0.024 0.000 1.111 76 R CA 1.900 58.011 56.100 0.018 0.000 0.976 76 R CB -0.457 29.890 30.300 0.079 0.000 0.870 76 R HN 0.703 nan 8.270 nan 0.000 0.445 77 E N -0.660 119.534 120.200 -0.009 0.000 2.107 77 E HA -0.096 4.190 4.350 -0.107 0.000 0.191 77 E C 1.619 178.207 176.600 -0.020 0.000 0.982 77 E CA 1.133 57.522 56.400 -0.018 0.000 0.809 77 E CB 0.153 29.825 29.700 -0.047 0.000 0.756 77 E HN 0.203 nan 8.360 nan 0.000 0.459 78 V N 0.682 120.577 119.914 -0.032 0.000 2.343 78 V HA -0.264 3.792 4.120 -0.107 0.000 0.247 78 V C 2.459 178.601 176.094 0.080 0.000 1.051 78 V CA 1.868 64.171 62.300 0.005 0.000 1.036 78 V CB -0.661 31.178 31.823 0.027 0.000 0.654 78 V HN 0.311 nan 8.190 nan 0.000 0.451 79 S N 0.549 116.306 115.700 0.096 0.000 2.353 79 S HA -0.251 4.155 4.470 -0.107 0.000 0.222 79 S C 1.961 176.618 174.600 0.095 0.000 1.035 79 S CA 2.085 60.362 58.200 0.128 0.000 1.025 79 S CB -0.483 62.782 63.200 0.109 0.000 0.902 79 S HN 0.669 nan 8.310 nan 0.000 0.440 80 N N 1.250 119.984 118.700 0.056 0.000 2.069 80 N HA -0.072 4.604 4.740 -0.107 0.000 0.191 80 N C 1.741 177.277 175.510 0.042 0.000 1.031 80 N CA 1.318 54.390 53.050 0.037 0.000 0.852 80 N CB -0.349 38.144 38.487 0.011 0.000 1.018 80 N HN 0.532 nan 8.380 nan 0.000 0.423 81 K N -0.208 120.214 120.400 0.036 0.000 2.186 81 K HA 0.187 4.443 4.320 -0.107 0.000 0.202 81 K C 1.706 178.334 176.600 0.048 0.000 1.052 81 K CA 0.596 56.901 56.287 0.029 0.000 0.965 81 K CB 0.357 32.860 32.500 0.006 0.000 0.746 81 K HN 0.147 nan 8.250 nan 0.000 0.457 82 I N -0.637 119.973 120.570 0.067 0.000 3.718 82 I HA -0.084 4.021 4.170 -0.107 0.000 0.297 82 I C 1.523 177.704 176.117 0.105 0.000 1.220 82 I CA 0.269 61.614 61.300 0.076 0.000 1.381 82 I CB 0.833 38.880 38.000 0.078 0.000 1.238 82 I HN -0.178 nan 8.210 nan 0.000 0.448 83 V N 0.686 120.686 119.914 0.144 0.000 3.174 83 V HA 0.209 4.265 4.120 -0.107 0.000 0.254 83 V C 1.292 177.528 176.094 0.236 0.000 1.120 83 V CA 0.544 62.963 62.300 0.198 0.000 1.114 83 V CB -0.358 31.631 31.823 0.277 0.000 0.756 83 V HN 0.359 nan 8.190 nan 0.000 0.467 84 G N -0.204 108.707 108.800 0.185 0.000 2.507 84 G HA2 0.510 4.405 3.960 -0.107 0.000 0.271 84 G HA3 0.510 4.405 3.960 -0.107 0.000 0.271 84 G C -0.963 174.089 174.900 0.254 0.000 1.189 84 G CA -0.085 45.114 45.100 0.165 0.000 0.859 84 G HN 0.472 nan 8.290 nan 0.000 0.542 85 Y N -1.702 118.632 120.300 0.057 0.000 2.656 85 Y HA 0.576 5.061 4.550 -0.107 0.000 0.334 85 Y C -0.152 175.775 175.900 0.044 0.000 1.179 85 Y CA -1.259 56.869 58.100 0.047 0.000 1.050 85 Y CB 1.041 39.532 38.460 0.050 0.000 1.308 85 Y HN 0.279 nan 8.280 nan 0.000 0.456 86 L N 0.029 121.308 121.223 0.094 0.000 2.362 86 L HA 0.193 4.469 4.340 -0.107 0.000 0.204 86 L C -0.047 176.878 176.870 0.091 0.000 1.060 86 L CA 0.431 55.276 54.840 0.008 0.000 0.827 86 L CB 0.276 42.359 42.059 0.040 0.000 1.027 86 L HN 0.661 nan 8.230 nan 0.000 0.474 87 D N 0.784 121.333 120.400 0.249 0.000 2.347 87 D HA 0.032 4.608 4.640 -0.107 0.000 0.235 87 D C 0.757 177.246 176.300 0.316 0.000 1.149 87 D CA 0.075 54.202 54.000 0.211 0.000 0.850 87 D CB 1.096 41.983 40.800 0.145 0.000 1.061 87 D HN 0.036 nan 8.370 nan 0.000 0.487 88 E N 2.182 122.531 120.200 0.249 0.000 2.482 88 E HA -0.040 4.246 4.350 -0.107 0.000 0.196 88 E C 0.028 176.724 176.600 0.160 0.000 1.047 88 E CA 0.274 56.836 56.400 0.269 0.000 0.869 88 E CB 0.301 30.117 29.700 0.194 0.000 0.836 88 E HN 0.539 nan 8.360 nan 0.000 0.520 89 E N 0.492 120.764 120.200 0.120 0.000 2.376 89 E HA 0.138 4.424 4.350 -0.107 0.000 0.266 89 E C 1.003 177.640 176.600 0.062 0.000 1.009 89 E CA 0.482 56.930 56.400 0.081 0.000 0.902 89 E CB 0.781 30.521 29.700 0.066 0.000 0.972 89 E HN 0.318 nan 8.360 nan 0.000 0.439 90 G N 2.283 111.115 108.800 0.052 0.000 2.159 90 G HA2 -0.299 3.597 3.960 -0.107 0.000 0.256 90 G HA3 -0.299 3.597 3.960 -0.107 0.000 0.256 90 G C 0.772 175.685 174.900 0.022 0.000 0.977 90 G CA 0.279 45.400 45.100 0.034 0.000 0.652 90 G HN 0.486 nan 8.290 nan 0.000 0.531 91 V N 0.843 120.776 119.914 0.033 0.000 3.608 91 V HA 0.430 4.486 4.120 -0.107 0.000 0.269 91 V C 1.448 177.565 176.094 0.038 0.000 1.245 91 V CA 0.508 62.810 62.300 0.004 0.000 1.138 91 V CB -0.156 31.663 31.823 -0.006 0.000 0.841 91 V HN 0.398 nan 8.190 nan 0.000 0.451 92 L N 0.787 122.045 121.223 0.058 0.000 2.436 92 L HA 0.318 4.594 4.340 -0.107 0.000 0.265 92 L C 0.241 177.148 176.870 0.061 0.000 1.168 92 L CA -0.135 54.749 54.840 0.073 0.000 0.815 92 L CB 0.279 42.387 42.059 0.081 0.000 1.109 92 L HN 0.078 nan 8.230 nan 0.000 0.462 93 D N 1.712 122.157 120.400 0.075 0.000 2.336 93 D HA 0.009 4.585 4.640 -0.107 0.000 0.249 93 D C 0.621 176.945 176.300 0.040 0.000 1.213 93 D CA -0.143 53.890 54.000 0.054 0.000 0.870 93 D CB 1.259 42.103 40.800 0.074 0.000 1.076 93 D HN 0.387 nan 8.370 nan 0.000 0.483 94 Q N 2.503 122.317 119.800 0.024 0.000 2.488 94 Q HA -0.072 4.203 4.340 -0.107 0.000 0.211 94 Q C 0.264 176.270 176.000 0.010 0.000 0.967 94 Q CA 0.612 56.429 55.803 0.024 0.000 0.926 94 Q CB 0.118 28.867 28.738 0.018 0.000 0.992 94 Q HN 0.365 nan 8.270 nan 0.000 0.506 95 N N 0.445 119.136 118.700 -0.016 0.000 2.588 95 N HA 0.095 4.771 4.740 -0.107 0.000 0.298 95 N C -1.318 174.130 175.510 -0.103 0.000 1.718 95 N CA -0.033 52.988 53.050 -0.049 0.000 0.888 95 N CB 0.521 38.968 38.487 -0.067 0.000 1.389 95 N HN -0.134 nan 8.380 nan 0.000 0.491 96 R N 0.089 120.554 120.500 -0.058 0.000 2.522 96 R HA 0.266 4.542 4.340 -0.107 0.000 0.273 96 R C -0.419 175.935 176.300 0.089 0.000 1.133 96 R CA -0.493 55.555 56.100 -0.086 0.000 0.969 96 R CB 0.929 31.071 30.300 -0.264 0.000 1.235 96 R HN 0.279 nan 8.270 nan 0.000 0.433 97 S N 1.167 116.957 115.700 0.150 0.000 2.608 97 S HA 0.105 4.511 4.470 -0.107 0.000 0.261 97 S C 1.262 176.010 174.600 0.247 0.000 1.314 97 S CA -0.622 57.691 58.200 0.188 0.000 0.992 97 S CB 0.784 64.091 63.200 0.178 0.000 0.935 97 S HN 0.564 nan 8.310 nan 0.000 0.564 98 L N 0.637 121.981 121.223 0.202 0.000 2.265 98 L HA 0.086 4.362 4.340 -0.107 0.000 0.215 98 L C 2.009 178.995 176.870 0.194 0.000 1.117 98 L CA 1.295 56.248 54.840 0.188 0.000 0.782 98 L CB -1.096 41.048 42.059 0.142 0.000 0.914 98 L HN 0.819 nan 8.230 nan 0.000 0.441 99 L N -1.391 119.955 121.223 0.205 0.000 2.191 99 L HA -0.201 4.075 4.340 -0.107 0.000 0.212 99 L C 2.215 179.287 176.870 0.337 0.000 1.103 99 L CA 1.551 56.507 54.840 0.193 0.000 0.769 99 L CB -0.799 41.299 42.059 0.064 0.000 0.908 99 L HN 0.396 nan 8.230 nan 0.000 0.438 100 F N -0.592 119.484 119.950 0.211 0.000 2.075 100 F HA -0.275 4.186 4.527 -0.110 0.000 0.297 100 F C 2.439 178.313 175.800 0.124 0.000 1.113 100 F CA 2.161 60.199 58.000 0.064 0.000 1.218 100 F CB -0.441 38.601 39.000 0.070 0.000 0.984 100 F HN 0.180 nan 8.300 nan 0.000 0.472 101 M N 0.481 120.098 119.600 0.028 0.000 2.065 101 M HA -0.265 4.151 4.480 -0.107 0.000 0.259 101 M C 2.228 178.444 176.300 -0.140 0.000 1.069 101 M CA 2.191 57.422 55.300 -0.114 0.000 1.110 101 M CB -1.065 31.559 32.600 0.040 0.000 1.328 101 M HN 0.403 nan 8.290 nan 0.000 0.405 102 Q N -0.309 119.473 119.800 -0.030 0.000 2.119 102 Q HA -0.195 4.081 4.340 -0.107 0.000 0.201 102 Q C 1.891 177.836 176.000 -0.092 0.000 0.972 102 Q CA 2.022 57.795 55.803 -0.051 0.000 0.847 102 Q CB -0.834 27.925 28.738 0.035 0.000 0.903 102 Q HN 0.715 nan 8.270 nan 0.000 0.433 103 W N 0.003 121.157 121.300 -0.242 0.000 2.388 103 W HA -0.059 4.538 4.660 -0.104 0.000 0.294 103 W C 1.579 177.758 176.519 -0.566 0.000 1.212 103 W CA 1.292 58.443 57.345 -0.322 0.000 1.271 103 W CB -0.312 28.950 29.460 -0.330 0.000 1.126 103 W HN 0.330 nan 8.180 nan 0.000 0.535 104 G N 0.543 108.998 108.800 -0.576 0.000 2.476 104 G HA2 -0.395 3.501 3.960 -0.107 0.000 0.218 104 G HA3 -0.395 3.501 3.960 -0.107 0.000 0.218 104 G C 1.401 175.848 174.900 -0.754 0.000 1.164 104 G CA 1.261 46.000 45.100 -0.601 0.000 0.768 104 G HN 0.410 nan 8.290 nan 0.000 0.560 105 Q N -0.447 118.963 119.800 -0.650 0.000 2.124 105 Q HA -0.076 4.200 4.340 -0.107 0.000 0.202 105 Q C 2.562 178.064 176.000 -0.829 0.000 0.977 105 Q CA 0.835 56.184 55.803 -0.756 0.000 0.850 105 Q CB -0.126 28.264 28.738 -0.580 0.000 0.901 105 Q HN 0.405 nan 8.270 nan 0.000 0.429 106 I N 0.225 120.376 120.570 -0.700 0.000 2.179 106 I HA -0.239 3.867 4.170 -0.107 0.000 0.242 106 I C 2.345 178.098 176.117 -0.606 0.000 1.088 106 I CA 1.000 61.891 61.300 -0.681 0.000 1.357 106 I CB -1.065 36.427 38.000 -0.846 0.000 1.051 106 I HN 0.143 nan 8.210 nan 0.000 0.409 107 V N 1.155 120.646 119.914 -0.706 0.000 2.407 107 V HA -0.274 3.782 4.120 -0.107 0.000 0.248 107 V C 2.367 178.467 176.094 0.009 0.000 1.055 107 V CA 2.118 64.263 62.300 -0.259 0.000 1.049 107 V CB -0.688 31.105 31.823 -0.049 0.000 0.662 107 V HN 0.475 nan 8.190 nan 0.000 0.455 108 D N -0.790 119.456 120.400 -0.257 0.000 2.183 108 D HA -0.170 4.406 4.640 -0.107 0.000 0.203 108 D C 1.912 178.240 176.300 0.047 0.000 0.969 108 D CA 1.235 55.086 54.000 -0.249 0.000 0.842 108 D CB -0.083 40.181 40.800 -0.892 0.000 0.957 108 D HN 0.667 nan 8.370 nan 0.000 0.484 109 H N -0.571 118.378 119.070 -0.202 0.000 2.512 109 H HA -0.036 4.456 4.556 -0.107 0.000 0.279 109 H C 1.550 176.854 175.328 -0.041 0.000 0.999 109 H CA 0.454 56.424 56.048 -0.130 0.000 1.283 109 H CB 0.523 30.196 29.762 -0.149 0.000 1.421 109 H HN 0.134 nan 8.280 nan 0.000 0.554 110 D N 0.867 121.325 120.400 0.097 0.000 2.219 110 D HA -0.087 4.488 4.640 -0.107 0.000 0.205 110 D C 1.848 178.244 176.300 0.160 0.000 0.970 110 D CA 0.670 54.740 54.000 0.118 0.000 0.851 110 D CB 0.367 41.231 40.800 0.106 0.000 0.943 110 D HN 0.382 nan 8.370 nan 0.000 0.488 111 L N -0.107 121.226 121.223 0.183 0.000 2.316 111 L HA 0.163 4.438 4.340 -0.107 0.000 0.207 111 L C 0.438 177.396 176.870 0.146 0.000 1.070 111 L CA 0.353 55.302 54.840 0.182 0.000 0.820 111 L CB 0.195 42.414 42.059 0.267 0.000 0.992 111 L HN -0.023 nan 8.230 nan 0.000 0.466 112 D N -1.597 118.898 120.400 0.159 0.000 2.655 112 D HA 0.329 4.905 4.640 -0.107 0.000 0.229 112 D C -1.524 174.883 176.300 0.177 0.000 1.229 112 D CA -0.379 53.703 54.000 0.137 0.000 0.807 112 D CB 3.048 43.921 40.800 0.121 0.000 1.514 112 D HN -0.241 nan 8.370 nan 0.000 0.444 113 F N 0.804 120.725 119.950 -0.050 0.000 2.722 113 F HA 0.540 5.004 4.527 -0.106 0.000 0.336 113 F C -1.806 173.949 175.800 -0.075 0.000 1.216 113 F CA -1.005 56.940 58.000 -0.092 0.000 1.065 113 F CB 1.698 40.635 39.000 -0.105 0.000 1.325 113 F HN 0.615 nan 8.300 nan 0.000 0.524 114 A N 8.171 130.918 122.820 -0.121 0.000 2.394 114 A HA 0.759 5.014 4.320 -0.107 0.000 0.333 114 A C -2.811 174.491 177.584 -0.470 0.000 1.397 114 A CA -1.302 50.597 52.037 -0.230 0.000 0.884 114 A CB 0.045 19.079 19.000 0.057 0.000 1.147 114 A HN 0.378 nan 8.150 nan 0.000 0.505 115 P HA 0.323 nan 4.420 nan 0.000 0.286 115 P C -0.470 176.586 177.300 -0.406 0.000 1.261 115 P CA -0.409 62.172 63.100 -0.866 0.000 0.821 115 P CB 1.004 31.989 31.700 -1.193 0.000 1.013 116 E N 0.526 120.558 120.200 -0.279 0.000 2.452 116 E HA 0.077 4.363 4.350 -0.107 0.000 0.261 116 E C 0.403 176.898 176.600 -0.175 0.000 0.987 116 E CA 0.207 56.513 56.400 -0.157 0.000 0.926 116 E CB -0.013 29.628 29.700 -0.098 0.000 0.934 116 E HN 0.462 nan 8.360 nan 0.000 0.452 117 T N 0.698 115.193 114.554 -0.099 0.000 2.934 117 T HA -0.125 4.161 4.350 -0.107 0.000 0.321 117 T C 0.236 174.848 174.700 -0.147 0.000 1.080 117 T CA -0.146 61.884 62.100 -0.117 0.000 1.132 117 T CB 0.583 69.441 68.868 -0.017 0.000 1.039 117 T HN 0.519 nan 8.240 nan 0.000 0.543 118 E N 1.548 121.647 120.200 -0.169 0.000 2.149 118 E HA 0.400 4.686 4.350 -0.107 0.000 0.255 118 E C -0.262 176.262 176.600 -0.127 0.000 0.888 118 E CA -0.650 55.655 56.400 -0.158 0.000 0.742 118 E CB 0.748 30.349 29.700 -0.166 0.000 1.164 118 E HN 0.614 nan 8.360 nan 0.000 0.422 119 L N 3.448 124.610 121.223 -0.103 0.000 2.966 119 L HA 0.466 4.742 4.340 -0.107 0.000 0.262 119 L C 0.243 177.069 176.870 -0.073 0.000 1.165 119 L CA 0.251 55.046 54.840 -0.076 0.000 0.978 119 L CB 1.370 43.405 42.059 -0.041 0.000 1.337 119 L HN 0.467 nan 8.230 nan 0.000 0.563 120 G N -0.088 108.651 108.800 -0.102 0.000 2.955 120 G HA2 0.497 4.393 3.960 -0.107 0.000 0.336 120 G HA3 0.497 4.393 3.960 -0.107 0.000 0.336 120 G C -0.895 173.929 174.900 -0.126 0.000 1.264 120 G CA -0.154 44.881 45.100 -0.109 0.000 1.096 120 G HN 0.089 nan 8.290 nan 0.000 0.486 121 S N 1.997 117.634 115.700 -0.104 0.000 2.498 121 S HA 0.408 4.814 4.470 -0.107 0.000 0.317 121 S C 0.222 174.763 174.600 -0.098 0.000 1.090 121 S CA -0.634 57.506 58.200 -0.101 0.000 1.089 121 S CB 1.216 64.365 63.200 -0.084 0.000 0.997 121 S HN 0.823 nan 8.310 nan 0.000 0.470 122 N N 2.581 121.214 118.700 -0.112 0.000 2.621 122 N HA -0.190 4.486 4.740 -0.107 0.000 0.269 122 N C -1.120 174.289 175.510 -0.168 0.000 1.154 122 N CA 0.662 53.634 53.050 -0.130 0.000 0.696 122 N CB -0.566 37.861 38.487 -0.099 0.000 0.878 122 N HN 0.674 nan 8.380 nan 0.000 0.550 123 E N 0.484 120.565 120.200 -0.198 0.000 2.331 123 E HA 0.414 4.700 4.350 -0.107 0.000 0.275 123 E C 0.291 176.763 176.600 -0.214 0.000 0.895 123 E CA -0.566 55.719 56.400 -0.191 0.000 0.753 123 E CB 0.665 30.306 29.700 -0.098 0.000 1.216 123 E HN 0.345 nan 8.360 nan 0.000 0.434 124 H N 1.441 120.524 119.070 0.023 0.000 2.551 124 H HA 0.072 4.564 4.556 -0.107 0.000 0.266 124 H C 1.211 176.587 175.328 0.080 0.000 0.977 124 H CA 0.663 56.744 56.048 0.054 0.000 1.163 124 H CB 0.565 30.361 29.762 0.056 0.000 1.381 124 H HN 0.261 nan 8.280 nan 0.000 0.581 125 S N 0.454 116.239 115.700 0.143 0.000 2.414 125 S HA -0.068 4.337 4.470 -0.107 0.000 0.227 125 S C 1.925 176.624 174.600 0.165 0.000 1.022 125 S CA 0.620 58.910 58.200 0.151 0.000 0.958 125 S CB 0.269 63.533 63.200 0.106 0.000 0.797 125 S HN 0.436 nan 8.310 nan 0.000 0.493 126 K N 0.749 121.179 120.400 0.050 0.000 1.991 126 K HA -0.114 4.142 4.320 -0.107 0.000 0.212 126 K C 2.464 179.164 176.600 0.166 0.000 1.049 126 K CA 1.921 58.217 56.287 0.015 0.000 0.932 126 K CB -1.059 31.375 32.500 -0.109 0.000 0.717 126 K HN 0.591 nan 8.250 nan 0.000 0.441 127 T N -0.109 114.523 114.554 0.131 0.000 2.595 127 T HA -0.305 3.981 4.350 -0.107 0.000 0.264 127 T C 2.166 176.981 174.700 0.192 0.000 1.058 127 T CA 1.565 63.754 62.100 0.148 0.000 1.166 127 T CB -0.647 68.323 68.868 0.171 0.000 0.863 127 T HN 0.292 nan 8.240 nan 0.000 0.415 128 Q N -0.099 119.862 119.800 0.268 0.000 2.217 128 Q HA -0.204 4.072 4.340 -0.107 0.000 0.209 128 Q C 2.470 178.631 176.000 0.268 0.000 0.988 128 Q CA 1.897 57.904 55.803 0.340 0.000 0.878 128 Q CB -0.589 28.306 28.738 0.261 0.000 0.909 128 Q HN 0.728 nan 8.270 nan 0.000 0.424 129 c N -0.285 118.465 118.600 0.249 0.000 2.522 129 c HA -0.005 4.501 4.570 -0.107 0.000 0.280 129 c C 2.502 176.650 174.090 0.097 0.000 1.303 129 c CA 0.903 57.355 56.329 0.204 0.000 1.709 129 c CB -0.632 42.097 42.510 0.365 0.000 2.071 129 c HN 0.682 nan 8.230 nan 0.000 0.492 130 E N 0.206 120.493 120.200 0.145 0.000 2.046 130 E HA -0.181 4.105 4.350 -0.107 0.000 0.190 130 E C 2.085 178.643 176.600 -0.069 0.000 0.982 130 E CA 1.208 57.637 56.400 0.048 0.000 0.800 130 E CB -0.132 29.663 29.700 0.159 0.000 0.756 130 E HN 0.665 nan 8.360 nan 0.000 0.449 131 E N -0.914 119.205 120.200 -0.136 0.000 2.072 131 E HA -0.141 4.144 4.350 -0.107 0.000 0.190 131 E C 1.314 177.553 176.600 -0.601 0.000 0.982 131 E CA 1.002 57.128 56.400 -0.456 0.000 0.803 131 E CB 0.124 29.393 29.700 -0.718 0.000 0.755 131 E HN 0.422 nan 8.360 nan 0.000 0.453 132 Y N -1.543 118.769 120.300 0.021 0.000 2.445 132 Y HA 0.176 4.662 4.550 -0.107 0.000 0.247 132 Y C 0.634 176.518 175.900 -0.028 0.000 1.129 132 Y CA -0.496 57.604 58.100 -0.000 0.000 1.251 132 Y CB 0.503 38.968 38.460 0.009 0.000 1.176 132 Y HN -0.022 nan 8.280 nan 0.000 0.522 133 c N 1.868 120.495 118.600 0.045 0.000 4.365 133 c HA -0.239 4.267 4.570 -0.107 0.000 0.299 133 c C 0.353 174.433 174.090 -0.018 0.000 1.409 133 c CA -0.557 55.751 56.329 -0.034 0.000 2.007 133 c CB -3.148 39.303 42.510 -0.098 0.000 1.264 133 c HN 0.337 nan 8.230 nan 0.000 0.777 134 I N 0.963 121.555 120.570 0.037 0.000 2.307 134 I HA 0.216 4.322 4.170 -0.107 0.000 0.289 134 I C 0.617 176.731 176.117 -0.005 0.000 1.021 134 I CA 0.308 61.614 61.300 0.010 0.000 1.224 134 I CB 0.873 38.899 38.000 0.043 0.000 1.376 134 I HN 0.393 nan 8.210 nan 0.000 0.470 135 Q N 5.491 125.239 119.800 -0.088 0.000 2.300 135 Q HA 0.450 4.726 4.340 -0.107 0.000 0.280 135 Q C -0.269 175.679 176.000 -0.086 0.000 1.033 135 Q CA -0.023 55.693 55.803 -0.146 0.000 0.903 135 Q CB 0.842 29.338 28.738 -0.404 0.000 1.195 135 Q HN 0.890 nan 8.270 nan 0.000 0.386 136 G N 3.474 112.343 108.800 0.115 0.000 2.476 136 G HA2 0.289 4.185 3.960 -0.107 0.000 0.309 136 G HA3 0.289 4.185 3.960 -0.107 0.000 0.309 136 G C -1.414 173.695 174.900 0.348 0.000 1.575 136 G CA -0.297 44.955 45.100 0.252 0.000 0.913 136 G HN 0.771 nan 8.290 nan 0.000 0.623 137 D N 0.470 121.093 120.400 0.372 0.000 3.301 137 D HA -0.238 4.338 4.640 -0.107 0.000 0.217 137 D C 1.497 177.966 176.300 0.283 0.000 1.548 137 D CA 1.048 55.185 54.000 0.228 0.000 1.118 137 D CB -0.210 40.697 40.800 0.178 0.000 0.684 137 D HN 0.444 nan 8.370 nan 0.000 0.821 138 N N -0.265 118.578 118.700 0.240 0.000 2.322 138 N HA -0.147 4.529 4.740 -0.107 0.000 0.189 138 N C 0.874 176.634 175.510 0.416 0.000 1.012 138 N CA 0.955 54.182 53.050 0.294 0.000 0.880 138 N CB -0.516 38.136 38.487 0.274 0.000 0.967 138 N HN 0.469 nan 8.380 nan 0.000 0.439 139 c N 1.399 120.248 118.600 0.414 0.000 2.464 139 c HA 0.284 4.790 4.570 -0.107 0.000 0.370 139 c C -0.091 174.248 174.090 0.414 0.000 1.267 139 c CA -0.700 55.840 56.329 0.351 0.000 1.781 139 c CB -1.828 40.850 42.510 0.280 0.000 2.431 139 c HN 0.257 nan 8.230 nan 0.000 0.556 140 F N 9.090 129.157 119.950 0.195 0.000 2.593 140 F HA 0.453 4.916 4.527 -0.107 0.000 0.336 140 F C -2.479 173.331 175.800 0.016 0.000 1.491 140 F CA -3.141 54.987 58.000 0.215 0.000 1.114 140 F CB 0.251 39.523 39.000 0.454 0.000 1.468 140 F HN 0.443 nan 8.300 nan 0.000 0.579 141 P HA 0.074 nan 4.420 nan 0.000 0.266 141 P C 0.028 177.040 177.300 -0.481 0.000 1.195 141 P CA 0.388 63.323 63.100 -0.276 0.000 0.768 141 P CB 0.818 32.379 31.700 -0.232 0.000 0.838 142 I N 3.671 123.956 120.570 -0.475 0.000 2.294 142 I HA 0.104 4.210 4.170 -0.107 0.000 0.295 142 I C 0.701 176.497 176.117 -0.535 0.000 1.098 142 I CA -0.183 60.811 61.300 -0.509 0.000 1.277 142 I CB -0.006 37.760 38.000 -0.392 0.000 1.434 142 I HN 0.120 nan 8.210 nan 0.000 0.498 143 M N 6.371 125.703 119.600 -0.447 0.000 2.235 143 M HA 0.319 4.735 4.480 -0.107 0.000 0.351 143 M C -0.216 175.881 176.300 -0.339 0.000 1.178 143 M CA -0.068 54.979 55.300 -0.421 0.000 1.143 143 M CB 0.145 32.594 32.600 -0.251 0.000 1.530 143 M HN 0.237 nan 8.290 nan 0.000 0.461 144 F N 4.208 124.085 119.950 -0.122 0.000 2.443 144 F HA 0.272 4.734 4.527 -0.107 0.000 0.353 144 F C -1.317 174.432 175.800 -0.084 0.000 1.101 144 F CA -1.566 56.373 58.000 -0.103 0.000 1.226 144 F CB 0.222 39.165 39.000 -0.096 0.000 1.140 144 F HN 0.384 nan 8.300 nan 0.000 0.557 145 P HA 0.039 nan 4.420 nan 0.000 0.274 145 P C 0.349 177.675 177.300 0.042 0.000 1.246 145 P CA -0.511 62.617 63.100 0.046 0.000 0.795 145 P CB 1.028 32.739 31.700 0.018 0.000 1.006 146 K N 1.654 122.063 120.400 0.015 0.000 2.059 146 K HA -0.207 4.049 4.320 -0.107 0.000 0.212 146 K C 1.161 177.756 176.600 -0.008 0.000 1.050 146 K CA 2.122 58.412 56.287 0.006 0.000 0.927 146 K CB -0.399 32.100 32.500 -0.002 0.000 0.714 146 K HN 0.424 nan 8.250 nan 0.000 0.447 147 N N 0.862 119.552 118.700 -0.016 0.000 2.383 147 N HA -0.044 4.632 4.740 -0.107 0.000 0.192 147 N C -0.547 174.931 175.510 -0.052 0.000 1.141 147 N CA -0.375 52.658 53.050 -0.029 0.000 0.851 147 N CB 0.200 38.672 38.487 -0.024 0.000 0.976 147 N HN 0.190 nan 8.380 nan 0.000 0.465 148 D N 1.326 121.686 120.400 -0.066 0.000 2.417 148 D HA 0.023 4.599 4.640 -0.107 0.000 0.250 148 D C -1.489 174.695 176.300 -0.194 0.000 1.166 148 D CA -1.839 52.080 54.000 -0.135 0.000 0.881 148 D CB 1.316 42.021 40.800 -0.160 0.000 1.164 148 D HN 0.045 nan 8.370 nan 0.000 0.467 149 P HA -0.133 nan 4.420 nan 0.000 0.217 149 P C 1.060 178.201 177.300 -0.265 0.000 1.148 149 P CA 1.196 64.190 63.100 -0.177 0.000 0.828 149 P CB 0.304 31.920 31.700 -0.140 0.000 0.783 150 K N -1.073 119.053 120.400 -0.457 0.000 2.209 150 K HA -0.109 4.146 4.320 -0.107 0.000 0.204 150 K C 1.843 178.059 176.600 -0.640 0.000 1.048 150 K CA 0.741 56.624 56.287 -0.673 0.000 0.940 150 K CB -0.709 31.074 32.500 -1.196 0.000 0.729 150 K HN 0.080 nan 8.250 nan 0.000 0.451 151 L N 2.000 122.906 121.223 -0.529 0.000 2.079 151 L HA -0.186 4.089 4.340 -0.107 0.000 0.210 151 L C 1.634 178.450 176.870 -0.091 0.000 1.081 151 L CA 1.818 56.564 54.840 -0.158 0.000 0.752 151 L CB -0.274 41.754 42.059 -0.053 0.000 0.896 151 L HN 0.032 nan 8.230 nan 0.000 0.433 152 K N -1.576 118.751 120.400 -0.121 0.000 2.155 152 K HA -0.050 4.206 4.320 -0.107 0.000 0.203 152 K C 1.612 178.171 176.600 -0.067 0.000 1.052 152 K CA 1.660 57.901 56.287 -0.076 0.000 0.948 152 K CB -0.138 32.318 32.500 -0.073 0.000 0.728 152 K HN 0.554 nan 8.250 nan 0.000 0.448 153 T N -3.296 111.200 114.554 -0.096 0.000 2.959 153 T HA 0.131 4.417 4.350 -0.107 0.000 0.254 153 T C 1.451 176.121 174.700 -0.051 0.000 1.003 153 T CA -0.215 61.844 62.100 -0.067 0.000 0.950 153 T CB 0.490 69.313 68.868 -0.076 0.000 1.090 153 T HN -0.017 nan 8.240 nan 0.000 0.503 154 Q N 0.266 120.030 119.800 -0.060 0.000 2.103 154 Q HA 0.475 4.751 4.340 -0.107 0.000 0.219 154 Q C 0.814 176.866 176.000 0.086 0.000 0.784 154 Q CA 0.064 55.863 55.803 -0.006 0.000 1.014 154 Q CB 1.420 30.136 28.738 -0.036 0.000 1.183 154 Q HN 0.703 nan 8.270 nan 0.000 0.469 155 G N 1.281 110.132 108.800 0.085 0.000 2.508 155 G HA2 -0.247 3.649 3.960 -0.107 0.000 0.220 155 G HA3 -0.247 3.649 3.960 -0.107 0.000 0.220 155 G C 0.099 175.131 174.900 0.220 0.000 1.287 155 G CA -0.179 44.980 45.100 0.098 0.000 0.916 155 G HN 0.074 nan 8.290 nan 0.000 0.574 156 K N -0.314 120.135 120.400 0.082 0.000 2.323 156 K HA 0.274 4.530 4.320 -0.107 0.000 0.197 156 K C 1.109 177.518 176.600 -0.318 0.000 1.043 156 K CA 1.444 57.745 56.287 0.022 0.000 0.997 156 K CB -0.061 32.418 32.500 -0.035 0.000 0.807 156 K HN 1.289 nan 8.250 nan 0.000 0.497 157 c N -1.865 116.394 118.600 -0.569 0.000 3.332 157 c HA 0.666 5.172 4.570 -0.107 0.000 0.329 157 c C -0.933 172.632 174.090 -0.875 0.000 1.434 157 c CA -1.325 54.406 56.329 -0.996 0.000 1.314 157 c CB 0.936 43.133 42.510 -0.521 0.000 1.664 157 c HN 0.081 nan 8.230 nan 0.000 0.457 158 M N 3.187 122.318 119.600 -0.782 0.000 2.268 158 M HA 0.502 4.918 4.480 -0.107 0.000 0.344 158 M C -2.319 173.794 176.300 -0.311 0.000 1.106 158 M CA -1.587 53.417 55.300 -0.494 0.000 1.010 158 M CB 2.249 34.616 32.600 -0.389 0.000 1.649 158 M HN 0.605 nan 8.290 nan 0.000 0.443 159 P HA 0.133 nan 4.420 nan 0.000 0.269 159 P C -1.372 175.771 177.300 -0.263 0.000 1.209 159 P CA 0.203 63.121 63.100 -0.303 0.000 0.776 159 P CB 0.491 32.012 31.700 -0.298 0.000 0.876 160 F N 2.712 122.207 119.950 -0.759 0.000 2.623 160 F HA 0.487 4.950 4.527 -0.107 0.000 0.323 160 F C -1.828 173.551 175.800 -0.701 0.000 1.158 160 F CA -0.843 56.837 58.000 -0.534 0.000 1.030 160 F CB 1.089 39.922 39.000 -0.279 0.000 1.280 160 F HN 0.069 nan 8.300 nan 0.000 0.474 161 F N 4.723 124.524 119.950 -0.248 0.000 2.495 161 F HA 0.601 5.063 4.527 -0.107 0.000 0.327 161 F C 0.292 175.991 175.800 -0.169 0.000 1.103 161 F CA -0.970 56.995 58.000 -0.059 0.000 0.949 161 F CB 1.504 40.478 39.000 -0.044 0.000 1.142 161 F HN 0.268 nan 8.300 nan 0.000 0.457 162 R N 1.623 122.283 120.500 0.267 0.000 2.623 162 R HA 0.414 4.689 4.340 -0.107 0.000 0.271 162 R C 0.136 176.520 176.300 0.139 0.000 1.043 162 R CA -0.342 55.910 56.100 0.254 0.000 1.083 162 R CB 0.383 30.832 30.300 0.250 0.000 0.974 162 R HN 0.789 nan 8.270 nan 0.000 0.436 163 A N 2.210 125.110 122.820 0.134 0.000 2.466 163 A HA 0.289 4.545 4.320 -0.107 0.000 0.238 163 A C 0.721 178.348 177.584 0.070 0.000 1.074 163 A CA 0.184 52.254 52.037 0.055 0.000 0.774 163 A CB 0.180 19.226 19.000 0.076 0.000 1.015 163 A HN 0.798 nan 8.150 nan 0.000 0.498 164 G N -0.325 108.453 108.800 -0.038 0.000 2.544 164 G HA2 0.490 4.385 3.960 -0.107 0.000 0.242 164 G HA3 0.490 4.385 3.960 -0.107 0.000 0.242 164 G C -0.354 174.552 174.900 0.010 0.000 1.247 164 G CA 0.064 45.116 45.100 -0.079 0.000 0.840 164 G HN 1.155 nan 8.290 nan 0.000 0.578 165 F N -0.395 119.458 119.950 -0.162 0.000 2.626 165 F HA 0.544 5.006 4.527 -0.107 0.000 0.311 165 F C 0.866 176.562 175.800 -0.174 0.000 1.088 165 F CA -0.966 56.936 58.000 -0.162 0.000 0.949 165 F CB 0.824 39.733 39.000 -0.152 0.000 1.322 165 F HN 0.482 nan 8.300 nan 0.000 0.461 166 V N -1.054 118.808 119.914 -0.086 0.000 2.220 166 V HA -0.260 3.796 4.120 -0.107 0.000 0.246 166 V C 1.646 177.569 176.094 -0.285 0.000 1.049 166 V CA 2.177 64.365 62.300 -0.187 0.000 1.003 166 V CB -1.438 30.312 31.823 -0.121 0.000 0.634 166 V HN 1.020 nan 8.190 nan 0.000 0.444 167 c N 0.767 119.146 118.600 -0.368 0.000 2.518 167 c HA 0.279 4.785 4.570 -0.107 0.000 0.279 167 c C -0.709 173.154 174.090 -0.378 0.000 1.279 167 c CA 0.880 56.943 56.329 -0.444 0.000 1.703 167 c CB -1.649 40.383 42.510 -0.797 0.000 2.072 167 c HN 0.660 nan 8.230 nan 0.000 0.487 168 P HA 0.364 nan 4.420 nan 0.000 0.290 168 P C -0.367 176.649 177.300 -0.474 0.000 1.307 168 P CA 0.056 63.000 63.100 -0.260 0.000 0.948 168 P CB 1.748 33.410 31.700 -0.063 0.000 1.312 169 T N -0.222 114.069 114.554 -0.438 0.000 3.021 169 T HA 0.148 4.434 4.350 -0.107 0.000 0.245 169 T C -1.261 173.238 174.700 -0.334 0.000 1.028 169 T CA 1.305 63.013 62.100 -0.654 0.000 1.139 169 T CB -1.042 67.572 68.868 -0.423 0.000 0.884 169 T HN 0.441 nan 8.240 nan 0.000 0.457 170 P HA 0.205 nan 4.420 nan 0.000 0.210 170 P C -2.189 175.229 177.300 0.196 0.000 1.173 170 P CA 0.513 63.669 63.100 0.094 0.000 0.898 170 P CB -0.796 30.928 31.700 0.039 0.000 0.758 171 P HA 0.345 nan 4.420 nan 0.000 0.301 171 P C -1.709 175.734 177.300 0.238 0.000 1.385 171 P CA -0.486 62.703 63.100 0.149 0.000 0.902 171 P CB 0.884 32.632 31.700 0.080 0.000 0.965 172 Y N 2.166 122.496 120.300 0.050 0.000 2.390 172 Y HA 0.277 4.763 4.550 -0.107 0.000 0.324 172 Y C -0.418 175.453 175.900 -0.048 0.000 1.151 172 Y CA -0.365 57.750 58.100 0.025 0.000 1.053 172 Y CB 2.484 41.003 38.460 0.098 0.000 1.277 172 Y HN 0.454 nan 8.280 nan 0.000 0.432 173 Q N 1.668 121.287 119.800 -0.302 0.000 2.147 173 Q HA 0.374 4.650 4.340 -0.107 0.000 0.287 173 Q C -0.971 174.882 176.000 -0.246 0.000 0.863 173 Q CA -0.040 55.619 55.803 -0.240 0.000 1.073 173 Q CB 0.565 29.206 28.738 -0.163 0.000 1.298 173 Q HN 0.393 nan 8.270 nan 0.000 0.411 174 S N -0.403 115.100 115.700 -0.328 0.000 2.524 174 S HA 0.261 4.667 4.470 -0.107 0.000 0.222 174 S C -0.052 174.485 174.600 -0.105 0.000 1.040 174 S CA -0.115 57.964 58.200 -0.201 0.000 0.915 174 S CB 0.548 63.616 63.200 -0.220 0.000 0.831 174 S HN 0.391 nan 8.310 nan 0.000 0.492 175 L N 1.556 122.734 121.223 -0.075 0.000 2.319 175 L HA 0.817 5.092 4.340 -0.107 0.000 0.267 175 L C -0.313 176.569 176.870 0.020 0.000 1.011 175 L CA -0.772 54.080 54.840 0.021 0.000 0.818 175 L CB 1.171 43.286 42.059 0.093 0.000 1.316 175 L HN 0.105 nan 8.230 nan 0.000 0.432 176 A N 2.411 125.249 122.820 0.030 0.000 2.462 176 A HA 0.356 4.612 4.320 -0.107 0.000 0.243 176 A C 0.052 177.652 177.584 0.027 0.000 1.076 176 A CA -0.200 51.859 52.037 0.036 0.000 0.773 176 A CB -0.067 19.019 19.000 0.143 0.000 1.010 176 A HN 0.757 nan 8.150 nan 0.000 0.493 177 R N 1.486 121.923 120.500 -0.106 0.000 2.522 177 R HA 0.141 4.416 4.340 -0.107 0.000 0.284 177 R C -0.888 175.432 176.300 0.033 0.000 1.032 177 R CA 0.497 56.496 56.100 -0.169 0.000 1.049 177 R CB 0.306 30.273 30.300 -0.556 0.000 0.956 177 R HN 0.647 nan 8.270 nan 0.000 0.422 178 E N 4.174 124.401 120.200 0.044 0.000 2.185 178 E HA 0.126 4.411 4.350 -0.107 0.000 0.261 178 E C -0.826 175.801 176.600 0.044 0.000 0.879 178 E CA -0.928 55.503 56.400 0.051 0.000 0.756 178 E CB 1.801 31.520 29.700 0.030 0.000 1.152 178 E HN 0.554 nan 8.360 nan 0.000 0.416 179 Q N 1.127 120.914 119.800 -0.023 0.000 2.454 179 Q HA 0.307 4.583 4.340 -0.107 0.000 0.247 179 Q C 0.170 176.134 176.000 -0.060 0.000 1.028 179 Q CA 0.202 55.953 55.803 -0.087 0.000 0.910 179 Q CB 0.759 29.277 28.738 -0.366 0.000 1.276 179 Q HN 0.476 nan 8.270 nan 0.000 0.489 180 I N 1.534 122.053 120.570 -0.085 0.000 2.440 180 I HA 0.174 4.280 4.170 -0.107 0.000 0.294 180 I C 0.016 176.080 176.117 -0.088 0.000 0.995 180 I CA -0.679 60.564 61.300 -0.094 0.000 1.306 180 I CB 1.075 38.990 38.000 -0.142 0.000 1.407 180 I HN 0.489 nan 8.210 nan 0.000 0.501 181 N N 4.332 122.996 118.700 -0.060 0.000 2.457 181 N HA 0.338 5.014 4.740 -0.107 0.000 0.250 181 N C 0.278 175.769 175.510 -0.031 0.000 0.982 181 N CA -0.315 52.714 53.050 -0.035 0.000 0.941 181 N CB 1.728 40.205 38.487 -0.016 0.000 1.120 181 N HN 0.706 nan 8.380 nan 0.000 0.505 182 A N 2.686 125.482 122.820 -0.040 0.000 2.206 182 A HA 0.122 4.378 4.320 -0.107 0.000 0.211 182 A C 0.777 178.415 177.584 0.089 0.000 1.158 182 A CA 0.762 52.791 52.037 -0.013 0.000 0.761 182 A CB -0.270 18.677 19.000 -0.088 0.000 0.801 182 A HN 0.529 nan 8.150 nan 0.000 0.473 183 V N -3.235 116.749 119.914 0.116 0.000 3.158 183 V HA 0.741 4.796 4.120 -0.107 0.000 0.315 183 V C 0.078 176.231 176.094 0.099 0.000 1.148 183 V CA -0.256 62.122 62.300 0.129 0.000 1.042 183 V CB 1.045 32.960 31.823 0.154 0.000 1.101 183 V HN 0.351 nan 8.190 nan 0.000 0.448 184 T N -0.575 114.056 114.554 0.127 0.000 2.851 184 T HA 0.271 4.556 4.350 -0.107 0.000 0.298 184 T C 0.956 175.692 174.700 0.060 0.000 0.977 184 T CA 0.411 62.590 62.100 0.132 0.000 1.126 184 T CB 0.922 69.946 68.868 0.260 0.000 0.916 184 T HN 0.818 nan 8.240 nan 0.000 0.529 185 S N 1.965 117.584 115.700 -0.135 0.000 2.447 185 S HA 0.106 4.512 4.470 -0.107 0.000 0.233 185 S C 0.345 174.807 174.600 -0.230 0.000 1.006 185 S CA 0.285 58.340 58.200 -0.241 0.000 0.957 185 S CB -0.555 62.412 63.200 -0.387 0.000 0.773 185 S HN 0.714 nan 8.310 nan 0.000 0.507 186 F N 1.194 121.245 119.950 0.168 0.000 2.459 186 F HA 0.255 4.717 4.527 -0.108 0.000 0.346 186 F C 0.346 176.298 175.800 0.252 0.000 1.128 186 F CA -1.016 57.120 58.000 0.227 0.000 1.268 186 F CB 0.268 39.409 39.000 0.235 0.000 1.161 186 F HN -0.036 nan 8.300 nan 0.000 0.583 187 L N 4.312 125.843 121.223 0.513 0.000 2.404 187 L HA 0.177 4.453 4.340 -0.107 0.000 0.277 187 L C 0.095 177.209 176.870 0.406 0.000 1.184 187 L CA 0.023 55.141 54.840 0.464 0.000 1.013 187 L CB -1.066 41.359 42.059 0.609 0.000 1.318 187 L HN 0.669 nan 8.230 nan 0.000 0.435 188 D N 2.447 123.048 120.400 0.336 0.000 2.562 188 D HA 0.218 4.794 4.640 -0.107 0.000 0.246 188 D C 0.724 177.187 176.300 0.271 0.000 1.347 188 D CA 0.297 54.471 54.000 0.290 0.000 0.800 188 D CB -0.001 40.973 40.800 0.290 0.000 1.111 188 D HN 0.477 nan 8.370 nan 0.000 0.508 189 A N 0.783 123.757 122.820 0.256 0.000 2.860 189 A HA -0.249 4.007 4.320 -0.107 0.000 0.267 189 A C 1.725 179.457 177.584 0.248 0.000 1.421 189 A CA 1.218 53.395 52.037 0.233 0.000 0.831 189 A CB -2.679 16.515 19.000 0.323 0.000 1.041 189 A HN 0.818 nan 8.150 nan 0.000 0.623 190 S N -0.535 115.303 115.700 0.230 0.000 2.500 190 S HA -0.049 4.357 4.470 -0.107 0.000 0.239 190 S C 1.673 176.360 174.600 0.144 0.000 0.989 190 S CA 1.234 59.561 58.200 0.212 0.000 0.951 190 S CB -0.803 62.516 63.200 0.197 0.000 0.759 190 S HN 1.784 nan 8.310 nan 0.000 0.523 191 L N -0.972 120.314 121.223 0.105 0.000 2.395 191 L HA 0.228 4.504 4.340 -0.107 0.000 0.218 191 L C 1.874 178.804 176.870 0.100 0.000 1.130 191 L CA 0.539 55.449 54.840 0.115 0.000 0.826 191 L CB -0.363 41.754 42.059 0.098 0.000 0.941 191 L HN 0.161 nan 8.230 nan 0.000 0.451 192 V N -0.568 119.299 119.914 -0.078 0.000 2.500 192 V HA -0.100 3.956 4.120 -0.107 0.000 0.243 192 V C 1.795 177.622 176.094 -0.444 0.000 1.039 192 V CA 1.405 63.494 62.300 -0.352 0.000 1.053 192 V CB -0.537 30.881 31.823 -0.675 0.000 0.695 192 V HN 0.432 nan 8.190 nan 0.000 0.463 193 Y N 0.390 120.719 120.300 0.048 0.000 2.458 193 Y HA 0.547 5.028 4.550 -0.116 0.000 0.254 193 Y C 1.362 177.305 175.900 0.072 0.000 1.120 193 Y CA 0.454 58.587 58.100 0.055 0.000 1.282 193 Y CB 0.514 39.007 38.460 0.056 0.000 1.109 193 Y HN 0.337 nan 8.280 nan 0.000 0.526 194 G N 0.029 108.937 108.800 0.180 0.000 2.690 194 G HA2 -0.177 3.719 3.960 -0.107 0.000 0.686 194 G HA3 -0.177 3.719 3.960 -0.107 0.000 0.686 194 G C 0.152 175.147 174.900 0.159 0.000 1.277 194 G CA -0.195 44.992 45.100 0.145 0.000 0.799 194 G HN 0.054 nan 8.290 nan 0.000 0.613 195 S N 0.331 116.111 115.700 0.134 0.000 2.559 195 S HA 0.296 4.701 4.470 -0.107 0.000 0.226 195 S C 0.461 175.122 174.600 0.101 0.000 1.000 195 S CA 0.356 58.634 58.200 0.129 0.000 0.948 195 S CB 0.414 63.691 63.200 0.129 0.000 0.870 195 S HN 0.566 nan 8.310 nan 0.000 0.497 196 E N 1.769 122.023 120.200 0.090 0.000 2.248 196 E HA 0.360 4.646 4.350 -0.107 0.000 0.267 196 E C -2.727 173.907 176.600 0.057 0.000 0.877 196 E CA -2.366 54.072 56.400 0.064 0.000 0.759 196 E CB 1.730 31.463 29.700 0.054 0.000 1.182 196 E HN 0.009 nan 8.360 nan 0.000 0.418 200 A N -0.442 122.410 122.820 0.053 0.000 1.978 200 A HA -0.139 4.117 4.320 -0.107 0.000 0.220 200 A C 2.281 179.865 177.584 -0.000 0.000 1.170 200 A CA 2.474 54.553 52.037 0.071 0.000 0.636 200 A CB -0.752 18.301 19.000 0.089 0.000 0.810 200 A HN 0.536 nan 8.150 nan 0.000 0.448 201 S N -0.887 114.797 115.700 -0.027 0.000 2.377 201 S HA -0.123 4.282 4.470 -0.107 0.000 0.223 201 S C 2.176 176.745 174.600 -0.051 0.000 1.030 201 S CA 1.085 59.243 58.200 -0.070 0.000 0.970 201 S CB -0.366 62.800 63.200 -0.057 0.000 0.830 201 S HN 0.624 nan 8.310 nan 0.000 0.473 202 R N 0.384 120.871 120.500 -0.022 0.000 2.139 202 R HA -0.039 4.236 4.340 -0.107 0.000 0.243 202 R C 1.883 178.174 176.300 -0.016 0.000 1.145 202 R CA 1.499 57.591 56.100 -0.014 0.000 0.976 202 R CB -0.348 29.953 30.300 0.000 0.000 0.866 202 R HN 0.452 nan 8.270 nan 0.000 0.449 203 L N -0.049 121.168 121.223 -0.011 0.000 2.395 203 L HA 0.046 4.322 4.340 -0.107 0.000 0.218 203 L C 0.997 177.855 176.870 -0.020 0.000 1.130 203 L CA 0.457 55.292 54.840 -0.009 0.000 0.826 203 L CB -0.083 41.984 42.059 0.014 0.000 0.941 203 L HN 0.066 nan 8.230 nan 0.000 0.451 204 R N 0.352 120.824 120.500 -0.048 0.000 2.549 204 R HA 0.171 4.447 4.340 -0.107 0.000 0.267 204 R C 0.086 176.356 176.300 -0.049 0.000 1.045 204 R CA -0.572 55.483 56.100 -0.075 0.000 1.115 204 R CB 0.497 30.660 30.300 -0.227 0.000 1.121 204 R HN -0.138 nan 8.270 nan 0.000 0.543 205 N N 2.428 121.113 118.700 -0.024 0.000 2.678 205 N HA 0.099 4.774 4.740 -0.107 0.000 0.231 205 N C 0.108 175.609 175.510 -0.015 0.000 1.038 205 N CA -0.042 53.005 53.050 -0.005 0.000 0.932 205 N CB 0.563 39.067 38.487 0.028 0.000 1.176 205 N HN 0.549 nan 8.380 nan 0.000 0.511 206 L N 1.207 122.411 121.223 -0.031 0.000 2.558 206 L HA 0.065 4.340 4.340 -0.107 0.000 0.225 206 L C 1.671 178.534 176.870 -0.012 0.000 1.128 206 L CA 0.152 54.971 54.840 -0.035 0.000 0.868 206 L CB -0.015 42.015 42.059 -0.049 0.000 1.006 206 L HN 0.357 nan 8.230 nan 0.000 0.454 207 S N -0.244 115.456 115.700 -0.000 0.000 2.402 207 S HA -0.061 4.345 4.470 -0.107 0.000 0.229 207 S C 1.055 175.663 174.600 0.014 0.000 1.021 207 S CA 0.842 59.047 58.200 0.009 0.000 0.974 207 S CB -0.070 63.139 63.200 0.016 0.000 0.800 207 S HN 0.571 nan 8.310 nan 0.000 0.484 208 S N 1.152 116.864 115.700 0.019 0.000 2.607 208 S HA 0.510 4.916 4.470 -0.107 0.000 0.303 208 S C -2.902 171.714 174.600 0.026 0.000 1.086 208 S CA -1.583 56.631 58.200 0.025 0.000 0.995 208 S CB 1.685 64.904 63.200 0.032 0.000 1.084 208 S HN 0.021 nan 8.310 nan 0.000 0.507 209 P HA 0.333 nan 4.420 nan 0.000 0.236 209 P C -0.104 177.226 177.300 0.050 0.000 1.709 209 P CA -0.144 62.977 63.100 0.035 0.000 0.942 209 P CB -0.376 31.346 31.700 0.037 0.000 1.615 210 L N -1.641 119.615 121.223 0.055 0.000 2.858 210 L HA 0.360 4.636 4.340 -0.107 0.000 0.251 210 L C 1.415 178.342 176.870 0.094 0.000 1.149 210 L CA 0.267 55.147 54.840 0.066 0.000 0.955 210 L CB -0.285 41.807 42.059 0.055 0.000 1.289 210 L HN 0.128 nan 8.230 nan 0.000 0.542 211 G N 1.426 110.292 108.800 0.111 0.000 2.203 211 G HA2 -0.284 3.611 3.960 -0.107 0.000 0.263 211 G HA3 -0.284 3.611 3.960 -0.107 0.000 0.263 211 G C 0.194 175.294 174.900 0.333 0.000 1.012 211 G CA 0.260 45.483 45.100 0.204 0.000 0.749 211 G HN 0.258 nan 8.290 nan 0.000 0.512 212 L N -0.277 121.082 121.223 0.226 0.000 2.456 212 L HA 0.600 4.876 4.340 -0.107 0.000 0.257 212 L C 1.178 178.178 176.870 0.218 0.000 1.162 212 L CA -0.975 54.022 54.840 0.262 0.000 0.808 212 L CB 0.581 42.728 42.059 0.146 0.000 1.136 212 L HN 0.029 nan 8.230 nan 0.000 0.466 213 M N 1.273 120.980 119.600 0.178 0.000 2.277 213 M HA 0.321 4.737 4.480 -0.107 0.000 0.350 213 M C 0.162 176.475 176.300 0.021 0.000 1.180 213 M CA -0.555 54.769 55.300 0.039 0.000 1.103 213 M CB 1.341 33.902 32.600 -0.066 0.000 1.577 213 M HN 0.691 nan 8.290 nan 0.000 0.459 214 A N 3.094 125.909 122.820 -0.008 0.000 2.531 214 A HA 0.418 4.674 4.320 -0.107 0.000 0.236 214 A C 0.064 177.611 177.584 -0.063 0.000 1.062 214 A CA -0.358 51.665 52.037 -0.022 0.000 0.760 214 A CB -0.070 18.914 19.000 -0.027 0.000 0.995 214 A HN 0.810 nan 8.150 nan 0.000 0.501 215 V N 1.164 121.028 119.914 -0.084 0.000 3.074 215 V HA 0.534 4.590 4.120 -0.107 0.000 0.314 215 V C 0.242 176.169 176.094 -0.278 0.000 1.117 215 V CA -1.381 60.801 62.300 -0.197 0.000 1.014 215 V CB 1.727 33.416 31.823 -0.223 0.000 1.057 215 V HN 0.909 nan 8.190 nan 0.000 0.438 216 N N 1.856 120.293 118.700 -0.439 0.000 2.458 216 N HA 0.078 4.753 4.740 -0.107 0.000 0.258 216 N C 0.258 175.494 175.510 -0.456 0.000 1.219 216 N CA 0.097 52.867 53.050 -0.467 0.000 0.902 216 N CB 1.285 39.432 38.487 -0.568 0.000 1.076 216 N HN 0.777 nan 8.380 nan 0.000 0.455 217 Q N 1.976 121.657 119.800 -0.199 0.000 2.282 217 Q HA 0.124 4.400 4.340 -0.107 0.000 0.206 217 Q C 0.249 176.310 176.000 0.101 0.000 0.878 217 Q CA 0.421 56.237 55.803 0.022 0.000 0.944 217 Q CB 0.574 29.357 28.738 0.076 0.000 1.100 217 Q HN 0.707 nan 8.270 nan 0.000 0.509 218 E N -0.468 119.732 120.200 0.000 0.000 2.434 218 E HA 0.332 4.618 4.350 -0.107 0.000 0.207 218 E C -0.091 176.599 176.600 0.150 0.000 0.929 218 E CA 0.066 56.542 56.400 0.128 0.000 1.001 218 E CB 1.171 30.998 29.700 0.213 0.000 1.016 218 E HN 0.073 nan 8.360 nan 0.000 0.502 219 A N 0.597 123.408 122.820 -0.015 0.000 2.549 219 A HA 0.606 4.862 4.320 -0.107 0.000 0.297 219 A C -2.147 175.351 177.584 -0.142 0.000 1.061 219 A CA -0.639 51.469 52.037 0.118 0.000 0.690 219 A CB 0.913 20.044 19.000 0.219 0.000 1.287 219 A HN 0.131 nan 8.150 nan 0.000 0.402 220 W N 0.187 121.590 121.300 0.173 0.000 2.950 220 W HA 0.553 5.147 4.660 -0.111 0.000 0.340 220 W C -0.795 175.626 176.519 -0.163 0.000 1.139 220 W CA -0.112 57.186 57.345 -0.077 0.000 1.188 220 W CB 1.855 31.286 29.460 -0.049 0.000 1.426 220 W HN 0.634 nan 8.180 nan 0.000 0.531 221 D N 1.202 121.434 120.400 -0.281 0.000 2.493 221 D HA 0.095 4.671 4.640 -0.107 0.000 0.235 221 D C 0.270 176.602 176.300 0.053 0.000 1.117 221 D CA -0.054 53.803 54.000 -0.237 0.000 0.930 221 D CB -0.459 39.936 40.800 -0.676 0.000 1.010 221 D HN 0.610 nan 8.370 nan 0.000 0.514 222 H N 2.542 121.649 119.070 0.063 0.000 2.626 222 H HA -0.270 4.222 4.556 -0.107 0.000 0.317 222 H C 1.099 176.496 175.328 0.115 0.000 1.140 222 H CA 0.725 56.840 56.048 0.111 0.000 1.134 222 H CB -0.825 29.039 29.762 0.169 0.000 1.486 222 H HN 0.780 nan 8.280 nan 0.000 0.417 223 G N -0.151 108.724 108.800 0.126 0.000 2.205 223 G HA2 -0.306 3.589 3.960 -0.107 0.000 0.261 223 G HA3 -0.306 3.589 3.960 -0.107 0.000 0.261 223 G C 0.344 175.298 174.900 0.089 0.000 0.980 223 G CA 0.381 45.476 45.100 -0.008 0.000 0.632 223 G HN 0.445 nan 8.290 nan 0.000 0.533 224 L N 0.739 122.005 121.223 0.071 0.000 2.379 224 L HA 0.739 5.014 4.340 -0.107 0.000 0.269 224 L C 1.072 177.923 176.870 -0.033 0.000 1.084 224 L CA -0.488 54.340 54.840 -0.020 0.000 0.802 224 L CB 1.469 43.381 42.059 -0.245 0.000 1.175 224 L HN 0.284 nan 8.230 nan 0.000 0.448 225 A N 2.085 124.846 122.820 -0.099 0.000 2.351 225 A HA 0.483 4.739 4.320 -0.107 0.000 0.257 225 A C -1.045 176.212 177.584 -0.544 0.000 1.087 225 A CA -0.006 51.807 52.037 -0.374 0.000 0.798 225 A CB 0.223 19.093 19.000 -0.216 0.000 1.033 225 A HN 0.600 nan 8.150 nan 0.000 0.488 226 Y N -0.076 119.921 120.300 -0.505 0.000 2.528 226 Y HA 0.471 4.957 4.550 -0.107 0.000 0.335 226 Y C 0.356 175.942 175.900 -0.522 0.000 1.093 226 Y CA -0.950 56.848 58.100 -0.502 0.000 1.134 226 Y CB 1.469 39.658 38.460 -0.452 0.000 1.253 226 Y HN 0.550 nan 8.280 nan 0.000 0.478 227 L N 3.466 124.425 121.223 -0.440 0.000 2.482 227 L HA 0.100 4.376 4.340 -0.107 0.000 0.273 227 L C -2.233 174.515 176.870 -0.204 0.000 1.228 227 L CA -1.546 53.086 54.840 -0.347 0.000 0.827 227 L CB -0.193 41.605 42.059 -0.435 0.000 1.099 227 L HN 0.317 nan 8.230 nan 0.000 0.494 228 P HA 0.029 nan 4.420 nan 0.000 0.270 228 P C -0.730 176.582 177.300 0.020 0.000 1.223 228 P CA -0.159 62.867 63.100 -0.123 0.000 0.785 228 P CB 0.337 32.003 31.700 -0.057 0.000 0.923 229 F N 0.558 120.550 119.950 0.070 0.000 2.410 229 F HA 0.184 4.648 4.527 -0.105 0.000 0.334 229 F C 1.439 177.225 175.800 -0.024 0.000 1.134 229 F CA -0.060 57.937 58.000 -0.006 0.000 1.227 229 F CB -0.254 38.706 39.000 -0.066 0.000 1.194 229 F HN 0.202 nan 8.300 nan 0.000 0.571 230 N N 2.073 120.877 118.700 0.174 0.000 2.469 230 N HA 0.084 4.760 4.740 -0.107 0.000 0.239 230 N C -1.109 174.413 175.510 0.020 0.000 1.053 230 N CA -0.231 52.852 53.050 0.055 0.000 0.937 230 N CB -0.474 38.004 38.487 -0.016 0.000 1.163 230 N HN 0.499 nan 8.380 nan 0.000 0.509 231 N N 2.404 121.124 118.700 0.033 0.000 3.124 231 N HA 0.059 4.735 4.740 -0.107 0.000 0.284 231 N C -0.833 174.669 175.510 -0.014 0.000 1.209 231 N CA -0.259 52.793 53.050 0.003 0.000 1.149 231 N CB 0.323 38.826 38.487 0.027 0.000 1.434 231 N HN 0.381 nan 8.380 nan 0.000 0.529 232 K N 1.275 121.656 120.400 -0.033 0.000 2.501 232 K HA 0.423 4.679 4.320 -0.107 0.000 0.252 232 K C -1.644 174.928 176.600 -0.048 0.000 0.934 232 K CA -0.632 55.635 56.287 -0.033 0.000 0.797 232 K CB 1.233 33.717 32.500 -0.028 0.000 1.270 232 K HN -0.045 nan 8.250 nan 0.000 0.431 233 K N 3.554 123.929 120.400 -0.042 0.000 2.443 233 K HA 0.511 4.767 4.320 -0.107 0.000 0.252 233 K C -2.408 174.164 176.600 -0.046 0.000 0.933 233 K CA -1.786 54.474 56.287 -0.045 0.000 0.792 233 K CB 1.674 34.150 32.500 -0.039 0.000 1.185 233 K HN 0.580 nan 8.250 nan 0.000 0.425 234 P HA 0.198 nan 4.420 nan 0.000 0.282 234 P C -0.998 176.263 177.300 -0.066 0.000 1.249 234 P CA -0.633 62.438 63.100 -0.049 0.000 0.806 234 P CB 1.705 33.372 31.700 -0.056 0.000 0.984 235 S N 2.279 117.950 115.700 -0.049 0.000 2.433 235 S HA 0.393 4.799 4.470 -0.107 0.000 0.310 235 S C -1.454 173.127 174.600 -0.032 0.000 1.097 235 S CA -1.785 56.374 58.200 -0.067 0.000 1.103 235 S CB 0.835 63.984 63.200 -0.085 0.000 0.992 235 S HN 0.301 nan 8.310 nan 0.000 0.469 236 P HA 0.024 nan 4.420 nan 0.000 0.221 236 P C 1.190 178.489 177.300 -0.001 0.000 1.150 236 P CA 0.787 63.847 63.100 -0.067 0.000 0.800 236 P CB -0.164 31.328 31.700 -0.348 0.000 0.787 237 c N 0.095 118.701 118.600 0.009 0.000 2.432 237 c HA 0.005 4.511 4.570 -0.107 0.000 0.280 237 c C 2.669 176.758 174.090 -0.001 0.000 1.353 237 c CA 0.572 56.917 56.329 0.027 0.000 1.766 237 c CB -1.497 40.989 42.510 -0.040 0.000 1.924 237 c HN 0.331 nan 8.230 nan 0.000 0.509 238 E N -0.107 120.073 120.200 -0.032 0.000 2.076 238 E HA -0.120 4.166 4.350 -0.107 0.000 0.190 238 E C 1.792 178.388 176.600 -0.007 0.000 0.979 238 E CA 0.765 57.132 56.400 -0.055 0.000 0.807 238 E CB -0.237 29.418 29.700 -0.075 0.000 0.761 238 E HN 0.688 nan 8.360 nan 0.000 0.454 239 F N 2.113 122.016 119.950 -0.079 0.000 2.091 239 F HA -0.224 4.238 4.527 -0.107 0.000 0.299 239 F C 2.080 177.849 175.800 -0.051 0.000 1.103 239 F CA 1.677 59.651 58.000 -0.044 0.000 1.228 239 F CB -0.167 38.842 39.000 0.015 0.000 0.984 239 F HN 0.006 nan 8.300 nan 0.000 0.477 240 I N -1.397 119.191 120.570 0.030 0.000 3.083 240 I HA -0.043 4.062 4.170 -0.107 0.000 0.273 240 I C 0.125 176.206 176.117 -0.059 0.000 1.297 240 I CA 1.070 62.355 61.300 -0.025 0.000 1.452 240 I CB -0.711 37.286 38.000 -0.005 0.000 1.078 240 I HN 0.224 nan 8.210 nan 0.000 0.484 241 N N 0.502 119.122 118.700 -0.133 0.000 2.969 241 N HA 0.037 4.713 4.740 -0.107 0.000 0.230 241 N C 0.590 175.935 175.510 -0.275 0.000 1.397 241 N CA 0.548 53.441 53.050 -0.261 0.000 0.762 241 N CB 0.686 38.889 38.487 -0.473 0.000 1.495 241 N HN 0.258 nan 8.380 nan 0.000 0.583 242 T N -2.017 112.384 114.554 -0.255 0.000 3.113 242 T HA -0.017 4.269 4.350 -0.107 0.000 0.263 242 T C 1.378 175.956 174.700 -0.203 0.000 1.143 242 T CA 1.178 63.152 62.100 -0.210 0.000 1.090 242 T CB 0.054 68.803 68.868 -0.198 0.000 0.922 242 T HN 0.202 nan 8.240 nan 0.000 0.521 243 T N 1.743 116.148 114.554 -0.248 0.000 2.852 243 T HA 0.276 4.562 4.350 -0.107 0.000 0.256 243 T C 2.453 177.004 174.700 -0.249 0.000 1.038 243 T CA 0.939 62.900 62.100 -0.233 0.000 1.141 243 T CB -0.581 68.134 68.868 -0.254 0.000 0.869 243 T HN 0.562 nan 8.240 nan 0.000 0.439 244 A N 0.797 123.406 122.820 -0.352 0.000 1.968 244 A HA 0.137 4.393 4.320 -0.107 0.000 0.217 244 A C 1.362 178.817 177.584 -0.214 0.000 1.169 244 A CA 1.078 52.923 52.037 -0.320 0.000 0.638 244 A CB -0.488 18.195 19.000 -0.530 0.000 0.812 244 A HN 0.501 nan 8.150 nan 0.000 0.446 245 R N -1.167 119.203 120.500 -0.216 0.000 3.251 245 R HA -0.143 4.133 4.340 -0.107 0.000 0.249 245 R C -1.333 174.828 176.300 -0.233 0.000 0.949 245 R CA 0.465 56.451 56.100 -0.189 0.000 0.645 245 R CB -1.941 28.262 30.300 -0.161 0.000 1.065 245 R HN 0.227 nan 8.270 nan 0.000 0.452 246 V N 2.016 121.796 119.914 -0.223 0.000 2.394 246 V HA 0.411 4.467 4.120 -0.107 0.000 0.282 246 V C -1.796 174.046 176.094 -0.420 0.000 1.031 246 V CA -1.668 60.419 62.300 -0.356 0.000 0.881 246 V CB 1.814 33.545 31.823 -0.153 0.000 0.982 246 V HN 0.213 nan 8.190 nan 0.000 0.451 247 P HA 0.333 nan 4.420 nan 0.000 0.278 247 P C -0.309 176.739 177.300 -0.420 0.000 1.266 247 P CA -0.558 62.246 63.100 -0.493 0.000 0.807 247 P CB 0.564 31.945 31.700 -0.533 0.000 1.094 248 c N 0.415 118.865 118.600 -0.250 0.000 2.705 248 c HA 0.218 4.724 4.570 -0.107 0.000 0.382 248 c C 0.852 174.826 174.090 -0.194 0.000 1.322 248 c CA 0.037 56.232 56.329 -0.223 0.000 2.290 248 c CB -1.182 41.266 42.510 -0.103 0.000 2.650 248 c HN 0.417 nan 8.230 nan 0.000 0.695 249 F N 0.549 120.517 119.950 0.029 0.000 2.375 249 F HA 0.485 4.951 4.527 -0.103 0.000 0.313 249 F C 0.291 176.046 175.800 -0.076 0.000 1.176 249 F CA -0.669 57.330 58.000 -0.003 0.000 1.142 249 F CB 0.391 39.342 39.000 -0.081 0.000 1.275 249 F HN 0.256 nan 8.300 nan 0.000 0.544 250 L N 1.735 123.043 121.223 0.141 0.000 2.319 250 L HA 0.770 5.046 4.340 -0.107 0.000 0.281 250 L C -0.613 176.235 176.870 -0.037 0.000 1.005 250 L CA -0.153 54.696 54.840 0.016 0.000 0.828 250 L CB 0.469 42.542 42.059 0.022 0.000 1.227 250 L HN 0.664 nan 8.230 nan 0.000 0.415 251 A N 3.079 125.838 122.820 -0.102 0.000 2.443 251 A HA 0.690 4.946 4.320 -0.107 0.000 0.278 251 A C 0.973 178.511 177.584 -0.076 0.000 1.252 251 A CA -0.137 51.818 52.037 -0.138 0.000 0.816 251 A CB 0.585 19.382 19.000 -0.338 0.000 1.369 251 A HN 0.844 nan 8.150 nan 0.000 0.446 252 G N -0.997 107.779 108.800 -0.040 0.000 2.479 252 G HA2 0.073 3.969 3.960 -0.107 0.000 0.220 252 G HA3 0.073 3.969 3.960 -0.107 0.000 0.220 252 G C 0.167 175.093 174.900 0.043 0.000 1.115 252 G CA 1.588 46.701 45.100 0.022 0.000 0.757 252 G HN 0.787 nan 8.290 nan 0.000 0.560 253 D N -2.643 117.756 120.400 -0.002 0.000 2.498 253 D HA 0.395 4.970 4.640 -0.107 0.000 0.247 253 D C 0.590 176.844 176.300 -0.078 0.000 1.070 253 D CA -0.949 53.040 54.000 -0.018 0.000 0.842 253 D CB 1.268 42.077 40.800 0.015 0.000 1.361 253 D HN -0.127 nan 8.370 nan 0.000 0.484 254 F N 2.662 122.484 119.950 -0.213 0.000 2.192 254 F HA -0.072 4.391 4.527 -0.108 0.000 0.301 254 F C 1.616 177.297 175.800 -0.199 0.000 1.079 254 F CA 1.434 59.332 58.000 -0.171 0.000 1.303 254 F CB 0.287 39.222 39.000 -0.110 0.000 1.024 254 F HN 0.367 nan 8.300 nan 0.000 0.494 255 R N -0.457 119.922 120.500 -0.201 0.000 2.334 255 R HA 0.262 4.538 4.340 -0.107 0.000 0.216 255 R C 2.086 178.313 176.300 -0.123 0.000 0.905 255 R CA 0.421 56.419 56.100 -0.169 0.000 1.064 255 R CB -0.222 29.860 30.300 -0.364 0.000 1.046 255 R HN 0.257 nan 8.270 nan 0.000 0.508 256 A N 0.703 123.392 122.820 -0.217 0.000 2.032 256 A HA -0.146 4.110 4.320 -0.107 0.000 0.221 256 A C 1.639 179.155 177.584 -0.114 0.000 1.165 256 A CA 1.605 53.456 52.037 -0.311 0.000 0.645 256 A CB -0.077 18.407 19.000 -0.861 0.000 0.807 256 A HN 0.177 nan 8.150 nan 0.000 0.453 257 S N -0.624 115.019 115.700 -0.095 0.000 2.583 257 S HA 0.085 4.491 4.470 -0.107 0.000 0.239 257 S C 1.305 175.734 174.600 -0.284 0.000 0.966 257 S CA -0.023 58.144 58.200 -0.055 0.000 0.973 257 S CB 0.214 63.428 63.200 0.023 0.000 0.794 257 S HN 0.640 nan 8.310 nan 0.000 0.463 258 E N 1.989 121.904 120.200 -0.475 0.000 2.204 258 E HA -0.123 4.162 4.350 -0.107 0.000 0.194 258 E C 0.289 176.517 176.600 -0.619 0.000 0.989 258 E CA 0.994 56.801 56.400 -0.988 0.000 0.824 258 E CB 0.270 29.724 29.700 -0.410 0.000 0.756 258 E HN 0.726 nan 8.360 nan 0.000 0.477 259 Q N -1.744 117.903 119.800 -0.256 0.000 2.527 259 Q HA 0.261 4.537 4.340 -0.107 0.000 0.280 259 Q C 0.405 176.368 176.000 -0.061 0.000 0.977 259 Q CA -0.411 55.345 55.803 -0.078 0.000 0.837 259 Q CB 0.280 29.066 28.738 0.080 0.000 1.454 259 Q HN -0.039 nan 8.270 nan 0.000 0.387 260 I N 0.707 121.236 120.570 -0.068 0.000 2.335 260 I HA -0.207 3.899 4.170 -0.107 0.000 0.251 260 I C 0.992 177.092 176.117 -0.029 0.000 1.129 260 I CA 1.389 62.651 61.300 -0.063 0.000 1.402 260 I CB 0.137 38.061 38.000 -0.126 0.000 1.069 260 I HN 0.770 nan 8.210 nan 0.000 0.424 261 L N -0.486 120.723 121.223 -0.023 0.000 2.240 261 L HA -0.140 4.136 4.340 -0.107 0.000 0.211 261 L C 2.325 179.205 176.870 0.017 0.000 1.106 261 L CA 0.303 55.143 54.840 0.000 0.000 0.793 261 L CB -0.496 41.567 42.059 0.007 0.000 0.927 261 L HN 0.319 nan 8.230 nan 0.000 0.446 262 L N 0.593 121.821 121.223 0.009 0.000 2.072 262 L HA -0.050 4.226 4.340 -0.107 0.000 0.205 262 L C 2.662 179.608 176.870 0.127 0.000 1.079 262 L CA 1.925 56.785 54.840 0.034 0.000 0.752 262 L CB -0.695 41.372 42.059 0.013 0.000 0.906 262 L HN 0.108 nan 8.230 nan 0.000 0.436 263 A N -1.337 121.536 122.820 0.088 0.000 1.908 263 A HA -0.218 4.037 4.320 -0.107 0.000 0.218 263 A C 2.260 179.868 177.584 0.039 0.000 1.181 263 A CA 2.383 54.477 52.037 0.095 0.000 0.627 263 A CB -1.271 17.820 19.000 0.152 0.000 0.818 263 A HN 0.525 nan 8.150 nan 0.000 0.445 264 T N 0.235 114.807 114.554 0.031 0.000 2.708 264 T HA -0.029 4.257 4.350 -0.107 0.000 0.266 264 T C 2.241 176.965 174.700 0.040 0.000 1.037 264 T CA 1.664 63.773 62.100 0.016 0.000 1.146 264 T CB -0.481 68.400 68.868 0.022 0.000 0.865 264 T HN 0.615 nan 8.240 nan 0.000 0.435 265 A N 1.293 124.156 122.820 0.072 0.000 1.902 265 A HA -0.198 4.058 4.320 -0.107 0.000 0.217 265 A C 2.123 179.710 177.584 0.005 0.000 1.181 265 A CA 1.447 53.540 52.037 0.093 0.000 0.623 265 A CB -0.876 18.177 19.000 0.088 0.000 0.818 265 A HN 0.552 nan 8.150 nan 0.000 0.443 266 H N -0.357 118.690 119.070 -0.040 0.000 2.387 266 H HA -0.097 4.397 4.556 -0.104 0.000 0.299 266 H C 2.294 177.538 175.328 -0.140 0.000 1.099 266 H CA 1.983 57.975 56.048 -0.092 0.000 1.315 266 H CB -0.323 29.373 29.762 -0.111 0.000 1.380 266 H HN 0.488 nan 8.280 nan 0.000 0.513 267 T N 1.540 116.071 114.554 -0.038 0.000 2.708 267 T HA -0.106 4.180 4.350 -0.107 0.000 0.266 267 T C 2.473 177.106 174.700 -0.112 0.000 1.037 267 T CA 0.842 62.864 62.100 -0.131 0.000 1.146 267 T CB -0.418 68.363 68.868 -0.145 0.000 0.865 267 T HN 0.185 nan 8.240 nan 0.000 0.435 268 L N 0.512 121.686 121.223 -0.082 0.000 2.021 268 L HA -0.160 4.115 4.340 -0.107 0.000 0.215 268 L C 2.536 179.319 176.870 -0.146 0.000 1.074 268 L CA 1.441 56.211 54.840 -0.115 0.000 0.760 268 L CB -0.774 41.228 42.059 -0.095 0.000 0.889 268 L HN 0.262 nan 8.230 nan 0.000 0.433 269 L N -0.986 120.171 121.223 -0.111 0.000 2.093 269 L HA -0.221 4.055 4.340 -0.107 0.000 0.208 269 L C 2.555 179.352 176.870 -0.122 0.000 1.085 269 L CA 0.770 55.538 54.840 -0.120 0.000 0.755 269 L CB -0.425 41.576 42.059 -0.097 0.000 0.904 269 L HN 0.241 nan 8.230 nan 0.000 0.435 270 L N -0.079 121.072 121.223 -0.119 0.000 2.017 270 L HA -0.185 4.091 4.340 -0.107 0.000 0.208 270 L C 2.802 179.634 176.870 -0.064 0.000 1.073 270 L CA 1.608 56.383 54.840 -0.109 0.000 0.745 270 L CB -0.340 41.640 42.059 -0.132 0.000 0.894 270 L HN 0.066 nan 8.230 nan 0.000 0.432 271 R N -0.626 119.812 120.500 -0.104 0.000 2.091 271 R HA -0.231 4.045 4.340 -0.107 0.000 0.238 271 R C 2.222 178.460 176.300 -0.103 0.000 1.136 271 R CA 1.528 57.566 56.100 -0.103 0.000 0.959 271 R CB -0.419 29.798 30.300 -0.139 0.000 0.856 271 R HN 0.379 nan 8.270 nan 0.000 0.437 272 E N 0.229 120.345 120.200 -0.141 0.000 2.077 272 E HA -0.226 4.059 4.350 -0.107 0.000 0.193 272 E C 1.734 178.261 176.600 -0.121 0.000 0.989 272 E CA 1.742 58.028 56.400 -0.190 0.000 0.800 272 E CB -0.220 29.298 29.700 -0.303 0.000 0.746 272 E HN 0.448 nan 8.360 nan 0.000 0.452 273 H N -0.189 118.811 119.070 -0.117 0.000 2.290 273 H HA -0.083 4.412 4.556 -0.102 0.000 0.298 273 H C 1.684 176.991 175.328 -0.034 0.000 1.087 273 H CA 2.352 58.376 56.048 -0.039 0.000 1.291 273 H CB -0.119 29.666 29.762 0.037 0.000 1.369 273 H HN 0.129 nan 8.280 nan 0.000 0.492 274 N N 0.162 118.913 118.700 0.085 0.000 2.188 274 N HA -0.119 4.556 4.740 -0.107 0.000 0.184 274 N C 2.022 177.494 175.510 -0.063 0.000 1.018 274 N CA 0.956 54.034 53.050 0.048 0.000 0.858 274 N CB -0.378 38.160 38.487 0.085 0.000 0.989 274 N HN 0.388 nan 8.380 nan 0.000 0.426 275 R N 0.814 121.259 120.500 -0.092 0.000 2.083 275 R HA -0.043 4.233 4.340 -0.107 0.000 0.237 275 R C 2.059 178.265 176.300 -0.157 0.000 1.137 275 R CA 1.059 57.087 56.100 -0.119 0.000 0.951 275 R CB -0.353 29.863 30.300 -0.141 0.000 0.851 275 R HN 0.184 nan 8.270 nan 0.000 0.434 276 L N 0.107 121.204 121.223 -0.211 0.000 2.046 276 L HA -0.148 4.128 4.340 -0.107 0.000 0.208 276 L C 2.729 179.462 176.870 -0.229 0.000 1.077 276 L CA 1.305 55.993 54.840 -0.253 0.000 0.747 276 L CB -0.518 41.360 42.059 -0.303 0.000 0.896 276 L HN 0.336 nan 8.230 nan 0.000 0.432 277 A N 0.025 122.692 122.820 -0.256 0.000 1.902 277 A HA -0.206 4.049 4.320 -0.107 0.000 0.217 277 A C 2.385 179.922 177.584 -0.078 0.000 1.181 277 A CA 1.458 53.390 52.037 -0.175 0.000 0.623 277 A CB -0.464 18.436 19.000 -0.166 0.000 0.818 277 A HN 0.307 nan 8.150 nan 0.000 0.443 278 R N -0.431 120.023 120.500 -0.076 0.000 2.073 278 R HA -0.133 4.143 4.340 -0.107 0.000 0.234 278 R C 2.162 178.421 176.300 -0.067 0.000 1.134 278 R CA 1.547 57.615 56.100 -0.054 0.000 0.952 278 R CB -0.369 29.902 30.300 -0.048 0.000 0.850 278 R HN 0.661 nan 8.270 nan 0.000 0.433 279 E N 0.655 120.797 120.200 -0.096 0.000 2.085 279 E HA -0.189 4.097 4.350 -0.107 0.000 0.194 279 E C 2.092 178.630 176.600 -0.103 0.000 0.994 279 E CA 1.088 57.425 56.400 -0.105 0.000 0.801 279 E CB -0.090 29.526 29.700 -0.140 0.000 0.743 279 E HN 0.318 nan 8.360 nan 0.000 0.453 280 L N 0.718 121.884 121.223 -0.095 0.000 2.141 280 L HA -0.163 4.113 4.340 -0.107 0.000 0.209 280 L C 2.500 179.313 176.870 -0.096 0.000 1.094 280 L CA 0.851 55.648 54.840 -0.071 0.000 0.763 280 L CB -0.294 41.818 42.059 0.088 0.000 0.908 280 L HN 0.005 nan 8.230 nan 0.000 0.437 281 K N 0.988 121.365 120.400 -0.039 0.000 2.057 281 K HA -0.157 4.099 4.320 -0.107 0.000 0.207 281 K C 1.962 178.520 176.600 -0.070 0.000 1.049 281 K CA 1.516 57.783 56.287 -0.033 0.000 0.931 281 K CB -0.048 32.453 32.500 0.002 0.000 0.714 281 K HN 0.112 nan 8.250 nan 0.000 0.440 282 K N 0.049 120.408 120.400 -0.069 0.000 2.097 282 K HA -0.097 4.159 4.320 -0.107 0.000 0.206 282 K C 2.079 178.626 176.600 -0.089 0.000 1.049 282 K CA 1.587 57.834 56.287 -0.066 0.000 0.933 282 K CB -0.174 32.291 32.500 -0.058 0.000 0.717 282 K HN 0.150 nan 8.250 nan 0.000 0.442 283 L N 0.649 121.793 121.223 -0.132 0.000 2.095 283 L HA -0.072 4.204 4.340 -0.107 0.000 0.204 283 L C 0.315 177.046 176.870 -0.232 0.000 1.080 283 L CA 0.659 55.405 54.840 -0.156 0.000 0.759 283 L CB -0.009 41.959 42.059 -0.152 0.000 0.914 283 L HN 0.121 nan 8.230 nan 0.000 0.439 284 N N -0.461 118.000 118.700 -0.399 0.000 2.851 284 N HA 0.201 4.876 4.740 -0.107 0.000 0.248 284 N C -2.151 173.131 175.510 -0.380 0.000 1.221 284 N CA -1.104 51.569 53.050 -0.628 0.000 0.847 284 N CB 1.282 38.698 38.487 -1.785 0.000 1.150 284 N HN -0.105 nan 8.380 nan 0.000 0.507 285 P HA -0.092 nan 4.420 nan 0.000 0.223 285 P C 1.195 178.547 177.300 0.087 0.000 1.151 285 P CA 1.025 64.137 63.100 0.020 0.000 0.787 285 P CB 0.082 31.816 31.700 0.057 0.000 0.788 286 H N -3.809 115.275 119.070 0.023 0.000 2.547 286 H HA -0.008 4.485 4.556 -0.106 0.000 0.272 286 H C 0.034 175.523 175.328 0.268 0.000 0.989 286 H CA -0.024 56.092 56.048 0.113 0.000 1.214 286 H CB -0.832 28.992 29.762 0.103 0.000 1.389 286 H HN 0.090 nan 8.280 nan 0.000 0.577 287 W N 4.512 125.630 121.300 -0.303 0.000 2.266 287 W HA 0.102 4.690 4.660 -0.120 0.000 0.317 287 W C 0.546 177.028 176.519 -0.061 0.000 1.310 287 W CA -0.957 56.271 57.345 -0.195 0.000 1.207 287 W CB 0.175 29.507 29.460 -0.214 0.000 1.199 287 W HN 0.329 nan 8.180 nan 0.000 0.544 288 N N 0.647 119.432 118.700 0.142 0.000 2.327 288 N HA 0.260 4.935 4.740 -0.107 0.000 0.257 288 N C 1.250 176.797 175.510 0.062 0.000 1.281 288 N CA 0.213 53.313 53.050 0.084 0.000 0.942 288 N CB -0.229 38.287 38.487 0.048 0.000 1.199 288 N HN 0.410 nan 8.380 nan 0.000 0.532 289 G N -0.729 108.098 108.800 0.044 0.000 2.421 289 G HA2 -0.329 3.566 3.960 -0.107 0.000 0.216 289 G HA3 -0.329 3.566 3.960 -0.107 0.000 0.216 289 G C 1.229 176.148 174.900 0.031 0.000 1.171 289 G CA 1.180 46.306 45.100 0.044 0.000 0.775 289 G HN 0.760 nan 8.290 nan 0.000 0.543 290 E N 0.772 120.966 120.200 -0.009 0.000 2.058 290 E HA -0.169 4.117 4.350 -0.107 0.000 0.194 290 E C 2.291 178.852 176.600 -0.065 0.000 0.997 290 E CA 1.734 58.117 56.400 -0.028 0.000 0.801 290 E CB -0.247 29.426 29.700 -0.045 0.000 0.746 290 E HN 0.379 nan 8.360 nan 0.000 0.450 291 K N -0.003 120.318 120.400 -0.131 0.000 2.026 291 K HA -0.079 4.177 4.320 -0.107 0.000 0.208 291 K C 2.119 178.535 176.600 -0.306 0.000 1.048 291 K CA 1.523 57.621 56.287 -0.316 0.000 0.929 291 K CB -0.451 31.757 32.500 -0.487 0.000 0.713 291 K HN 0.234 nan 8.250 nan 0.000 0.439 292 L N -0.217 120.963 121.223 -0.071 0.000 2.012 292 L HA -0.219 4.057 4.340 -0.107 0.000 0.210 292 L C 2.388 179.247 176.870 -0.020 0.000 1.073 292 L CA 1.810 56.680 54.840 0.051 0.000 0.748 292 L CB -0.725 41.408 42.059 0.124 0.000 0.891 292 L HN 0.280 nan 8.230 nan 0.000 0.431 293 Y N 0.541 120.789 120.300 -0.087 0.000 2.097 293 Y HA -0.321 4.170 4.550 -0.098 0.000 0.282 293 Y C 2.783 178.573 175.900 -0.184 0.000 1.152 293 Y CA 1.737 59.823 58.100 -0.023 0.000 1.136 293 Y CB -0.220 38.216 38.460 -0.039 0.000 0.975 293 Y HN 0.163 nan 8.280 nan 0.000 0.498 294 Q N 0.367 119.900 119.800 -0.445 0.000 2.084 294 Q HA -0.176 4.100 4.340 -0.107 0.000 0.202 294 Q C 2.127 177.695 176.000 -0.719 0.000 0.978 294 Q CA 1.699 56.975 55.803 -0.878 0.000 0.844 294 Q CB -0.392 27.421 28.738 -1.541 0.000 0.898 294 Q HN 0.617 nan 8.270 nan 0.000 0.426 295 E N 0.557 120.476 120.200 -0.467 0.000 2.077 295 E HA -0.107 4.179 4.350 -0.107 0.000 0.193 295 E C 1.878 178.443 176.600 -0.057 0.000 0.989 295 E CA 1.096 57.431 56.400 -0.108 0.000 0.800 295 E CB -0.104 29.620 29.700 0.041 0.000 0.746 295 E HN 0.310 nan 8.360 nan 0.000 0.452 296 A N 1.472 124.178 122.820 -0.190 0.000 1.930 296 A HA -0.170 4.085 4.320 -0.107 0.000 0.217 296 A C 2.202 179.705 177.584 -0.136 0.000 1.175 296 A CA 1.546 53.431 52.037 -0.254 0.000 0.627 296 A CB -0.452 18.204 19.000 -0.573 0.000 0.815 296 A HN 0.147 nan 8.150 nan 0.000 0.443 297 R N 0.022 120.372 120.500 -0.250 0.000 2.081 297 R HA -0.150 4.126 4.340 -0.107 0.000 0.235 297 R C 2.201 178.424 176.300 -0.129 0.000 1.131 297 R CA 1.953 57.829 56.100 -0.372 0.000 0.960 297 R CB -0.281 29.327 30.300 -1.154 0.000 0.856 297 R HN 0.490 nan 8.270 nan 0.000 0.436 298 K N 0.381 120.732 120.400 -0.082 0.000 2.097 298 K HA -0.105 4.151 4.320 -0.107 0.000 0.206 298 K C 2.000 178.821 176.600 0.367 0.000 1.049 298 K CA 1.601 57.967 56.287 0.131 0.000 0.933 298 K CB -0.053 32.540 32.500 0.155 0.000 0.717 298 K HN 0.251 nan 8.250 nan 0.000 0.442 299 I N 0.859 121.607 120.570 0.297 0.000 2.252 299 I HA -0.257 3.849 4.170 -0.107 0.000 0.245 299 I C 2.278 178.491 176.117 0.159 0.000 1.102 299 I CA 0.525 61.962 61.300 0.228 0.000 1.385 299 I CB -0.213 37.767 38.000 -0.034 0.000 1.064 299 I HN 0.182 nan 8.210 nan 0.000 0.414 300 L N 1.266 122.579 121.223 0.150 0.000 2.093 300 L HA -0.036 4.239 4.340 -0.107 0.000 0.208 300 L C 2.293 179.335 176.870 0.287 0.000 1.085 300 L CA 1.976 56.933 54.840 0.195 0.000 0.755 300 L CB -1.111 41.086 42.059 0.229 0.000 0.904 300 L HN 0.174 nan 8.230 nan 0.000 0.435 301 G N -1.169 107.791 108.800 0.266 0.000 2.408 301 G HA2 -0.212 3.684 3.960 -0.107 0.000 0.217 301 G HA3 -0.212 3.684 3.960 -0.107 0.000 0.217 301 G C 1.588 176.604 174.900 0.194 0.000 1.150 301 G CA 0.683 45.932 45.100 0.249 0.000 0.776 301 G HN 0.598 nan 8.290 nan 0.000 0.542 302 A N 0.417 123.349 122.820 0.186 0.000 1.930 302 A HA 0.109 4.364 4.320 -0.107 0.000 0.217 302 A C 2.127 179.603 177.584 -0.179 0.000 1.175 302 A CA 1.475 53.504 52.037 -0.012 0.000 0.627 302 A CB -0.508 18.478 19.000 -0.023 0.000 0.815 302 A HN 0.420 nan 8.150 nan 0.000 0.443 303 F N 0.730 120.601 119.950 -0.132 0.000 2.102 303 F HA -0.156 4.263 4.527 -0.179 0.000 0.298 303 F C 1.919 177.728 175.800 0.014 0.000 1.105 303 F CA 1.722 59.644 58.000 -0.130 0.000 1.239 303 F CB -0.263 38.692 39.000 -0.076 0.000 0.991 303 F HN 0.179 nan 8.300 nan 0.000 0.474 304 I N 0.308 120.982 120.570 0.173 0.000 2.179 304 I HA -0.343 3.763 4.170 -0.107 0.000 0.242 304 I C 2.454 178.729 176.117 0.263 0.000 1.088 304 I CA 1.652 63.153 61.300 0.336 0.000 1.357 304 I CB -0.658 37.576 38.000 0.390 0.000 1.051 304 I HN 0.281 nan 8.210 nan 0.000 0.409 305 Q N 0.412 120.286 119.800 0.123 0.000 2.096 305 Q HA -0.202 4.074 4.340 -0.107 0.000 0.204 305 Q C 2.328 178.391 176.000 0.105 0.000 0.982 305 Q CA 1.571 57.459 55.803 0.140 0.000 0.850 305 Q CB -0.107 28.443 28.738 -0.313 0.000 0.901 305 Q HN 0.562 nan 8.270 nan 0.000 0.422 306 I N 0.339 120.734 120.570 -0.291 0.000 2.286 306 I HA -0.230 3.876 4.170 -0.107 0.000 0.245 306 I C 2.065 178.106 176.117 -0.128 0.000 1.104 306 I CA 0.560 61.671 61.300 -0.315 0.000 1.397 306 I CB -0.176 37.402 38.000 -0.704 0.000 1.072 306 I HN 0.212 nan 8.210 nan 0.000 0.417 307 I N 0.686 121.076 120.570 -0.300 0.000 2.208 307 I HA -0.252 3.854 4.170 -0.107 0.000 0.245 307 I C 2.565 178.748 176.117 0.110 0.000 1.097 307 I CA 1.806 62.936 61.300 -0.283 0.000 1.363 307 I CB -1.650 35.897 38.000 -0.754 0.000 1.051 307 I HN 0.253 nan 8.210 nan 0.000 0.413 308 T N 0.881 115.661 114.554 0.377 0.000 2.737 308 T HA -0.119 4.167 4.350 -0.107 0.000 0.265 308 T C 1.746 176.687 174.700 0.401 0.000 1.038 308 T CA 1.457 63.904 62.100 0.579 0.000 1.144 308 T CB -0.303 68.974 68.868 0.681 0.000 0.866 308 T HN 0.093 nan 8.240 nan 0.000 0.434 309 F N 0.625 120.764 119.950 0.315 0.000 2.473 309 F HA 0.292 4.752 4.527 -0.111 0.000 0.294 309 F C 2.507 178.448 175.800 0.234 0.000 1.103 309 F CA 0.285 58.462 58.000 0.296 0.000 1.442 309 F CB -0.115 39.160 39.000 0.458 0.000 1.097 309 F HN -0.067 nan 8.300 nan 0.000 0.547 310 R N -0.012 120.714 120.500 0.378 0.000 2.112 310 R HA -0.048 4.228 4.340 -0.107 0.000 0.216 310 R C 1.042 177.453 176.300 0.185 0.000 1.080 310 R CA 1.454 57.703 56.100 0.248 0.000 0.996 310 R CB 0.015 30.422 30.300 0.179 0.000 0.902 310 R HN 0.123 nan 8.270 nan 0.000 0.449 311 D N -1.117 119.407 120.400 0.206 0.000 2.525 311 D HA -0.064 4.512 4.640 -0.107 0.000 0.248 311 D C 1.335 177.864 176.300 0.382 0.000 1.000 311 D CA 0.588 54.748 54.000 0.266 0.000 0.923 311 D CB -0.336 40.601 40.800 0.229 0.000 1.101 311 D HN 0.122 nan 8.370 nan 0.000 0.493 312 Y N 1.941 122.370 120.300 0.216 0.000 2.153 312 Y HA 0.030 4.516 4.550 -0.108 0.000 0.289 312 Y C 2.192 178.102 175.900 0.017 0.000 1.119 312 Y CA 1.216 59.334 58.100 0.030 0.000 1.116 312 Y CB -0.444 38.045 38.460 0.049 0.000 1.004 312 Y HN -0.198 nan 8.280 nan 0.000 0.501 313 L N 0.285 121.456 121.223 -0.087 0.000 2.042 313 L HA -0.170 4.106 4.340 -0.107 0.000 0.210 313 L C -0.555 176.197 176.870 -0.197 0.000 1.076 313 L CA 1.366 56.016 54.840 -0.318 0.000 0.749 313 L CB -1.846 39.944 42.059 -0.448 0.000 0.893 313 L HN 0.228 nan 8.230 nan 0.000 0.432 314 P HA -0.187 nan 4.420 nan 0.000 0.218 314 P C 1.566 178.816 177.300 -0.084 0.000 1.148 314 P CA 1.477 64.553 63.100 -0.041 0.000 0.822 314 P CB -0.094 31.615 31.700 0.016 0.000 0.784 315 I N -5.796 114.702 120.570 -0.120 0.000 3.793 315 I HA 0.068 4.174 4.170 -0.107 0.000 0.315 315 I C 1.302 177.306 176.117 -0.188 0.000 1.275 315 I CA 0.280 61.479 61.300 -0.168 0.000 1.214 315 I CB -0.212 37.662 38.000 -0.210 0.000 1.018 315 I HN -0.238 nan 8.210 nan 0.000 0.439 316 V N 1.246 121.035 119.914 -0.209 0.000 2.436 316 V HA 0.011 4.066 4.120 -0.107 0.000 0.240 316 V C 2.233 178.212 176.094 -0.193 0.000 1.040 316 V CA 1.233 63.410 62.300 -0.205 0.000 1.052 316 V CB 0.010 31.591 31.823 -0.403 0.000 0.707 316 V HN 0.389 nan 8.190 nan 0.000 0.469 317 L N -0.240 120.888 121.223 -0.157 0.000 2.341 317 L HA 0.313 4.589 4.340 -0.107 0.000 0.214 317 L C 1.837 178.689 176.870 -0.029 0.000 1.115 317 L CA 0.852 55.649 54.840 -0.071 0.000 0.820 317 L CB -0.935 41.120 42.059 -0.006 0.000 0.944 317 L HN 0.536 nan 8.230 nan 0.000 0.452 318 G N 1.214 109.983 108.800 -0.051 0.000 2.629 318 G HA2 -0.472 3.424 3.960 -0.107 0.000 0.313 318 G HA3 -0.472 3.424 3.960 -0.107 0.000 0.313 318 G C 1.056 175.951 174.900 -0.008 0.000 1.217 318 G CA 0.985 46.062 45.100 -0.038 0.000 0.994 318 G HN 0.437 nan 8.290 nan 0.000 0.549 319 S N 0.444 116.142 115.700 -0.004 0.000 2.507 319 S HA 0.056 4.462 4.470 -0.107 0.000 0.235 319 S C 1.560 176.168 174.600 0.012 0.000 0.988 319 S CA 1.950 60.150 58.200 -0.000 0.000 0.944 319 S CB 0.044 63.242 63.200 -0.004 0.000 0.762 319 S HN 0.615 nan 8.310 nan 0.000 0.526 320 E N 0.513 120.747 120.200 0.057 0.000 2.474 320 E HA 0.175 4.461 4.350 -0.107 0.000 0.194 320 E C 1.472 178.166 176.600 0.157 0.000 1.041 320 E CA 0.127 56.601 56.400 0.123 0.000 0.874 320 E CB -0.321 29.562 29.700 0.306 0.000 0.914 320 E HN 0.586 nan 8.360 nan 0.000 0.498 321 M N 1.285 120.947 119.600 0.104 0.000 2.082 321 M HA -0.218 4.198 4.480 -0.107 0.000 0.258 321 M C 1.965 178.324 176.300 0.099 0.000 1.071 321 M CA 1.751 57.116 55.300 0.109 0.000 1.103 321 M CB -0.128 32.506 32.600 0.056 0.000 1.307 321 M HN -0.159 nan 8.290 nan 0.000 0.409 322 Q N 0.202 120.024 119.800 0.037 0.000 2.124 322 Q HA -0.218 4.058 4.340 -0.107 0.000 0.202 322 Q C 2.185 178.150 176.000 -0.058 0.000 0.977 322 Q CA 1.819 57.628 55.803 0.010 0.000 0.850 322 Q CB -0.691 28.043 28.738 -0.007 0.000 0.901 322 Q HN 0.695 nan 8.270 nan 0.000 0.429 323 K N -0.499 119.798 120.400 -0.171 0.000 2.097 323 K HA -0.175 4.081 4.320 -0.107 0.000 0.206 323 K C 1.442 177.745 176.600 -0.494 0.000 1.049 323 K CA 1.403 57.431 56.287 -0.430 0.000 0.933 323 K CB -0.037 32.047 32.500 -0.694 0.000 0.717 323 K HN 0.212 nan 8.250 nan 0.000 0.442 324 W N 0.087 121.413 121.300 0.044 0.000 2.735 324 W HA 0.293 4.887 4.660 -0.109 0.000 0.264 324 W C 0.360 176.932 176.519 0.088 0.000 1.233 324 W CA -0.477 56.906 57.345 0.062 0.000 1.408 324 W CB 0.642 30.150 29.460 0.080 0.000 1.038 324 W HN -0.174 nan 8.180 nan 0.000 0.603 325 I N 1.480 122.220 120.570 0.283 0.000 2.697 325 I HA 0.271 4.377 4.170 -0.107 0.000 0.279 325 I C -2.492 173.735 176.117 0.183 0.000 1.171 325 I CA -1.901 59.552 61.300 0.255 0.000 1.135 325 I CB 0.239 38.423 38.000 0.307 0.000 1.445 325 I HN -0.491 nan 8.210 nan 0.000 0.541 326 P HA 0.178 nan 4.420 nan 0.000 0.270 326 P C -2.340 175.039 177.300 0.133 0.000 1.223 326 P CA -0.847 62.308 63.100 0.092 0.000 0.785 326 P CB -0.198 31.532 31.700 0.050 0.000 0.923 327 P HA -0.065 nan 4.420 nan 0.000 0.266 327 P C -0.617 176.785 177.300 0.170 0.000 1.193 327 P CA 0.277 63.473 63.100 0.159 0.000 0.770 327 P CB 0.042 31.813 31.700 0.118 0.000 0.836 328 Y N 2.619 122.952 120.300 0.054 0.000 2.597 328 Y HA -0.004 4.486 4.550 -0.101 0.000 0.336 328 Y C 1.124 177.021 175.900 -0.004 0.000 1.216 328 Y CA 0.846 58.945 58.100 -0.002 0.000 1.463 328 Y CB 0.438 38.901 38.460 0.006 0.000 1.303 328 Y HN 0.342 nan 8.280 nan 0.000 0.576 329 Q N 4.387 123.873 119.800 -0.524 0.000 2.110 329 Q HA 0.307 4.583 4.340 -0.107 0.000 0.232 329 Q C 0.263 175.890 176.000 -0.622 0.000 0.810 329 Q CA 0.450 55.998 55.803 -0.426 0.000 1.083 329 Q CB 0.671 29.279 28.738 -0.217 0.000 1.193 329 Q HN 1.030 nan 8.270 nan 0.000 0.471 330 G N 1.280 109.282 108.800 -1.329 0.000 2.661 330 G HA2 -0.272 3.624 3.960 -0.107 0.000 0.685 330 G HA3 -0.272 3.624 3.960 -0.107 0.000 0.685 330 G C -1.238 173.445 174.900 -0.362 0.000 1.298 330 G CA -0.845 43.785 45.100 -0.784 0.000 0.855 330 G HN 0.169 nan 8.290 nan 0.000 0.560 331 Y N 1.838 122.070 120.300 -0.114 0.000 2.442 331 Y HA 0.569 5.056 4.550 -0.105 0.000 0.330 331 Y C 0.339 176.218 175.900 -0.035 0.000 1.129 331 Y CA -0.800 57.308 58.100 0.014 0.000 1.365 331 Y CB 0.954 39.443 38.460 0.049 0.000 1.233 331 Y HN 0.606 nan 8.280 nan 0.000 0.529 332 N N 5.397 123.853 118.700 -0.406 0.000 2.564 332 N HA 0.042 4.718 4.740 -0.107 0.000 0.248 332 N C -0.169 174.927 175.510 -0.690 0.000 0.986 332 N CA -0.381 52.368 53.050 -0.501 0.000 0.921 332 N CB 0.353 38.713 38.487 -0.211 0.000 1.136 332 N HN 0.869 nan 8.380 nan 0.000 0.509 333 N N 1.361 119.543 118.700 -0.864 0.000 2.571 333 N HA -0.033 4.643 4.740 -0.107 0.000 0.189 333 N C 0.336 175.751 175.510 -0.158 0.000 1.154 333 N CA 0.340 53.087 53.050 -0.505 0.000 0.907 333 N CB 0.136 38.417 38.487 -0.343 0.000 0.977 333 N HN 0.143 nan 8.380 nan 0.000 0.449 334 S N -0.604 115.010 115.700 -0.143 0.000 2.548 334 S HA 0.177 4.583 4.470 -0.107 0.000 0.215 334 S C 0.490 175.085 174.600 -0.009 0.000 0.976 334 S CA -0.448 57.721 58.200 -0.051 0.000 0.908 334 S CB 0.352 63.521 63.200 -0.053 0.000 0.781 334 S HN 0.138 nan 8.310 nan 0.000 0.519 335 V N 3.025 122.934 119.914 -0.008 0.000 2.649 335 V HA 0.189 4.245 4.120 -0.107 0.000 0.292 335 V C 0.018 176.169 176.094 0.095 0.000 1.055 335 V CA -0.696 61.630 62.300 0.044 0.000 1.023 335 V CB 1.303 33.157 31.823 0.052 0.000 0.992 335 V HN 0.190 nan 8.190 nan 0.000 0.480 336 D N 6.528 126.991 120.400 0.104 0.000 2.339 336 D HA 0.266 4.841 4.640 -0.107 0.000 0.241 336 D C -1.455 174.922 176.300 0.128 0.000 1.183 336 D CA -2.070 52.006 54.000 0.127 0.000 0.859 336 D CB 1.716 42.603 40.800 0.145 0.000 1.067 336 D HN 0.264 nan 8.370 nan 0.000 0.484 337 P HA 0.047 nan 4.420 nan 0.000 0.255 337 P C 0.054 177.288 177.300 -0.110 0.000 1.248 337 P CA -0.071 63.051 63.100 0.038 0.000 0.807 337 P CB 0.438 32.198 31.700 0.101 0.000 1.150 338 R N 0.432 120.900 120.500 -0.054 0.000 2.679 338 R HA 0.181 4.457 4.340 -0.107 0.000 0.268 338 R C 0.687 176.914 176.300 -0.123 0.000 1.044 338 R CA -0.504 55.535 56.100 -0.101 0.000 1.105 338 R CB 0.292 30.573 30.300 -0.032 0.000 0.989 338 R HN 0.020 nan 8.270 nan 0.000 0.447 339 I N 2.209 122.669 120.570 -0.183 0.000 2.588 339 I HA -0.045 4.061 4.170 -0.107 0.000 0.283 339 I C 1.065 177.027 176.117 -0.259 0.000 1.119 339 I CA 0.361 61.507 61.300 -0.257 0.000 1.419 339 I CB 0.584 38.488 38.000 -0.162 0.000 1.394 339 I HN 0.699 nan 8.210 nan 0.000 0.562 340 S N 5.211 120.621 115.700 -0.482 0.000 2.617 340 S HA 0.207 4.613 4.470 -0.107 0.000 0.269 340 S C 1.027 175.404 174.600 -0.372 0.000 1.292 340 S CA -0.665 57.137 58.200 -0.663 0.000 1.010 340 S CB 1.479 63.598 63.200 -1.802 0.000 0.944 340 S HN 0.630 nan 8.310 nan 0.000 0.536 341 N N 0.549 119.111 118.700 -0.229 0.000 2.084 341 N HA -0.130 4.546 4.740 -0.107 0.000 0.190 341 N C 1.697 177.188 175.510 -0.032 0.000 1.030 341 N CA 1.390 54.434 53.050 -0.010 0.000 0.849 341 N CB -0.597 37.982 38.487 0.154 0.000 1.012 341 N HN 0.531 nan 8.380 nan 0.000 0.423 342 V N 0.787 120.581 119.914 -0.201 0.000 2.490 342 V HA -0.193 3.863 4.120 -0.107 0.000 0.250 342 V C 2.067 178.011 176.094 -0.249 0.000 1.061 342 V CA 1.444 63.580 62.300 -0.273 0.000 1.064 342 V CB -0.740 30.527 31.823 -0.926 0.000 0.670 342 V HN 0.277 nan 8.190 nan 0.000 0.461 343 F N 1.889 121.535 119.950 -0.507 0.000 2.161 343 F HA -0.200 4.262 4.527 -0.109 0.000 0.300 343 F C 2.620 178.293 175.800 -0.212 0.000 1.089 343 F CA 2.292 60.075 58.000 -0.362 0.000 1.282 343 F CB -0.724 38.017 39.000 -0.432 0.000 1.010 343 F HN 0.386 nan 8.300 nan 0.000 0.485 344 T N -2.341 112.064 114.554 -0.248 0.000 2.977 344 T HA -0.187 4.098 4.350 -0.107 0.000 0.271 344 T C 1.665 175.949 174.700 -0.694 0.000 1.105 344 T CA 1.443 63.275 62.100 -0.447 0.000 1.116 344 T CB -1.025 67.548 68.868 -0.492 0.000 0.878 344 T HN 0.336 nan 8.240 nan 0.000 0.509 345 F N 0.925 120.781 119.950 -0.157 0.000 2.505 345 F HA 0.540 5.004 4.527 -0.106 0.000 0.289 345 F C 2.822 178.633 175.800 0.018 0.000 1.101 345 F CA 0.023 57.987 58.000 -0.061 0.000 1.446 345 F CB -0.437 38.541 39.000 -0.037 0.000 1.123 345 F HN 0.187 nan 8.300 nan 0.000 0.564 346 A N 0.156 122.987 122.820 0.020 0.000 1.902 346 A HA -0.231 4.024 4.320 -0.107 0.000 0.217 346 A C 1.924 179.584 177.584 0.126 0.000 1.181 346 A CA 1.293 53.342 52.037 0.020 0.000 0.623 346 A CB -1.105 17.834 19.000 -0.102 0.000 0.818 346 A HN 0.376 nan 8.150 nan 0.000 0.443 347 F N 0.785 120.520 119.950 -0.359 0.000 2.748 347 F HA 0.092 4.553 4.527 -0.110 0.000 0.299 347 F C 1.694 177.202 175.800 -0.486 0.000 1.154 347 F CA 0.152 57.910 58.000 -0.402 0.000 1.446 347 F CB -0.423 38.105 39.000 -0.787 0.000 1.112 347 F HN 0.205 nan 8.300 nan 0.000 0.584 348 R N -0.020 120.411 120.500 -0.116 0.000 2.325 348 R HA -0.079 4.197 4.340 -0.107 0.000 0.214 348 R C 1.745 178.002 176.300 -0.071 0.000 0.961 348 R CA 0.291 56.173 56.100 -0.363 0.000 1.086 348 R CB -0.844 29.308 30.300 -0.247 0.000 1.037 348 R HN 0.368 nan 8.270 nan 0.000 0.493 349 F N -1.272 118.721 119.950 0.072 0.000 2.333 349 F HA 0.087 4.549 4.527 -0.109 0.000 0.300 349 F C 1.833 177.675 175.800 0.071 0.000 1.083 349 F CA 0.703 58.741 58.000 0.063 0.000 1.395 349 F CB -0.775 38.246 39.000 0.035 0.000 1.056 349 F HN -0.126 nan 8.300 nan 0.000 0.529 350 G N -0.352 108.008 108.800 -0.733 0.000 2.498 350 G HA2 -0.206 3.690 3.960 -0.107 0.000 0.219 350 G HA3 -0.206 3.690 3.960 -0.107 0.000 0.219 350 G C 1.236 176.124 174.900 -0.019 0.000 1.119 350 G CA 0.853 45.673 45.100 -0.466 0.000 0.766 350 G HN 0.620 nan 8.290 nan 0.000 0.552 351 H N -0.486 118.615 119.070 0.052 0.000 2.457 351 H HA 0.117 4.609 4.556 -0.107 0.000 0.294 351 H C 2.297 177.754 175.328 0.214 0.000 1.064 351 H CA 0.613 56.754 56.048 0.156 0.000 1.330 351 H CB 0.070 29.988 29.762 0.260 0.000 1.395 351 H HN 0.340 nan 8.280 nan 0.000 0.541 352 M N 0.198 120.003 119.600 0.343 0.000 2.561 352 M HA -0.022 4.394 4.480 -0.107 0.000 0.238 352 M C 0.709 177.146 176.300 0.229 0.000 1.131 352 M CA 0.882 56.345 55.300 0.273 0.000 1.046 352 M CB 0.428 33.156 32.600 0.213 0.000 1.532 352 M HN 0.277 nan 8.290 nan 0.000 0.497 353 E N -0.094 120.237 120.200 0.218 0.000 2.498 353 E HA 0.120 4.406 4.350 -0.107 0.000 0.203 353 E C -0.194 176.513 176.600 0.178 0.000 1.013 353 E CA -0.140 56.383 56.400 0.206 0.000 0.927 353 E CB 0.889 30.714 29.700 0.208 0.000 1.012 353 E HN 0.156 nan 8.360 nan 0.000 0.482 354 V N 4.739 124.760 119.914 0.179 0.000 2.432 354 V HA 0.155 4.210 4.120 -0.107 0.000 0.271 354 V C -1.801 174.398 176.094 0.175 0.000 1.046 354 V CA -1.462 60.935 62.300 0.161 0.000 0.945 354 V CB 0.674 32.595 31.823 0.163 0.000 0.992 354 V HN 0.064 nan 8.190 nan 0.000 0.471 355 P HA 0.208 nan 4.420 nan 0.000 0.279 355 P C 0.620 178.001 177.300 0.135 0.000 1.276 355 P CA -0.464 62.727 63.100 0.152 0.000 0.801 355 P CB 1.251 33.029 31.700 0.130 0.000 1.127 356 S N -1.590 114.188 115.700 0.131 0.000 2.527 356 S HA 0.047 4.452 4.470 -0.107 0.000 0.222 356 S C 0.883 175.522 174.600 0.065 0.000 0.985 356 S CA 0.644 58.908 58.200 0.106 0.000 0.921 356 S CB -1.105 62.158 63.200 0.105 0.000 0.772 356 S HN 0.758 nan 8.310 nan 0.000 0.529 357 T N -1.614 112.973 114.554 0.056 0.000 2.887 357 T HA 0.756 5.042 4.350 -0.107 0.000 0.292 357 T C -0.983 173.726 174.700 0.015 0.000 1.087 357 T CA -0.800 61.313 62.100 0.022 0.000 1.009 357 T CB 1.799 70.685 68.868 0.030 0.000 1.203 357 T HN 0.011 nan 8.240 nan 0.000 0.518 358 V N 1.238 121.143 119.914 -0.015 0.000 2.709 358 V HA 0.709 4.765 4.120 -0.107 0.000 0.308 358 V C -0.306 175.780 176.094 -0.014 0.000 1.062 358 V CA -0.711 61.579 62.300 -0.016 0.000 0.901 358 V CB 2.187 33.977 31.823 -0.055 0.000 1.003 358 V HN 1.144 nan 8.190 nan 0.000 0.425 359 S N 2.975 118.677 115.700 0.004 0.000 2.568 359 S HA 0.778 5.184 4.470 -0.107 0.000 0.302 359 S C -0.641 173.950 174.600 -0.015 0.000 1.082 359 S CA -0.839 57.367 58.200 0.010 0.000 1.009 359 S CB 1.832 65.056 63.200 0.040 0.000 1.069 359 S HN 0.656 nan 8.310 nan 0.000 0.500 360 R N 1.250 121.747 120.500 -0.005 0.000 2.445 360 R HA 0.681 4.957 4.340 -0.107 0.000 0.308 360 R C -1.097 175.221 176.300 0.031 0.000 0.961 360 R CA -0.225 55.836 56.100 -0.064 0.000 0.862 360 R CB 0.715 30.971 30.300 -0.074 0.000 1.144 360 R HN 0.473 nan 8.270 nan 0.000 0.447 361 L N 2.074 123.254 121.223 -0.071 0.000 2.354 361 L HA 0.522 4.798 4.340 -0.107 0.000 0.269 361 L C -0.184 176.638 176.870 -0.080 0.000 1.005 361 L CA -1.219 53.593 54.840 -0.046 0.000 0.819 361 L CB 1.976 43.934 42.059 -0.169 0.000 1.311 361 L HN 0.683 nan 8.230 nan 0.000 0.423 362 D N -0.273 120.174 120.400 0.079 0.000 2.478 362 D HA 0.066 4.642 4.640 -0.107 0.000 0.269 362 D C 0.530 176.742 176.300 -0.146 0.000 1.232 362 D CA -0.417 53.706 54.000 0.205 0.000 1.059 362 D CB 0.590 41.539 40.800 0.248 0.000 1.104 362 D HN 0.519 nan 8.370 nan 0.000 0.566 363 E N -1.389 118.769 120.200 -0.069 0.000 2.409 363 E HA -0.097 4.189 4.350 -0.107 0.000 0.198 363 E C 0.450 176.961 176.600 -0.148 0.000 1.024 363 E CA 0.631 56.950 56.400 -0.136 0.000 0.861 363 E CB -0.374 29.317 29.700 -0.016 0.000 0.788 363 E HN 0.426 nan 8.360 nan 0.000 0.521 364 N N -0.367 118.271 118.700 -0.102 0.000 2.268 364 N HA 0.056 4.732 4.740 -0.107 0.000 0.204 364 N C -0.848 174.586 175.510 -0.126 0.000 1.124 364 N CA -0.144 52.890 53.050 -0.026 0.000 0.838 364 N CB 0.250 38.803 38.487 0.109 0.000 0.994 364 N HN 0.097 nan 8.380 nan 0.000 0.489 365 Y N -0.038 119.990 120.300 -0.453 0.000 3.825 365 Y HA -0.288 4.196 4.550 -0.110 0.000 0.221 365 Y C 0.024 175.852 175.900 -0.119 0.000 1.195 365 Y CA 0.402 58.276 58.100 -0.378 0.000 1.699 365 Y CB -1.568 36.473 38.460 -0.698 0.000 1.531 365 Y HN 0.282 nan 8.280 nan 0.000 0.640 366 Q N -0.306 119.501 119.800 0.012 0.000 2.297 366 Q HA 0.451 4.727 4.340 -0.107 0.000 0.268 366 Q C -2.314 173.720 176.000 0.056 0.000 1.045 366 Q CA -2.249 53.587 55.803 0.055 0.000 0.861 366 Q CB 1.383 30.153 28.738 0.054 0.000 1.344 366 Q HN -0.131 nan 8.270 nan 0.000 0.452 367 P HA -0.125 nan 4.420 nan 0.000 0.259 367 P C -0.879 176.483 177.300 0.103 0.000 1.163 367 P CA 0.560 63.708 63.100 0.081 0.000 0.760 367 P CB 0.185 31.916 31.700 0.050 0.000 0.762 368 W N 5.646 126.915 121.300 -0.051 0.000 2.360 368 W HA 0.472 5.069 4.660 -0.104 0.000 0.344 368 W C 0.672 177.169 176.519 -0.037 0.000 1.025 368 W CA 1.261 58.574 57.345 -0.054 0.000 1.480 368 W CB 0.016 29.432 29.460 -0.072 0.000 1.350 368 W HN 0.806 nan 8.180 nan 0.000 0.382 369 G N 5.641 114.239 108.800 -0.336 0.000 2.660 369 G HA2 -0.232 3.664 3.960 -0.107 0.000 0.247 369 G HA3 -0.232 3.664 3.960 -0.107 0.000 0.247 369 G C -2.081 172.759 174.900 -0.100 0.000 1.328 369 G CA -0.349 44.576 45.100 -0.291 0.000 0.884 369 G HN 0.328 nan 8.290 nan 0.000 0.531 370 P HA 0.298 nan 4.420 nan 0.000 0.264 370 P C 0.238 177.539 177.300 0.003 0.000 1.259 370 P CA 0.764 63.845 63.100 -0.030 0.000 0.841 370 P CB 0.553 32.232 31.700 -0.035 0.000 1.232 371 E N -0.242 119.973 120.200 0.024 0.000 3.406 371 E HA 0.448 4.734 4.350 -0.107 0.000 0.210 371 E C 0.882 177.518 176.600 0.060 0.000 1.167 371 E CA -0.271 56.151 56.400 0.036 0.000 1.132 371 E CB 0.349 30.072 29.700 0.038 0.000 1.309 371 E HN -0.011 nan 8.360 nan 0.000 0.424 372 A N 1.382 124.241 122.820 0.066 0.000 1.897 372 A HA -0.060 4.196 4.320 -0.107 0.000 0.215 372 A C 1.037 178.657 177.584 0.061 0.000 1.181 372 A CA 0.729 52.830 52.037 0.106 0.000 0.620 372 A CB 0.097 19.162 19.000 0.108 0.000 0.821 372 A HN 0.368 nan 8.150 nan 0.000 0.443 373 E N -0.174 120.049 120.200 0.038 0.000 2.197 373 E HA 0.587 4.873 4.350 -0.107 0.000 0.281 373 E C -1.457 175.141 176.600 -0.003 0.000 0.995 373 E CA -0.409 56.002 56.400 0.019 0.000 0.808 373 E CB 0.657 30.374 29.700 0.028 0.000 1.093 373 E HN 0.377 nan 8.360 nan 0.000 0.394 374 L N 5.031 126.236 121.223 -0.030 0.000 2.371 374 L HA 0.506 4.781 4.340 -0.107 0.000 0.262 374 L C -2.376 174.443 176.870 -0.085 0.000 1.006 374 L CA -2.609 52.190 54.840 -0.068 0.000 0.818 374 L CB 2.178 44.169 42.059 -0.113 0.000 1.354 374 L HN 0.490 nan 8.230 nan 0.000 0.415 375 P HA 0.039 nan 4.420 nan 0.000 0.271 375 P C 0.445 177.626 177.300 -0.197 0.000 1.220 375 P CA -0.355 62.687 63.100 -0.097 0.000 0.768 375 P CB 0.785 32.432 31.700 -0.089 0.000 0.848 376 L N 4.782 125.930 121.223 -0.124 0.000 2.081 376 L HA -0.235 4.040 4.340 -0.107 0.000 0.212 376 L C 2.252 178.757 176.870 -0.607 0.000 1.080 376 L CA 1.977 56.664 54.840 -0.254 0.000 0.754 376 L CB -1.286 40.717 42.059 -0.094 0.000 0.893 376 L HN 0.551 nan 8.230 nan 0.000 0.433 377 H N -1.893 116.886 119.070 -0.485 0.000 2.491 377 H HA -0.071 4.421 4.556 -0.107 0.000 0.290 377 H C 1.658 176.771 175.328 -0.358 0.000 1.050 377 H CA 1.463 57.153 56.048 -0.597 0.000 1.309 377 H CB -1.026 28.782 29.762 0.078 0.000 1.392 377 H HN 0.538 nan 8.280 nan 0.000 0.554 378 T N -1.070 113.023 114.554 -0.769 0.000 3.160 378 T HA 0.121 4.407 4.350 -0.107 0.000 0.257 378 T C 1.716 176.239 174.700 -0.295 0.000 1.147 378 T CA 0.143 61.947 62.100 -0.494 0.000 1.064 378 T CB -0.352 68.247 68.868 -0.448 0.000 0.949 378 T HN 0.340 nan 8.240 nan 0.000 0.526 379 L N -0.310 120.677 121.223 -0.392 0.000 2.693 379 L HA 0.448 4.723 4.340 -0.107 0.000 0.235 379 L C -0.350 176.424 176.870 -0.160 0.000 1.127 379 L CA -0.650 54.017 54.840 -0.288 0.000 0.914 379 L CB 0.051 41.938 42.059 -0.288 0.000 1.193 379 L HN 0.146 nan 8.230 nan 0.000 0.502 380 F N 0.421 120.395 119.950 0.041 0.000 2.543 380 F HA 0.164 4.626 4.527 -0.108 0.000 0.375 380 F C 0.733 176.567 175.800 0.057 0.000 1.075 380 F CA -0.727 57.278 58.000 0.009 0.000 1.225 380 F CB -0.484 38.664 39.000 0.247 0.000 1.099 380 F HN -0.029 nan 8.300 nan 0.000 0.561 381 F N 0.392 120.443 119.950 0.169 0.000 3.093 381 F HA -0.316 4.148 4.527 -0.106 0.000 0.287 381 F C 0.490 176.270 175.800 -0.033 0.000 0.882 381 F CA 0.176 58.193 58.000 0.027 0.000 1.063 381 F CB -1.562 37.434 39.000 -0.006 0.000 1.097 381 F HN 0.499 nan 8.300 nan 0.000 0.604 382 N N 0.813 119.524 118.700 0.018 0.000 2.546 382 N HA 0.275 4.951 4.740 -0.107 0.000 0.238 382 N C 0.916 176.330 175.510 -0.160 0.000 0.984 382 N CA 0.615 53.605 53.050 -0.099 0.000 0.935 382 N CB 1.030 39.383 38.487 -0.223 0.000 1.122 382 N HN 0.275 nan 8.380 nan 0.000 0.510 383 T N -0.448 114.027 114.554 -0.132 0.000 2.990 383 T HA 0.030 4.316 4.350 -0.107 0.000 0.250 383 T C 1.762 176.390 174.700 -0.119 0.000 1.041 383 T CA -0.377 61.623 62.100 -0.166 0.000 1.010 383 T CB -0.299 68.328 68.868 -0.401 0.000 1.003 383 T HN 0.634 nan 8.240 nan 0.000 0.499 384 W N 2.094 123.322 121.300 -0.120 0.000 2.467 384 W HA 0.140 4.737 4.660 -0.105 0.000 0.275 384 W C 1.243 177.728 176.519 -0.056 0.000 1.239 384 W CA -0.150 57.138 57.345 -0.095 0.000 1.266 384 W CB -0.595 28.805 29.460 -0.100 0.000 1.112 384 W HN 0.052 nan 8.180 nan 0.000 0.576 385 R N 1.050 121.037 120.500 -0.855 0.000 2.323 385 R HA 0.065 4.341 4.340 -0.107 0.000 0.198 385 R C 1.797 177.880 176.300 -0.361 0.000 0.988 385 R CA 0.616 56.194 56.100 -0.871 0.000 1.041 385 R CB -0.228 29.467 30.300 -1.008 0.000 0.926 385 R HN 0.431 nan 8.270 nan 0.000 0.476 386 I N -0.675 119.762 120.570 -0.222 0.000 2.685 386 I HA -0.083 4.023 4.170 -0.107 0.000 0.251 386 I C 1.927 178.003 176.117 -0.069 0.000 1.102 386 I CA 0.602 61.829 61.300 -0.122 0.000 1.442 386 I CB -0.062 37.888 38.000 -0.083 0.000 1.194 386 I HN -0.055 nan 8.210 nan 0.000 0.448 387 I N 0.809 121.330 120.570 -0.082 0.000 2.353 387 I HA -0.185 3.920 4.170 -0.107 0.000 0.248 387 I C 1.976 178.169 176.117 0.128 0.000 1.119 387 I CA 1.430 62.711 61.300 -0.033 0.000 1.417 387 I CB -0.074 37.920 38.000 -0.011 0.000 1.078 387 I HN 0.071 nan 8.210 nan 0.000 0.421 388 K N -0.475 120.021 120.400 0.161 0.000 2.374 388 K HA 0.004 4.260 4.320 -0.107 0.000 0.196 388 K C 0.676 177.406 176.600 0.217 0.000 1.023 388 K CA 0.317 56.740 56.287 0.226 0.000 1.103 388 K CB 0.359 33.050 32.500 0.319 0.000 0.848 388 K HN 0.095 nan 8.250 nan 0.000 0.528 389 D N -0.947 119.538 120.400 0.141 0.000 2.498 389 D HA 0.090 4.666 4.640 -0.107 0.000 0.223 389 D C 0.569 176.944 176.300 0.125 0.000 1.125 389 D CA 0.478 54.573 54.000 0.158 0.000 0.835 389 D CB 1.330 42.166 40.800 0.061 0.000 1.086 389 D HN 0.226 nan 8.370 nan 0.000 0.510 390 G N -0.242 108.558 108.800 0.001 0.000 3.136 390 G HA2 0.362 4.258 3.960 -0.107 0.000 0.221 390 G HA3 0.362 4.258 3.960 -0.107 0.000 0.221 390 G C 0.677 175.475 174.900 -0.169 0.000 0.961 390 G CA 0.190 45.218 45.100 -0.119 0.000 0.983 390 G HN 0.608 nan 8.290 nan 0.000 0.648 391 G N -0.211 108.588 108.800 -0.002 0.000 2.796 391 G HA2 -0.014 3.882 3.960 -0.107 0.000 0.226 391 G HA3 -0.014 3.882 3.960 -0.107 0.000 0.226 391 G C 1.084 175.969 174.900 -0.026 0.000 1.381 391 G CA 0.101 45.262 45.100 0.101 0.000 0.867 391 G HN 1.577 nan 8.290 nan 0.000 0.552 392 I N -2.951 117.631 120.570 0.019 0.000 2.928 392 I HA 0.142 4.248 4.170 -0.107 0.000 0.266 392 I C 1.699 177.748 176.117 -0.113 0.000 1.234 392 I CA 1.660 62.933 61.300 -0.045 0.000 1.483 392 I CB -0.247 37.750 38.000 -0.006 0.000 1.097 392 I HN 0.328 nan 8.210 nan 0.000 0.455 393 D N 2.623 122.939 120.400 -0.141 0.000 2.104 393 D HA -0.105 4.471 4.640 -0.107 0.000 0.194 393 D C -0.256 175.904 176.300 -0.234 0.000 0.994 393 D CA 1.612 55.520 54.000 -0.153 0.000 0.830 393 D CB -1.748 38.979 40.800 -0.121 0.000 0.959 393 D HN 0.344 nan 8.370 nan 0.000 0.452 394 P HA -0.058 nan 4.420 nan 0.000 0.220 394 P C 1.586 178.715 177.300 -0.284 0.000 1.148 394 P CA 0.786 63.598 63.100 -0.481 0.000 0.803 394 P CB 0.017 31.151 31.700 -0.944 0.000 0.782 395 L N -1.644 119.447 121.223 -0.220 0.000 2.095 395 L HA -0.092 4.183 4.340 -0.107 0.000 0.204 395 L C 2.318 179.162 176.870 -0.043 0.000 1.080 395 L CA 1.008 55.777 54.840 -0.119 0.000 0.759 395 L CB -1.032 40.964 42.059 -0.106 0.000 0.914 395 L HN -0.172 nan 8.230 nan 0.000 0.439 396 V N -0.015 119.880 119.914 -0.032 0.000 2.407 396 V HA -0.254 3.801 4.120 -0.107 0.000 0.248 396 V C 2.622 178.768 176.094 0.086 0.000 1.055 396 V CA 1.645 63.977 62.300 0.053 0.000 1.049 396 V CB -0.672 31.187 31.823 0.060 0.000 0.662 396 V HN 0.414 nan 8.190 nan 0.000 0.455 397 R N 0.227 120.725 120.500 -0.004 0.000 2.075 397 R HA -0.089 4.187 4.340 -0.107 0.000 0.232 397 R C 2.523 178.919 176.300 0.159 0.000 1.126 397 R CA 1.419 57.539 56.100 0.034 0.000 0.963 397 R CB -0.877 29.130 30.300 -0.487 0.000 0.858 397 R HN 0.580 nan 8.270 nan 0.000 0.435 398 G N 1.524 110.357 108.800 0.054 0.000 2.440 398 G HA2 -0.243 3.653 3.960 -0.107 0.000 0.218 398 G HA3 -0.243 3.653 3.960 -0.107 0.000 0.218 398 G C 1.469 176.449 174.900 0.132 0.000 1.154 398 G CA 0.458 45.612 45.100 0.090 0.000 0.767 398 G HN 0.147 nan 8.290 nan 0.000 0.552 399 L N -0.274 121.022 121.223 0.122 0.000 2.127 399 L HA -0.012 4.264 4.340 -0.107 0.000 0.211 399 L C 2.773 179.744 176.870 0.169 0.000 1.089 399 L CA 0.589 55.509 54.840 0.133 0.000 0.757 399 L CB -0.175 41.957 42.059 0.122 0.000 0.899 399 L HN 0.240 nan 8.230 nan 0.000 0.434 400 L N -1.440 119.924 121.223 0.234 0.000 2.202 400 L HA 0.026 4.302 4.340 -0.107 0.000 0.205 400 L C 2.417 179.488 176.870 0.335 0.000 1.083 400 L CA 0.800 55.805 54.840 0.276 0.000 0.790 400 L CB -0.397 41.907 42.059 0.407 0.000 0.942 400 L HN 0.128 nan 8.230 nan 0.000 0.452 401 A N -1.387 121.660 122.820 0.380 0.000 2.252 401 A HA 0.154 4.410 4.320 -0.107 0.000 0.213 401 A C 0.846 178.570 177.584 0.233 0.000 1.188 401 A CA 0.209 52.457 52.037 0.351 0.000 0.863 401 A CB 0.194 19.418 19.000 0.374 0.000 0.893 401 A HN -0.018 nan 8.150 nan 0.000 0.495 402 K N 0.525 121.042 120.400 0.195 0.000 2.211 402 K HA 0.551 4.806 4.320 -0.107 0.000 0.237 402 K C -0.761 175.929 176.600 0.149 0.000 1.002 402 K CA -0.387 55.990 56.287 0.151 0.000 0.885 402 K CB 1.098 33.673 32.500 0.126 0.000 1.136 402 K HN 0.165 nan 8.250 nan 0.000 0.448 403 K N 0.491 120.971 120.400 0.133 0.000 2.156 403 K HA 0.367 4.623 4.320 -0.107 0.000 0.250 403 K C -0.092 176.597 176.600 0.149 0.000 0.955 403 K CA -0.556 55.812 56.287 0.135 0.000 0.855 403 K CB 1.556 34.123 32.500 0.112 0.000 1.101 403 K HN 0.388 nan 8.250 nan 0.000 0.434 404 S N 1.276 117.085 115.700 0.183 0.000 2.584 404 S HA 0.017 4.423 4.470 -0.107 0.000 0.270 404 S C 0.047 174.752 174.600 0.174 0.000 1.346 404 S CA -0.332 57.994 58.200 0.210 0.000 1.018 404 S CB 0.526 63.928 63.200 0.336 0.000 0.899 404 S HN 0.423 nan 8.310 nan 0.000 0.542 405 K N 1.012 121.516 120.400 0.173 0.000 2.295 405 K HA 0.215 4.471 4.320 -0.107 0.000 0.270 405 K C -0.646 176.046 176.600 0.153 0.000 1.011 405 K CA -0.497 55.882 56.287 0.152 0.000 0.953 405 K CB 0.284 32.884 32.500 0.166 0.000 0.956 405 K HN 0.378 nan 8.250 nan 0.000 0.477 406 L N 5.096 126.381 121.223 0.104 0.000 2.292 406 L HA 0.234 4.510 4.340 -0.107 0.000 0.284 406 L C -0.013 176.898 176.870 0.068 0.000 1.065 406 L CA -0.266 54.627 54.840 0.089 0.000 0.806 406 L CB 1.304 43.390 42.059 0.045 0.000 1.175 406 L HN 0.747 nan 8.230 nan 0.000 0.431 407 M N 5.011 124.665 119.600 0.090 0.000 2.249 407 M HA 0.101 4.517 4.480 -0.107 0.000 0.340 407 M C -0.977 175.323 176.300 0.000 0.000 1.166 407 M CA 0.762 56.097 55.300 0.057 0.000 1.115 407 M CB -0.015 32.630 32.600 0.075 0.000 1.606 407 M HN 0.819 nan 8.290 nan 0.000 0.448 408 N N 3.539 122.217 118.700 -0.037 0.000 2.425 408 N HA 0.212 4.888 4.740 -0.107 0.000 0.289 408 N C -0.222 175.249 175.510 -0.065 0.000 1.074 408 N CA -0.241 52.769 53.050 -0.067 0.000 0.905 408 N CB 1.415 39.827 38.487 -0.126 0.000 1.586 408 N HN 0.724 nan 8.380 nan 0.000 0.490 409 Q N 0.678 120.449 119.800 -0.049 0.000 2.291 409 Q HA -0.056 4.220 4.340 -0.107 0.000 0.206 409 Q C -0.014 175.968 176.000 -0.032 0.000 0.976 409 Q CA 1.211 56.990 55.803 -0.041 0.000 0.875 409 Q CB 0.364 29.081 28.738 -0.034 0.000 0.927 409 Q HN 0.575 nan 8.270 nan 0.000 0.450 410 D N 0.003 120.376 120.400 -0.045 0.000 2.327 410 D HA 0.029 4.605 4.640 -0.107 0.000 0.205 410 D C 0.054 176.322 176.300 -0.054 0.000 0.989 410 D CA 0.677 54.660 54.000 -0.029 0.000 0.873 410 D CB 0.452 41.236 40.800 -0.025 0.000 0.955 410 D HN 0.082 nan 8.370 nan 0.000 0.515 411 K N 0.790 121.077 120.400 -0.188 0.000 2.753 411 K HA 0.335 4.590 4.320 -0.107 0.000 0.185 411 K C 0.863 177.274 176.600 -0.315 0.000 1.071 411 K CA -0.121 55.828 56.287 -0.563 0.000 0.999 411 K CB 1.487 33.313 32.500 -1.123 0.000 1.244 411 K HN -0.121 nan 8.250 nan 0.000 0.594 412 M N 0.067 119.694 119.600 0.045 0.000 2.074 412 M HA -0.031 4.385 4.480 -0.107 0.000 0.259 412 M C 0.624 177.086 176.300 0.269 0.000 1.079 412 M CA 1.362 56.742 55.300 0.132 0.000 1.119 412 M CB 0.155 32.843 32.600 0.147 0.000 1.297 412 M HN 0.037 nan 8.290 nan 0.000 0.416 413 V N 0.233 120.390 119.914 0.406 0.000 2.531 413 V HA 0.172 4.228 4.120 -0.107 0.000 0.301 413 V C -0.001 176.327 176.094 0.391 0.000 1.034 413 V CA -0.875 61.662 62.300 0.394 0.000 0.865 413 V CB 1.564 33.604 31.823 0.362 0.000 0.995 413 V HN 0.322 nan 8.190 nan 0.000 0.424 414 T N 2.876 117.643 114.554 0.354 0.000 2.946 414 T HA -0.016 4.270 4.350 -0.107 0.000 0.312 414 T C 1.474 176.179 174.700 0.008 0.000 1.066 414 T CA 0.688 62.853 62.100 0.108 0.000 1.138 414 T CB 0.668 69.648 68.868 0.187 0.000 1.014 414 T HN 0.823 nan 8.240 nan 0.000 0.544 415 S N 3.309 118.922 115.700 -0.144 0.000 2.465 415 S HA -0.096 4.310 4.470 -0.107 0.000 0.241 415 S C 1.901 176.529 174.600 0.047 0.000 1.000 415 S CA 0.771 58.937 58.200 -0.057 0.000 0.964 415 S CB -0.169 62.962 63.200 -0.115 0.000 0.763 415 S HN 0.719 nan 8.310 nan 0.000 0.512 416 E N 0.990 121.252 120.200 0.104 0.000 2.153 416 E HA -0.054 4.232 4.350 -0.107 0.000 0.194 416 E C 1.763 178.580 176.600 0.362 0.000 0.988 416 E CA 0.822 57.352 56.400 0.217 0.000 0.811 416 E CB -0.172 29.655 29.700 0.211 0.000 0.746 416 E HN 0.519 nan 8.360 nan 0.000 0.466 417 L N -0.673 120.708 121.223 0.264 0.000 2.425 417 L HA 0.168 4.444 4.340 -0.107 0.000 0.215 417 L C 2.533 179.477 176.870 0.122 0.000 1.065 417 L CA 0.088 55.051 54.840 0.206 0.000 0.842 417 L CB -0.017 42.118 42.059 0.127 0.000 1.033 417 L HN -0.082 nan 8.230 nan 0.000 0.474 418 R N 0.061 120.628 120.500 0.111 0.000 2.200 418 R HA 0.018 4.294 4.340 -0.107 0.000 0.208 418 R C 1.256 177.597 176.300 0.069 0.000 1.033 418 R CA 0.814 56.966 56.100 0.087 0.000 1.000 418 R CB 0.318 30.670 30.300 0.087 0.000 0.906 418 R HN 0.346 nan 8.270 nan 0.000 0.462 419 N N -0.738 118.002 118.700 0.066 0.000 2.266 419 N HA 0.053 4.729 4.740 -0.107 0.000 0.217 419 N C 0.104 175.662 175.510 0.080 0.000 1.211 419 N CA 0.336 53.410 53.050 0.040 0.000 0.881 419 N CB 0.866 39.343 38.487 -0.017 0.000 1.153 419 N HN 0.034 nan 8.380 nan 0.000 0.489 420 K N 0.756 121.245 120.400 0.148 0.000 2.478 420 K HA 0.226 4.482 4.320 -0.107 0.000 0.205 420 K C -0.175 176.725 176.600 0.500 0.000 1.033 420 K CA -0.357 56.074 56.287 0.239 0.000 1.091 420 K CB 0.914 33.426 32.500 0.020 0.000 0.844 420 K HN -0.065 nan 8.250 nan 0.000 0.507 421 L N 1.326 122.762 121.223 0.356 0.000 2.456 421 L HA 0.185 4.460 4.340 -0.107 0.000 0.272 421 L C -0.525 176.492 176.870 0.244 0.000 1.189 421 L CA 0.108 55.044 54.840 0.160 0.000 0.846 421 L CB 0.164 42.207 42.059 -0.025 0.000 1.111 421 L HN 0.020 nan 8.230 nan 0.000 0.475 422 F N 4.787 124.718 119.950 -0.032 0.000 2.415 422 F HA 0.437 4.899 4.527 -0.107 0.000 0.348 422 F C -0.243 175.460 175.800 -0.161 0.000 1.119 422 F CA -0.304 57.651 58.000 -0.075 0.000 1.069 422 F CB 0.782 39.704 39.000 -0.131 0.000 1.124 422 F HN 0.483 nan 8.300 nan 0.000 0.472 423 Q N 7.334 126.556 119.800 -0.963 0.000 2.312 423 Q HA 0.360 4.636 4.340 -0.107 0.000 0.263 423 Q C -2.525 172.861 176.000 -1.024 0.000 0.995 423 Q CA -2.164 53.144 55.803 -0.826 0.000 0.853 423 Q CB 1.903 30.015 28.738 -1.043 0.000 1.300 423 Q HN 0.410 nan 8.270 nan 0.000 0.448 424 P HA -0.014 nan 4.420 nan 0.000 0.265 424 P C -0.231 176.677 177.300 -0.653 0.000 1.193 424 P CA 0.720 63.462 63.100 -0.598 0.000 0.765 424 P CB 0.485 31.916 31.700 -0.447 0.000 0.823 425 T N -0.864 113.305 114.554 -0.642 0.000 6.412 425 T HA -0.156 4.129 4.350 -0.107 0.000 0.279 425 T C 0.304 174.520 174.700 -0.807 0.000 2.177 425 T CA 1.101 62.800 62.100 -0.668 0.000 3.599 425 T CB -1.940 66.519 68.868 -0.682 0.000 1.259 425 T HN 0.606 nan 8.240 nan 0.000 1.146 426 H N 0.084 118.872 119.070 -0.470 0.000 2.573 426 H HA 0.498 4.990 4.556 -0.107 0.000 0.351 426 H C 0.887 175.911 175.328 -0.507 0.000 1.163 426 H CA -0.785 55.077 56.048 -0.309 0.000 1.205 426 H CB 1.429 31.143 29.762 -0.080 0.000 1.605 426 H HN 0.122 nan 8.280 nan 0.000 0.525 427 K N 1.099 121.457 120.400 -0.071 0.000 2.353 427 K HA 0.215 4.471 4.320 -0.107 0.000 0.195 427 K C 0.624 177.495 176.600 0.452 0.000 1.031 427 K CA 0.277 56.613 56.287 0.081 0.000 1.079 427 K CB 0.653 33.302 32.500 0.249 0.000 0.857 427 K HN 0.451 nan 8.250 nan 0.000 0.535 428 I N -2.114 118.618 120.570 0.270 0.000 2.693 428 I HA 0.335 4.441 4.170 -0.107 0.000 0.303 428 I C -0.706 175.667 176.117 0.426 0.000 1.025 428 I CA -1.091 60.446 61.300 0.395 0.000 1.086 428 I CB 1.356 39.500 38.000 0.240 0.000 1.268 428 I HN -0.109 nan 8.210 nan 0.000 0.440 429 H N 3.836 123.209 119.070 0.504 0.000 2.923 429 H HA 0.503 4.995 4.556 -0.107 0.000 0.251 429 H C 0.719 176.219 175.328 0.288 0.000 1.741 429 H CA 0.024 56.375 56.048 0.505 0.000 1.387 429 H CB 0.555 30.620 29.762 0.504 0.000 1.740 429 H HN 0.911 nan 8.280 nan 0.000 0.544 430 G N 0.936 109.930 108.800 0.323 0.000 4.399 430 G HA2 0.077 3.972 3.960 -0.107 0.000 0.268 430 G HA3 0.077 3.972 3.960 -0.107 0.000 0.268 430 G C -0.406 174.483 174.900 -0.019 0.000 1.038 430 G CA -0.159 45.002 45.100 0.103 0.000 0.811 430 G HN 0.193 nan 8.290 nan 0.000 0.408 431 F N 0.617 120.591 119.950 0.040 0.000 2.410 431 F HA 0.639 5.102 4.527 -0.106 0.000 0.324 431 F C -0.207 175.602 175.800 0.015 0.000 1.093 431 F CA -1.039 56.965 58.000 0.006 0.000 1.028 431 F CB 1.632 40.600 39.000 -0.054 0.000 1.309 431 F HN -0.116 nan 8.300 nan 0.000 0.499 432 D N 1.345 121.876 120.400 0.218 0.000 2.469 432 D HA 0.156 4.732 4.640 -0.107 0.000 0.251 432 D C 0.430 176.769 176.300 0.065 0.000 1.173 432 D CA -0.353 53.715 54.000 0.112 0.000 0.882 432 D CB 1.400 42.253 40.800 0.089 0.000 1.129 432 D HN 0.400 nan 8.370 nan 0.000 0.549 433 L N 4.714 125.937 121.223 0.001 0.000 2.131 433 L HA 0.024 4.300 4.340 -0.107 0.000 0.210 433 L C 1.986 178.757 176.870 -0.165 0.000 1.092 433 L CA 2.340 57.112 54.840 -0.113 0.000 0.759 433 L CB -0.527 41.383 42.059 -0.248 0.000 0.903 433 L HN 0.500 nan 8.230 nan 0.000 0.435 434 A N -0.384 122.385 122.820 -0.085 0.000 1.858 434 A HA -0.119 4.137 4.320 -0.107 0.000 0.216 434 A C 2.477 179.973 177.584 -0.148 0.000 1.190 434 A CA 1.917 53.871 52.037 -0.138 0.000 0.617 434 A CB -1.249 17.873 19.000 0.204 0.000 0.827 434 A HN 0.556 nan 8.150 nan 0.000 0.443 435 A N -0.154 122.649 122.820 -0.028 0.000 1.902 435 A HA -0.109 4.147 4.320 -0.107 0.000 0.217 435 A C 2.124 179.660 177.584 -0.081 0.000 1.181 435 A CA 1.593 53.608 52.037 -0.036 0.000 0.623 435 A CB -0.668 18.325 19.000 -0.012 0.000 0.818 435 A HN 0.504 nan 8.150 nan 0.000 0.443 436 I N 0.015 120.571 120.570 -0.024 0.000 2.208 436 I HA -0.317 3.789 4.170 -0.107 0.000 0.245 436 I C 2.252 178.402 176.117 0.054 0.000 1.097 436 I CA 1.712 63.071 61.300 0.099 0.000 1.363 436 I CB -0.517 37.571 38.000 0.145 0.000 1.051 436 I HN 0.461 nan 8.210 nan 0.000 0.413 437 N N 0.492 119.085 118.700 -0.180 0.000 2.142 437 N HA -0.122 4.554 4.740 -0.107 0.000 0.186 437 N C 1.946 177.359 175.510 -0.163 0.000 1.023 437 N CA 0.870 53.741 53.050 -0.299 0.000 0.852 437 N CB -0.026 37.811 38.487 -1.084 0.000 0.998 437 N HN 0.255 nan 8.380 nan 0.000 0.424 438 L N 0.637 121.782 121.223 -0.131 0.000 2.027 438 L HA -0.188 4.088 4.340 -0.107 0.000 0.206 438 L C 2.600 179.448 176.870 -0.037 0.000 1.074 438 L CA 1.132 55.982 54.840 0.017 0.000 0.745 438 L CB -0.350 41.767 42.059 0.096 0.000 0.898 438 L HN 0.175 nan 8.230 nan 0.000 0.433 439 Q N 0.111 119.820 119.800 -0.152 0.000 2.170 439 Q HA -0.231 4.045 4.340 -0.107 0.000 0.203 439 Q C 2.176 178.144 176.000 -0.055 0.000 0.976 439 Q CA 1.461 57.059 55.803 -0.341 0.000 0.858 439 Q CB -0.031 28.131 28.738 -0.961 0.000 0.907 439 Q HN 0.119 nan 8.270 nan 0.000 0.433 440 R N -1.125 119.491 120.500 0.193 0.000 2.115 440 R HA 0.010 4.286 4.340 -0.107 0.000 0.226 440 R C 2.056 178.452 176.300 0.159 0.000 1.100 440 R CA 1.306 57.705 56.100 0.499 0.000 0.980 440 R CB -0.918 29.712 30.300 0.551 0.000 0.875 440 R HN 0.380 nan 8.270 nan 0.000 0.445 441 C N 0.118 119.253 119.300 -0.276 0.000 2.413 441 C HA -0.077 4.319 4.460 -0.107 0.000 0.276 441 C C 2.486 177.363 174.990 -0.188 0.000 1.248 441 C CA 1.175 59.739 59.018 -0.756 0.000 1.742 441 C CB -0.774 26.674 27.740 -0.487 0.000 2.017 441 C HN 0.515 nan 8.230 nan 0.000 0.481 442 R N 0.259 120.795 120.500 0.059 0.000 2.073 442 R HA -0.096 4.180 4.340 -0.107 0.000 0.229 442 R C 1.912 178.377 176.300 0.275 0.000 1.120 442 R CA 1.555 57.780 56.100 0.208 0.000 0.967 442 R CB -0.507 29.986 30.300 0.321 0.000 0.862 442 R HN 0.503 nan 8.270 nan 0.000 0.436 443 D N 0.548 121.190 120.400 0.404 0.000 2.133 443 D HA -0.193 4.383 4.640 -0.107 0.000 0.195 443 D C 1.298 177.869 176.300 0.451 0.000 0.997 443 D CA 1.396 55.670 54.000 0.455 0.000 0.840 443 D CB -0.093 41.144 40.800 0.729 0.000 0.947 443 D HN 0.396 nan 8.370 nan 0.000 0.452 444 H N -1.285 117.940 119.070 0.257 0.000 2.543 444 H HA 0.221 4.713 4.556 -0.107 0.000 0.269 444 H C 1.035 176.369 175.328 0.011 0.000 1.005 444 H CA 0.236 56.425 56.048 0.236 0.000 1.146 444 H CB 0.171 30.175 29.762 0.403 0.000 1.353 444 H HN 0.293 nan 8.280 nan 0.000 0.595 445 G N 1.699 110.436 108.800 -0.104 0.000 2.246 445 G HA2 -0.275 3.620 3.960 -0.107 0.000 0.273 445 G HA3 -0.275 3.620 3.960 -0.107 0.000 0.273 445 G C 0.255 175.026 174.900 -0.215 0.000 1.055 445 G CA -0.141 44.575 45.100 -0.640 0.000 0.851 445 G HN 0.149 nan 8.290 nan 0.000 0.500 446 M N 0.123 119.707 119.600 -0.026 0.000 2.228 446 M HA 0.204 4.620 4.480 -0.107 0.000 0.351 446 M C -1.648 174.726 176.300 0.124 0.000 1.233 446 M CA -1.957 53.399 55.300 0.094 0.000 1.129 446 M CB -0.020 32.580 32.600 -0.001 0.000 1.604 446 M HN -0.021 nan 8.290 nan 0.000 0.457 447 P HA 0.079 nan 4.420 nan 0.000 0.268 447 P C 0.275 177.615 177.300 0.067 0.000 1.208 447 P CA -0.002 63.074 63.100 -0.040 0.000 0.777 447 P CB 0.411 31.841 31.700 -0.449 0.000 0.875 448 G N 0.520 109.308 108.800 -0.020 0.000 2.588 448 G HA2 -0.029 3.867 3.960 -0.107 0.000 0.278 448 G HA3 -0.029 3.867 3.960 -0.107 0.000 0.278 448 G C 0.339 175.333 174.900 0.157 0.000 1.307 448 G CA -0.198 44.936 45.100 0.057 0.000 1.016 448 G HN 0.470 nan 8.290 nan 0.000 0.503 449 Y N 0.166 120.483 120.300 0.029 0.000 2.114 449 Y HA -0.214 4.272 4.550 -0.107 0.000 0.282 449 Y C 2.588 178.538 175.900 0.083 0.000 1.165 449 Y CA 2.533 60.678 58.100 0.074 0.000 1.148 449 Y CB -0.013 38.424 38.460 -0.038 0.000 0.972 449 Y HN 0.393 nan 8.280 nan 0.000 0.504 450 N N -0.520 118.152 118.700 -0.048 0.000 2.409 450 N HA -0.102 4.574 4.740 -0.107 0.000 0.179 450 N C 1.894 177.326 175.510 -0.131 0.000 1.032 450 N CA 1.157 54.109 53.050 -0.163 0.000 0.898 450 N CB -0.205 38.253 38.487 -0.047 0.000 0.971 450 N HN 0.318 nan 8.380 nan 0.000 0.441 451 S N -0.333 115.275 115.700 -0.154 0.000 2.382 451 S HA -0.083 4.323 4.470 -0.107 0.000 0.228 451 S C 1.573 176.006 174.600 -0.279 0.000 1.027 451 S CA 0.797 58.837 58.200 -0.267 0.000 0.991 451 S CB -0.248 62.692 63.200 -0.433 0.000 0.823 451 S HN 0.510 nan 8.310 nan 0.000 0.469 452 W N 1.762 123.047 121.300 -0.025 0.000 2.476 452 W HA 0.094 4.691 4.660 -0.106 0.000 0.281 452 W C 2.495 179.019 176.519 0.009 0.000 1.230 452 W CA -0.283 57.068 57.345 0.010 0.000 1.287 452 W CB -0.043 29.402 29.460 -0.026 0.000 1.108 452 W HN 0.070 nan 8.180 nan 0.000 0.567 453 R N 0.113 120.617 120.500 0.006 0.000 2.083 453 R HA -0.112 4.163 4.340 -0.107 0.000 0.237 453 R C 2.347 178.674 176.300 0.044 0.000 1.137 453 R CA 1.660 57.720 56.100 -0.067 0.000 0.951 453 R CB -1.586 28.556 30.300 -0.264 0.000 0.851 453 R HN 0.344 nan 8.270 nan 0.000 0.434 454 G N 0.218 109.035 108.800 0.028 0.000 2.402 454 G HA2 -0.281 3.615 3.960 -0.107 0.000 0.216 454 G HA3 -0.281 3.615 3.960 -0.107 0.000 0.216 454 G C 1.404 176.366 174.900 0.103 0.000 1.162 454 G CA 0.297 45.420 45.100 0.039 0.000 0.777 454 G HN 0.296 nan 8.290 nan 0.000 0.539 455 F N 0.912 120.867 119.950 0.008 0.000 2.154 455 F HA -0.162 4.300 4.527 -0.108 0.000 0.301 455 F C 2.092 177.960 175.800 0.113 0.000 1.087 455 F CA 1.331 59.378 58.000 0.077 0.000 1.274 455 F CB -0.022 39.094 39.000 0.193 0.000 1.009 455 F HN 0.160 nan 8.300 nan 0.000 0.485 456 c N 0.709 119.477 118.600 0.279 0.000 2.754 456 c HA 0.414 4.919 4.570 -0.107 0.000 0.276 456 c C 1.639 175.818 174.090 0.149 0.000 1.264 456 c CA 0.541 56.984 56.329 0.191 0.000 1.700 456 c CB -1.250 41.393 42.510 0.221 0.000 1.885 456 c HN 0.860 nan 8.230 nan 0.000 0.607 457 G N 1.185 110.033 108.800 0.080 0.000 2.176 457 G HA2 -0.233 3.663 3.960 -0.107 0.000 0.252 457 G HA3 -0.233 3.663 3.960 -0.107 0.000 0.252 457 G C -0.152 174.785 174.900 0.062 0.000 1.024 457 G CA 0.168 45.302 45.100 0.057 0.000 0.755 457 G HN 0.533 nan 8.290 nan 0.000 0.507 458 L N 0.540 121.799 121.223 0.059 0.000 2.332 458 L HA 0.686 4.962 4.340 -0.107 0.000 0.269 458 L C 1.353 178.231 176.870 0.012 0.000 1.016 458 L CA -0.565 54.300 54.840 0.042 0.000 0.809 458 L CB 1.722 43.806 42.059 0.042 0.000 1.280 458 L HN 0.372 nan 8.230 nan 0.000 0.447 459 S N 0.452 116.160 115.700 0.012 0.000 2.573 459 S HA 0.132 4.538 4.470 -0.107 0.000 0.277 459 S C -0.339 174.253 174.600 -0.013 0.000 1.346 459 S CA -0.561 57.643 58.200 0.006 0.000 1.034 459 S CB 0.575 63.786 63.200 0.019 0.000 0.879 459 S HN 0.597 nan 8.310 nan 0.000 0.528 460 Q N 2.420 122.214 119.800 -0.009 0.000 2.462 460 Q HA 0.342 4.618 4.340 -0.107 0.000 0.247 460 Q C -2.380 173.635 176.000 0.025 0.000 1.044 460 Q CA -2.059 53.736 55.803 -0.014 0.000 0.803 460 Q CB 1.138 29.863 28.738 -0.022 0.000 1.190 460 Q HN 0.593 nan 8.270 nan 0.000 0.507 461 P HA -0.019 nan 4.420 nan 0.000 0.268 461 P C -0.229 177.109 177.300 0.064 0.000 1.204 461 P CA -0.089 63.052 63.100 0.069 0.000 0.768 461 P CB 1.192 32.952 31.700 0.101 0.000 0.842 462 K N 0.490 120.918 120.400 0.046 0.000 2.391 462 K HA 0.139 4.394 4.320 -0.107 0.000 0.197 462 K C 1.043 177.665 176.600 0.037 0.000 1.087 462 K CA 0.636 56.949 56.287 0.044 0.000 1.012 462 K CB 0.287 32.810 32.500 0.040 0.000 0.925 462 K HN 0.618 nan 8.250 nan 0.000 0.547 463 T N -2.050 112.522 114.554 0.031 0.000 2.907 463 T HA 0.312 4.598 4.350 -0.107 0.000 0.290 463 T C 1.074 175.783 174.700 0.015 0.000 1.066 463 T CA -0.835 61.278 62.100 0.021 0.000 1.012 463 T CB 1.546 70.427 68.868 0.021 0.000 1.184 463 T HN -0.125 nan 8.240 nan 0.000 0.522 464 L N 0.951 122.177 121.223 0.005 0.000 1.997 464 L HA -0.029 4.247 4.340 -0.107 0.000 0.216 464 L C 2.488 179.362 176.870 0.008 0.000 1.074 464 L CA 2.250 57.090 54.840 0.001 0.000 0.763 464 L CB -0.886 41.171 42.059 -0.003 0.000 0.890 464 L HN 0.869 nan 8.230 nan 0.000 0.434 465 K N -0.428 119.978 120.400 0.011 0.000 2.147 465 K HA -0.036 4.219 4.320 -0.107 0.000 0.205 465 K C 1.954 178.565 176.600 0.018 0.000 1.049 465 K CA 1.406 57.701 56.287 0.012 0.000 0.936 465 K CB -0.857 31.651 32.500 0.013 0.000 0.722 465 K HN 0.465 nan 8.250 nan 0.000 0.446 466 G N 0.723 109.536 108.800 0.023 0.000 2.404 466 G HA2 -0.225 3.671 3.960 -0.107 0.000 0.215 466 G HA3 -0.225 3.671 3.960 -0.107 0.000 0.215 466 G C 1.386 176.310 174.900 0.039 0.000 1.174 466 G CA 0.860 45.979 45.100 0.031 0.000 0.780 466 G HN 0.317 nan 8.290 nan 0.000 0.537 467 L N 0.515 121.760 121.223 0.036 0.000 2.083 467 L HA -0.033 4.243 4.340 -0.107 0.000 0.209 467 L C 2.936 179.818 176.870 0.019 0.000 1.083 467 L CA 1.860 56.721 54.840 0.035 0.000 0.752 467 L CB -0.603 41.462 42.059 0.010 0.000 0.899 467 L HN 0.318 nan 8.230 nan 0.000 0.433 468 Q N -1.372 118.435 119.800 0.012 0.000 2.112 468 Q HA -0.224 4.052 4.340 -0.107 0.000 0.206 468 Q C 1.983 177.991 176.000 0.013 0.000 0.987 468 Q CA 2.326 58.133 55.803 0.007 0.000 0.858 468 Q CB -0.336 28.406 28.738 0.006 0.000 0.905 468 Q HN 0.541 nan 8.270 nan 0.000 0.420 469 T N 0.202 114.768 114.554 0.020 0.000 2.812 469 T HA -0.068 4.218 4.350 -0.107 0.000 0.264 469 T C 2.013 176.731 174.700 0.030 0.000 1.042 469 T CA 1.001 63.114 62.100 0.022 0.000 1.140 469 T CB -0.086 68.796 68.868 0.023 0.000 0.870 469 T HN 0.037 nan 8.240 nan 0.000 0.445 470 V N 1.668 121.608 119.914 0.044 0.000 2.343 470 V HA -0.055 4.000 4.120 -0.107 0.000 0.247 470 V C 2.296 178.420 176.094 0.051 0.000 1.051 470 V CA 1.440 63.778 62.300 0.063 0.000 1.036 470 V CB -0.552 31.340 31.823 0.114 0.000 0.654 470 V HN 0.456 nan 8.190 nan 0.000 0.451 471 L N -0.996 120.245 121.223 0.030 0.000 2.492 471 L HA 0.090 4.366 4.340 -0.107 0.000 0.223 471 L C 1.144 178.015 176.870 0.002 0.000 1.132 471 L CA 0.325 55.168 54.840 0.006 0.000 0.850 471 L CB -0.458 41.588 42.059 -0.023 0.000 0.966 471 L HN 0.324 nan 8.230 nan 0.000 0.454 472 K N 1.169 121.574 120.400 0.008 0.000 3.035 472 K HA -0.212 4.044 4.320 -0.107 0.000 0.262 472 K C -0.161 176.438 176.600 -0.002 0.000 1.024 472 K CA 0.417 56.706 56.287 0.004 0.000 0.748 472 K CB -1.338 31.165 32.500 0.004 0.000 1.247 472 K HN 0.314 nan 8.250 nan 0.000 0.482 473 N N 0.119 118.817 118.700 -0.004 0.000 2.455 473 N HA 0.179 4.855 4.740 -0.107 0.000 0.285 473 N C -0.060 175.446 175.510 -0.006 0.000 1.080 473 N CA -0.637 52.409 53.050 -0.007 0.000 0.932 473 N CB 1.467 39.946 38.487 -0.014 0.000 1.610 473 N HN -0.054 nan 8.380 nan 0.000 0.493 474 K N 2.347 122.745 120.400 -0.003 0.000 2.128 474 K HA 0.262 4.518 4.320 -0.107 0.000 0.202 474 K C 1.583 178.181 176.600 -0.003 0.000 1.050 474 K CA 0.498 56.784 56.287 -0.002 0.000 0.966 474 K CB 0.466 32.967 32.500 0.000 0.000 0.759 474 K HN 0.504 nan 8.250 nan 0.000 0.454 475 I N 1.284 121.852 120.570 -0.002 0.000 2.252 475 I HA -0.257 3.849 4.170 -0.107 0.000 0.245 475 I C 2.337 178.452 176.117 -0.002 0.000 1.102 475 I CA 0.612 61.911 61.300 -0.001 0.000 1.385 475 I CB -0.113 37.888 38.000 0.002 0.000 1.064 475 I HN 0.087 nan 8.210 nan 0.000 0.414 476 L N 1.402 122.621 121.223 -0.006 0.000 1.989 476 L HA -0.185 4.091 4.340 -0.107 0.000 0.211 476 L C 2.595 179.456 176.870 -0.015 0.000 1.071 476 L CA 2.288 57.121 54.840 -0.011 0.000 0.749 476 L CB -0.965 41.081 42.059 -0.022 0.000 0.890 476 L HN 0.200 nan 8.230 nan 0.000 0.431 477 A N -0.674 122.135 122.820 -0.019 0.000 1.948 477 A HA -0.303 3.953 4.320 -0.107 0.000 0.220 477 A C 2.477 180.054 177.584 -0.011 0.000 1.177 477 A CA 2.172 54.196 52.037 -0.021 0.000 0.636 477 A CB -0.702 18.288 19.000 -0.016 0.000 0.815 477 A HN 0.549 nan 8.150 nan 0.000 0.449 478 K N -0.151 120.244 120.400 -0.007 0.000 2.026 478 K HA -0.187 4.069 4.320 -0.107 0.000 0.208 478 K C 2.042 178.639 176.600 -0.004 0.000 1.048 478 K CA 1.829 58.112 56.287 -0.006 0.000 0.929 478 K CB -0.193 32.304 32.500 -0.004 0.000 0.713 478 K HN 0.485 nan 8.250 nan 0.000 0.439 479 K N 0.504 120.905 120.400 0.001 0.000 2.057 479 K HA -0.103 4.153 4.320 -0.107 0.000 0.207 479 K C 2.183 178.796 176.600 0.021 0.000 1.049 479 K CA 1.259 57.549 56.287 0.005 0.000 0.931 479 K CB -0.104 32.403 32.500 0.011 0.000 0.714 479 K HN 0.143 nan 8.250 nan 0.000 0.440 480 L N 0.366 121.616 121.223 0.044 0.000 2.056 480 L HA -0.164 4.111 4.340 -0.107 0.000 0.207 480 L C 2.517 179.462 176.870 0.125 0.000 1.078 480 L CA 0.810 55.727 54.840 0.128 0.000 0.749 480 L CB -0.299 41.794 42.059 0.056 0.000 0.901 480 L HN 0.243 nan 8.230 nan 0.000 0.433 481 M N -0.794 118.826 119.600 0.032 0.000 2.175 481 M HA -0.174 4.242 4.480 -0.107 0.000 0.264 481 M C 1.808 178.081 176.300 -0.044 0.000 1.063 481 M CA 1.486 56.779 55.300 -0.013 0.000 1.119 481 M CB -1.044 31.536 32.600 -0.034 0.000 1.377 481 M HN 0.185 nan 8.290 nan 0.000 0.415 482 D N 0.433 120.812 120.400 -0.035 0.000 2.144 482 D HA -0.071 4.504 4.640 -0.107 0.000 0.199 482 D C 2.236 178.487 176.300 -0.081 0.000 0.984 482 D CA 1.078 55.045 54.000 -0.054 0.000 0.834 482 D CB -0.083 40.695 40.800 -0.036 0.000 0.955 482 D HN 0.315 nan 8.370 nan 0.000 0.465 483 L N -1.021 120.147 121.223 -0.091 0.000 2.102 483 L HA -0.104 4.172 4.340 -0.107 0.000 0.202 483 L C 2.013 178.730 176.870 -0.255 0.000 1.076 483 L CA 0.829 55.545 54.840 -0.208 0.000 0.761 483 L CB -0.195 41.660 42.059 -0.340 0.000 0.921 483 L HN 0.019 nan 8.230 nan 0.000 0.444 484 Y N -0.757 119.484 120.300 -0.098 0.000 2.509 484 Y HA 0.043 4.529 4.550 -0.107 0.000 0.270 484 Y C 1.017 176.769 175.900 -0.246 0.000 1.103 484 Y CA -0.333 57.699 58.100 -0.112 0.000 1.278 484 Y CB 0.371 38.783 38.460 -0.081 0.000 1.087 484 Y HN -0.029 nan 8.280 nan 0.000 0.542 485 K N 0.038 120.319 120.400 -0.199 0.000 3.472 485 K HA -0.226 4.029 4.320 -0.107 0.000 0.315 485 K C 0.076 176.302 176.600 -0.623 0.000 1.320 485 K CA 1.316 57.247 56.287 -0.594 0.000 0.962 485 K CB -2.136 29.569 32.500 -1.325 0.000 1.251 485 K HN 0.409 nan 8.250 nan 0.000 0.443 486 T N -1.826 112.588 114.554 -0.232 0.000 3.003 486 T HA 0.385 4.671 4.350 -0.107 0.000 0.354 486 T C -2.795 171.891 174.700 -0.023 0.000 1.651 486 T CA -0.778 61.277 62.100 -0.075 0.000 1.103 486 T CB 1.937 70.838 68.868 0.055 0.000 1.450 486 T HN -0.279 nan 8.240 nan 0.000 0.484 487 P HA 0.219 nan 4.420 nan 0.000 0.245 487 P C 0.670 178.008 177.300 0.064 0.000 1.203 487 P CA 0.231 63.348 63.100 0.028 0.000 0.792 487 P CB 0.257 32.015 31.700 0.095 0.000 0.997 488 D N -0.783 119.643 120.400 0.044 0.000 2.310 488 D HA -0.065 4.511 4.640 -0.107 0.000 0.212 488 D C 1.096 177.385 176.300 -0.018 0.000 0.965 488 D CA 0.989 55.004 54.000 0.026 0.000 0.879 488 D CB -0.325 40.489 40.800 0.023 0.000 0.921 488 D HN 0.119 nan 8.370 nan 0.000 0.510 489 N N -0.149 118.528 118.700 -0.037 0.000 2.282 489 N HA 0.127 4.802 4.740 -0.107 0.000 0.185 489 N C 0.367 175.739 175.510 -0.231 0.000 1.099 489 N CA -0.137 52.884 53.050 -0.049 0.000 0.878 489 N CB 0.767 39.318 38.487 0.107 0.000 0.993 489 N HN 0.186 nan 8.380 nan 0.000 0.481 490 I N 2.355 122.623 120.570 -0.502 0.000 2.752 490 I HA -0.102 4.004 4.170 -0.107 0.000 0.286 490 I C 0.077 175.937 176.117 -0.429 0.000 1.180 490 I CA 0.307 60.985 61.300 -1.037 0.000 1.404 490 I CB 0.138 37.672 38.000 -0.777 0.000 1.389 490 I HN -0.070 nan 8.210 nan 0.000 0.549 491 D N 6.277 126.477 120.400 -0.332 0.000 2.488 491 D HA -0.079 4.497 4.640 -0.107 0.000 0.238 491 D C 1.170 177.493 176.300 0.039 0.000 1.138 491 D CA 0.021 54.018 54.000 -0.004 0.000 0.873 491 D CB 1.377 42.262 40.800 0.143 0.000 1.183 491 D HN 0.459 nan 8.370 nan 0.000 0.458 492 I N 2.773 123.411 120.570 0.114 0.000 2.248 492 I HA -0.235 3.871 4.170 -0.107 0.000 0.248 492 I C 1.858 178.053 176.117 0.130 0.000 1.107 492 I CA 1.336 62.729 61.300 0.156 0.000 1.373 492 I CB -0.229 37.842 38.000 0.118 0.000 1.055 492 I HN 0.630 nan 8.210 nan 0.000 0.418 493 W N 0.500 121.800 121.300 -0.001 0.000 2.355 493 W HA -0.243 4.352 4.660 -0.108 0.000 0.309 493 W C 2.322 178.874 176.519 0.056 0.000 1.206 493 W CA 2.029 59.408 57.345 0.056 0.000 1.284 493 W CB -0.472 29.044 29.460 0.092 0.000 1.145 493 W HN 0.259 nan 8.180 nan 0.000 0.502 494 I N 0.790 121.328 120.570 -0.053 0.000 2.406 494 I HA 0.097 4.203 4.170 -0.107 0.000 0.249 494 I C 2.430 178.375 176.117 -0.286 0.000 1.122 494 I CA 2.092 63.226 61.300 -0.276 0.000 1.431 494 I CB -1.148 36.876 38.000 0.041 0.000 1.087 494 I HN 0.055 nan 8.210 nan 0.000 0.424 495 G N -0.091 108.556 108.800 -0.256 0.000 2.421 495 G HA2 -0.186 3.710 3.960 -0.107 0.000 0.216 495 G HA3 -0.186 3.710 3.960 -0.107 0.000 0.216 495 G C 1.703 176.491 174.900 -0.186 0.000 1.171 495 G CA 0.603 45.422 45.100 -0.468 0.000 0.775 495 G HN 0.531 nan 8.290 nan 0.000 0.543 496 G N 0.651 109.456 108.800 0.008 0.000 2.422 496 G HA2 -0.192 3.704 3.960 -0.107 0.000 0.218 496 G HA3 -0.192 3.704 3.960 -0.107 0.000 0.218 496 G C 1.636 176.489 174.900 -0.078 0.000 1.146 496 G CA 1.003 46.130 45.100 0.045 0.000 0.769 496 G HN 0.525 nan 8.290 nan 0.000 0.547 497 N N 0.457 119.024 118.700 -0.222 0.000 2.494 497 N HA 0.192 4.868 4.740 -0.107 0.000 0.182 497 N C 2.137 177.536 175.510 -0.186 0.000 1.076 497 N CA 0.563 53.471 53.050 -0.237 0.000 0.908 497 N CB 0.046 38.267 38.487 -0.444 0.000 0.967 497 N HN 0.319 nan 8.380 nan 0.000 0.449 498 A N 0.627 123.333 122.820 -0.191 0.000 2.119 498 A HA -0.019 4.237 4.320 -0.107 0.000 0.216 498 A C 0.600 178.132 177.584 -0.088 0.000 1.152 498 A CA 0.522 52.471 52.037 -0.147 0.000 0.708 498 A CB -0.009 18.880 19.000 -0.185 0.000 0.805 498 A HN 0.261 nan 8.150 nan 0.000 0.460 499 E N 0.851 121.018 120.200 -0.054 0.000 2.354 499 E HA 0.266 4.552 4.350 -0.107 0.000 0.269 499 E C -2.493 174.096 176.600 -0.017 0.000 1.036 499 E CA -2.071 54.325 56.400 -0.007 0.000 0.876 499 E CB 0.199 29.928 29.700 0.048 0.000 1.009 499 E HN 0.163 nan 8.360 nan 0.000 0.416 500 P HA -0.030 nan 4.420 nan 0.000 0.268 500 P C -0.522 176.769 177.300 -0.014 0.000 1.205 500 P CA 0.361 63.453 63.100 -0.012 0.000 0.771 500 P CB 0.461 32.158 31.700 -0.005 0.000 0.858 501 M N 1.874 121.460 119.600 -0.024 0.000 2.245 501 M HA 0.090 4.506 4.480 -0.107 0.000 0.344 501 M C 0.639 176.924 176.300 -0.024 0.000 1.170 501 M CA -0.322 54.957 55.300 -0.034 0.000 1.135 501 M CB 0.133 32.709 32.600 -0.040 0.000 1.574 501 M HN 0.151 nan 8.290 nan 0.000 0.452 502 V N -0.102 119.797 119.914 -0.025 0.000 3.096 502 V HA 0.145 4.201 4.120 -0.107 0.000 0.306 502 V C 0.430 176.511 176.094 -0.022 0.000 1.088 502 V CA -0.828 61.466 62.300 -0.010 0.000 1.129 502 V CB 0.597 32.424 31.823 0.007 0.000 1.014 502 V HN 0.927 nan 8.190 nan 0.000 0.486 503 E N 2.724 122.915 120.200 -0.015 0.000 2.452 503 E HA 0.014 4.300 4.350 -0.107 0.000 0.261 503 E C 0.538 177.118 176.600 -0.033 0.000 0.987 503 E CA 0.339 56.725 56.400 -0.023 0.000 0.926 503 E CB 0.116 29.806 29.700 -0.017 0.000 0.934 503 E HN 0.762 nan 8.360 nan 0.000 0.452 504 R N 1.055 121.528 120.500 -0.045 0.000 3.758 504 R HA -0.213 4.063 4.340 -0.107 0.000 0.299 504 R C 0.084 176.336 176.300 -0.079 0.000 1.182 504 R CA 0.716 56.779 56.100 -0.061 0.000 0.809 504 R CB -1.740 28.529 30.300 -0.052 0.000 1.249 504 R HN 0.686 nan 8.270 nan 0.000 0.497 505 G N -1.478 107.275 108.800 -0.078 0.000 2.949 505 G HA2 0.611 4.507 3.960 -0.107 0.000 0.285 505 G HA3 0.611 4.507 3.960 -0.107 0.000 0.285 505 G C -0.137 174.705 174.900 -0.096 0.000 1.395 505 G CA -0.697 44.346 45.100 -0.096 0.000 0.901 505 G HN 0.024 nan 8.290 nan 0.000 0.519 506 R N -0.673 119.764 120.500 -0.106 0.000 2.566 506 R HA 0.290 4.565 4.340 -0.107 0.000 0.388 506 R C 0.018 176.222 176.300 -0.159 0.000 0.989 506 R CA 0.026 56.089 56.100 -0.062 0.000 1.164 506 R CB 0.474 30.835 30.300 0.101 0.000 1.459 506 R HN 0.618 nan 8.270 nan 0.000 0.553 507 V N -3.994 115.785 119.914 -0.225 0.000 3.130 507 V HA 0.914 4.970 4.120 -0.107 0.000 0.310 507 V C 0.374 176.390 176.094 -0.131 0.000 1.158 507 V CA -1.076 61.072 62.300 -0.254 0.000 1.029 507 V CB 1.693 33.241 31.823 -0.458 0.000 1.057 507 V HN 0.044 nan 8.190 nan 0.000 0.436 508 G N 0.167 108.914 108.800 -0.089 0.000 2.563 508 G HA2 0.551 4.447 3.960 -0.107 0.000 0.283 508 G HA3 0.551 4.447 3.960 -0.107 0.000 0.283 508 G C -1.902 172.998 174.900 0.001 0.000 1.309 508 G CA -1.033 44.051 45.100 -0.027 0.000 1.022 508 G HN 0.635 nan 8.290 nan 0.000 0.501 509 P HA -0.096 nan 4.420 nan 0.000 0.215 509 P C 2.135 179.482 177.300 0.079 0.000 1.153 509 P CA 0.392 63.545 63.100 0.088 0.000 0.853 509 P CB 0.117 31.875 31.700 0.097 0.000 0.788 510 L N -0.776 120.487 121.223 0.067 0.000 1.994 510 L HA -0.152 4.124 4.340 -0.107 0.000 0.208 510 L C 2.217 179.088 176.870 0.001 0.000 1.071 510 L CA 1.882 56.756 54.840 0.057 0.000 0.745 510 L CB -1.458 40.657 42.059 0.094 0.000 0.892 510 L HN -0.125 nan 8.230 nan 0.000 0.431 511 L N -0.639 120.573 121.223 -0.018 0.000 2.083 511 L HA -0.188 4.087 4.340 -0.107 0.000 0.209 511 L C 2.660 179.465 176.870 -0.108 0.000 1.083 511 L CA 1.153 55.954 54.840 -0.065 0.000 0.752 511 L CB -0.994 41.011 42.059 -0.090 0.000 0.899 511 L HN 0.407 nan 8.230 nan 0.000 0.433 512 A N -0.858 121.902 122.820 -0.100 0.000 1.933 512 A HA -0.279 3.977 4.320 -0.107 0.000 0.218 512 A C 2.501 179.872 177.584 -0.356 0.000 1.175 512 A CA 1.838 53.813 52.037 -0.103 0.000 0.628 512 A CB -1.180 17.855 19.000 0.058 0.000 0.814 512 A HN 0.593 nan 8.150 nan 0.000 0.444 513 c N -0.481 117.840 118.600 -0.465 0.000 2.455 513 c HA -0.054 4.452 4.570 -0.107 0.000 0.281 513 c C 2.620 176.334 174.090 -0.626 0.000 1.237 513 c CA 1.259 56.940 56.329 -1.080 0.000 1.726 513 c CB -1.537 40.647 42.510 -0.545 0.000 2.068 513 c HN 0.601 nan 8.230 nan 0.000 0.466 514 L N 0.507 121.617 121.223 -0.188 0.000 2.012 514 L HA -0.180 4.095 4.340 -0.107 0.000 0.210 514 L C 2.645 179.606 176.870 0.151 0.000 1.073 514 L CA 1.625 56.511 54.840 0.077 0.000 0.748 514 L CB -0.693 41.359 42.059 -0.012 0.000 0.891 514 L HN 0.452 nan 8.230 nan 0.000 0.431 515 L N -0.629 120.635 121.223 0.068 0.000 1.994 515 L HA -0.138 4.137 4.340 -0.107 0.000 0.208 515 L C 2.750 179.781 176.870 0.269 0.000 1.071 515 L CA 1.517 56.501 54.840 0.240 0.000 0.745 515 L CB -1.332 40.816 42.059 0.148 0.000 0.892 515 L HN 0.316 nan 8.230 nan 0.000 0.431 516 G N -0.199 108.629 108.800 0.046 0.000 2.476 516 G HA2 -0.283 3.612 3.960 -0.107 0.000 0.218 516 G HA3 -0.283 3.612 3.960 -0.107 0.000 0.218 516 G C 1.746 176.760 174.900 0.189 0.000 1.164 516 G CA 0.802 45.972 45.100 0.117 0.000 0.768 516 G HN 0.277 nan 8.290 nan 0.000 0.560 517 R N -0.435 120.072 120.500 0.011 0.000 2.081 517 R HA -0.073 4.203 4.340 -0.107 0.000 0.235 517 R C 2.687 179.091 176.300 0.173 0.000 1.131 517 R CA 1.548 57.697 56.100 0.080 0.000 0.960 517 R CB -0.316 29.913 30.300 -0.118 0.000 0.856 517 R HN 0.409 nan 8.270 nan 0.000 0.436 518 Q N 0.196 120.141 119.800 0.241 0.000 2.050 518 Q HA -0.136 4.139 4.340 -0.107 0.000 0.202 518 Q C 1.618 177.532 176.000 -0.144 0.000 0.980 518 Q CA 1.770 57.567 55.803 -0.009 0.000 0.840 518 Q CB -0.204 28.165 28.738 -0.614 0.000 0.898 518 Q HN 0.218 nan 8.270 nan 0.000 0.424 519 F N 0.697 120.671 119.950 0.040 0.000 2.234 519 F HA -0.141 4.322 4.527 -0.107 0.000 0.299 519 F C 2.483 178.476 175.800 0.322 0.000 1.087 519 F CA 1.440 59.533 58.000 0.155 0.000 1.340 519 F CB -0.489 38.501 39.000 -0.017 0.000 1.031 519 F HN 0.269 nan 8.300 nan 0.000 0.500 520 Q N 0.761 120.803 119.800 0.403 0.000 2.061 520 Q HA -0.262 4.014 4.340 -0.107 0.000 0.204 520 Q C 1.967 178.085 176.000 0.196 0.000 0.984 520 Q CA 2.009 57.990 55.803 0.298 0.000 0.846 520 Q CB -0.284 28.608 28.738 0.257 0.000 0.902 520 Q HN 0.511 nan 8.270 nan 0.000 0.421 521 Q N -0.019 119.880 119.800 0.165 0.000 2.083 521 Q HA -0.103 4.173 4.340 -0.107 0.000 0.198 521 Q C 2.258 178.338 176.000 0.133 0.000 0.969 521 Q CA 1.387 57.267 55.803 0.128 0.000 0.838 521 Q CB -0.224 28.592 28.738 0.129 0.000 0.900 521 Q HN 0.584 nan 8.270 nan 0.000 0.436 522 I N -1.495 119.155 120.570 0.133 0.000 2.493 522 I HA -0.191 3.915 4.170 -0.107 0.000 0.254 522 I C 2.279 178.517 176.117 0.203 0.000 1.160 522 I CA 1.400 62.810 61.300 0.184 0.000 1.445 522 I CB -0.205 37.908 38.000 0.189 0.000 1.086 522 I HN -0.035 nan 8.210 nan 0.000 0.433 523 R N 0.881 121.369 120.500 -0.019 0.000 2.055 523 R HA -0.104 4.172 4.340 -0.107 0.000 0.226 523 R C 1.723 177.830 176.300 -0.323 0.000 1.135 523 R CA 1.700 57.384 56.100 -0.693 0.000 0.959 523 R CB -0.216 29.405 30.300 -1.133 0.000 0.854 523 R HN 0.320 nan 8.270 nan 0.000 0.431 524 D N -0.452 119.922 120.400 -0.042 0.000 2.178 524 D HA -0.056 4.519 4.640 -0.107 0.000 0.202 524 D C 1.391 177.841 176.300 0.250 0.000 0.974 524 D CA 1.365 55.435 54.000 0.117 0.000 0.841 524 D CB -0.224 40.619 40.800 0.073 0.000 0.953 524 D HN 0.490 nan 8.370 nan 0.000 0.478 525 G N -0.344 108.621 108.800 0.275 0.000 3.181 525 G HA2 -0.040 3.856 3.960 -0.107 0.000 0.219 525 G HA3 -0.040 3.856 3.960 -0.107 0.000 0.219 525 G C -0.104 175.173 174.900 0.628 0.000 1.182 525 G CA -0.210 45.132 45.100 0.404 0.000 0.791 525 G HN 0.014 nan 8.290 nan 0.000 0.537 526 D N -0.150 120.569 120.400 0.531 0.000 2.414 526 D HA 0.208 4.784 4.640 -0.107 0.000 0.232 526 D C 1.329 177.541 176.300 -0.146 0.000 1.070 526 D CA -0.819 53.397 54.000 0.359 0.000 0.839 526 D CB 1.272 42.382 40.800 0.517 0.000 1.079 526 D HN 0.046 nan 8.370 nan 0.000 0.521 527 R N 2.774 122.870 120.500 -0.674 0.000 2.237 527 R HA -0.013 4.263 4.340 -0.107 0.000 0.219 527 R C 0.498 176.250 176.300 -0.913 0.000 1.080 527 R CA 1.094 56.334 56.100 -1.434 0.000 0.995 527 R CB 0.006 29.558 30.300 -1.247 0.000 0.875 527 R HN 0.388 nan 8.270 nan 0.000 0.462 528 F N -0.785 118.998 119.950 -0.279 0.000 2.668 528 F HA 0.173 4.634 4.527 -0.111 0.000 0.301 528 F C 0.287 176.108 175.800 0.036 0.000 1.106 528 F CA -0.932 56.984 58.000 -0.140 0.000 1.289 528 F CB 0.133 39.031 39.000 -0.170 0.000 1.006 528 F HN 0.074 nan 8.300 nan 0.000 0.535 529 W N 3.499 124.825 121.300 0.043 0.000 2.409 529 W HA -0.182 4.429 4.660 -0.082 0.000 0.338 529 W C 1.383 177.962 176.519 0.099 0.000 1.273 529 W CA -0.267 57.110 57.345 0.054 0.000 1.299 529 W CB 0.413 29.814 29.460 -0.099 0.000 1.192 529 W HN 0.544 nan 8.180 nan 0.000 0.565 530 W N 4.693 125.633 121.300 -0.598 0.000 2.331 530 W HA -0.226 4.402 4.660 -0.054 0.000 0.291 530 W C 0.906 177.421 176.519 -0.006 0.000 1.214 530 W CA 1.600 58.861 57.345 -0.139 0.000 1.228 530 W CB -0.742 28.530 29.460 -0.313 0.000 1.135 530 W HN 0.524 nan 8.180 nan 0.000 0.537 531 E N 1.059 120.477 120.200 -1.302 0.000 2.479 531 E HA -0.079 4.207 4.350 -0.107 0.000 0.193 531 E C 0.174 176.733 176.600 -0.069 0.000 1.049 531 E CA -0.306 55.484 56.400 -1.016 0.000 0.870 531 E CB -0.259 28.696 29.700 -1.242 0.000 0.944 531 E HN -0.022 nan 8.360 nan 0.000 0.492 532 N N 1.991 120.771 118.700 0.134 0.000 2.452 532 N HA 0.053 4.729 4.740 -0.107 0.000 0.266 532 N C -2.674 172.897 175.510 0.101 0.000 1.175 532 N CA -1.757 51.455 53.050 0.270 0.000 0.945 532 N CB 0.805 39.413 38.487 0.201 0.000 1.063 532 N HN -0.177 nan 8.380 nan 0.000 0.472 533 P HA 0.054 nan 4.420 nan 0.000 0.261 533 P C 0.665 177.968 177.300 0.005 0.000 1.173 533 P CA 0.907 64.028 63.100 0.034 0.000 0.760 533 P CB 0.415 32.130 31.700 0.024 0.000 0.783 534 G N 1.247 110.044 108.800 -0.005 0.000 2.258 534 G HA2 -0.299 3.597 3.960 -0.107 0.000 0.233 534 G HA3 -0.299 3.597 3.960 -0.107 0.000 0.233 534 G C 1.024 175.880 174.900 -0.074 0.000 1.006 534 G CA 0.214 45.289 45.100 -0.040 0.000 0.620 534 G HN 0.399 nan 8.290 nan 0.000 0.511 535 V N 0.182 120.055 119.914 -0.068 0.000 2.255 535 V HA 0.289 4.344 4.120 -0.107 0.000 0.243 535 V C 1.426 177.331 176.094 -0.316 0.000 1.038 535 V CA 1.951 64.156 62.300 -0.158 0.000 1.008 535 V CB -0.393 31.378 31.823 -0.086 0.000 0.645 535 V HN 0.289 nan 8.190 nan 0.000 0.449 536 F N -0.287 119.679 119.950 0.026 0.000 2.541 536 F HA 0.478 4.977 4.527 -0.047 0.000 0.331 536 F C 0.858 176.623 175.800 -0.057 0.000 1.057 536 F CA -0.724 57.270 58.000 -0.009 0.000 0.975 536 F CB 1.259 40.302 39.000 0.072 0.000 1.246 536 F HN -0.021 nan 8.300 nan 0.000 0.484 537 T N -2.319 112.281 114.554 0.076 0.000 2.828 537 T HA 0.180 4.466 4.350 -0.107 0.000 0.290 537 T C 0.842 175.562 174.700 0.033 0.000 1.019 537 T CA -0.569 61.535 62.100 0.008 0.000 1.031 537 T CB 0.962 69.795 68.868 -0.059 0.000 1.001 537 T HN 0.709 nan 8.240 nan 0.000 0.531 538 E N 0.492 120.706 120.200 0.024 0.000 2.085 538 E HA -0.170 4.115 4.350 -0.107 0.000 0.194 538 E C 2.183 178.803 176.600 0.034 0.000 0.994 538 E CA 1.197 57.619 56.400 0.037 0.000 0.801 538 E CB -0.062 29.655 29.700 0.029 0.000 0.743 538 E HN 0.631 nan 8.360 nan 0.000 0.453 539 K N 0.766 121.168 120.400 0.004 0.000 2.057 539 K HA -0.194 4.062 4.320 -0.107 0.000 0.207 539 K C 2.265 178.854 176.600 -0.018 0.000 1.049 539 K CA 1.223 57.511 56.287 0.002 0.000 0.931 539 K CB -0.164 32.330 32.500 -0.010 0.000 0.714 539 K HN 0.171 nan 8.250 nan 0.000 0.440 540 Q N 0.455 120.172 119.800 -0.139 0.000 2.061 540 Q HA -0.150 4.126 4.340 -0.107 0.000 0.204 540 Q C 2.166 178.164 176.000 -0.004 0.000 0.984 540 Q CA 1.466 57.089 55.803 -0.299 0.000 0.846 540 Q CB -0.089 28.233 28.738 -0.694 0.000 0.902 540 Q HN 0.253 nan 8.270 nan 0.000 0.421 541 R N 0.473 121.024 120.500 0.085 0.000 2.120 541 R HA -0.129 4.147 4.340 -0.107 0.000 0.234 541 R C 1.632 178.066 176.300 0.223 0.000 1.123 541 R CA 1.226 57.471 56.100 0.242 0.000 0.975 541 R CB -0.177 30.274 30.300 0.253 0.000 0.866 541 R HN 0.330 nan 8.270 nan 0.000 0.446 542 D N 0.218 120.702 120.400 0.141 0.000 2.117 542 D HA -0.086 4.490 4.640 -0.107 0.000 0.197 542 D C 1.908 178.276 176.300 0.114 0.000 0.987 542 D CA 1.236 55.308 54.000 0.121 0.000 0.829 542 D CB -0.108 40.745 40.800 0.087 0.000 0.961 542 D HN 0.017 nan 8.370 nan 0.000 0.460 543 S N 0.300 116.081 115.700 0.135 0.000 2.356 543 S HA -0.067 4.339 4.470 -0.107 0.000 0.223 543 S C 2.198 176.851 174.600 0.088 0.000 1.032 543 S CA 0.492 58.781 58.200 0.148 0.000 1.005 543 S CB -0.217 63.165 63.200 0.305 0.000 0.867 543 S HN 0.245 nan 8.310 nan 0.000 0.449 544 L N 1.227 122.498 121.223 0.081 0.000 2.187 544 L HA -0.154 4.122 4.340 -0.107 0.000 0.213 544 L C 2.620 179.383 176.870 -0.179 0.000 1.100 544 L CA 1.003 55.782 54.840 -0.101 0.000 0.765 544 L CB -0.456 41.448 42.059 -0.258 0.000 0.904 544 L HN 0.276 nan 8.230 nan 0.000 0.437 545 Q N 0.639 120.409 119.800 -0.049 0.000 2.291 545 Q HA -0.176 4.099 4.340 -0.107 0.000 0.206 545 Q C 1.830 177.809 176.000 -0.035 0.000 0.976 545 Q CA 1.484 57.274 55.803 -0.021 0.000 0.875 545 Q CB 0.011 28.811 28.738 0.104 0.000 0.927 545 Q HN 0.348 nan 8.270 nan 0.000 0.450 546 K N -0.299 120.084 120.400 -0.028 0.000 2.426 546 K HA 0.076 4.332 4.320 -0.107 0.000 0.193 546 K C 0.365 176.941 176.600 -0.040 0.000 1.028 546 K CA 0.426 56.699 56.287 -0.023 0.000 1.047 546 K CB 0.165 32.661 32.500 -0.008 0.000 0.821 546 K HN 0.218 nan 8.250 nan 0.000 0.513 547 V N 0.633 120.513 119.914 -0.057 0.000 3.061 547 V HA 0.065 4.121 4.120 -0.107 0.000 0.306 547 V C 0.000 176.081 176.094 -0.022 0.000 1.118 547 V CA -0.343 61.960 62.300 0.004 0.000 1.231 547 V CB 0.901 32.776 31.823 0.088 0.000 0.956 547 V HN 0.266 nan 8.190 nan 0.000 0.499 548 S N 2.363 118.102 115.700 0.065 0.000 2.547 548 S HA 0.513 4.919 4.470 -0.107 0.000 0.270 548 S C -0.304 174.348 174.600 0.087 0.000 1.150 548 S CA -0.307 57.884 58.200 -0.014 0.000 0.850 548 S CB 1.157 64.318 63.200 -0.065 0.000 1.118 548 S HN 0.866 nan 8.310 nan 0.000 0.461 549 F N 2.018 121.877 119.950 -0.153 0.000 2.325 549 F HA 0.036 4.506 4.527 -0.095 0.000 0.299 549 F C 2.356 178.098 175.800 -0.096 0.000 1.090 549 F CA 1.727 59.672 58.000 -0.091 0.000 1.392 549 F CB -0.106 38.678 39.000 -0.359 0.000 1.053 549 F HN 0.669 nan 8.300 nan 0.000 0.521 550 S N 0.044 115.765 115.700 0.035 0.000 2.368 550 S HA -0.220 4.186 4.470 -0.107 0.000 0.225 550 S C 1.949 176.511 174.600 -0.062 0.000 1.030 550 S CA 1.316 59.505 58.200 -0.019 0.000 0.999 550 S CB -0.306 62.841 63.200 -0.088 0.000 0.844 550 S HN 0.266 nan 8.310 nan 0.000 0.459 551 R N 1.313 121.764 120.500 -0.081 0.000 2.092 551 R HA 0.098 4.373 4.340 -0.107 0.000 0.231 551 R C 2.080 178.271 176.300 -0.181 0.000 1.119 551 R CA 0.833 56.869 56.100 -0.106 0.000 0.970 551 R CB -0.902 29.343 30.300 -0.092 0.000 0.864 551 R HN 0.373 nan 8.270 nan 0.000 0.440 552 L N 0.162 121.223 121.223 -0.270 0.000 2.043 552 L HA -0.129 4.146 4.340 -0.107 0.000 0.212 552 L C 1.958 178.619 176.870 -0.349 0.000 1.075 552 L CA 1.797 56.365 54.840 -0.452 0.000 0.752 552 L CB -0.278 41.337 42.059 -0.740 0.000 0.891 552 L HN 0.281 nan 8.230 nan 0.000 0.432 553 I N -1.773 118.639 120.570 -0.264 0.000 2.202 553 I HA -0.342 3.764 4.170 -0.107 0.000 0.242 553 I C 2.503 178.571 176.117 -0.081 0.000 1.091 553 I CA 1.241 62.465 61.300 -0.127 0.000 1.368 553 I CB -0.500 37.506 38.000 0.010 0.000 1.058 553 I HN 0.367 nan 8.210 nan 0.000 0.410 554 c N 0.734 119.296 118.600 -0.064 0.000 2.401 554 c HA -0.204 4.302 4.570 -0.107 0.000 0.276 554 c C 2.356 176.412 174.090 -0.057 0.000 1.233 554 c CA 0.961 57.269 56.329 -0.035 0.000 1.753 554 c CB -1.057 41.435 42.510 -0.030 0.000 2.029 554 c HN 0.524 nan 8.230 nan 0.000 0.478 555 D N 0.085 120.421 120.400 -0.106 0.000 2.277 555 D HA -0.022 4.554 4.640 -0.107 0.000 0.208 555 D C 1.245 177.471 176.300 -0.123 0.000 0.962 555 D CA 0.959 54.888 54.000 -0.118 0.000 0.865 555 D CB -0.383 40.318 40.800 -0.166 0.000 0.939 555 D HN 0.552 nan 8.370 nan 0.000 0.510 556 N N -0.083 118.531 118.700 -0.143 0.000 2.299 556 N HA 0.047 4.723 4.740 -0.107 0.000 0.246 556 N C -0.099 175.315 175.510 -0.160 0.000 1.254 556 N CA 0.141 53.097 53.050 -0.157 0.000 0.879 556 N CB 1.737 40.110 38.487 -0.190 0.000 1.214 556 N HN 0.181 nan 8.380 nan 0.000 0.510 557 T N -3.614 110.862 114.554 -0.130 0.000 2.754 557 T HA 0.339 4.625 4.350 -0.107 0.000 0.296 557 T C 0.057 174.711 174.700 -0.077 0.000 1.205 557 T CA -0.516 61.493 62.100 -0.152 0.000 1.009 557 T CB 1.410 70.230 68.868 -0.080 0.000 1.368 557 T HN 0.079 nan 8.240 nan 0.000 0.509 558 H N -0.632 118.431 119.070 -0.012 0.000 2.537 558 H HA 0.431 4.922 4.556 -0.108 0.000 0.295 558 H C 0.030 175.367 175.328 0.015 0.000 1.054 558 H CA -0.502 55.551 56.048 0.008 0.000 1.156 558 H CB -0.086 29.705 29.762 0.048 0.000 1.468 558 H HN 0.285 nan 8.280 nan 0.000 0.551 559 I N 1.882 122.516 120.570 0.106 0.000 2.471 559 I HA -0.037 4.069 4.170 -0.107 0.000 0.286 559 I C 1.187 177.372 176.117 0.114 0.000 1.079 559 I CA 0.288 61.647 61.300 0.098 0.000 1.398 559 I CB 1.272 39.329 38.000 0.096 0.000 1.403 559 I HN 0.272 nan 8.210 nan 0.000 0.530 560 T N 1.330 115.964 114.554 0.133 0.000 3.040 560 T HA 0.287 4.573 4.350 -0.107 0.000 0.266 560 T C 0.357 175.157 174.700 0.168 0.000 1.005 560 T CA -0.347 61.827 62.100 0.123 0.000 0.906 560 T CB 0.031 68.956 68.868 0.094 0.000 1.082 560 T HN 0.426 nan 8.240 nan 0.000 0.531 561 K N 1.831 122.385 120.400 0.257 0.000 2.502 561 K HA 0.658 4.913 4.320 -0.107 0.000 0.254 561 K C -1.047 175.848 176.600 0.491 0.000 0.947 561 K CA -0.814 55.688 56.287 0.358 0.000 0.834 561 K CB 2.735 35.504 32.500 0.449 0.000 1.112 561 K HN 0.231 nan 8.250 nan 0.000 0.427 562 V N -0.238 119.861 119.914 0.309 0.000 3.078 562 V HA 0.706 4.762 4.120 -0.107 0.000 0.311 562 V C -2.840 173.062 176.094 -0.321 0.000 1.138 562 V CA -2.644 59.703 62.300 0.078 0.000 1.007 562 V CB 1.986 33.833 31.823 0.040 0.000 1.045 562 V HN 0.530 nan 8.190 nan 0.000 0.432 563 P HA 0.462 nan 4.420 nan 0.000 0.278 563 P C 0.495 177.565 177.300 -0.383 0.000 1.258 563 P CA -0.508 62.200 63.100 -0.653 0.000 0.811 563 P CB 2.019 33.271 31.700 -0.746 0.000 1.063 564 L N 0.136 121.127 121.223 -0.386 0.000 2.209 564 L HA 0.017 4.293 4.340 -0.107 0.000 0.207 564 L C 0.966 177.464 176.870 -0.620 0.000 1.094 564 L CA 1.027 55.573 54.840 -0.490 0.000 0.790 564 L CB -0.403 41.298 42.059 -0.598 0.000 0.932 564 L HN 0.413 nan 8.230 nan 0.000 0.447 565 H N -0.473 118.490 119.070 -0.178 0.000 2.643 565 H HA 0.326 4.818 4.556 -0.106 0.000 0.259 565 H C 0.743 175.954 175.328 -0.195 0.000 1.298 565 H CA -0.127 55.824 56.048 -0.163 0.000 1.301 565 H CB 1.270 30.966 29.762 -0.111 0.000 1.422 565 H HN 0.057 nan 8.280 nan 0.000 0.521 566 A N 2.276 124.964 122.820 -0.219 0.000 2.066 566 A HA -0.073 4.183 4.320 -0.107 0.000 0.218 566 A C 1.249 178.734 177.584 -0.165 0.000 1.157 566 A CA 0.655 52.539 52.037 -0.254 0.000 0.670 566 A CB -0.352 18.465 19.000 -0.304 0.000 0.804 566 A HN 0.322 nan 8.150 nan 0.000 0.453 567 F N 0.627 120.557 119.950 -0.034 0.000 2.456 567 F HA 0.042 4.509 4.527 -0.101 0.000 0.298 567 F C 1.635 177.416 175.800 -0.031 0.000 1.104 567 F CA 0.187 58.194 58.000 0.012 0.000 1.435 567 F CB -0.690 38.354 39.000 0.073 0.000 1.078 567 F HN 0.495 nan 8.300 nan 0.000 0.546 568 Q N 0.876 120.746 119.800 0.118 0.000 2.382 568 Q HA 0.530 4.806 4.340 -0.107 0.000 0.229 568 Q C -0.073 175.948 176.000 0.034 0.000 1.006 568 Q CA -0.529 55.291 55.803 0.028 0.000 0.916 568 Q CB 0.820 29.558 28.738 -0.001 0.000 1.235 568 Q HN 0.122 nan 8.270 nan 0.000 0.512 569 A N 2.204 125.037 122.820 0.021 0.000 2.451 569 A HA 0.240 4.495 4.320 -0.107 0.000 0.266 569 A C -0.880 176.732 177.584 0.048 0.000 1.119 569 A CA -0.349 51.719 52.037 0.052 0.000 0.786 569 A CB -0.577 18.453 19.000 0.050 0.000 1.061 569 A HN 0.787 nan 8.150 nan 0.000 0.503 570 N N 2.216 120.962 118.700 0.076 0.000 2.314 570 N HA 0.384 5.059 4.740 -0.107 0.000 0.294 570 N C -1.229 174.444 175.510 0.273 0.000 1.029 570 N CA -0.690 52.408 53.050 0.079 0.000 0.845 570 N CB 1.506 39.918 38.487 -0.124 0.000 1.321 570 N HN 0.653 nan 8.380 nan 0.000 0.481 571 N N 1.200 120.064 118.700 0.273 0.000 2.362 571 N HA 0.189 4.865 4.740 -0.107 0.000 0.298 571 N C -1.432 174.263 175.510 0.308 0.000 1.048 571 N CA -0.387 52.830 53.050 0.278 0.000 0.858 571 N CB 1.631 40.225 38.487 0.179 0.000 1.218 571 N HN 0.495 nan 8.380 nan 0.000 0.488 572 Y N 3.343 123.589 120.300 -0.091 0.000 2.308 572 Y HA 0.365 4.850 4.550 -0.109 0.000 0.329 572 Y C -1.250 174.584 175.900 -0.110 0.000 1.111 572 Y CA -1.311 56.543 58.100 -0.411 0.000 1.179 572 Y CB 1.119 38.957 38.460 -1.036 0.000 1.201 572 Y HN 0.474 nan 8.280 nan 0.000 0.483 573 P HA 0.002 nan 4.420 nan 0.000 0.264 573 P C 0.810 177.987 177.300 -0.204 0.000 1.259 573 P CA 0.664 63.154 63.100 -1.017 0.000 0.841 573 P CB 0.276 31.302 31.700 -1.123 0.000 1.232 574 H N 2.094 121.085 119.070 -0.132 0.000 2.319 574 H HA -0.130 4.363 4.556 -0.105 0.000 0.297 574 H C 0.994 176.342 175.328 0.034 0.000 1.097 574 H CA 2.075 58.102 56.048 -0.034 0.000 1.285 574 H CB -0.429 29.325 29.762 -0.014 0.000 1.368 574 H HN -0.033 nan 8.280 nan 0.000 0.495 575 D N -0.743 119.645 120.400 -0.019 0.000 2.339 575 D HA 0.025 4.601 4.640 -0.107 0.000 0.217 575 D C -0.438 175.794 176.300 -0.113 0.000 1.050 575 D CA 0.086 53.991 54.000 -0.158 0.000 0.856 575 D CB -0.073 40.662 40.800 -0.108 0.000 0.922 575 D HN 0.159 nan 8.370 nan 0.000 0.518 576 F N 0.779 120.656 119.950 -0.122 0.000 2.422 576 F HA 0.301 4.766 4.527 -0.104 0.000 0.333 576 F C 0.659 176.433 175.800 -0.043 0.000 1.095 576 F CA -1.257 56.708 58.000 -0.058 0.000 1.038 576 F CB 1.466 40.487 39.000 0.036 0.000 1.156 576 F HN -0.315 nan 8.300 nan 0.000 0.483 577 V N -0.931 119.038 119.914 0.092 0.000 3.046 577 V HA 0.547 4.602 4.120 -0.107 0.000 0.316 577 V C -0.564 175.589 176.094 0.098 0.000 1.104 577 V CA -0.980 61.357 62.300 0.061 0.000 1.006 577 V CB 1.887 33.700 31.823 -0.017 0.000 1.058 577 V HN 0.682 nan 8.190 nan 0.000 0.440 578 D N 0.520 120.965 120.400 0.074 0.000 2.372 578 D HA 0.133 4.709 4.640 -0.107 0.000 0.243 578 D C 1.125 177.452 176.300 0.045 0.000 1.121 578 D CA 0.137 54.182 54.000 0.076 0.000 0.898 578 D CB 1.818 42.653 40.800 0.058 0.000 1.202 578 D HN 0.785 nan 8.370 nan 0.000 0.428 579 c N 1.736 120.366 118.600 0.050 0.000 2.403 579 c HA -0.161 4.345 4.570 -0.107 0.000 0.277 579 c C 2.792 176.884 174.090 0.002 0.000 1.248 579 c CA 0.901 57.243 56.329 0.021 0.000 1.762 579 c CB -1.021 41.504 42.510 0.026 0.000 2.014 579 c HN 0.656 nan 8.230 nan 0.000 0.486 580 S N 0.447 116.152 115.700 0.009 0.000 2.407 580 S HA -0.219 4.187 4.470 -0.107 0.000 0.235 580 S C 1.854 176.450 174.600 -0.007 0.000 1.036 580 S CA 2.094 60.294 58.200 -0.000 0.000 1.013 580 S CB -0.643 62.561 63.200 0.006 0.000 0.820 580 S HN 0.924 nan 8.310 nan 0.000 0.476 581 T N -0.747 113.802 114.554 -0.008 0.000 3.129 581 T HA 0.216 4.502 4.350 -0.107 0.000 0.251 581 T C 0.357 175.038 174.700 -0.032 0.000 1.117 581 T CA -0.133 61.957 62.100 -0.017 0.000 1.034 581 T CB -0.237 68.621 68.868 -0.016 0.000 0.968 581 T HN 0.049 nan 8.240 nan 0.000 0.526 582 V N 3.093 122.986 119.914 -0.036 0.000 2.407 582 V HA 0.291 4.346 4.120 -0.107 0.000 0.278 582 V C -0.216 175.851 176.094 -0.046 0.000 1.037 582 V CA -1.203 61.066 62.300 -0.052 0.000 0.900 582 V CB 1.102 32.889 31.823 -0.060 0.000 0.983 582 V HN 0.392 nan 8.190 nan 0.000 0.459 583 D N 4.143 124.515 120.400 -0.046 0.000 2.571 583 D HA 0.064 4.640 4.640 -0.107 0.000 0.231 583 D C 0.228 176.502 176.300 -0.043 0.000 1.133 583 D CA 0.694 54.672 54.000 -0.037 0.000 0.862 583 D CB 0.577 41.359 40.800 -0.030 0.000 1.179 583 D HN 0.465 nan 8.370 nan 0.000 0.474 584 K N 0.819 121.196 120.400 -0.040 0.000 2.095 584 K HA 0.392 4.648 4.320 -0.107 0.000 0.252 584 K C -0.225 176.344 176.600 -0.051 0.000 0.977 584 K CA -1.098 55.157 56.287 -0.053 0.000 0.900 584 K CB 1.210 33.680 32.500 -0.050 0.000 1.060 584 K HN 0.197 nan 8.250 nan 0.000 0.449 585 L N 2.233 123.409 121.223 -0.077 0.000 2.278 585 L HA 0.127 4.402 4.340 -0.107 0.000 0.287 585 L C -0.593 176.234 176.870 -0.071 0.000 1.072 585 L CA 0.048 54.839 54.840 -0.081 0.000 0.819 585 L CB 0.342 42.315 42.059 -0.143 0.000 1.176 585 L HN 0.432 nan 8.230 nan 0.000 0.435 586 D N 4.854 125.250 120.400 -0.006 0.000 2.365 586 D HA 0.095 4.671 4.640 -0.107 0.000 0.237 586 D C 0.782 177.132 176.300 0.083 0.000 1.190 586 D CA 0.094 54.112 54.000 0.029 0.000 0.867 586 D CB 0.624 41.462 40.800 0.063 0.000 1.050 586 D HN 0.682 nan 8.370 nan 0.000 0.491 587 L N 2.713 123.936 121.223 -0.000 0.000 2.599 587 L HA -0.019 4.257 4.340 -0.107 0.000 0.230 587 L C 2.010 179.040 176.870 0.267 0.000 1.141 587 L CA -0.035 54.816 54.840 0.018 0.000 0.877 587 L CB -0.085 41.835 42.059 -0.231 0.000 1.009 587 L HN 0.294 nan 8.230 nan 0.000 0.447 588 S N 0.998 116.810 115.700 0.187 0.000 2.387 588 S HA -0.106 4.300 4.470 -0.107 0.000 0.230 588 S C -0.593 174.136 174.600 0.215 0.000 1.035 588 S CA 1.263 59.556 58.200 0.155 0.000 1.014 588 S CB -0.877 62.376 63.200 0.088 0.000 0.836 588 S HN 0.368 nan 8.310 nan 0.000 0.466 589 P HA -0.062 nan 4.420 nan 0.000 0.228 589 P C 0.614 177.969 177.300 0.092 0.000 1.151 589 P CA 0.721 63.905 63.100 0.140 0.000 0.770 589 P CB -0.119 31.603 31.700 0.037 0.000 0.786 590 W N -0.313 121.035 121.300 0.081 0.000 3.256 590 W HA 0.336 4.955 4.660 -0.068 0.000 0.269 590 W C 0.500 177.024 176.519 0.007 0.000 1.310 590 W CA -0.462 56.954 57.345 0.120 0.000 1.673 590 W CB -0.072 29.475 29.460 0.144 0.000 1.115 590 W HN -0.118 nan 8.180 nan 0.000 0.686 591 A N 1.857 124.765 122.820 0.146 0.000 2.522 591 A HA 0.235 4.491 4.320 -0.107 0.000 0.256 591 A C 0.528 178.133 177.584 0.035 0.000 1.086 591 A CA 0.434 52.478 52.037 0.012 0.000 0.763 591 A CB -0.085 18.927 19.000 0.019 0.000 1.024 591 A HN 0.094 nan 8.150 nan 0.000 0.502 592 S N 3.149 118.850 115.700 0.001 0.000 2.449 592 S HA 0.768 5.174 4.470 -0.107 0.000 0.310 592 S C -0.332 174.362 174.600 0.156 0.000 1.096 592 S CA -0.872 57.422 58.200 0.157 0.000 1.095 592 S CB 1.624 65.056 63.200 0.388 0.000 1.007 592 S HN 0.843 nan 8.310 nan 0.000 0.474 593 R N 1.385 121.952 120.500 0.112 0.000 2.604 593 R HA 0.320 4.596 4.340 -0.107 0.000 0.281 593 R C 0.066 176.387 176.300 0.034 0.000 1.020 593 R CA -0.479 55.644 56.100 0.037 0.000 0.899 593 R CB 1.210 31.516 30.300 0.010 0.000 1.205 593 R HN 0.904 nan 8.270 nan 0.000 0.450 594 E N 2.216 122.413 120.200 -0.005 0.000 2.434 594 E HA 0.133 4.419 4.350 -0.107 0.000 0.207 594 E C 0.014 176.608 176.600 -0.011 0.000 0.929 594 E CA -0.097 56.304 56.400 0.003 0.000 1.001 594 E CB 0.663 30.361 29.700 -0.004 0.000 1.016 594 E HN 0.484 nan 8.360 nan 0.000 0.502 595 N N 0.000 118.682 118.700 -0.030 0.000 1.763 595 N HA 0.000 4.676 4.740 -0.107 0.000 0.220 595 N CA 0.000 53.034 53.050 -0.027 0.000 0.885 595 N CB 0.000 38.469 38.487 -0.030 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667