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 2xeg_1_A DATA FIRST_RESID 55 DATA SEQUENCE KHNMKAFLDE LKAENIKKFL YNFTQIPHLA GTEQNFQLAK QIQSQWKEFG DATA SEQUENCE LDSVELAHYD VLLSYPNKTH PNYISIINED GNEIFNTSLF EPPPPGYENV DATA SEQUENCE SDIVPPFSAF SPQGMPEGDL VYVNYARTED FFKLERDMKI NCSGKIVIAR DATA SEQUENCE YGKVFRGNKV KNAQLAGAKG VILYSDPADY FAPGVKSYPD GWNLPGGGVQ DATA SEQUENCE RGNILNLNGA GDPLTPGYPA NEYAYRRGIA EAVGLPSIPV HPIGYYDAQK DATA SEQUENCE LLEKMGGSAP PDSSWRGSLK VPYNVGPGFT GNFSTQKVKM HIHSTNEVTR DATA SEQUENCE IYNVIGTLRG AVEPDRYVIL GGHRDSWVFG GIDPQSGAAV VHEIVRSFGT DATA SEQUENCE LKKEGWRPRR TILFASWDAE EFGLLGSTEW AEENSRLLQE RGVAYINADS DATA SEQUENCE SIEGNYTLRV DCTPLMYSLV HNLTKELKSP DEGFEGKSLY ESWTKKSPSP DATA SEQUENCE EFSGMPRISK LGSGNDFEVF FQRLGIASGR ARYTKNWETN KFSGYPLYHS DATA SEQUENCE VYETYELVEK FYDPMFKYHL TVAQVRGGMV FELANSIVQP FDCRDYAVVL DATA SEQUENCE RKYADKIYSI SMKHPQEMKT YSVSFDSLFS AVKNFTEIAS KFSERLQDFX DATA SEQUENCE XSNPIVLRMM NDQLMFLERA FIDPLGLPDR PFYRHVIYAP SSHNKYAGES DATA SEQUENCE FPGIYDALFD IESKVDPSKA WGEVKRQIYV AAFTVQAAAE TLSEVA 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 55 K HA 0.000 nan 4.320 nan 0.000 0.191 55 K C 0.000 176.503 176.600 -0.163 0.000 0.988 55 K CA 0.000 56.198 56.287 -0.149 0.000 0.838 55 K CB 0.000 32.469 32.500 -0.052 0.000 1.064 56 H N 3.471 122.555 119.070 0.024 0.000 2.724 56 H HA 0.355 4.911 4.556 -0.001 0.000 0.278 56 H C 0.081 175.411 175.328 0.003 0.000 1.159 56 H CA -0.200 55.811 56.048 -0.062 0.000 1.254 56 H CB 0.311 30.061 29.762 -0.019 0.000 1.412 56 H HN 0.642 nan 8.280 nan 0.000 0.488 57 N N 0.789 119.521 118.700 0.053 0.000 3.278 57 N HA 0.169 4.908 4.740 -0.001 0.000 0.307 57 N C 0.778 176.097 175.510 -0.318 0.000 1.551 57 N CA -0.837 52.248 53.050 0.058 0.000 0.794 57 N CB 1.532 40.036 38.487 0.029 0.000 1.770 57 N HN 0.173 nan 8.380 nan 0.000 0.612 58 M N 0.445 119.683 119.600 -0.604 0.000 2.229 58 M HA -0.080 4.400 4.480 -0.001 0.000 0.264 58 M C 2.090 178.095 176.300 -0.493 0.000 1.063 58 M CA 1.538 56.150 55.300 -1.146 0.000 1.114 58 M CB -0.218 31.781 32.600 -1.002 0.000 1.387 58 M HN 0.650 nan 8.290 nan 0.000 0.420 59 K N 0.206 120.435 120.400 -0.286 0.000 2.103 59 K HA -0.168 4.152 4.320 -0.001 0.000 0.207 59 K C 1.741 178.219 176.600 -0.203 0.000 1.048 59 K CA 1.524 57.693 56.287 -0.197 0.000 0.930 59 K CB -0.109 32.312 32.500 -0.132 0.000 0.716 59 K HN 0.390 nan 8.250 nan 0.000 0.444 60 A N 0.857 123.565 122.820 -0.187 0.000 1.902 60 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 60 A C 1.979 179.435 177.584 -0.212 0.000 1.181 60 A CA 1.407 53.350 52.037 -0.157 0.000 0.623 60 A CB -0.815 18.134 19.000 -0.085 0.000 0.818 60 A HN 0.541 nan 8.150 nan 0.000 0.443 61 F N 0.791 120.502 119.950 -0.399 0.000 2.102 61 F HA -0.154 4.372 4.527 -0.001 0.000 0.298 61 F C 1.843 177.420 175.800 -0.372 0.000 1.105 61 F CA 1.862 59.593 58.000 -0.447 0.000 1.239 61 F CB -0.409 38.249 39.000 -0.570 0.000 0.991 61 F HN 0.136 nan 8.300 nan 0.000 0.474 62 L N 0.033 120.909 121.223 -0.578 0.000 2.083 62 L HA -0.206 4.134 4.340 -0.001 0.000 0.209 62 L C 2.021 178.622 176.870 -0.449 0.000 1.083 62 L CA 1.425 55.930 54.840 -0.559 0.000 0.752 62 L CB -0.846 41.056 42.059 -0.261 0.000 0.899 62 L HN 0.090 nan 8.230 nan 0.000 0.433 63 D N -0.445 119.753 120.400 -0.337 0.000 2.269 63 D HA -0.168 4.472 4.640 -0.001 0.000 0.208 63 D C 2.056 178.196 176.300 -0.267 0.000 0.963 63 D CA 0.752 54.602 54.000 -0.250 0.000 0.864 63 D CB 0.119 40.808 40.800 -0.186 0.000 0.936 63 D HN 0.239 nan 8.370 nan 0.000 0.505 64 E N 0.184 120.181 120.200 -0.338 0.000 2.208 64 E HA -0.019 4.330 4.350 -0.001 0.000 0.193 64 E C 0.322 176.726 176.600 -0.327 0.000 0.988 64 E CA 0.133 56.350 56.400 -0.305 0.000 0.828 64 E CB -0.078 29.439 29.700 -0.303 0.000 0.763 64 E HN 0.209 nan 8.360 nan 0.000 0.478 65 L N 1.789 122.762 121.223 -0.416 0.000 2.490 65 L HA 0.094 4.434 4.340 -0.001 0.000 0.274 65 L C 0.166 176.895 176.870 -0.234 0.000 1.201 65 L CA 0.314 54.952 54.840 -0.337 0.000 0.869 65 L CB 0.314 42.150 42.059 -0.373 0.000 1.123 65 L HN -0.077 nan 8.230 nan 0.000 0.484 66 K N 2.144 122.425 120.400 -0.197 0.000 2.443 66 K HA 0.389 4.709 4.320 -0.001 0.000 0.252 66 K C 0.451 176.954 176.600 -0.162 0.000 0.933 66 K CA -0.465 55.715 56.287 -0.178 0.000 0.792 66 K CB 1.957 34.338 32.500 -0.198 0.000 1.185 66 K HN 0.573 nan 8.250 nan 0.000 0.425 67 A N 1.918 124.664 122.820 -0.122 0.000 1.908 67 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 67 A C 1.914 179.377 177.584 -0.202 0.000 1.181 67 A CA 2.228 54.216 52.037 -0.082 0.000 0.627 67 A CB -0.233 18.755 19.000 -0.020 0.000 0.818 67 A HN 0.778 nan 8.150 nan 0.000 0.445 68 E N 0.601 120.663 120.200 -0.229 0.000 2.150 68 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 68 E C 1.686 178.025 176.600 -0.434 0.000 0.985 68 E CA 1.531 57.745 56.400 -0.309 0.000 0.814 68 E CB -0.274 29.285 29.700 -0.236 0.000 0.752 68 E HN 0.580 nan 8.360 nan 0.000 0.466 69 N N 0.107 118.538 118.700 -0.449 0.000 2.142 69 N HA -0.080 4.660 4.740 -0.001 0.000 0.186 69 N C 1.881 176.864 175.510 -0.878 0.000 1.023 69 N CA 1.306 53.916 53.050 -0.734 0.000 0.852 69 N CB -0.207 37.924 38.487 -0.594 0.000 0.998 69 N HN 0.296 nan 8.380 nan 0.000 0.424 70 I N 1.292 121.594 120.570 -0.447 0.000 2.226 70 I HA -0.260 3.910 4.170 -0.001 0.000 0.245 70 I C 2.454 178.310 176.117 -0.436 0.000 1.100 70 I CA 1.058 62.226 61.300 -0.220 0.000 1.374 70 I CB -0.205 37.793 38.000 -0.004 0.000 1.057 70 I HN 0.141 nan 8.210 nan 0.000 0.413 71 K N 1.681 121.581 120.400 -0.834 0.000 2.032 71 K HA -0.233 4.086 4.320 -0.001 0.000 0.209 71 K C 2.137 178.421 176.600 -0.526 0.000 1.048 71 K CA 1.692 57.264 56.287 -1.192 0.000 0.927 71 K CB -0.006 31.691 32.500 -1.338 0.000 0.712 71 K HN 0.175 nan 8.250 nan 0.000 0.441 72 K N -0.395 119.701 120.400 -0.507 0.000 2.063 72 K HA -0.138 4.182 4.320 -0.001 0.000 0.208 72 K C 2.044 178.520 176.600 -0.207 0.000 1.048 72 K CA 1.697 57.766 56.287 -0.363 0.000 0.928 72 K CB -0.210 32.025 32.500 -0.441 0.000 0.713 72 K HN 0.099 nan 8.250 nan 0.000 0.442 73 F N 0.726 120.503 119.950 -0.289 0.000 2.146 73 F HA -0.112 4.415 4.527 -0.001 0.000 0.298 73 F C 2.132 177.491 175.800 -0.735 0.000 1.096 73 F CA 0.408 58.058 58.000 -0.584 0.000 1.275 73 F CB -0.945 37.763 39.000 -0.486 0.000 1.008 73 F HN -0.037 nan 8.300 nan 0.000 0.480 74 L N -0.624 120.521 121.223 -0.131 0.000 2.017 74 L HA -0.248 4.091 4.340 -0.001 0.000 0.208 74 L C 2.374 179.333 176.870 0.148 0.000 1.073 74 L CA 1.741 56.629 54.840 0.079 0.000 0.745 74 L CB -1.296 40.920 42.059 0.263 0.000 0.894 74 L HN 0.211 nan 8.230 nan 0.000 0.432 75 Y N 0.431 120.679 120.300 -0.087 0.000 2.151 75 Y HA -0.337 4.213 4.550 -0.001 0.000 0.284 75 Y C 2.654 178.476 175.900 -0.130 0.000 1.166 75 Y CA 2.333 60.216 58.100 -0.363 0.000 1.163 75 Y CB -0.495 37.572 38.460 -0.654 0.000 0.974 75 Y HN 0.459 nan 8.280 nan 0.000 0.511 76 N N -0.424 118.275 118.700 -0.001 0.000 2.223 76 N HA -0.185 4.555 4.740 -0.001 0.000 0.185 76 N C 1.083 176.709 175.510 0.194 0.000 1.016 76 N CA 1.283 54.363 53.050 0.050 0.000 0.863 76 N CB -0.294 38.227 38.487 0.057 0.000 0.983 76 N HN 0.322 nan 8.380 nan 0.000 0.429 77 F N 0.364 120.336 119.950 0.036 0.000 2.797 77 F HA 0.154 4.681 4.527 -0.001 0.000 0.302 77 F C 1.663 177.570 175.800 0.177 0.000 1.130 77 F CA 0.529 58.542 58.000 0.022 0.000 1.387 77 F CB -0.370 38.616 39.000 -0.023 0.000 1.107 77 F HN 0.052 nan 8.300 nan 0.000 0.577 78 T N -4.660 110.079 114.554 0.309 0.000 3.231 78 T HA 0.126 4.476 4.350 -0.001 0.000 0.292 78 T C 1.223 176.066 174.700 0.239 0.000 1.001 78 T CA -0.150 62.150 62.100 0.334 0.000 0.920 78 T CB 0.261 69.317 68.868 0.313 0.000 1.140 78 T HN -0.087 nan 8.240 nan 0.000 0.525 79 Q N 1.495 121.366 119.800 0.118 0.000 2.331 79 Q HA 0.346 4.686 4.340 -0.001 0.000 0.203 79 Q C 1.066 177.205 176.000 0.232 0.000 0.944 79 Q CA 0.576 56.394 55.803 0.025 0.000 0.892 79 Q CB 0.316 28.977 28.738 -0.128 0.000 0.983 79 Q HN 0.848 nan 8.270 nan 0.000 0.482 80 I N -3.772 116.949 120.570 0.251 0.000 3.074 80 I HA 0.577 4.747 4.170 -0.001 0.000 0.310 80 I C -2.858 173.185 176.117 -0.123 0.000 1.153 80 I CA -3.053 58.346 61.300 0.165 0.000 0.993 80 I CB 2.415 40.397 38.000 -0.031 0.000 1.237 80 I HN -0.332 nan 8.210 nan 0.000 0.443 81 P HA 0.251 nan 4.420 nan 0.000 0.271 81 P C -1.242 175.750 177.300 -0.513 0.000 1.218 81 P CA 0.167 63.025 63.100 -0.404 0.000 0.780 81 P CB 0.177 31.660 31.700 -0.361 0.000 0.901 82 H N 0.680 119.747 119.070 -0.004 0.000 2.551 82 H HA 0.285 4.841 4.556 -0.000 0.000 0.238 82 H C -0.332 175.015 175.328 0.031 0.000 1.345 82 H CA -0.712 55.343 56.048 0.013 0.000 1.105 82 H CB -0.210 29.550 29.762 -0.004 0.000 1.805 82 H HN 0.202 nan 8.280 nan 0.000 0.553 83 L N 1.849 123.133 121.223 0.102 0.000 2.490 83 L HA 0.293 4.632 4.340 -0.001 0.000 0.274 83 L C 0.501 177.483 176.870 0.187 0.000 1.201 83 L CA -0.092 54.841 54.840 0.155 0.000 0.869 83 L CB 0.115 42.312 42.059 0.230 0.000 1.123 83 L HN 0.459 nan 8.230 nan 0.000 0.484 84 A N 4.003 126.940 122.820 0.195 0.000 2.565 84 A HA 0.421 4.740 4.320 -0.001 0.000 0.237 84 A C 1.391 179.032 177.584 0.095 0.000 1.053 84 A CA 0.488 52.596 52.037 0.118 0.000 0.755 84 A CB -0.712 18.310 19.000 0.036 0.000 0.980 84 A HN 1.914 nan 8.150 nan 0.000 0.506 85 G N 1.352 110.222 108.800 0.115 0.000 2.176 85 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.253 85 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.253 85 G C 0.583 175.554 174.900 0.119 0.000 0.979 85 G CA 1.241 46.418 45.100 0.128 0.000 0.641 85 G HN 2.182 nan 8.290 nan 0.000 0.530 86 T N -2.059 112.566 114.554 0.117 0.000 2.902 86 T HA 0.654 5.003 4.350 -0.001 0.000 0.280 86 T C 1.062 175.819 174.700 0.094 0.000 0.992 86 T CA 0.544 62.675 62.100 0.052 0.000 1.015 86 T CB 2.205 71.089 68.868 0.027 0.000 1.044 86 T HN 0.160 nan 8.240 nan 0.000 0.520 87 E N 0.731 120.961 120.200 0.051 0.000 2.118 87 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 87 E C 2.067 178.748 176.600 0.135 0.000 0.992 87 E CA 1.631 58.086 56.400 0.091 0.000 0.804 87 E CB -0.473 29.249 29.700 0.038 0.000 0.741 87 E HN 0.766 nan 8.360 nan 0.000 0.458 88 Q N -0.087 119.765 119.800 0.087 0.000 2.135 88 Q HA -0.124 4.215 4.340 -0.001 0.000 0.204 88 Q C 1.887 178.009 176.000 0.203 0.000 0.981 88 Q CA 1.645 57.507 55.803 0.098 0.000 0.856 88 Q CB -0.306 28.432 28.738 -0.000 0.000 0.902 88 Q HN 0.240 nan 8.270 nan 0.000 0.425 89 N N -0.556 118.261 118.700 0.196 0.000 2.354 89 N HA -0.100 4.639 4.740 -0.001 0.000 0.179 89 N C 1.091 176.653 175.510 0.088 0.000 1.021 89 N CA 0.482 53.639 53.050 0.180 0.000 0.887 89 N CB -0.066 38.532 38.487 0.184 0.000 0.974 89 N HN 0.257 nan 8.380 nan 0.000 0.437 90 F N 1.277 121.199 119.950 -0.047 0.000 2.146 90 F HA -0.035 4.491 4.527 -0.001 0.000 0.298 90 F C 2.118 177.776 175.800 -0.236 0.000 1.096 90 F CA 1.222 59.078 58.000 -0.240 0.000 1.275 90 F CB -0.235 38.568 39.000 -0.329 0.000 1.008 90 F HN 0.007 nan 8.300 nan 0.000 0.480 91 Q N 0.341 120.020 119.800 -0.201 0.000 2.084 91 Q HA -0.187 4.152 4.340 -0.001 0.000 0.202 91 Q C 2.328 178.136 176.000 -0.321 0.000 0.978 91 Q CA 1.561 57.184 55.803 -0.300 0.000 0.844 91 Q CB -1.047 27.645 28.738 -0.076 0.000 0.898 91 Q HN 0.487 nan 8.270 nan 0.000 0.426 92 L N 0.762 121.845 121.223 -0.234 0.000 2.046 92 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 92 L C 2.179 178.778 176.870 -0.452 0.000 1.077 92 L CA 1.988 56.619 54.840 -0.348 0.000 0.747 92 L CB -0.964 40.797 42.059 -0.497 0.000 0.896 92 L HN 0.135 nan 8.230 nan 0.000 0.432 93 A N -0.457 122.106 122.820 -0.428 0.000 1.892 93 A HA -0.292 4.028 4.320 -0.001 0.000 0.218 93 A C 2.348 179.625 177.584 -0.511 0.000 1.188 93 A CA 2.288 54.056 52.037 -0.449 0.000 0.631 93 A CB -0.590 18.203 19.000 -0.346 0.000 0.822 93 A HN 0.530 nan 8.150 nan 0.000 0.447 94 K N -0.926 119.107 120.400 -0.611 0.000 2.097 94 K HA -0.190 4.130 4.320 -0.001 0.000 0.205 94 K C 2.415 178.784 176.600 -0.385 0.000 1.050 94 K CA 1.413 57.386 56.287 -0.523 0.000 0.938 94 K CB -0.182 31.936 32.500 -0.637 0.000 0.718 94 K HN 0.728 nan 8.250 nan 0.000 0.442 95 Q N 1.203 120.784 119.800 -0.364 0.000 2.050 95 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 95 Q C 2.081 177.875 176.000 -0.344 0.000 0.980 95 Q CA 1.400 57.032 55.803 -0.284 0.000 0.840 95 Q CB -0.055 28.547 28.738 -0.226 0.000 0.898 95 Q HN 0.297 nan 8.270 nan 0.000 0.424 96 I N 0.706 120.980 120.570 -0.492 0.000 2.226 96 I HA -0.312 3.858 4.170 -0.001 0.000 0.245 96 I C 2.763 178.432 176.117 -0.748 0.000 1.100 96 I CA 1.442 62.325 61.300 -0.696 0.000 1.374 96 I CB -0.376 37.043 38.000 -0.968 0.000 1.057 96 I HN 0.417 nan 8.210 nan 0.000 0.413 97 Q N 0.394 119.858 119.800 -0.560 0.000 2.061 97 Q HA -0.278 4.061 4.340 -0.001 0.000 0.204 97 Q C 2.335 178.199 176.000 -0.228 0.000 0.984 97 Q CA 2.464 58.057 55.803 -0.350 0.000 0.846 97 Q CB -0.141 28.442 28.738 -0.258 0.000 0.902 97 Q HN 0.400 nan 8.270 nan 0.000 0.421 98 S N -0.425 115.132 115.700 -0.239 0.000 2.368 98 S HA -0.203 4.267 4.470 -0.001 0.000 0.225 98 S C 1.894 176.362 174.600 -0.221 0.000 1.030 98 S CA 1.627 59.719 58.200 -0.181 0.000 0.999 98 S CB -0.134 62.966 63.200 -0.165 0.000 0.844 98 S HN 0.500 nan 8.310 nan 0.000 0.459 99 Q N -0.875 118.730 119.800 -0.326 0.000 2.079 99 Q HA -0.103 4.237 4.340 -0.001 0.000 0.200 99 Q C 1.933 177.470 176.000 -0.772 0.000 0.974 99 Q CA 1.449 56.887 55.803 -0.609 0.000 0.840 99 Q CB -0.265 28.104 28.738 -0.615 0.000 0.898 99 Q HN 0.641 nan 8.270 nan 0.000 0.430 100 W N 1.673 122.613 121.300 -0.599 0.000 2.374 100 W HA -0.103 4.557 4.660 -0.000 0.000 0.288 100 W C 1.877 178.273 176.519 -0.206 0.000 1.218 100 W CA 0.672 57.795 57.345 -0.370 0.000 1.245 100 W CB -0.372 28.978 29.460 -0.183 0.000 1.126 100 W HN 0.137 nan 8.180 nan 0.000 0.545 101 K N 0.008 120.433 120.400 0.042 0.000 2.002 101 K HA -0.209 4.111 4.320 -0.001 0.000 0.209 101 K C 1.886 178.494 176.600 0.013 0.000 1.048 101 K CA 1.690 57.994 56.287 0.029 0.000 0.930 101 K CB -0.616 31.886 32.500 0.003 0.000 0.714 101 K HN 0.139 nan 8.250 nan 0.000 0.438 102 E N 0.460 120.624 120.200 -0.059 0.000 2.153 102 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 102 E C 1.585 178.271 176.600 0.143 0.000 0.988 102 E CA 0.963 57.363 56.400 0.001 0.000 0.811 102 E CB 0.021 29.694 29.700 -0.045 0.000 0.746 102 E HN 0.173 nan 8.360 nan 0.000 0.466 103 F N -0.049 119.910 119.950 0.014 0.000 2.451 103 F HA 0.115 4.642 4.527 -0.001 0.000 0.299 103 F C 1.979 177.772 175.800 -0.012 0.000 1.101 103 F CA 1.312 59.299 58.000 -0.022 0.000 1.436 103 F CB -0.135 38.808 39.000 -0.096 0.000 1.074 103 F HN 0.304 nan 8.300 nan 0.000 0.553 104 G N -0.524 108.384 108.800 0.180 0.000 2.198 104 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.156 104 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.156 104 G C 0.206 175.160 174.900 0.090 0.000 1.012 104 G CA -0.364 44.807 45.100 0.118 0.000 0.692 104 G HN 0.163 nan 8.290 nan 0.000 0.492 105 L N 1.002 122.271 121.223 0.076 0.000 2.483 105 L HA 0.201 4.540 4.340 -0.001 0.000 0.275 105 L C 1.407 178.317 176.870 0.067 0.000 1.220 105 L CA -0.188 54.689 54.840 0.062 0.000 0.833 105 L CB 0.333 42.423 42.059 0.052 0.000 1.102 105 L HN 0.045 nan 8.230 nan 0.000 0.490 106 D N 0.341 120.776 120.400 0.059 0.000 2.117 106 D HA -0.070 4.569 4.640 -0.001 0.000 0.198 106 D C 0.780 177.114 176.300 0.057 0.000 0.982 106 D CA 1.308 55.337 54.000 0.049 0.000 0.828 106 D CB 0.297 41.117 40.800 0.033 0.000 0.967 106 D HN 0.590 nan 8.370 nan 0.000 0.464 107 S N -0.628 115.114 115.700 0.071 0.000 2.541 107 S HA 0.563 5.032 4.470 -0.001 0.000 0.271 107 S C -1.058 173.608 174.600 0.110 0.000 1.133 107 S CA -0.805 57.443 58.200 0.080 0.000 0.876 107 S CB 2.587 65.832 63.200 0.075 0.000 1.105 107 S HN -0.153 nan 8.310 nan 0.000 0.470 108 V N 2.339 122.319 119.914 0.109 0.000 2.567 108 V HA 0.628 4.748 4.120 -0.001 0.000 0.298 108 V C -1.170 174.982 176.094 0.096 0.000 1.047 108 V CA -0.530 61.855 62.300 0.141 0.000 0.880 108 V CB 1.578 33.502 31.823 0.167 0.000 1.009 108 V HN 0.938 nan 8.190 nan 0.000 0.429 109 E N 3.622 123.888 120.200 0.109 0.000 2.336 109 E HA 0.649 4.998 4.350 -0.001 0.000 0.267 109 E C -1.050 175.612 176.600 0.104 0.000 0.906 109 E CA -0.780 55.682 56.400 0.104 0.000 0.781 109 E CB 3.081 32.860 29.700 0.132 0.000 1.261 109 E HN 0.504 nan 8.360 nan 0.000 0.436 110 L N 0.988 122.286 121.223 0.124 0.000 2.312 110 L HA 0.590 4.929 4.340 -0.001 0.000 0.281 110 L C 0.038 177.042 176.870 0.224 0.000 1.070 110 L CA -0.890 54.060 54.840 0.183 0.000 0.805 110 L CB 1.257 43.465 42.059 0.250 0.000 1.174 110 L HN 0.453 nan 8.230 nan 0.000 0.434 111 A N 3.446 126.402 122.820 0.228 0.000 2.291 111 A HA 0.550 4.869 4.320 -0.001 0.000 0.311 111 A C -0.585 176.984 177.584 -0.025 0.000 1.224 111 A CA -0.597 51.517 52.037 0.129 0.000 0.821 111 A CB 0.291 19.546 19.000 0.425 0.000 1.172 111 A HN 0.839 nan 8.150 nan 0.000 0.494 112 H N 0.521 119.382 119.070 -0.348 0.000 2.616 112 H HA 0.817 5.373 4.556 -0.001 0.000 0.353 112 H C -1.841 172.908 175.328 -0.965 0.000 1.170 112 H CA -0.740 55.006 56.048 -0.502 0.000 1.212 112 H CB 1.326 30.806 29.762 -0.470 0.000 1.653 112 H HN 0.519 nan 8.280 nan 0.000 0.537 113 Y N -0.747 119.538 120.300 -0.025 0.000 2.597 113 Y HA 0.226 4.775 4.550 -0.001 0.000 0.340 113 Y C -0.862 175.010 175.900 -0.048 0.000 1.097 113 Y CA -1.068 57.007 58.100 -0.042 0.000 1.037 113 Y CB 2.074 40.510 38.460 -0.040 0.000 1.305 113 Y HN 0.581 nan 8.280 nan 0.000 0.463 114 D N 2.517 122.976 120.400 0.100 0.000 2.453 114 D HA 0.470 5.109 4.640 -0.001 0.000 0.238 114 D C -0.863 175.455 176.300 0.030 0.000 1.088 114 D CA -0.104 53.914 54.000 0.029 0.000 0.854 114 D CB 1.780 42.585 40.800 0.008 0.000 1.076 114 D HN 0.402 nan 8.370 nan 0.000 0.533 115 V N -0.402 119.522 119.914 0.017 0.000 2.960 115 V HA 0.546 4.666 4.120 -0.001 0.000 0.315 115 V C -0.227 175.874 176.094 0.011 0.000 1.087 115 V CA -1.210 61.095 62.300 0.009 0.000 0.982 115 V CB 2.143 33.969 31.823 0.004 0.000 1.039 115 V HN 0.264 nan 8.190 nan 0.000 0.437 116 L N 2.982 124.234 121.223 0.048 0.000 2.433 116 L HA 0.459 4.798 4.340 -0.001 0.000 0.275 116 L C -0.333 176.661 176.870 0.207 0.000 1.128 116 L CA 0.768 55.681 54.840 0.123 0.000 0.875 116 L CB -0.498 41.663 42.059 0.170 0.000 1.171 116 L HN 0.680 nan 8.230 nan 0.000 0.463 117 L N 3.308 124.505 121.223 -0.043 0.000 2.299 117 L HA 0.713 5.052 4.340 -0.001 0.000 0.268 117 L C -0.101 176.411 176.870 -0.597 0.000 1.012 117 L CA -0.854 53.716 54.840 -0.450 0.000 0.816 117 L CB 1.858 43.368 42.059 -0.915 0.000 1.355 117 L HN 0.589 nan 8.230 nan 0.000 0.457 118 S N -0.732 114.452 115.700 -0.860 0.000 2.546 118 S HA 0.714 5.184 4.470 -0.001 0.000 0.272 118 S C -1.817 172.585 174.600 -0.329 0.000 1.140 118 S CA -0.363 57.534 58.200 -0.505 0.000 0.920 118 S CB 0.979 63.794 63.200 -0.643 0.000 1.083 118 S HN 0.379 nan 8.310 nan 0.000 0.476 119 Y N 1.961 122.279 120.300 0.030 0.000 2.534 119 Y HA 0.530 5.079 4.550 -0.001 0.000 0.345 119 Y C -2.496 173.201 175.900 -0.339 0.000 1.031 119 Y CA -1.921 56.053 58.100 -0.209 0.000 1.022 119 Y CB 1.615 40.002 38.460 -0.123 0.000 1.292 119 Y HN 0.462 nan 8.280 nan 0.000 0.459 120 P HA 0.010 nan 4.420 nan 0.000 0.272 120 P C -0.594 176.664 177.300 -0.070 0.000 1.240 120 P CA -0.279 62.675 63.100 -0.243 0.000 0.791 120 P CB 0.600 32.115 31.700 -0.309 0.000 0.978 121 N N 1.348 120.048 118.700 0.001 0.000 2.408 121 N HA 0.048 4.788 4.740 -0.001 0.000 0.257 121 N C 0.699 176.228 175.510 0.032 0.000 1.064 121 N CA 0.031 53.103 53.050 0.037 0.000 0.952 121 N CB 0.270 38.815 38.487 0.096 0.000 1.093 121 N HN 0.173 nan 8.380 nan 0.000 0.490 122 K N 0.887 121.286 120.400 -0.003 0.000 2.211 122 K HA -0.103 4.216 4.320 -0.001 0.000 0.204 122 K C 1.119 177.727 176.600 0.013 0.000 1.047 122 K CA 1.697 57.978 56.287 -0.011 0.000 0.935 122 K CB 0.134 32.610 32.500 -0.040 0.000 0.728 122 K HN 0.691 nan 8.250 nan 0.000 0.452 123 T N -3.454 111.118 114.554 0.030 0.000 3.134 123 T HA 0.062 4.412 4.350 -0.001 0.000 0.260 123 T C -0.038 174.711 174.700 0.082 0.000 1.027 123 T CA -0.364 61.752 62.100 0.027 0.000 0.913 123 T CB -0.113 68.750 68.868 -0.008 0.000 1.046 123 T HN 0.214 nan 8.240 nan 0.000 0.553 124 H N 1.261 120.323 119.070 -0.013 0.000 2.596 124 H HA 0.351 4.907 4.556 0.000 0.000 0.240 124 H C -3.124 172.275 175.328 0.118 0.000 1.406 124 H CA -1.966 54.071 56.048 -0.019 0.000 1.504 124 H CB 1.113 30.800 29.762 -0.125 0.000 1.688 124 H HN 0.153 nan 8.280 nan 0.000 0.546 125 P HA -0.016 nan 4.420 nan 0.000 0.269 125 P C -0.419 177.023 177.300 0.236 0.000 1.209 125 P CA -0.150 63.056 63.100 0.176 0.000 0.776 125 P CB 0.659 32.429 31.700 0.117 0.000 0.876 126 N N 2.239 121.016 118.700 0.129 0.000 2.520 126 N HA 0.284 5.024 4.740 -0.001 0.000 0.273 126 N C -0.302 175.224 175.510 0.027 0.000 1.155 126 N CA 0.182 53.213 53.050 -0.031 0.000 0.967 126 N CB 0.108 38.502 38.487 -0.153 0.000 1.092 126 N HN 0.528 nan 8.380 nan 0.000 0.457 127 Y N -1.611 118.531 120.300 -0.263 0.000 2.713 127 Y HA 0.635 5.184 4.550 -0.001 0.000 0.335 127 Y C -1.652 174.252 175.900 0.007 0.000 1.222 127 Y CA -1.266 56.735 58.100 -0.164 0.000 1.061 127 Y CB 0.902 39.295 38.460 -0.112 0.000 1.314 127 Y HN 0.263 nan 8.280 nan 0.000 0.453 128 I N 1.949 122.532 120.570 0.022 0.000 2.569 128 I HA 0.618 4.788 4.170 -0.001 0.000 0.296 128 I C -0.693 175.472 176.117 0.079 0.000 1.028 128 I CA -0.767 60.532 61.300 -0.002 0.000 1.082 128 I CB 2.322 40.369 38.000 0.078 0.000 1.264 128 I HN 0.685 nan 8.210 nan 0.000 0.429 129 S N 4.988 120.748 115.700 0.100 0.000 2.600 129 S HA 0.657 5.126 4.470 -0.001 0.000 0.300 129 S C -0.511 174.220 174.600 0.219 0.000 1.087 129 S CA -0.620 57.689 58.200 0.182 0.000 0.965 129 S CB 1.988 65.355 63.200 0.279 0.000 1.089 129 S HN 0.327 nan 8.310 nan 0.000 0.496 130 I N 2.761 123.515 120.570 0.306 0.000 2.359 130 I HA 0.458 4.628 4.170 -0.001 0.000 0.294 130 I C -0.400 175.850 176.117 0.222 0.000 0.987 130 I CA -0.600 60.872 61.300 0.288 0.000 1.225 130 I CB 0.900 39.078 38.000 0.296 0.000 1.366 130 I HN 0.543 nan 8.210 nan 0.000 0.466 131 I N 3.168 123.850 120.570 0.187 0.000 2.603 131 I HA 0.565 4.735 4.170 -0.001 0.000 0.300 131 I C -0.505 175.701 176.117 0.149 0.000 1.017 131 I CA -0.875 60.515 61.300 0.150 0.000 1.098 131 I CB 1.752 39.821 38.000 0.115 0.000 1.279 131 I HN 0.499 nan 8.210 nan 0.000 0.437 132 N N 2.851 121.629 118.700 0.130 0.000 2.448 132 N HA 0.185 4.924 4.740 -0.001 0.000 0.274 132 N C 0.432 175.999 175.510 0.095 0.000 1.239 132 N CA -0.563 52.560 53.050 0.123 0.000 0.982 132 N CB 0.224 38.778 38.487 0.112 0.000 1.199 132 N HN 0.736 nan 8.380 nan 0.000 0.576 133 E N -0.970 119.281 120.200 0.084 0.000 2.171 133 E HA -0.222 4.128 4.350 -0.001 0.000 0.197 133 E C 0.147 176.778 176.600 0.053 0.000 0.997 133 E CA 1.444 57.881 56.400 0.062 0.000 0.810 133 E CB -0.289 29.443 29.700 0.053 0.000 0.738 133 E HN 0.572 nan 8.360 nan 0.000 0.467 134 D N -0.332 120.101 120.400 0.056 0.000 2.317 134 D HA -0.003 4.637 4.640 -0.001 0.000 0.211 134 D C 1.266 177.599 176.300 0.053 0.000 0.966 134 D CA 1.065 55.094 54.000 0.049 0.000 0.876 134 D CB 0.434 41.262 40.800 0.047 0.000 0.927 134 D HN 0.366 nan 8.370 nan 0.000 0.519 135 G N 1.362 110.200 108.800 0.064 0.000 2.142 135 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.225 135 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.225 135 G C -0.259 174.689 174.900 0.081 0.000 1.015 135 G CA -0.332 44.811 45.100 0.071 0.000 0.716 135 G HN 0.335 nan 8.290 nan 0.000 0.508 136 N N 0.762 119.511 118.700 0.082 0.000 2.472 136 N HA 0.417 5.156 4.740 -0.001 0.000 0.277 136 N C -0.114 175.461 175.510 0.107 0.000 1.081 136 N CA -0.326 52.775 53.050 0.085 0.000 0.973 136 N CB 0.783 39.313 38.487 0.073 0.000 1.105 136 N HN 0.377 nan 8.380 nan 0.000 0.470 137 E N 2.369 122.639 120.200 0.116 0.000 2.003 137 E HA 0.056 4.405 4.350 -0.001 0.000 0.279 137 E C 0.831 177.506 176.600 0.125 0.000 1.132 137 E CA -0.113 56.372 56.400 0.143 0.000 0.888 137 E CB 0.358 30.165 29.700 0.178 0.000 1.056 137 E HN 0.653 nan 8.360 nan 0.000 0.399 138 I N 0.467 121.125 120.570 0.146 0.000 3.578 138 I HA 0.235 4.405 4.170 -0.001 0.000 0.295 138 I C 0.064 176.308 176.117 0.212 0.000 1.280 138 I CA 0.196 61.583 61.300 0.144 0.000 1.347 138 I CB 0.246 38.322 38.000 0.126 0.000 1.051 138 I HN 0.193 nan 8.210 nan 0.000 0.460 139 F N 1.911 121.895 119.950 0.057 0.000 2.615 139 F HA 0.563 5.090 4.527 -0.000 0.000 0.312 139 F C -1.985 173.874 175.800 0.098 0.000 1.119 139 F CA -0.976 57.049 58.000 0.042 0.000 0.979 139 F CB 1.362 40.365 39.000 0.004 0.000 1.266 139 F HN -0.155 nan 8.300 nan 0.000 0.444 140 N N 2.891 121.036 118.700 -0.926 0.000 2.258 140 N HA 0.372 5.112 4.740 -0.001 0.000 0.299 140 N C -0.705 174.201 175.510 -1.005 0.000 1.047 140 N CA -0.380 52.261 53.050 -0.681 0.000 0.814 140 N CB 2.218 40.531 38.487 -0.289 0.000 1.413 140 N HN 0.746 nan 8.380 nan 0.000 0.478 141 T N -1.606 112.632 114.554 -0.527 0.000 2.766 141 T HA 0.231 4.580 4.350 -0.001 0.000 0.295 141 T C 0.895 175.530 174.700 -0.108 0.000 1.024 141 T CA -0.697 61.270 62.100 -0.221 0.000 1.018 141 T CB 0.265 69.177 68.868 0.072 0.000 1.002 141 T HN 0.443 nan 8.240 nan 0.000 0.532 142 S N 0.612 116.285 115.700 -0.045 0.000 2.573 142 S HA 0.135 4.605 4.470 -0.001 0.000 0.277 142 S C 0.974 175.544 174.600 -0.051 0.000 1.346 142 S CA -0.816 57.318 58.200 -0.110 0.000 1.034 142 S CB -0.135 62.977 63.200 -0.146 0.000 0.879 142 S HN 0.654 nan 8.310 nan 0.000 0.528 143 L N 1.185 122.343 121.223 -0.109 0.000 2.567 143 L HA 0.360 4.700 4.340 -0.001 0.000 0.225 143 L C -0.137 176.890 176.870 0.261 0.000 1.119 143 L CA -0.050 54.852 54.840 0.103 0.000 0.871 143 L CB -0.692 41.474 42.059 0.178 0.000 1.036 143 L HN 0.830 nan 8.230 nan 0.000 0.459 144 F N -3.345 116.640 119.950 0.058 0.000 2.744 144 F HA 0.440 4.967 4.527 -0.001 0.000 0.311 144 F C -0.841 174.990 175.800 0.052 0.000 1.144 144 F CA -1.473 56.556 58.000 0.048 0.000 0.938 144 F CB 0.735 39.758 39.000 0.038 0.000 1.292 144 F HN -0.270 nan 8.300 nan 0.000 0.444 145 E N 2.142 122.447 120.200 0.175 0.000 2.313 145 E HA 0.345 4.695 4.350 -0.001 0.000 0.276 145 E C -2.547 174.212 176.600 0.264 0.000 1.031 145 E CA -1.793 54.665 56.400 0.097 0.000 0.857 145 E CB 0.718 30.406 29.700 -0.020 0.000 1.040 145 E HN 0.296 nan 8.360 nan 0.000 0.408 146 P HA 0.015 nan 4.420 nan 0.000 0.262 146 P C -2.396 175.134 177.300 0.383 0.000 1.199 146 P CA -0.768 62.550 63.100 0.362 0.000 0.763 146 P CB -0.055 31.826 31.700 0.302 0.000 0.790 147 P HA 0.195 nan 4.420 nan 0.000 0.274 147 P C -2.495 175.049 177.300 0.406 0.000 1.231 147 P CA -1.664 61.617 63.100 0.303 0.000 0.790 147 P CB -0.394 31.473 31.700 0.277 0.000 0.951 148 P HA 0.283 nan 4.420 nan 0.000 0.274 148 P C -2.601 174.990 177.300 0.485 0.000 1.256 148 P CA -2.138 61.299 63.100 0.561 0.000 0.795 148 P CB -1.232 30.855 31.700 0.645 0.000 1.038 149 P HA 0.014 nan 4.420 nan 0.000 0.261 149 P C 1.055 178.515 177.300 0.267 0.000 1.183 149 P CA 1.665 64.931 63.100 0.278 0.000 0.761 149 P CB -0.461 31.358 31.700 0.199 0.000 0.785 150 G N 2.158 111.044 108.800 0.144 0.000 2.199 150 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.254 150 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.254 150 G C 0.432 175.249 174.900 -0.138 0.000 0.982 150 G CA -0.105 44.984 45.100 -0.018 0.000 0.632 150 G HN 0.528 nan 8.290 nan 0.000 0.529 151 Y N 0.555 120.903 120.300 0.082 0.000 2.531 151 Y HA 0.396 4.945 4.550 -0.001 0.000 0.249 151 Y C 1.931 177.907 175.900 0.127 0.000 1.168 151 Y CA 0.500 58.650 58.100 0.082 0.000 1.226 151 Y CB 0.581 39.079 38.460 0.063 0.000 1.177 151 Y HN 0.321 nan 8.280 nan 0.000 0.527 152 E N -0.077 120.266 120.200 0.239 0.000 2.409 152 E HA -0.147 4.202 4.350 -0.001 0.000 0.198 152 E C 1.286 177.956 176.600 0.116 0.000 1.024 152 E CA 0.828 57.337 56.400 0.181 0.000 0.861 152 E CB -0.073 29.719 29.700 0.155 0.000 0.788 152 E HN 0.267 nan 8.360 nan 0.000 0.521 153 N N -0.516 118.247 118.700 0.105 0.000 2.184 153 N HA 0.027 4.767 4.740 -0.001 0.000 0.206 153 N C -0.775 174.783 175.510 0.080 0.000 1.151 153 N CA -0.046 53.043 53.050 0.065 0.000 0.878 153 N CB 0.731 39.241 38.487 0.039 0.000 1.014 153 N HN -0.146 nan 8.380 nan 0.000 0.512 154 V N 1.761 121.765 119.914 0.150 0.000 2.585 154 V HA 0.130 4.250 4.120 -0.001 0.000 0.296 154 V C 0.614 176.778 176.094 0.116 0.000 1.035 154 V CA -0.247 62.166 62.300 0.187 0.000 1.084 154 V CB 0.772 32.840 31.823 0.408 0.000 0.953 154 V HN 0.380 nan 8.190 nan 0.000 0.483 155 S N 2.760 118.501 115.700 0.067 0.000 2.713 155 S HA 0.479 4.948 4.470 -0.001 0.000 0.283 155 S C 0.022 174.619 174.600 -0.005 0.000 1.161 155 S CA -0.485 57.724 58.200 0.015 0.000 0.999 155 S CB 1.359 64.556 63.200 -0.004 0.000 1.039 155 S HN 0.797 nan 8.310 nan 0.000 0.548 156 D N -0.612 119.767 120.400 -0.035 0.000 3.017 156 D HA -0.128 4.511 4.640 -0.001 0.000 0.220 156 D C -0.664 175.594 176.300 -0.070 0.000 1.141 156 D CA 0.662 54.630 54.000 -0.053 0.000 0.848 156 D CB -1.665 39.101 40.800 -0.056 0.000 1.102 156 D HN 0.656 nan 8.370 nan 0.000 0.427 157 I N 1.007 121.538 120.570 -0.066 0.000 2.436 157 I HA 0.044 4.213 4.170 -0.001 0.000 0.289 157 I C 1.118 177.219 176.117 -0.027 0.000 1.083 157 I CA -0.242 61.003 61.300 -0.092 0.000 1.372 157 I CB 1.140 39.097 38.000 -0.070 0.000 1.408 157 I HN -0.176 nan 8.210 nan 0.000 0.516 158 V N 10.479 130.404 119.914 0.019 0.000 2.529 158 V HA 0.134 4.254 4.120 -0.001 0.000 0.292 158 V C -1.583 174.570 176.094 0.098 0.000 1.028 158 V CA -1.203 61.146 62.300 0.081 0.000 1.074 158 V CB 0.787 32.751 31.823 0.235 0.000 0.958 158 V HN 0.587 nan 8.190 nan 0.000 0.481 159 P HA 0.265 nan 4.420 nan 0.000 0.272 159 P C -2.813 174.602 177.300 0.191 0.000 1.240 159 P CA -1.755 61.427 63.100 0.137 0.000 0.791 159 P CB -0.273 31.518 31.700 0.151 0.000 0.978 160 P HA 0.103 nan 4.420 nan 0.000 0.264 160 P C -0.699 176.709 177.300 0.181 0.000 1.193 160 P CA 0.813 63.945 63.100 0.053 0.000 0.763 160 P CB -0.256 31.409 31.700 -0.059 0.000 0.810 161 F N -1.040 118.779 119.950 -0.218 0.000 2.713 161 F HA 0.588 5.115 4.527 -0.000 0.000 0.311 161 F C -1.105 174.555 175.800 -0.233 0.000 1.141 161 F CA -1.153 56.771 58.000 -0.127 0.000 0.939 161 F CB 0.915 39.927 39.000 0.019 0.000 1.325 161 F HN -0.068 nan 8.300 nan 0.000 0.453 162 S N 1.906 117.473 115.700 -0.221 0.000 2.410 162 S HA 0.653 5.123 4.470 -0.001 0.000 0.304 162 S C 0.032 174.414 174.600 -0.364 0.000 1.095 162 S CA -0.450 57.524 58.200 -0.377 0.000 1.089 162 S CB 0.906 64.027 63.200 -0.133 0.000 0.968 162 S HN 0.903 nan 8.310 nan 0.000 0.480 163 A N 2.500 124.896 122.820 -0.707 0.000 2.520 163 A HA 0.550 4.870 4.320 -0.001 0.000 0.245 163 A C 0.311 177.946 177.584 0.086 0.000 1.072 163 A CA 0.096 51.917 52.037 -0.360 0.000 0.761 163 A CB -0.822 17.952 19.000 -0.377 0.000 1.004 163 A HN 0.988 nan 8.150 nan 0.000 0.499 164 F N 0.191 120.234 119.950 0.155 0.000 2.544 164 F HA -0.195 4.331 4.527 -0.000 0.000 0.389 164 F C 1.135 176.982 175.800 0.078 0.000 0.588 164 F CA 0.848 58.919 58.000 0.118 0.000 1.461 164 F CB -1.963 37.094 39.000 0.095 0.000 1.995 164 F HN 0.637 nan 8.300 nan 0.000 0.282 165 S N 3.071 118.885 115.700 0.190 0.000 2.558 165 S HA 0.249 4.719 4.470 -0.001 0.000 0.293 165 S C -1.231 173.435 174.600 0.110 0.000 1.292 165 S CA -0.782 57.492 58.200 0.123 0.000 1.063 165 S CB 0.626 63.885 63.200 0.100 0.000 0.831 165 S HN 0.154 nan 8.310 nan 0.000 0.499 166 P HA 0.141 nan 4.420 nan 0.000 0.274 166 P C -0.792 176.523 177.300 0.024 0.000 1.256 166 P CA -0.443 62.691 63.100 0.058 0.000 0.795 166 P CB 0.449 32.174 31.700 0.041 0.000 1.038 167 Q N -0.600 119.212 119.800 0.021 0.000 2.354 167 Q HA 0.594 4.933 4.340 -0.001 0.000 0.244 167 Q C 0.389 176.370 176.000 -0.032 0.000 0.969 167 Q CA -0.072 55.723 55.803 -0.013 0.000 0.885 167 Q CB 0.785 29.549 28.738 0.043 0.000 1.241 167 Q HN 0.759 nan 8.270 nan 0.000 0.461 168 G N 0.563 109.309 108.800 -0.090 0.000 2.340 168 G HA2 0.330 4.289 3.960 -0.001 0.000 0.298 168 G HA3 0.330 4.289 3.960 -0.001 0.000 0.298 168 G C -1.146 173.668 174.900 -0.144 0.000 1.498 168 G CA -0.881 44.174 45.100 -0.076 0.000 0.847 168 G HN 0.473 nan 8.290 nan 0.000 0.594 169 M N 2.195 121.730 119.600 -0.109 0.000 3.124 169 M HA 0.236 4.715 4.480 -0.001 0.000 0.298 169 M C -2.499 173.697 176.300 -0.173 0.000 1.403 169 M CA -1.238 53.952 55.300 -0.184 0.000 0.651 169 M CB 1.460 34.005 32.600 -0.092 0.000 1.412 169 M HN 0.311 nan 8.290 nan 0.000 0.477 170 P HA 0.083 nan 4.420 nan 0.000 0.268 170 P C -0.997 176.221 177.300 -0.136 0.000 1.204 170 P CA 0.478 63.511 63.100 -0.113 0.000 0.768 170 P CB 0.755 32.401 31.700 -0.089 0.000 0.842 171 E N 0.997 121.140 120.200 -0.096 0.000 2.222 171 E HA 0.724 5.074 4.350 -0.001 0.000 0.267 171 E C 0.064 176.626 176.600 -0.064 0.000 0.884 171 E CA -0.932 55.417 56.400 -0.086 0.000 0.764 171 E CB 2.214 31.877 29.700 -0.062 0.000 1.169 171 E HN 0.671 nan 8.360 nan 0.000 0.413 172 G N 1.769 110.528 108.800 -0.069 0.000 2.340 172 G HA2 0.154 4.114 3.960 -0.001 0.000 0.299 172 G HA3 0.154 4.114 3.960 -0.001 0.000 0.299 172 G C -1.679 173.153 174.900 -0.114 0.000 1.291 172 G CA -0.816 44.242 45.100 -0.071 0.000 0.841 172 G HN 0.392 nan 8.290 nan 0.000 0.500 173 D N 0.547 120.876 120.400 -0.119 0.000 2.210 173 D HA 0.444 5.083 4.640 -0.001 0.000 0.249 173 D C 0.396 176.609 176.300 -0.146 0.000 1.062 173 D CA -0.076 53.809 54.000 -0.192 0.000 0.891 173 D CB 2.008 42.721 40.800 -0.145 0.000 1.186 173 D HN 0.247 nan 8.370 nan 0.000 0.432 174 L N 1.283 122.382 121.223 -0.207 0.000 2.397 174 L HA 0.280 4.620 4.340 -0.001 0.000 0.271 174 L C -0.079 176.792 176.870 0.002 0.000 1.148 174 L CA -0.507 54.290 54.840 -0.072 0.000 0.825 174 L CB 1.010 43.038 42.059 -0.053 0.000 1.117 174 L HN -0.010 nan 8.230 nan 0.000 0.456 175 V N 2.773 122.730 119.914 0.072 0.000 2.540 175 V HA 0.216 4.336 4.120 -0.001 0.000 0.302 175 V C -0.817 175.393 176.094 0.194 0.000 1.035 175 V CA -0.696 61.679 62.300 0.126 0.000 0.873 175 V CB 1.764 33.655 31.823 0.114 0.000 0.992 175 V HN 0.445 nan 8.190 nan 0.000 0.428 176 Y N 5.720 126.091 120.300 0.118 0.000 2.327 176 Y HA 0.503 5.053 4.550 -0.001 0.000 0.336 176 Y C 0.605 176.612 175.900 0.178 0.000 1.035 176 Y CA -0.650 57.536 58.100 0.144 0.000 1.165 176 Y CB 1.699 40.272 38.460 0.188 0.000 1.181 176 Y HN 0.424 nan 8.280 nan 0.000 0.494 177 V N 3.122 122.723 119.914 -0.522 0.000 3.006 177 V HA 0.321 4.441 4.120 -0.001 0.000 0.357 177 V C 0.605 176.009 176.094 -1.150 0.000 1.377 177 V CA 0.144 62.059 62.300 -0.642 0.000 1.198 177 V CB -1.195 30.284 31.823 -0.574 0.000 1.216 177 V HN 0.974 nan 8.190 nan 0.000 0.520 178 N N 1.585 119.222 118.700 -1.772 0.000 1.222 178 N HA -0.337 4.403 4.740 -0.001 0.000 0.134 178 N C 0.298 175.262 175.510 -0.910 0.000 0.787 178 N CA 2.645 54.749 53.050 -1.576 0.000 0.929 178 N CB -1.350 35.823 38.487 -2.190 0.000 1.170 178 N HN 0.461 nan 8.380 nan 0.000 0.541 179 Y N 1.319 121.269 120.300 -0.584 0.000 2.471 179 Y HA 0.508 5.058 4.550 -0.001 0.000 0.286 179 Y C 1.583 177.333 175.900 -0.251 0.000 1.188 179 Y CA 1.042 58.957 58.100 -0.310 0.000 1.286 179 Y CB -0.431 37.895 38.460 -0.223 0.000 1.072 179 Y HN 0.634 nan 8.280 nan 0.000 0.517 180 A N 0.192 122.855 122.820 -0.262 0.000 2.860 180 A HA -0.298 4.022 4.320 -0.001 0.000 0.267 180 A C 0.745 178.394 177.584 0.108 0.000 1.421 180 A CA 0.686 52.654 52.037 -0.116 0.000 0.831 180 A CB -2.095 16.958 19.000 0.088 0.000 1.041 180 A HN 0.515 nan 8.150 nan 0.000 0.623 181 R N -0.954 119.545 120.500 -0.001 0.000 2.637 181 R HA 0.435 4.774 4.340 -0.001 0.000 0.269 181 R C 1.710 178.075 176.300 0.109 0.000 1.089 181 R CA 0.142 56.277 56.100 0.059 0.000 1.177 181 R CB 0.137 30.441 30.300 0.006 0.000 1.091 181 R HN 0.353 nan 8.270 nan 0.000 0.540 182 T N 1.552 116.136 114.554 0.051 0.000 2.653 182 T HA -0.205 4.144 4.350 -0.001 0.000 0.268 182 T C 1.578 176.073 174.700 -0.341 0.000 1.035 182 T CA 1.990 64.015 62.100 -0.126 0.000 1.154 182 T CB -0.164 68.613 68.868 -0.151 0.000 0.862 182 T HN 0.705 nan 8.240 nan 0.000 0.441 183 E N 1.376 121.488 120.200 -0.148 0.000 2.208 183 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 183 E C 1.335 178.020 176.600 0.142 0.000 0.988 183 E CA 1.099 57.518 56.400 0.032 0.000 0.828 183 E CB -0.338 29.450 29.700 0.147 0.000 0.763 183 E HN 0.445 nan 8.360 nan 0.000 0.478 184 D N 0.578 121.005 120.400 0.045 0.000 2.117 184 D HA -0.078 4.562 4.640 -0.001 0.000 0.198 184 D C 1.840 178.169 176.300 0.047 0.000 0.982 184 D CA 0.879 54.893 54.000 0.022 0.000 0.828 184 D CB -0.463 40.100 40.800 -0.394 0.000 0.967 184 D HN 0.239 nan 8.370 nan 0.000 0.464 185 F N 0.236 120.247 119.950 0.100 0.000 2.186 185 F HA -0.115 4.411 4.527 -0.001 0.000 0.299 185 F C 2.215 178.168 175.800 0.255 0.000 1.090 185 F CA 0.402 58.483 58.000 0.135 0.000 1.307 185 F CB -0.270 38.763 39.000 0.054 0.000 1.019 185 F HN -0.143 nan 8.300 nan 0.000 0.489 186 F N 1.052 121.181 119.950 0.299 0.000 2.091 186 F HA -0.249 4.277 4.527 -0.001 0.000 0.299 186 F C 2.441 178.335 175.800 0.157 0.000 1.103 186 F CA 1.501 59.621 58.000 0.201 0.000 1.228 186 F CB -1.311 37.789 39.000 0.167 0.000 0.984 186 F HN -0.061 nan 8.300 nan 0.000 0.477 187 K N 0.436 121.060 120.400 0.372 0.000 2.026 187 K HA -0.154 4.166 4.320 -0.001 0.000 0.208 187 K C 2.153 178.827 176.600 0.123 0.000 1.048 187 K CA 1.201 57.619 56.287 0.218 0.000 0.929 187 K CB -0.376 32.271 32.500 0.245 0.000 0.713 187 K HN 0.211 nan 8.250 nan 0.000 0.439 188 L N 0.794 122.114 121.223 0.161 0.000 1.989 188 L HA -0.212 4.127 4.340 -0.001 0.000 0.211 188 L C 2.806 179.751 176.870 0.126 0.000 1.071 188 L CA 1.990 56.894 54.840 0.107 0.000 0.749 188 L CB -0.499 41.654 42.059 0.158 0.000 0.890 188 L HN 0.441 nan 8.230 nan 0.000 0.431 189 E N 0.054 120.373 120.200 0.199 0.000 2.046 189 E HA -0.178 4.171 4.350 -0.001 0.000 0.190 189 E C 2.363 179.033 176.600 0.116 0.000 0.982 189 E CA 0.880 57.381 56.400 0.169 0.000 0.800 189 E CB 0.151 29.980 29.700 0.215 0.000 0.756 189 E HN 0.367 nan 8.360 nan 0.000 0.449 190 R N 0.021 120.595 120.500 0.124 0.000 2.080 190 R HA -0.006 4.334 4.340 -0.001 0.000 0.222 190 R C 1.754 178.075 176.300 0.035 0.000 1.107 190 R CA 1.380 57.516 56.100 0.061 0.000 0.980 190 R CB 0.082 30.396 30.300 0.023 0.000 0.879 190 R HN 0.185 nan 8.270 nan 0.000 0.439 191 D N 0.063 120.488 120.400 0.040 0.000 2.269 191 D HA 0.026 4.665 4.640 -0.001 0.000 0.220 191 D C 1.765 178.059 176.300 -0.010 0.000 0.962 191 D CA 1.099 55.104 54.000 0.009 0.000 0.884 191 D CB 0.146 40.948 40.800 0.003 0.000 1.023 191 D HN 0.101 nan 8.370 nan 0.000 0.484 192 M N -0.194 119.396 119.600 -0.017 0.000 2.509 192 M HA 0.087 4.566 4.480 -0.001 0.000 0.250 192 M C -0.131 176.165 176.300 -0.007 0.000 1.132 192 M CA 0.162 55.439 55.300 -0.038 0.000 1.080 192 M CB 0.301 32.848 32.600 -0.088 0.000 1.408 192 M HN -0.264 nan 8.290 nan 0.000 0.484 193 K N 0.995 121.405 120.400 0.018 0.000 3.071 193 K HA -0.123 4.197 4.320 -0.001 0.000 0.265 193 K C -0.946 175.675 176.600 0.036 0.000 1.060 193 K CA 0.541 56.845 56.287 0.030 0.000 0.767 193 K CB -2.027 30.484 32.500 0.018 0.000 1.241 193 K HN 0.363 nan 8.250 nan 0.000 0.486 194 I N 0.771 121.369 120.570 0.048 0.000 2.353 194 I HA 0.158 4.327 4.170 -0.001 0.000 0.293 194 I C 0.423 176.591 176.117 0.086 0.000 0.992 194 I CA -0.838 60.496 61.300 0.057 0.000 1.268 194 I CB 1.199 39.229 38.000 0.051 0.000 1.387 194 I HN 0.108 nan 8.210 nan 0.000 0.478 195 N N 5.246 123.991 118.700 0.075 0.000 2.425 195 N HA 0.207 4.947 4.740 -0.001 0.000 0.268 195 N C 0.015 175.577 175.510 0.088 0.000 0.991 195 N CA -0.499 52.600 53.050 0.081 0.000 0.931 195 N CB 1.374 39.894 38.487 0.055 0.000 1.130 195 N HN 0.605 nan 8.380 nan 0.000 0.493 196 C N 1.113 120.483 119.300 0.116 0.000 2.626 196 C HA 0.213 4.673 4.460 -0.001 0.000 0.266 196 C C 1.305 176.337 174.990 0.070 0.000 1.317 196 C CA -0.340 58.749 59.018 0.119 0.000 1.716 196 C CB -1.575 26.287 27.740 0.203 0.000 1.819 196 C HN 0.736 nan 8.230 nan 0.000 0.578 197 S N 0.574 116.304 115.700 0.051 0.000 2.555 197 S HA 0.360 4.829 4.470 -0.001 0.000 0.293 197 S C 1.360 175.971 174.600 0.020 0.000 1.248 197 S CA 1.289 59.506 58.200 0.028 0.000 1.096 197 S CB -0.227 62.987 63.200 0.024 0.000 0.881 197 S HN 1.101 nan 8.310 nan 0.000 0.498 198 G N 4.110 112.917 108.800 0.011 0.000 2.162 198 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.260 198 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.260 198 G C 0.021 174.921 174.900 -0.000 0.000 0.976 198 G CA 0.271 45.372 45.100 0.002 0.000 0.655 198 G HN 0.646 nan 8.290 nan 0.000 0.533 199 K N -0.091 120.317 120.400 0.012 0.000 2.095 199 K HA 0.663 4.983 4.320 -0.001 0.000 0.252 199 K C 0.515 177.123 176.600 0.012 0.000 0.977 199 K CA -0.923 55.370 56.287 0.010 0.000 0.900 199 K CB 1.467 33.986 32.500 0.031 0.000 1.060 199 K HN 0.227 nan 8.250 nan 0.000 0.449 200 I N 2.011 122.581 120.570 0.000 0.000 2.342 200 I HA 0.082 4.251 4.170 -0.001 0.000 0.291 200 I C 0.279 176.422 176.117 0.044 0.000 1.010 200 I CA -0.913 60.393 61.300 0.010 0.000 1.308 200 I CB 1.267 39.259 38.000 -0.014 0.000 1.400 200 I HN 0.220 nan 8.210 nan 0.000 0.488 201 V N 5.690 125.646 119.914 0.070 0.000 2.539 201 V HA 0.590 4.709 4.120 -0.001 0.000 0.292 201 V C -0.394 175.763 176.094 0.104 0.000 1.045 201 V CA -0.677 61.687 62.300 0.106 0.000 0.945 201 V CB 1.927 33.846 31.823 0.160 0.000 0.993 201 V HN 0.670 nan 8.190 nan 0.000 0.464 202 I N 3.979 124.636 120.570 0.145 0.000 2.406 202 I HA 0.845 5.014 4.170 -0.001 0.000 0.290 202 I C 0.052 176.311 176.117 0.236 0.000 0.999 202 I CA -0.519 60.898 61.300 0.195 0.000 1.124 202 I CB 1.211 39.338 38.000 0.211 0.000 1.289 202 I HN 1.074 nan 8.210 nan 0.000 0.441 203 A N 7.505 130.424 122.820 0.165 0.000 2.386 203 A HA 0.716 5.036 4.320 -0.001 0.000 0.311 203 A C -0.733 176.849 177.584 -0.002 0.000 1.068 203 A CA -0.879 51.177 52.037 0.033 0.000 0.743 203 A CB 1.159 20.116 19.000 -0.072 0.000 1.258 203 A HN 0.829 nan 8.150 nan 0.000 0.429 204 R N 1.527 121.948 120.500 -0.131 0.000 2.441 204 R HA 0.447 4.787 4.340 -0.001 0.000 0.284 204 R C -1.072 175.167 176.300 -0.101 0.000 1.070 204 R CA -0.345 55.484 56.100 -0.452 0.000 1.047 204 R CB 0.460 30.445 30.300 -0.524 0.000 1.016 204 R HN 0.655 nan 8.270 nan 0.000 0.477 205 Y N 1.016 121.264 120.300 -0.086 0.000 2.426 205 Y HA 0.300 4.849 4.550 -0.001 0.000 0.344 205 Y C 1.361 177.471 175.900 0.351 0.000 1.256 205 Y CA 1.408 59.585 58.100 0.128 0.000 1.451 205 Y CB 1.140 39.641 38.460 0.068 0.000 1.342 205 Y HN 1.019 nan 8.280 nan 0.000 0.600 206 G N 1.453 110.551 108.800 0.497 0.000 2.406 206 G HA2 0.060 4.020 3.960 -0.001 0.000 0.680 206 G HA3 0.060 4.020 3.960 -0.001 0.000 0.680 206 G C -0.311 174.562 174.900 -0.044 0.000 1.338 206 G CA -0.455 44.773 45.100 0.212 0.000 0.941 206 G HN 0.524 nan 8.290 nan 0.000 0.633 207 K N -3.453 116.816 120.400 -0.219 0.000 5.503 207 K HA -0.268 4.051 4.320 -0.001 0.000 0.447 207 K C 1.031 177.603 176.600 -0.047 0.000 0.396 207 K CA 2.932 59.050 56.287 -0.282 0.000 1.904 207 K CB -2.402 29.740 32.500 -0.597 0.000 0.786 207 K HN 2.346 nan 8.250 nan 0.000 0.639 208 V N -2.543 117.405 119.914 0.056 0.000 3.159 208 V HA 0.713 4.833 4.120 -0.001 0.000 0.308 208 V C 0.072 176.285 176.094 0.199 0.000 1.190 208 V CA -1.117 61.265 62.300 0.136 0.000 1.037 208 V CB 1.918 33.783 31.823 0.070 0.000 1.060 208 V HN 0.151 nan 8.190 nan 0.000 0.437 209 F N 3.618 123.469 119.950 -0.165 0.000 2.629 209 F HA 0.309 4.836 4.527 -0.001 0.000 0.377 209 F C 1.860 177.610 175.800 -0.084 0.000 1.101 209 F CA 0.378 58.124 58.000 -0.423 0.000 1.301 209 F CB 0.943 39.464 39.000 -0.798 0.000 1.062 209 F HN 0.865 nan 8.300 nan 0.000 0.583 210 R N 3.411 123.545 120.500 -0.609 0.000 2.152 210 R HA -0.044 4.295 4.340 -0.001 0.000 0.232 210 R C 1.888 177.774 176.300 -0.691 0.000 1.117 210 R CA 1.311 57.141 56.100 -0.450 0.000 0.981 210 R CB -1.271 28.956 30.300 -0.122 0.000 0.870 210 R HN 0.775 nan 8.270 nan 0.000 0.451 211 G N 1.263 109.169 108.800 -1.491 0.000 2.422 211 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.218 211 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.218 211 G C 0.936 175.689 174.900 -0.244 0.000 1.146 211 G CA 1.035 45.708 45.100 -0.713 0.000 0.769 211 G HN 0.436 nan 8.290 nan 0.000 0.547 212 N N 0.379 118.998 118.700 -0.135 0.000 2.188 212 N HA -0.029 4.710 4.740 -0.001 0.000 0.184 212 N C 2.116 177.603 175.510 -0.038 0.000 1.018 212 N CA 1.102 54.140 53.050 -0.019 0.000 0.858 212 N CB -0.090 38.423 38.487 0.044 0.000 0.989 212 N HN 0.324 nan 8.380 nan 0.000 0.426 213 K N 0.235 120.598 120.400 -0.062 0.000 2.032 213 K HA -0.090 4.230 4.320 -0.001 0.000 0.209 213 K C 1.803 178.396 176.600 -0.013 0.000 1.048 213 K CA 1.117 57.405 56.287 0.002 0.000 0.927 213 K CB -0.285 32.198 32.500 -0.029 0.000 0.712 213 K HN 0.025 nan 8.250 nan 0.000 0.441 214 V N 1.813 121.678 119.914 -0.082 0.000 2.358 214 V HA -0.228 3.891 4.120 -0.001 0.000 0.246 214 V C 2.375 178.420 176.094 -0.082 0.000 1.047 214 V CA 1.591 63.847 62.300 -0.075 0.000 1.035 214 V CB -0.392 31.375 31.823 -0.092 0.000 0.658 214 V HN 0.329 nan 8.190 nan 0.000 0.452 215 K N 0.387 120.737 120.400 -0.083 0.000 2.026 215 K HA -0.224 4.095 4.320 -0.001 0.000 0.208 215 K C 2.039 178.553 176.600 -0.144 0.000 1.048 215 K CA 1.886 58.120 56.287 -0.089 0.000 0.929 215 K CB -0.168 32.291 32.500 -0.068 0.000 0.713 215 K HN 0.438 nan 8.250 nan 0.000 0.439 216 N N 0.855 119.461 118.700 -0.156 0.000 2.120 216 N HA -0.161 4.578 4.740 -0.001 0.000 0.188 216 N C 1.694 176.780 175.510 -0.708 0.000 1.024 216 N CA 1.508 54.358 53.050 -0.334 0.000 0.852 216 N CB -0.535 37.877 38.487 -0.126 0.000 1.003 216 N HN 0.316 nan 8.380 nan 0.000 0.424 217 A N 1.214 123.779 122.820 -0.425 0.000 1.902 217 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 217 A C 2.182 179.617 177.584 -0.247 0.000 1.181 217 A CA 1.269 53.109 52.037 -0.327 0.000 0.623 217 A CB -0.593 18.417 19.000 0.017 0.000 0.818 217 A HN 0.322 nan 8.150 nan 0.000 0.443 218 Q N -0.472 119.225 119.800 -0.173 0.000 2.061 218 Q HA -0.120 4.220 4.340 -0.001 0.000 0.204 218 Q C 2.061 177.980 176.000 -0.134 0.000 0.984 218 Q CA 1.537 57.270 55.803 -0.117 0.000 0.846 218 Q CB -0.335 28.351 28.738 -0.086 0.000 0.902 218 Q HN 0.688 nan 8.270 nan 0.000 0.421 219 L N -0.100 121.015 121.223 -0.180 0.000 2.201 219 L HA -0.100 4.240 4.340 -0.001 0.000 0.212 219 L C 2.210 178.984 176.870 -0.160 0.000 1.105 219 L CA 0.602 55.354 54.840 -0.148 0.000 0.775 219 L CB -0.429 41.550 42.059 -0.133 0.000 0.913 219 L HN 0.168 nan 8.230 nan 0.000 0.440 220 A N -0.252 122.400 122.820 -0.280 0.000 2.239 220 A HA 0.216 4.535 4.320 -0.001 0.000 0.209 220 A C 1.776 179.320 177.584 -0.066 0.000 1.171 220 A CA 0.850 52.774 52.037 -0.189 0.000 0.768 220 A CB -0.507 18.295 19.000 -0.332 0.000 0.790 220 A HN 0.538 nan 8.150 nan 0.000 0.478 221 G N -2.099 106.658 108.800 -0.071 0.000 2.141 221 G HA2 0.103 4.062 3.960 -0.001 0.000 0.242 221 G HA3 0.103 4.062 3.960 -0.001 0.000 0.242 221 G C 0.457 175.350 174.900 -0.013 0.000 0.982 221 G CA 0.289 45.372 45.100 -0.028 0.000 0.662 221 G HN 1.586 nan 8.290 nan 0.000 0.527 222 A N 0.157 122.968 122.820 -0.016 0.000 2.507 222 A HA 0.573 4.893 4.320 -0.001 0.000 0.235 222 A C 1.317 178.897 177.584 -0.006 0.000 1.070 222 A CA 1.271 53.313 52.037 0.009 0.000 0.768 222 A CB 0.253 19.271 19.000 0.029 0.000 1.011 222 A HN 1.229 nan 8.150 nan 0.000 0.502 223 K N 1.087 121.484 120.400 -0.004 0.000 2.358 223 K HA 0.436 4.756 4.320 -0.001 0.000 0.200 223 K C 0.437 177.024 176.600 -0.022 0.000 1.030 223 K CA 0.490 56.767 56.287 -0.016 0.000 1.097 223 K CB 0.308 32.797 32.500 -0.019 0.000 0.862 223 K HN 0.982 nan 8.250 nan 0.000 0.534 224 G N 0.255 109.048 108.800 -0.013 0.000 2.547 224 G HA2 0.432 4.392 3.960 -0.001 0.000 0.291 224 G HA3 0.432 4.392 3.960 -0.001 0.000 0.291 224 G C -1.929 172.973 174.900 0.004 0.000 1.471 224 G CA -0.675 44.415 45.100 -0.016 0.000 0.798 224 G HN -0.050 nan 8.290 nan 0.000 0.504 225 V N 0.749 120.665 119.914 0.004 0.000 2.638 225 V HA 0.561 4.680 4.120 -0.001 0.000 0.306 225 V C -0.411 175.691 176.094 0.013 0.000 1.052 225 V CA -0.591 61.717 62.300 0.013 0.000 0.885 225 V CB 1.763 33.581 31.823 -0.008 0.000 0.999 225 V HN 0.681 nan 8.190 nan 0.000 0.424 226 I N 5.309 125.899 120.570 0.032 0.000 2.362 226 I HA 0.471 4.641 4.170 -0.001 0.000 0.289 226 I C -0.640 175.481 176.117 0.007 0.000 0.994 226 I CA -0.366 60.962 61.300 0.046 0.000 1.158 226 I CB 1.536 39.591 38.000 0.091 0.000 1.315 226 I HN 0.347 nan 8.210 nan 0.000 0.451 227 L N 7.399 128.550 121.223 -0.120 0.000 2.322 227 L HA 0.552 4.891 4.340 -0.001 0.000 0.279 227 L C -0.830 175.922 176.870 -0.196 0.000 1.036 227 L CA -0.814 53.802 54.840 -0.372 0.000 0.807 227 L CB 1.271 42.785 42.059 -0.908 0.000 1.226 227 L HN 0.531 nan 8.230 nan 0.000 0.433 228 Y N -0.252 119.905 120.300 -0.237 0.000 2.588 228 Y HA 0.593 5.143 4.550 -0.001 0.000 0.343 228 Y C -0.890 175.131 175.900 0.202 0.000 1.065 228 Y CA -1.145 56.967 58.100 0.019 0.000 1.038 228 Y CB 1.546 40.051 38.460 0.076 0.000 1.297 228 Y HN 0.351 nan 8.280 nan 0.000 0.467 229 S N 2.988 118.805 115.700 0.194 0.000 2.411 229 S HA 0.113 4.583 4.470 -0.001 0.000 0.294 229 S C -0.863 173.925 174.600 0.314 0.000 1.115 229 S CA -0.643 57.627 58.200 0.117 0.000 1.071 229 S CB 0.051 63.204 63.200 -0.078 0.000 0.967 229 S HN 0.665 nan 8.310 nan 0.000 0.488 230 D N 3.223 123.721 120.400 0.163 0.000 2.304 230 D HA 0.180 4.820 4.640 -0.001 0.000 0.250 230 D C -1.714 174.702 176.300 0.193 0.000 1.107 230 D CA -2.085 52.077 54.000 0.270 0.000 0.885 230 D CB 1.549 42.455 40.800 0.177 0.000 1.192 230 D HN 0.115 nan 8.370 nan 0.000 0.436 231 P HA -0.113 nan 4.420 nan 0.000 0.219 231 P C 0.928 178.239 177.300 0.019 0.000 1.146 231 P CA 1.065 64.050 63.100 -0.192 0.000 0.808 231 P CB 0.133 31.486 31.700 -0.578 0.000 0.779 232 A N -0.029 122.806 122.820 0.025 0.000 1.986 232 A HA -0.219 4.101 4.320 -0.001 0.000 0.220 232 A C 1.828 179.438 177.584 0.044 0.000 1.171 232 A CA 2.072 54.132 52.037 0.037 0.000 0.640 232 A CB -0.991 18.018 19.000 0.014 0.000 0.811 232 A HN 0.169 nan 8.150 nan 0.000 0.451 233 D N -3.426 116.991 120.400 0.028 0.000 2.417 233 D HA 0.150 4.789 4.640 -0.001 0.000 0.207 233 D C -0.150 175.826 176.300 -0.541 0.000 1.075 233 D CA 0.441 54.318 54.000 -0.205 0.000 0.851 233 D CB 0.271 40.962 40.800 -0.181 0.000 0.976 233 D HN 0.618 nan 8.370 nan 0.000 0.505 234 Y N -0.643 119.739 120.300 0.136 0.000 2.779 234 Y HA 0.258 4.807 4.550 -0.000 0.000 0.251 234 Y C -0.562 175.381 175.900 0.071 0.000 1.145 234 Y CA -0.586 57.575 58.100 0.101 0.000 1.201 234 Y CB 0.767 39.307 38.460 0.132 0.000 1.281 234 Y HN -0.216 nan 8.280 nan 0.000 0.563 235 F N 1.445 121.367 119.950 -0.046 0.000 2.659 235 F HA 0.762 5.288 4.527 -0.001 0.000 0.342 235 F C -0.317 175.377 175.800 -0.176 0.000 1.168 235 F CA -1.315 56.599 58.000 -0.142 0.000 1.003 235 F CB 0.605 39.514 39.000 -0.152 0.000 1.267 235 F HN -0.046 nan 8.300 nan 0.000 0.463 236 A N 6.958 129.465 122.820 -0.521 0.000 2.454 236 A HA 0.528 4.847 4.320 -0.001 0.000 0.260 236 A C -2.561 174.862 177.584 -0.268 0.000 1.106 236 A CA -1.396 50.463 52.037 -0.295 0.000 0.780 236 A CB -0.350 18.392 19.000 -0.430 0.000 1.044 236 A HN 0.513 nan 8.150 nan 0.000 0.498 237 P HA 0.214 nan 4.420 nan 0.000 0.264 237 P C 1.062 178.325 177.300 -0.062 0.000 1.183 237 P CA 1.959 65.081 63.100 0.037 0.000 0.763 237 P CB 0.632 32.364 31.700 0.055 0.000 0.807 238 G N 0.926 109.702 108.800 -0.039 0.000 2.159 238 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.256 238 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.256 238 G C -0.012 174.774 174.900 -0.190 0.000 0.977 238 G CA -0.098 44.957 45.100 -0.075 0.000 0.652 238 G HN 0.530 nan 8.290 nan 0.000 0.531 239 V N 0.662 120.336 119.914 -0.399 0.000 2.769 239 V HA 0.677 4.797 4.120 -0.001 0.000 0.312 239 V C 0.113 175.825 176.094 -0.636 0.000 1.061 239 V CA -1.330 60.591 62.300 -0.631 0.000 0.931 239 V CB 2.001 33.121 31.823 -1.172 0.000 1.010 239 V HN 0.151 nan 8.190 nan 0.000 0.433 240 K N 1.242 121.331 120.400 -0.519 0.000 2.087 240 K HA 0.523 4.842 4.320 -0.001 0.000 0.255 240 K C 0.122 176.468 176.600 -0.423 0.000 0.988 240 K CA -0.275 55.815 56.287 -0.329 0.000 0.915 240 K CB 1.513 33.889 32.500 -0.207 0.000 1.043 240 K HN 0.688 nan 8.250 nan 0.000 0.457 241 S N 1.010 116.605 115.700 -0.176 0.000 2.579 241 S HA 0.013 4.483 4.470 -0.001 0.000 0.275 241 S C -0.156 174.350 174.600 -0.156 0.000 1.345 241 S CA -0.323 57.814 58.200 -0.105 0.000 1.031 241 S CB 0.041 63.277 63.200 0.062 0.000 0.892 241 S HN 0.358 nan 8.310 nan 0.000 0.529 242 Y N 4.644 124.803 120.300 -0.235 0.000 2.712 242 Y HA 0.088 4.638 4.550 -0.001 0.000 0.333 242 Y C -1.165 174.636 175.900 -0.164 0.000 1.225 242 Y CA -1.120 56.869 58.100 -0.184 0.000 1.499 242 Y CB 0.594 38.937 38.460 -0.195 0.000 1.288 242 Y HN 0.450 nan 8.280 nan 0.000 0.575 243 P HA 0.043 nan 4.420 nan 0.000 0.255 243 P C -0.187 176.885 177.300 -0.381 0.000 1.248 243 P CA 0.649 63.092 63.100 -1.095 0.000 0.807 243 P CB 0.566 31.921 31.700 -0.574 0.000 1.150 244 D N -0.168 120.093 120.400 -0.232 0.000 2.360 244 D HA 0.196 4.836 4.640 -0.001 0.000 0.210 244 D C 1.285 177.452 176.300 -0.221 0.000 1.047 244 D CA 0.614 54.584 54.000 -0.050 0.000 0.854 244 D CB 1.050 41.818 40.800 -0.053 0.000 0.936 244 D HN 0.234 nan 8.370 nan 0.000 0.514 245 G N 0.077 108.477 108.800 -0.667 0.000 2.561 245 G HA2 0.229 4.189 3.960 -0.001 0.000 0.310 245 G HA3 0.229 4.189 3.960 -0.001 0.000 0.310 245 G C -0.918 173.413 174.900 -0.949 0.000 1.292 245 G CA -0.640 43.742 45.100 -1.197 0.000 0.811 245 G HN 0.107 nan 8.290 nan 0.000 0.482 246 W N 0.574 121.456 121.300 -0.697 0.000 3.239 246 W HA 0.410 5.070 4.660 -0.001 0.000 0.368 246 W C -0.491 175.919 176.519 -0.182 0.000 1.154 246 W CA -0.717 56.463 57.345 -0.276 0.000 1.860 246 W CB -0.414 28.942 29.460 -0.174 0.000 1.094 246 W HN 0.080 nan 8.180 nan 0.000 0.643 247 N N 1.904 120.340 118.700 -0.440 0.000 2.483 247 N HA 0.173 4.913 4.740 -0.001 0.000 0.269 247 N C -0.681 174.793 175.510 -0.060 0.000 1.209 247 N CA -0.518 52.274 53.050 -0.429 0.000 0.969 247 N CB 1.370 39.231 38.487 -1.044 0.000 1.173 247 N HN -0.038 nan 8.380 nan 0.000 0.475 248 L N 3.663 124.951 121.223 0.108 0.000 2.313 248 L HA 0.380 4.719 4.340 -0.001 0.000 0.282 248 L C -2.124 174.910 176.870 0.272 0.000 1.092 248 L CA -1.317 53.654 54.840 0.218 0.000 0.831 248 L CB 0.470 42.715 42.059 0.309 0.000 1.159 248 L HN 0.454 nan 8.230 nan 0.000 0.442 249 P HA 0.167 nan 4.420 nan 0.000 0.274 249 P C 0.456 177.405 177.300 -0.586 0.000 1.246 249 P CA -0.294 62.730 63.100 -0.126 0.000 0.795 249 P CB 0.619 32.184 31.700 -0.225 0.000 1.006 250 G N 0.365 108.419 108.800 -1.244 0.000 2.509 250 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.218 250 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.218 250 G C 1.415 175.506 174.900 -1.349 0.000 1.124 250 G CA 0.691 44.271 45.100 -2.534 0.000 0.776 250 G HN 0.646 nan 8.290 nan 0.000 0.547 251 G N 0.066 108.497 108.800 -0.614 0.000 2.939 251 G HA2 0.386 4.345 3.960 -0.001 0.000 0.210 251 G HA3 0.386 4.345 3.960 -0.001 0.000 0.210 251 G C 0.852 175.750 174.900 -0.003 0.000 1.160 251 G CA 0.399 45.423 45.100 -0.126 0.000 0.770 251 G HN 0.571 nan 8.290 nan 0.000 0.543 252 G N -0.382 108.422 108.800 0.007 0.000 2.483 252 G HA2 0.449 4.409 3.960 -0.001 0.000 0.248 252 G HA3 0.449 4.409 3.960 -0.001 0.000 0.248 252 G C -1.031 173.883 174.900 0.023 0.000 1.248 252 G CA -0.053 45.160 45.100 0.189 0.000 0.838 252 G HN 0.248 nan 8.290 nan 0.000 0.566 253 V N 1.325 121.236 119.914 -0.005 0.000 2.888 253 V HA 0.335 4.454 4.120 -0.001 0.000 0.309 253 V C -0.288 175.725 176.094 -0.135 0.000 1.114 253 V CA -0.871 61.397 62.300 -0.053 0.000 0.940 253 V CB 1.980 33.769 31.823 -0.057 0.000 1.021 253 V HN 0.848 nan 8.190 nan 0.000 0.426 254 Q N 3.765 123.447 119.800 -0.196 0.000 2.349 254 Q HA 0.455 4.795 4.340 -0.001 0.000 0.254 254 Q C -0.071 175.706 176.000 -0.371 0.000 0.980 254 Q CA -0.510 55.066 55.803 -0.379 0.000 0.924 254 Q CB 0.834 29.121 28.738 -0.751 0.000 1.209 254 Q HN 0.641 nan 8.270 nan 0.000 0.445 255 R N 1.509 121.700 120.500 -0.516 0.000 2.726 255 R HA 0.652 4.992 4.340 -0.001 0.000 0.272 255 R C -0.101 175.640 176.300 -0.931 0.000 1.097 255 R CA 0.639 56.197 56.100 -0.903 0.000 1.198 255 R CB 0.861 30.319 30.300 -1.403 0.000 1.114 255 R HN 0.848 nan 8.270 nan 0.000 0.550 256 G N 0.428 108.532 108.800 -1.159 0.000 2.368 256 G HA2 0.033 3.993 3.960 -0.001 0.000 0.301 256 G HA3 0.033 3.993 3.960 -0.001 0.000 0.301 256 G C -1.694 173.000 174.900 -0.343 0.000 1.640 256 G CA -1.080 43.706 45.100 -0.524 0.000 0.941 256 G HN 0.733 nan 8.290 nan 0.000 0.695 257 N N -0.892 117.819 118.700 0.018 0.000 2.503 257 N HA 0.530 5.269 4.740 -0.001 0.000 0.267 257 N C 0.876 176.429 175.510 0.071 0.000 1.214 257 N CA -0.288 52.829 53.050 0.112 0.000 0.959 257 N CB 1.123 39.825 38.487 0.359 0.000 1.142 257 N HN 0.923 nan 8.380 nan 0.000 0.455 258 I N -2.025 118.584 120.570 0.066 0.000 3.569 258 I HA 0.336 4.506 4.170 -0.001 0.000 0.334 258 I C -0.697 175.423 176.117 0.005 0.000 1.570 258 I CA -0.720 60.541 61.300 -0.066 0.000 1.082 258 I CB -0.171 37.781 38.000 -0.080 0.000 1.323 258 I HN 0.271 nan 8.210 nan 0.000 0.489 259 L N 1.300 122.577 121.223 0.090 0.000 2.466 259 L HA 0.357 4.697 4.340 -0.001 0.000 0.257 259 L C 0.431 177.367 176.870 0.110 0.000 1.189 259 L CA -0.136 54.714 54.840 0.016 0.000 0.813 259 L CB 0.383 42.370 42.059 -0.119 0.000 1.118 259 L HN 0.331 nan 8.230 nan 0.000 0.471 260 N N 2.055 120.772 118.700 0.028 0.000 2.844 260 N HA 0.232 4.972 4.740 -0.001 0.000 0.268 260 N C 0.452 175.946 175.510 -0.027 0.000 1.574 260 N CA -0.065 53.012 53.050 0.045 0.000 0.838 260 N CB 1.190 39.688 38.487 0.019 0.000 1.177 260 N HN 0.538 nan 8.380 nan 0.000 0.495 261 L N 0.285 121.477 121.223 -0.051 0.000 2.341 261 L HA 0.059 4.398 4.340 -0.001 0.000 0.214 261 L C 0.298 177.084 176.870 -0.140 0.000 1.115 261 L CA 0.192 54.966 54.840 -0.110 0.000 0.820 261 L CB -0.178 41.793 42.059 -0.148 0.000 0.944 261 L HN 0.324 nan 8.230 nan 0.000 0.452 262 N N 0.953 119.569 118.700 -0.139 0.000 2.710 262 N HA -0.229 4.511 4.740 -0.001 0.000 0.249 262 N C 1.004 176.071 175.510 -0.739 0.000 1.059 262 N CA 1.089 53.897 53.050 -0.405 0.000 0.720 262 N CB -1.420 36.839 38.487 -0.380 0.000 0.983 262 N HN 0.617 nan 8.380 nan 0.000 0.544 263 G N -2.362 106.239 108.800 -0.332 0.000 2.175 263 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.244 263 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.244 263 G C 0.989 175.674 174.900 -0.360 0.000 0.982 263 G CA 0.788 45.739 45.100 -0.248 0.000 0.641 263 G HN 0.955 nan 8.290 nan 0.000 0.527 264 A N -0.260 122.358 122.820 -0.337 0.000 2.014 264 A HA 0.540 4.860 4.320 -0.001 0.000 0.218 264 A C 2.673 179.921 177.584 -0.560 0.000 1.163 264 A CA 2.224 53.922 52.037 -0.566 0.000 0.652 264 A CB -0.497 18.375 19.000 -0.213 0.000 0.808 264 A HN 2.662 nan 8.150 nan 0.000 0.449 265 G N -0.304 108.265 108.800 -0.385 0.000 2.512 265 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.240 265 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.240 265 G C -0.238 174.513 174.900 -0.248 0.000 1.246 265 G CA 0.151 45.053 45.100 -0.329 0.000 0.919 265 G HN 0.906 nan 8.290 nan 0.000 0.577 266 D N 1.662 121.933 120.400 -0.214 0.000 2.586 266 D HA 0.304 4.943 4.640 -0.001 0.000 0.234 266 D C -0.510 175.706 176.300 -0.140 0.000 1.132 266 D CA -0.323 53.591 54.000 -0.143 0.000 0.860 266 D CB 0.830 41.564 40.800 -0.109 0.000 1.159 266 D HN 0.086 nan 8.370 nan 0.000 0.490 267 P HA -0.108 nan 4.420 nan 0.000 0.219 267 P C 0.998 178.257 177.300 -0.068 0.000 1.146 267 P CA 1.064 64.088 63.100 -0.126 0.000 0.808 267 P CB 0.129 31.740 31.700 -0.148 0.000 0.779 268 L N -2.101 119.090 121.223 -0.053 0.000 2.529 268 L HA 0.103 4.443 4.340 -0.001 0.000 0.223 268 L C 0.803 177.665 176.870 -0.014 0.000 1.113 268 L CA 0.962 55.779 54.840 -0.040 0.000 0.861 268 L CB -0.588 41.440 42.059 -0.052 0.000 1.012 268 L HN 0.050 nan 8.230 nan 0.000 0.461 269 T N -2.863 111.685 114.554 -0.011 0.000 3.584 269 T HA 0.288 4.638 4.350 -0.001 0.000 0.259 269 T C -2.650 172.070 174.700 0.033 0.000 1.009 269 T CA -1.475 60.656 62.100 0.052 0.000 1.103 269 T CB 0.089 68.972 68.868 0.026 0.000 1.099 269 T HN -0.159 nan 8.240 nan 0.000 0.539 270 P HA 0.306 nan 4.420 nan 0.000 0.263 270 P C 1.190 178.476 177.300 -0.024 0.000 1.195 270 P CA 1.121 64.179 63.100 -0.069 0.000 0.762 270 P CB 0.544 32.320 31.700 0.126 0.000 0.799 271 G N 2.021 110.602 108.800 -0.366 0.000 2.213 271 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.236 271 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.236 271 G C -0.540 173.735 174.900 -1.042 0.000 0.991 271 G CA -0.248 44.480 45.100 -0.620 0.000 0.629 271 G HN 0.523 nan 8.290 nan 0.000 0.517 272 Y N 0.715 120.958 120.300 -0.095 0.000 2.534 272 Y HA 0.584 5.134 4.550 -0.001 0.000 0.345 272 Y C -2.338 173.491 175.900 -0.118 0.000 1.031 272 Y CA -2.245 55.810 58.100 -0.076 0.000 1.022 272 Y CB 2.098 40.546 38.460 -0.019 0.000 1.292 272 Y HN -0.027 nan 8.280 nan 0.000 0.459 273 P HA 0.155 nan 4.420 nan 0.000 0.271 273 P C -0.504 176.806 177.300 0.017 0.000 1.218 273 P CA -0.202 62.876 63.100 -0.036 0.000 0.780 273 P CB 1.076 32.801 31.700 0.042 0.000 0.901 274 A N 2.845 125.693 122.820 0.045 0.000 3.063 274 A HA 0.133 4.453 4.320 -0.001 0.000 0.263 274 A C 0.807 178.450 177.584 0.099 0.000 1.736 274 A CA -0.435 51.636 52.037 0.056 0.000 1.408 274 A CB -1.718 17.308 19.000 0.045 0.000 1.108 274 A HN 0.655 nan 8.150 nan 0.000 0.621 275 N N -0.581 118.091 118.700 -0.046 0.000 2.431 275 N HA 0.121 4.861 4.740 -0.001 0.000 0.289 275 N C 0.682 176.080 175.510 -0.186 0.000 1.277 275 N CA -0.465 52.490 53.050 -0.158 0.000 0.972 275 N CB 0.303 38.623 38.487 -0.279 0.000 1.143 275 N HN 0.216 nan 8.380 nan 0.000 0.578 276 E N -1.037 119.084 120.200 -0.133 0.000 2.110 276 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 276 E C 0.888 177.494 176.600 0.010 0.000 0.988 276 E CA 1.310 57.708 56.400 -0.004 0.000 0.804 276 E CB -0.332 29.428 29.700 0.100 0.000 0.745 276 E HN 0.806 nan 8.360 nan 0.000 0.458 277 Y N -0.898 119.424 120.300 0.036 0.000 2.493 277 Y HA 0.596 5.146 4.550 -0.001 0.000 0.275 277 Y C 0.505 176.432 175.900 0.046 0.000 1.183 277 Y CA -0.525 57.596 58.100 0.034 0.000 1.258 277 Y CB -0.350 38.126 38.460 0.026 0.000 1.108 277 Y HN -0.217 nan 8.280 nan 0.000 0.521 278 A N 1.393 124.090 122.820 -0.205 0.000 2.445 278 A HA 0.155 4.475 4.320 -0.001 0.000 0.242 278 A C -0.762 176.851 177.584 0.048 0.000 1.075 278 A CA -0.409 51.564 52.037 -0.108 0.000 0.777 278 A CB -0.342 18.593 19.000 -0.108 0.000 1.013 278 A HN 0.646 nan 8.150 nan 0.000 0.493 279 Y N 1.986 122.271 120.300 -0.025 0.000 2.316 279 Y HA 0.610 5.160 4.550 -0.000 0.000 0.331 279 Y C 0.132 176.027 175.900 -0.008 0.000 1.083 279 Y CA -0.535 57.560 58.100 -0.009 0.000 1.206 279 Y CB 0.630 39.079 38.460 -0.018 0.000 1.195 279 Y HN 0.665 nan 8.280 nan 0.000 0.497 280 R N 4.836 124.912 120.500 -0.707 0.000 2.532 280 R HA 0.424 4.764 4.340 -0.001 0.000 0.295 280 R C -0.517 175.294 176.300 -0.814 0.000 0.968 280 R CA -0.790 54.988 56.100 -0.538 0.000 0.916 280 R CB 1.089 31.231 30.300 -0.263 0.000 1.124 280 R HN 0.783 nan 8.270 nan 0.000 0.463 281 R N 0.508 120.778 120.500 -0.383 0.000 2.734 281 R HA 0.186 4.526 4.340 -0.001 0.000 0.266 281 R C 0.580 176.785 176.300 -0.158 0.000 1.044 281 R CA 0.376 56.361 56.100 -0.191 0.000 1.128 281 R CB 0.342 30.633 30.300 -0.014 0.000 1.010 281 R HN 0.776 nan 8.270 nan 0.000 0.461 282 G N 1.385 110.134 108.800 -0.086 0.000 2.569 282 G HA2 0.054 4.014 3.960 -0.001 0.000 0.249 282 G HA3 0.054 4.014 3.960 -0.001 0.000 0.249 282 G C 1.269 176.156 174.900 -0.021 0.000 1.216 282 G CA -0.700 44.371 45.100 -0.048 0.000 0.845 282 G HN 0.495 nan 8.290 nan 0.000 0.568 283 I N 1.517 122.083 120.570 -0.007 0.000 2.185 283 I HA -0.298 3.872 4.170 -0.001 0.000 0.246 283 I C 3.029 179.153 176.117 0.013 0.000 1.088 283 I CA 2.030 63.337 61.300 0.011 0.000 1.347 283 I CB -1.008 37.009 38.000 0.028 0.000 1.041 283 I HN 0.564 nan 8.210 nan 0.000 0.415 284 A N 0.010 122.838 122.820 0.012 0.000 2.070 284 A HA -0.169 4.150 4.320 -0.001 0.000 0.220 284 A C 1.876 179.467 177.584 0.012 0.000 1.159 284 A CA 1.427 53.472 52.037 0.014 0.000 0.656 284 A CB -0.381 18.628 19.000 0.014 0.000 0.800 284 A HN 0.401 nan 8.150 nan 0.000 0.453 285 E N -0.458 119.750 120.200 0.014 0.000 2.476 285 E HA 0.439 4.789 4.350 -0.001 0.000 0.196 285 E C 0.593 177.201 176.600 0.014 0.000 1.029 285 E CA 0.423 56.835 56.400 0.020 0.000 0.896 285 E CB 0.226 29.949 29.700 0.039 0.000 1.012 285 E HN 0.550 nan 8.360 nan 0.000 0.475 286 A N 0.493 123.314 122.820 0.002 0.000 2.466 286 A HA 0.236 4.555 4.320 -0.001 0.000 0.238 286 A C 0.246 177.817 177.584 -0.023 0.000 1.074 286 A CA -0.336 51.694 52.037 -0.012 0.000 0.774 286 A CB 0.428 19.419 19.000 -0.016 0.000 1.015 286 A HN 0.049 nan 8.150 nan 0.000 0.498 287 V N 1.525 121.415 119.914 -0.041 0.000 2.498 287 V HA 0.513 4.633 4.120 -0.001 0.000 0.279 287 V C 1.442 177.481 176.094 -0.092 0.000 1.048 287 V CA 1.059 63.328 62.300 -0.052 0.000 0.967 287 V CB 0.260 32.056 31.823 -0.044 0.000 0.988 287 V HN 1.943 nan 8.190 nan 0.000 0.473 288 G N 4.096 112.852 108.800 -0.074 0.000 2.159 288 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.256 288 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.256 288 G C 0.023 174.870 174.900 -0.088 0.000 0.977 288 G CA 0.029 45.078 45.100 -0.085 0.000 0.652 288 G HN 0.571 nan 8.290 nan 0.000 0.531 289 L N 1.996 123.177 121.223 -0.069 0.000 2.397 289 L HA 0.412 4.752 4.340 -0.001 0.000 0.271 289 L C -1.156 175.713 176.870 -0.001 0.000 1.148 289 L CA -1.882 52.941 54.840 -0.028 0.000 0.825 289 L CB 0.474 42.540 42.059 0.012 0.000 1.117 289 L HN 0.010 nan 8.230 nan 0.000 0.456 290 P HA 0.146 nan 4.420 nan 0.000 0.277 290 P C -0.295 177.014 177.300 0.016 0.000 1.240 290 P CA -0.422 62.684 63.100 0.011 0.000 0.798 290 P CB 1.323 33.035 31.700 0.020 0.000 0.979 291 S N 0.167 115.867 115.700 -0.000 0.000 2.539 291 S HA 0.229 4.699 4.470 -0.001 0.000 0.221 291 S C 0.874 175.473 174.600 -0.002 0.000 0.987 291 S CA -0.329 57.872 58.200 0.001 0.000 0.929 291 S CB -0.561 62.635 63.200 -0.007 0.000 0.832 291 S HN 0.500 nan 8.310 nan 0.000 0.492 292 I N -1.503 119.064 120.570 -0.005 0.000 2.730 292 I HA 0.649 4.819 4.170 -0.001 0.000 0.298 292 I C -3.361 172.751 176.117 -0.009 0.000 1.089 292 I CA -3.154 58.139 61.300 -0.012 0.000 1.041 292 I CB 1.957 39.945 38.000 -0.019 0.000 1.235 292 I HN -0.309 nan 8.210 nan 0.000 0.423 293 P HA 0.327 nan 4.420 nan 0.000 0.272 293 P C -0.988 176.307 177.300 -0.009 0.000 1.223 293 P CA -0.189 62.899 63.100 -0.020 0.000 0.784 293 P CB 1.112 32.775 31.700 -0.061 0.000 0.923 294 V N 2.124 122.047 119.914 0.016 0.000 2.971 294 V HA 0.530 4.649 4.120 -0.001 0.000 0.309 294 V C -0.992 175.161 176.094 0.098 0.000 1.130 294 V CA -0.399 61.916 62.300 0.024 0.000 0.964 294 V CB 2.108 33.923 31.823 -0.012 0.000 1.029 294 V HN 0.649 nan 8.190 nan 0.000 0.427 295 H N 4.005 123.047 119.070 -0.047 0.000 3.085 295 H HA 0.684 5.240 4.556 -0.000 0.000 0.356 295 H C -3.133 172.176 175.328 -0.031 0.000 1.178 295 H CA -1.040 54.993 56.048 -0.024 0.000 1.214 295 H CB 3.511 33.272 29.762 -0.002 0.000 1.881 295 H HN 0.484 nan 8.280 nan 0.000 0.538 296 P HA 0.408 nan 4.420 nan 0.000 0.296 296 P C -1.055 176.108 177.300 -0.228 0.000 1.310 296 P CA -0.721 62.228 63.100 -0.252 0.000 0.900 296 P CB 2.121 33.743 31.700 -0.131 0.000 1.111 297 I N -1.715 118.854 120.570 -0.002 0.000 3.074 297 I HA 0.850 5.020 4.170 -0.001 0.000 0.310 297 I C -0.246 175.954 176.117 0.138 0.000 1.153 297 I CA -1.227 60.118 61.300 0.074 0.000 0.993 297 I CB 2.122 40.209 38.000 0.144 0.000 1.237 297 I HN 0.346 nan 8.210 nan 0.000 0.443 298 G N 0.922 109.777 108.800 0.092 0.000 2.535 298 G HA2 0.294 4.254 3.960 -0.001 0.000 0.303 298 G HA3 0.294 4.254 3.960 -0.001 0.000 0.303 298 G C -0.064 174.908 174.900 0.120 0.000 1.237 298 G CA -0.262 44.866 45.100 0.046 0.000 0.986 298 G HN 0.882 nan 8.290 nan 0.000 0.494 299 Y N -2.310 118.041 120.300 0.085 0.000 2.457 299 Y HA 0.084 4.634 4.550 -0.000 0.000 0.292 299 Y C 2.173 178.129 175.900 0.094 0.000 1.125 299 Y CA 0.372 58.538 58.100 0.111 0.000 1.254 299 Y CB -0.420 38.120 38.460 0.134 0.000 1.012 299 Y HN 0.337 nan 8.280 nan 0.000 0.555 300 Y N 1.593 121.851 120.300 -0.070 0.000 2.128 300 Y HA -0.198 4.352 4.550 -0.001 0.000 0.284 300 Y C 2.055 177.957 175.900 0.003 0.000 1.154 300 Y CA 1.022 59.106 58.100 -0.026 0.000 1.149 300 Y CB -0.945 37.474 38.460 -0.069 0.000 0.976 300 Y HN 0.230 nan 8.280 nan 0.000 0.505 301 D N -0.591 119.949 120.400 0.234 0.000 2.117 301 D HA -0.096 4.543 4.640 -0.001 0.000 0.198 301 D C 2.304 178.665 176.300 0.101 0.000 0.982 301 D CA 1.311 55.474 54.000 0.270 0.000 0.828 301 D CB -0.483 40.497 40.800 0.300 0.000 0.967 301 D HN 0.268 nan 8.370 nan 0.000 0.464 302 A N 0.839 123.672 122.820 0.021 0.000 1.940 302 A HA -0.268 4.051 4.320 -0.001 0.000 0.219 302 A C 2.147 179.557 177.584 -0.290 0.000 1.176 302 A CA 2.027 53.924 52.037 -0.234 0.000 0.631 302 A CB -0.772 17.869 19.000 -0.597 0.000 0.814 302 A HN 0.277 nan 8.150 nan 0.000 0.446 303 Q N -0.341 119.354 119.800 -0.174 0.000 2.135 303 Q HA -0.202 4.137 4.340 -0.001 0.000 0.204 303 Q C 1.770 177.583 176.000 -0.311 0.000 0.981 303 Q CA 1.793 57.466 55.803 -0.216 0.000 0.856 303 Q CB -0.058 28.628 28.738 -0.088 0.000 0.902 303 Q HN 0.488 nan 8.270 nan 0.000 0.425 304 K N 0.150 120.328 120.400 -0.370 0.000 2.148 304 K HA -0.077 4.242 4.320 -0.001 0.000 0.204 304 K C 2.014 178.291 176.600 -0.539 0.000 1.050 304 K CA 0.870 56.784 56.287 -0.622 0.000 0.942 304 K CB -0.052 31.705 32.500 -1.239 0.000 0.724 304 K HN 0.370 nan 8.250 nan 0.000 0.446 305 L N 0.278 121.309 121.223 -0.320 0.000 2.209 305 L HA -0.029 4.311 4.340 -0.001 0.000 0.207 305 L C 2.218 179.004 176.870 -0.139 0.000 1.094 305 L CA 0.588 55.346 54.840 -0.136 0.000 0.790 305 L CB -0.248 41.814 42.059 0.004 0.000 0.932 305 L HN 0.049 nan 8.230 nan 0.000 0.447 306 L N -0.259 120.803 121.223 -0.268 0.000 2.307 306 L HA -0.074 4.265 4.340 -0.001 0.000 0.211 306 L C 2.558 179.237 176.870 -0.317 0.000 1.099 306 L CA 0.484 55.144 54.840 -0.299 0.000 0.816 306 L CB -0.347 41.415 42.059 -0.495 0.000 0.952 306 L HN 0.327 nan 8.230 nan 0.000 0.455 307 E N 0.916 120.896 120.200 -0.367 0.000 2.204 307 E HA -0.245 4.104 4.350 -0.001 0.000 0.195 307 E C 1.550 177.944 176.600 -0.344 0.000 0.990 307 E CA 1.150 57.341 56.400 -0.348 0.000 0.821 307 E CB -0.139 29.351 29.700 -0.350 0.000 0.750 307 E HN 0.412 nan 8.360 nan 0.000 0.477 308 K N -0.021 120.095 120.400 -0.474 0.000 2.404 308 K HA 0.158 4.477 4.320 -0.001 0.000 0.194 308 K C 0.266 176.802 176.600 -0.106 0.000 1.023 308 K CA -0.236 55.730 56.287 -0.534 0.000 1.094 308 K CB 0.264 31.991 32.500 -1.288 0.000 0.841 308 K HN 0.144 nan 8.250 nan 0.000 0.523 309 M N 1.163 120.781 119.600 0.031 0.000 2.251 309 M HA 0.013 4.493 4.480 -0.001 0.000 0.343 309 M C 0.935 177.323 176.300 0.147 0.000 1.245 309 M CA 0.644 56.071 55.300 0.212 0.000 1.061 309 M CB 0.435 33.101 32.600 0.110 0.000 1.723 309 M HN 0.201 nan 8.290 nan 0.000 0.449 310 G N 1.185 110.094 108.800 0.181 0.000 3.175 310 G HA2 0.735 4.695 3.960 -0.001 0.000 0.153 310 G HA3 0.735 4.695 3.960 -0.001 0.000 0.153 310 G C 0.242 175.198 174.900 0.093 0.000 1.216 310 G CA -0.039 45.136 45.100 0.124 0.000 0.943 310 G HN 0.998 nan 8.290 nan 0.000 0.611 311 G N -0.764 108.080 108.800 0.073 0.000 2.547 311 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.271 311 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.271 311 G C 0.464 175.391 174.900 0.045 0.000 1.209 311 G CA 0.351 45.483 45.100 0.054 0.000 0.959 311 G HN 1.488 nan 8.290 nan 0.000 0.563 312 S N 0.805 116.527 115.700 0.037 0.000 2.576 312 S HA 0.583 5.053 4.470 -0.001 0.000 0.276 312 S C 0.981 175.597 174.600 0.027 0.000 1.339 312 S CA 0.290 58.500 58.200 0.016 0.000 1.039 312 S CB 1.201 64.394 63.200 -0.011 0.000 0.902 312 S HN 1.752 nan 8.310 nan 0.000 0.516 313 A N 4.143 126.970 122.820 0.013 0.000 2.406 313 A HA 0.442 4.761 4.320 -0.001 0.000 0.243 313 A C -2.154 175.432 177.584 0.004 0.000 1.082 313 A CA -1.241 50.812 52.037 0.026 0.000 0.786 313 A CB -0.629 18.380 19.000 0.014 0.000 1.029 313 A HN 0.563 nan 8.150 nan 0.000 0.495 314 P HA 0.087 nan 4.420 nan 0.000 0.268 314 P C -2.069 175.148 177.300 -0.139 0.000 1.205 314 P CA -0.924 62.191 63.100 0.025 0.000 0.771 314 P CB 0.173 32.013 31.700 0.233 0.000 0.858 315 P HA -0.070 nan 4.420 nan 0.000 0.225 315 P C -0.129 177.070 177.300 -0.169 0.000 1.156 315 P CA 1.328 64.226 63.100 -0.336 0.000 0.787 315 P CB 0.193 31.555 31.700 -0.564 0.000 0.802 316 D N -3.155 117.189 120.400 -0.094 0.000 2.769 316 D HA 0.017 4.657 4.640 -0.001 0.000 0.309 316 D C 0.681 177.050 176.300 0.115 0.000 1.315 316 D CA -0.204 53.811 54.000 0.026 0.000 0.780 316 D CB -0.317 40.507 40.800 0.041 0.000 1.312 316 D HN -0.234 nan 8.370 nan 0.000 0.437 317 S N -0.600 115.160 115.700 0.100 0.000 2.447 317 S HA -0.155 4.315 4.470 -0.001 0.000 0.233 317 S C 1.746 176.417 174.600 0.117 0.000 1.006 317 S CA 1.336 59.591 58.200 0.092 0.000 0.957 317 S CB -0.939 62.295 63.200 0.057 0.000 0.773 317 S HN 0.779 nan 8.310 nan 0.000 0.507 318 S N -0.719 115.090 115.700 0.181 0.000 2.547 318 S HA -0.002 4.468 4.470 -0.001 0.000 0.235 318 S C 1.000 175.703 174.600 0.172 0.000 0.980 318 S CA 0.242 58.552 58.200 0.183 0.000 0.941 318 S CB -0.785 62.546 63.200 0.217 0.000 0.763 318 S HN 0.754 nan 8.310 nan 0.000 0.532 319 W N 1.926 123.215 121.300 -0.017 0.000 3.211 319 W HA 0.422 5.081 4.660 -0.001 0.000 0.292 319 W C 0.837 177.298 176.519 -0.097 0.000 1.268 319 W CA -0.845 56.492 57.345 -0.014 0.000 1.702 319 W CB 0.208 29.704 29.460 0.060 0.000 1.092 319 W HN 0.069 nan 8.180 nan 0.000 0.643 320 R N 0.472 120.933 120.500 -0.065 0.000 2.229 320 R HA 0.425 4.764 4.340 -0.001 0.000 0.328 320 R C 0.831 176.738 176.300 -0.655 0.000 1.009 320 R CA -0.125 55.652 56.100 -0.538 0.000 0.864 320 R CB 0.933 31.111 30.300 -0.204 0.000 1.085 320 R HN -0.028 nan 8.270 nan 0.000 0.453 321 G N 0.366 108.421 108.800 -1.242 0.000 2.504 321 G HA2 0.007 3.967 3.960 -0.001 0.000 0.257 321 G HA3 0.007 3.967 3.960 -0.001 0.000 0.257 321 G C 0.327 175.127 174.900 -0.165 0.000 1.451 321 G CA -0.404 44.418 45.100 -0.464 0.000 1.059 321 G HN 0.494 nan 8.290 nan 0.000 0.550 322 S N -0.723 115.007 115.700 0.051 0.000 2.539 322 S HA 0.276 4.745 4.470 -0.001 0.000 0.221 322 S C 0.862 175.514 174.600 0.087 0.000 0.987 322 S CA -0.410 57.817 58.200 0.045 0.000 0.929 322 S CB -0.202 62.980 63.200 -0.031 0.000 0.832 322 S HN 0.250 nan 8.310 nan 0.000 0.492 323 L N 1.726 123.078 121.223 0.215 0.000 2.453 323 L HA 0.264 4.604 4.340 -0.001 0.000 0.261 323 L C 0.709 177.611 176.870 0.053 0.000 1.179 323 L CA -0.419 54.467 54.840 0.078 0.000 0.813 323 L CB 0.332 42.398 42.059 0.012 0.000 1.110 323 L HN -0.145 nan 8.230 nan 0.000 0.466 324 K N 2.960 123.343 120.400 -0.028 0.000 2.480 324 K HA 0.234 4.554 4.320 -0.001 0.000 0.241 324 K C -0.648 175.884 176.600 -0.113 0.000 1.261 324 K CA 0.007 56.268 56.287 -0.043 0.000 1.193 324 K CB -0.571 31.902 32.500 -0.044 0.000 1.598 324 K HN 0.444 nan 8.250 nan 0.000 0.278 325 V N -2.136 117.675 119.914 -0.171 0.000 3.130 325 V HA 0.527 4.647 4.120 -0.001 0.000 0.310 325 V C -2.179 173.789 176.094 -0.211 0.000 1.158 325 V CA -1.776 60.352 62.300 -0.287 0.000 1.029 325 V CB 2.186 33.694 31.823 -0.525 0.000 1.057 325 V HN -0.004 nan 8.190 nan 0.000 0.436 326 P HA 0.088 nan 4.420 nan 0.000 0.231 326 P C 0.036 177.400 177.300 0.107 0.000 1.168 326 P CA 0.750 63.849 63.100 -0.002 0.000 0.779 326 P CB -0.249 31.444 31.700 -0.012 0.000 0.844 327 Y N -1.615 118.629 120.300 -0.093 0.000 3.689 327 Y HA -0.203 4.346 4.550 -0.000 0.000 0.221 327 Y C 0.324 176.247 175.900 0.039 0.000 1.247 327 Y CA -0.201 57.813 58.100 -0.144 0.000 1.671 327 Y CB -3.160 35.268 38.460 -0.054 0.000 1.521 327 Y HN 0.086 nan 8.280 nan 0.000 0.632 328 N N 0.216 118.970 118.700 0.090 0.000 2.454 328 N HA 0.090 4.829 4.740 -0.001 0.000 0.254 328 N C 1.116 176.767 175.510 0.234 0.000 1.228 328 N CA 0.388 53.521 53.050 0.138 0.000 0.900 328 N CB 1.254 39.790 38.487 0.082 0.000 1.089 328 N HN 0.124 nan 8.380 nan 0.000 0.449 329 V N 1.052 121.108 119.914 0.238 0.000 2.951 329 V HA 0.063 4.183 4.120 -0.001 0.000 0.255 329 V C 1.481 177.694 176.094 0.199 0.000 1.088 329 V CA 1.428 63.902 62.300 0.289 0.000 1.109 329 V CB -1.262 30.648 31.823 0.146 0.000 0.724 329 V HN 1.025 nan 8.190 nan 0.000 0.471 330 G N 0.851 109.732 108.800 0.135 0.000 2.527 330 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.227 330 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.227 330 G C -2.608 172.330 174.900 0.064 0.000 1.291 330 G CA -0.272 44.883 45.100 0.093 0.000 0.904 330 G HN 0.317 nan 8.290 nan 0.000 0.577 331 P HA 0.483 nan 4.420 nan 0.000 0.274 331 P C 0.858 178.152 177.300 -0.010 0.000 1.231 331 P CA 1.814 64.926 63.100 0.020 0.000 0.790 331 P CB 0.764 32.470 31.700 0.009 0.000 0.951 332 G N 1.219 109.966 108.800 -0.088 0.000 2.741 332 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.222 332 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.222 332 G C -0.848 174.021 174.900 -0.051 0.000 1.364 332 G CA -0.728 44.250 45.100 -0.202 0.000 0.866 332 G HN 0.404 nan 8.290 nan 0.000 0.555 333 F N 0.755 120.741 119.950 0.060 0.000 2.450 333 F HA 0.589 5.115 4.527 -0.001 0.000 0.328 333 F C 1.666 177.531 175.800 0.108 0.000 1.068 333 F CA -0.389 57.659 58.000 0.079 0.000 1.007 333 F CB 1.707 40.777 39.000 0.117 0.000 1.251 333 F HN 0.779 nan 8.300 nan 0.000 0.492 334 T N -1.091 113.677 114.554 0.357 0.000 2.802 334 T HA 0.151 4.500 4.350 -0.001 0.000 0.305 334 T C 1.373 176.183 174.700 0.184 0.000 1.053 334 T CA -0.214 62.021 62.100 0.225 0.000 1.058 334 T CB 0.961 69.941 68.868 0.185 0.000 0.988 334 T HN 0.773 nan 8.240 nan 0.000 0.539 335 G N 1.730 110.574 108.800 0.074 0.000 2.679 335 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.222 335 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.222 335 G C 1.465 176.317 174.900 -0.081 0.000 1.164 335 G CA 1.227 46.330 45.100 0.005 0.000 0.769 335 G HN 0.768 nan 8.290 nan 0.000 0.610 336 N N 0.348 118.897 118.700 -0.251 0.000 2.272 336 N HA -0.043 4.696 4.740 -0.001 0.000 0.185 336 N C 1.351 176.497 175.510 -0.606 0.000 1.014 336 N CA 0.951 53.660 53.050 -0.567 0.000 0.870 336 N CB -0.303 37.568 38.487 -1.026 0.000 0.975 336 N HN 0.502 nan 8.380 nan 0.000 0.433 337 F N -0.753 119.231 119.950 0.056 0.000 2.654 337 F HA 0.248 4.775 4.527 -0.001 0.000 0.303 337 F C 1.827 177.751 175.800 0.207 0.000 1.099 337 F CA -0.412 57.650 58.000 0.104 0.000 1.270 337 F CB -0.067 38.949 39.000 0.027 0.000 1.024 337 F HN -0.077 nan 8.300 nan 0.000 0.548 338 S N -0.406 115.439 115.700 0.242 0.000 2.420 338 S HA -0.228 4.242 4.470 -0.001 0.000 0.237 338 S C 1.890 176.573 174.600 0.138 0.000 1.023 338 S CA 1.851 60.159 58.200 0.180 0.000 0.991 338 S CB -1.128 62.127 63.200 0.092 0.000 0.792 338 S HN 0.475 nan 8.310 nan 0.000 0.488 339 T N -1.594 113.043 114.554 0.139 0.000 3.107 339 T HA 0.233 4.582 4.350 -0.001 0.000 0.249 339 T C 0.586 175.367 174.700 0.134 0.000 1.096 339 T CA -0.350 61.812 62.100 0.102 0.000 1.012 339 T CB -0.266 68.645 68.868 0.073 0.000 0.977 339 T HN 0.499 nan 8.240 nan 0.000 0.527 340 Q N 0.919 120.860 119.800 0.235 0.000 2.354 340 Q HA 0.511 4.851 4.340 -0.001 0.000 0.244 340 Q C -0.367 175.738 176.000 0.175 0.000 0.969 340 Q CA -0.099 55.870 55.803 0.276 0.000 0.885 340 Q CB 1.003 30.007 28.738 0.443 0.000 1.241 340 Q HN 0.327 nan 8.270 nan 0.000 0.461 341 K N 0.214 120.695 120.400 0.134 0.000 2.466 341 K HA 0.579 4.898 4.320 -0.001 0.000 0.260 341 K C -1.362 175.272 176.600 0.056 0.000 1.011 341 K CA -0.832 55.451 56.287 -0.006 0.000 0.871 341 K CB 2.121 34.611 32.500 -0.018 0.000 1.404 341 K HN 0.255 nan 8.250 nan 0.000 0.450 342 V N 1.678 121.578 119.914 -0.024 0.000 2.483 342 V HA 0.347 4.467 4.120 -0.001 0.000 0.295 342 V C -0.494 175.577 176.094 -0.038 0.000 1.035 342 V CA -0.600 61.718 62.300 0.030 0.000 0.896 342 V CB 1.487 33.330 31.823 0.033 0.000 0.986 342 V HN 0.598 nan 8.190 nan 0.000 0.447 343 K N 5.207 125.565 120.400 -0.069 0.000 2.463 343 K HA 0.638 4.957 4.320 -0.001 0.000 0.255 343 K C -0.828 175.521 176.600 -0.417 0.000 0.942 343 K CA -0.592 55.554 56.287 -0.235 0.000 0.814 343 K CB 1.403 33.749 32.500 -0.257 0.000 1.122 343 K HN 0.658 nan 8.250 nan 0.000 0.425 344 M N 3.420 122.765 119.600 -0.426 0.000 2.288 344 M HA 0.284 4.763 4.480 -0.001 0.000 0.334 344 M C -0.393 175.453 176.300 -0.756 0.000 1.150 344 M CA -0.417 54.609 55.300 -0.457 0.000 1.118 344 M CB 1.105 33.554 32.600 -0.252 0.000 1.501 344 M HN 0.467 nan 8.290 nan 0.000 0.462 345 H N 3.407 122.177 119.070 -0.499 0.000 3.092 345 H HA 0.429 4.985 4.556 -0.001 0.000 0.308 345 H C -1.286 173.595 175.328 -0.744 0.000 1.047 345 H CA -0.576 55.132 56.048 -0.567 0.000 1.466 345 H CB 1.101 30.532 29.762 -0.552 0.000 1.597 345 H HN 0.410 nan 8.280 nan 0.000 0.512 346 I N 3.000 123.143 120.570 -0.713 0.000 2.436 346 I HA 0.153 4.323 4.170 -0.001 0.000 0.289 346 I C 0.266 175.960 176.117 -0.706 0.000 1.010 346 I CA -0.504 60.456 61.300 -0.567 0.000 1.098 346 I CB 1.298 39.147 38.000 -0.253 0.000 1.266 346 I HN 0.733 nan 8.210 nan 0.000 0.434 347 H N 1.599 120.589 119.070 -0.134 0.000 2.885 347 H HA 0.262 4.818 4.556 -0.000 0.000 0.254 347 H C 0.554 175.852 175.328 -0.051 0.000 1.185 347 H CA -0.207 55.751 56.048 -0.150 0.000 1.029 347 H CB 0.741 30.253 29.762 -0.416 0.000 1.743 347 H HN 0.423 nan 8.280 nan 0.000 0.632 348 S N 1.653 117.381 115.700 0.047 0.000 2.576 348 S HA 0.197 4.667 4.470 -0.001 0.000 0.272 348 S C 0.722 175.369 174.600 0.078 0.000 1.352 348 S CA 0.174 58.411 58.200 0.062 0.000 1.021 348 S CB 0.716 63.982 63.200 0.111 0.000 0.887 348 S HN 0.533 nan 8.310 nan 0.000 0.542 349 T N 0.103 114.705 114.554 0.080 0.000 2.893 349 T HA 0.496 4.846 4.350 -0.001 0.000 0.293 349 T C -0.915 173.824 174.700 0.065 0.000 1.027 349 T CA -1.150 60.999 62.100 0.082 0.000 0.988 349 T CB 0.903 69.822 68.868 0.086 0.000 1.043 349 T HN 0.389 nan 8.240 nan 0.000 0.461 350 N N 2.182 120.923 118.700 0.067 0.000 2.479 350 N HA 0.458 5.197 4.740 -0.001 0.000 0.285 350 N C -0.581 174.965 175.510 0.061 0.000 1.075 350 N CA -0.490 52.592 53.050 0.054 0.000 0.967 350 N CB 1.183 39.756 38.487 0.143 0.000 1.137 350 N HN 0.741 nan 8.380 nan 0.000 0.472 351 E N 0.246 120.469 120.200 0.040 0.000 2.321 351 E HA 0.230 4.580 4.350 -0.001 0.000 0.281 351 E C -0.955 175.667 176.600 0.038 0.000 0.910 351 E CA -0.782 55.653 56.400 0.058 0.000 0.770 351 E CB 1.992 31.758 29.700 0.109 0.000 1.225 351 E HN 0.088 nan 8.360 nan 0.000 0.417 352 V N 2.471 122.404 119.914 0.031 0.000 2.529 352 V HA 0.197 4.316 4.120 -0.001 0.000 0.292 352 V C -0.043 176.058 176.094 0.012 0.000 1.028 352 V CA 0.631 62.941 62.300 0.015 0.000 1.074 352 V CB 0.803 32.629 31.823 0.005 0.000 0.958 352 V HN 0.726 nan 8.190 nan 0.000 0.481 353 T N 5.245 119.798 114.554 -0.003 0.000 2.933 353 T HA 0.419 4.769 4.350 -0.001 0.000 0.305 353 T C -0.357 174.322 174.700 -0.034 0.000 1.092 353 T CA -0.763 61.336 62.100 -0.001 0.000 1.008 353 T CB 1.695 70.586 68.868 0.037 0.000 1.102 353 T HN 0.682 nan 8.240 nan 0.000 0.469 354 R N 2.383 122.847 120.500 -0.061 0.000 2.438 354 R HA 0.631 4.971 4.340 -0.001 0.000 0.287 354 R C -0.272 175.912 176.300 -0.193 0.000 1.077 354 R CA -0.365 55.638 56.100 -0.162 0.000 1.034 354 R CB 0.157 30.306 30.300 -0.252 0.000 0.993 354 R HN 0.713 nan 8.270 nan 0.000 0.459 355 I N 0.095 120.509 120.570 -0.260 0.000 3.002 355 I HA 0.504 4.674 4.170 -0.001 0.000 0.310 355 I C -1.552 174.392 176.117 -0.287 0.000 1.087 355 I CA -1.251 59.982 61.300 -0.112 0.000 1.017 355 I CB 2.129 40.162 38.000 0.055 0.000 1.226 355 I HN 0.514 nan 8.210 nan 0.000 0.443 356 Y N 1.790 122.221 120.300 0.220 0.000 2.331 356 Y HA 0.461 5.010 4.550 -0.001 0.000 0.326 356 Y C -0.548 175.466 175.900 0.190 0.000 1.020 356 Y CA -0.809 57.424 58.100 0.221 0.000 1.136 356 Y CB 1.513 40.100 38.460 0.211 0.000 1.157 356 Y HN 0.491 nan 8.280 nan 0.000 0.444 357 N N 1.858 120.772 118.700 0.357 0.000 2.498 357 N HA 0.458 5.198 4.740 -0.001 0.000 0.287 357 N C -0.902 174.673 175.510 0.109 0.000 1.097 357 N CA -0.492 52.716 53.050 0.264 0.000 0.973 357 N CB 2.148 40.861 38.487 0.375 0.000 1.153 357 N HN 0.271 nan 8.380 nan 0.000 0.472 358 V N 2.814 122.691 119.914 -0.061 0.000 2.394 358 V HA 0.406 4.525 4.120 -0.001 0.000 0.282 358 V C 0.074 176.132 176.094 -0.061 0.000 1.031 358 V CA -0.613 61.612 62.300 -0.125 0.000 0.881 358 V CB 1.147 32.725 31.823 -0.409 0.000 0.982 358 V HN 0.433 nan 8.190 nan 0.000 0.451 359 I N 4.389 124.984 120.570 0.041 0.000 2.411 359 I HA 0.522 4.692 4.170 -0.001 0.000 0.284 359 I C 0.592 176.826 176.117 0.195 0.000 1.012 359 I CA -0.035 61.292 61.300 0.044 0.000 1.119 359 I CB 1.372 39.385 38.000 0.023 0.000 1.261 359 I HN 0.703 nan 8.210 nan 0.000 0.448 360 G N 4.210 113.183 108.800 0.290 0.000 2.388 360 G HA2 0.655 4.614 3.960 -0.001 0.000 0.330 360 G HA3 0.655 4.614 3.960 -0.001 0.000 0.330 360 G C -0.683 174.318 174.900 0.168 0.000 1.142 360 G CA -0.207 45.060 45.100 0.278 0.000 0.908 360 G HN 0.461 nan 8.290 nan 0.000 0.473 361 T N 1.359 115.989 114.554 0.126 0.000 2.848 361 T HA 0.422 4.772 4.350 -0.001 0.000 0.285 361 T C -1.052 173.684 174.700 0.060 0.000 0.995 361 T CA -0.354 61.775 62.100 0.049 0.000 0.970 361 T CB 1.648 70.531 68.868 0.025 0.000 0.976 361 T HN 0.369 nan 8.240 nan 0.000 0.441 362 L N 3.982 125.214 121.223 0.015 0.000 2.353 362 L HA 0.507 4.847 4.340 -0.001 0.000 0.270 362 L C 0.218 177.035 176.870 -0.089 0.000 1.003 362 L CA -0.701 54.134 54.840 -0.009 0.000 0.862 362 L CB 0.749 42.831 42.059 0.037 0.000 1.221 362 L HN 0.569 nan 8.230 nan 0.000 0.430 363 R N 3.144 123.606 120.500 -0.063 0.000 2.522 363 R HA 0.384 4.724 4.340 -0.001 0.000 0.284 363 R C 0.283 176.505 176.300 -0.130 0.000 1.032 363 R CA 0.424 56.485 56.100 -0.066 0.000 1.049 363 R CB 0.427 30.708 30.300 -0.032 0.000 0.956 363 R HN 0.873 nan 8.270 nan 0.000 0.422 364 G N 2.100 110.826 108.800 -0.122 0.000 2.491 364 G HA2 0.272 4.232 3.960 -0.001 0.000 0.242 364 G HA3 0.272 4.232 3.960 -0.001 0.000 0.242 364 G C 0.722 175.526 174.900 -0.161 0.000 1.266 364 G CA -0.019 44.973 45.100 -0.180 0.000 0.844 364 G HN 0.851 nan 8.290 nan 0.000 0.571 365 A N 1.513 124.204 122.820 -0.214 0.000 1.968 365 A HA 0.161 4.481 4.320 -0.001 0.000 0.217 365 A C 2.060 179.576 177.584 -0.112 0.000 1.169 365 A CA 1.747 53.684 52.037 -0.165 0.000 0.638 365 A CB 0.029 18.903 19.000 -0.210 0.000 0.812 365 A HN 0.570 nan 8.150 nan 0.000 0.446 366 V N -1.199 118.647 119.914 -0.113 0.000 3.090 366 V HA 0.111 4.230 4.120 -0.001 0.000 0.237 366 V C 0.549 176.604 176.094 -0.066 0.000 1.209 366 V CA 0.512 62.766 62.300 -0.077 0.000 1.209 366 V CB 0.027 31.808 31.823 -0.071 0.000 0.971 366 V HN 0.481 nan 8.190 nan 0.000 0.477 367 E N 1.471 121.622 120.200 -0.081 0.000 3.406 367 E HA 0.209 4.559 4.350 -0.001 0.000 0.210 367 E C -2.002 174.557 176.600 -0.070 0.000 1.167 367 E CA -1.511 54.844 56.400 -0.074 0.000 1.132 367 E CB 1.252 30.902 29.700 -0.083 0.000 1.309 367 E HN 0.383 nan 8.360 nan 0.000 0.424 368 P HA -0.164 nan 4.420 nan 0.000 0.222 368 P C 0.538 177.861 177.300 0.038 0.000 1.147 368 P CA 1.133 64.233 63.100 0.000 0.000 0.790 368 P CB 0.175 31.879 31.700 0.007 0.000 0.780 369 D N -0.880 119.490 120.400 -0.051 0.000 2.434 369 D HA 0.027 4.666 4.640 -0.001 0.000 0.232 369 D C 0.218 176.293 176.300 -0.375 0.000 1.166 369 D CA -0.150 53.746 54.000 -0.172 0.000 0.830 369 D CB -0.117 40.616 40.800 -0.112 0.000 0.960 369 D HN -0.030 nan 8.370 nan 0.000 0.497 370 R N 0.755 121.087 120.500 -0.280 0.000 2.513 370 R HA 0.317 4.657 4.340 -0.001 0.000 0.301 370 R C -1.275 174.961 176.300 -0.106 0.000 0.968 370 R CA -0.686 55.245 56.100 -0.283 0.000 0.872 370 R CB 1.246 31.448 30.300 -0.163 0.000 1.177 370 R HN 0.028 nan 8.270 nan 0.000 0.444 371 Y N 0.907 121.191 120.300 -0.027 0.000 2.341 371 Y HA 0.402 4.951 4.550 -0.001 0.000 0.338 371 Y C 0.333 176.208 175.900 -0.042 0.000 0.965 371 Y CA -1.153 56.931 58.100 -0.028 0.000 1.108 371 Y CB 1.795 40.289 38.460 0.057 0.000 1.180 371 Y HN 0.099 nan 8.280 nan 0.000 0.458 372 V N 5.812 125.749 119.914 0.038 0.000 2.384 372 V HA 0.460 4.579 4.120 -0.001 0.000 0.287 372 V C -0.142 175.846 176.094 -0.177 0.000 1.020 372 V CA -0.745 61.515 62.300 -0.067 0.000 0.850 372 V CB 1.355 33.087 31.823 -0.151 0.000 0.987 372 V HN 0.584 nan 8.190 nan 0.000 0.436 373 I N 5.793 126.276 120.570 -0.144 0.000 2.406 373 I HA 0.440 4.609 4.170 -0.001 0.000 0.290 373 I C -0.834 175.037 176.117 -0.410 0.000 0.999 373 I CA -0.732 60.425 61.300 -0.239 0.000 1.124 373 I CB 1.914 39.907 38.000 -0.012 0.000 1.289 373 I HN 0.397 nan 8.210 nan 0.000 0.441 374 L N 6.507 127.456 121.223 -0.457 0.000 2.294 374 L HA 0.824 5.164 4.340 -0.001 0.000 0.283 374 L C -0.185 176.520 176.870 -0.276 0.000 1.015 374 L CA 0.173 54.799 54.840 -0.357 0.000 0.831 374 L CB 1.184 43.145 42.059 -0.163 0.000 1.217 374 L HN 0.628 nan 8.230 nan 0.000 0.420 375 G N 2.521 111.140 108.800 -0.301 0.000 2.638 375 G HA2 0.753 4.712 3.960 -0.001 0.000 0.302 375 G HA3 0.753 4.712 3.960 -0.001 0.000 0.302 375 G C -1.024 173.976 174.900 0.166 0.000 1.365 375 G CA -0.269 44.775 45.100 -0.095 0.000 0.987 375 G HN 0.943 nan 8.290 nan 0.000 0.495 376 G N -0.055 108.799 108.800 0.089 0.000 2.677 376 G HA2 0.638 4.597 3.960 -0.001 0.000 0.291 376 G HA3 0.638 4.597 3.960 -0.001 0.000 0.291 376 G C -0.963 174.141 174.900 0.338 0.000 1.435 376 G CA -0.746 44.560 45.100 0.345 0.000 0.826 376 G HN 1.170 nan 8.290 nan 0.000 0.491 377 H N -1.487 117.792 119.070 0.348 0.000 2.509 377 H HA 0.721 5.276 4.556 -0.001 0.000 0.359 377 H C 1.029 176.435 175.328 0.129 0.000 1.253 377 H CA -0.688 55.531 56.048 0.285 0.000 1.373 377 H CB 1.820 31.761 29.762 0.298 0.000 1.555 377 H HN 0.527 nan 8.280 nan 0.000 0.586 378 R N 0.111 120.692 120.500 0.136 0.000 2.310 378 R HA 0.013 4.353 4.340 -0.001 0.000 0.199 378 R C -0.422 175.890 176.300 0.020 0.000 0.891 378 R CA 0.101 56.158 56.100 -0.072 0.000 1.060 378 R CB 0.293 30.503 30.300 -0.149 0.000 1.188 378 R HN 0.940 nan 8.270 nan 0.000 0.607 379 D N 1.735 122.261 120.400 0.209 0.000 2.399 379 D HA 0.012 4.652 4.640 -0.001 0.000 0.241 379 D C -0.524 175.878 176.300 0.170 0.000 1.133 379 D CA 0.173 54.281 54.000 0.179 0.000 0.890 379 D CB 1.477 42.373 40.800 0.160 0.000 1.201 379 D HN 0.212 nan 8.370 nan 0.000 0.432 380 S N 0.454 116.191 115.700 0.061 0.000 2.632 380 S HA 0.338 4.808 4.470 -0.001 0.000 0.289 380 S C 0.334 174.841 174.600 -0.155 0.000 1.115 380 S CA -1.048 57.157 58.200 0.009 0.000 0.889 380 S CB 1.089 64.361 63.200 0.120 0.000 1.116 380 S HN 0.693 nan 8.310 nan 0.000 0.486 381 W N 0.393 121.665 121.300 -0.048 0.000 2.407 381 W HA 0.105 4.765 4.660 -0.001 0.000 0.305 381 W C 1.447 177.906 176.519 -0.100 0.000 1.196 381 W CA 1.030 58.299 57.345 -0.126 0.000 1.311 381 W CB -0.027 29.243 29.460 -0.317 0.000 1.135 381 W HN 0.524 nan 8.180 nan 0.000 0.514 382 V N -2.543 117.416 119.914 0.075 0.000 5.486 382 V HA 0.105 4.225 4.120 -0.001 0.000 0.127 382 V C 0.704 176.614 176.094 -0.307 0.000 0.885 382 V CA -0.280 61.876 62.300 -0.240 0.000 1.394 382 V CB -0.743 30.865 31.823 -0.359 0.000 2.448 382 V HN -0.213 nan 8.190 nan 0.000 0.355 383 F N 1.751 121.736 119.950 0.058 0.000 2.615 383 F HA 0.408 4.934 4.527 -0.001 0.000 0.297 383 F C 1.931 177.823 175.800 0.154 0.000 1.124 383 F CA 0.897 58.947 58.000 0.084 0.000 1.451 383 F CB -0.726 38.289 39.000 0.026 0.000 1.103 383 F HN 0.602 nan 8.300 nan 0.000 0.569 384 G N 0.484 109.449 108.800 0.275 0.000 2.249 384 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.273 384 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.273 384 G C 1.467 176.525 174.900 0.263 0.000 1.036 384 G CA 0.288 45.540 45.100 0.254 0.000 0.824 384 G HN 0.680 nan 8.290 nan 0.000 0.504 385 G N -0.307 108.654 108.800 0.268 0.000 2.513 385 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.219 385 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.219 385 G C 1.669 176.669 174.900 0.166 0.000 1.160 385 G CA 1.521 46.762 45.100 0.235 0.000 0.767 385 G HN 0.647 nan 8.290 nan 0.000 0.571 386 I N -0.700 119.929 120.570 0.097 0.000 2.900 386 I HA 0.136 4.306 4.170 -0.001 0.000 0.251 386 I C 0.155 176.339 176.117 0.111 0.000 1.102 386 I CA 0.116 61.401 61.300 -0.026 0.000 1.457 386 I CB 0.298 38.053 38.000 -0.409 0.000 1.285 386 I HN -0.008 nan 8.210 nan 0.000 0.459 387 D N 2.359 122.903 120.400 0.240 0.000 2.427 387 D HA 0.184 4.824 4.640 -0.001 0.000 0.226 387 D C -2.064 174.373 176.300 0.228 0.000 1.076 387 D CA -2.306 51.879 54.000 0.308 0.000 0.849 387 D CB 1.600 42.736 40.800 0.560 0.000 1.052 387 D HN 0.047 nan 8.370 nan 0.000 0.515 388 P HA 0.087 nan 4.420 nan 0.000 0.291 388 P C 0.697 178.019 177.300 0.038 0.000 1.341 388 P CA -0.047 62.992 63.100 -0.101 0.000 0.999 388 P CB 0.928 32.199 31.700 -0.715 0.000 1.501 389 Q N 0.638 120.523 119.800 0.141 0.000 2.291 389 Q HA -0.050 4.289 4.340 -0.001 0.000 0.205 389 Q C 2.054 178.250 176.000 0.326 0.000 0.970 389 Q CA 1.573 57.532 55.803 0.260 0.000 0.876 389 Q CB -0.904 28.045 28.738 0.351 0.000 0.935 389 Q HN 0.404 nan 8.270 nan 0.000 0.455 390 S N -0.435 115.435 115.700 0.282 0.000 2.423 390 S HA -0.061 4.409 4.470 -0.001 0.000 0.231 390 S C 1.971 176.754 174.600 0.305 0.000 1.014 390 S CA 1.065 59.487 58.200 0.371 0.000 0.965 390 S CB -0.445 62.934 63.200 0.297 0.000 0.785 390 S HN 0.393 nan 8.310 nan 0.000 0.495 391 G N 1.240 110.164 108.800 0.208 0.000 2.396 391 G HA2 0.253 4.212 3.960 -0.001 0.000 0.214 391 G HA3 0.253 4.212 3.960 -0.001 0.000 0.214 391 G C 1.675 176.720 174.900 0.242 0.000 1.166 391 G CA 0.472 45.688 45.100 0.193 0.000 0.793 391 G HN 0.726 nan 8.290 nan 0.000 0.533 392 A N 1.237 124.200 122.820 0.238 0.000 1.933 392 A HA 0.258 4.577 4.320 -0.001 0.000 0.218 392 A C 2.744 180.629 177.584 0.502 0.000 1.175 392 A CA 2.183 54.390 52.037 0.283 0.000 0.628 392 A CB -0.654 18.407 19.000 0.102 0.000 0.814 392 A HN 0.724 nan 8.150 nan 0.000 0.444 393 A N -0.776 122.354 122.820 0.517 0.000 1.969 393 A HA 0.058 4.378 4.320 -0.001 0.000 0.218 393 A C 2.207 180.067 177.584 0.461 0.000 1.169 393 A CA 1.610 53.919 52.037 0.452 0.000 0.635 393 A CB -0.720 18.462 19.000 0.304 0.000 0.810 393 A HN 0.342 nan 8.150 nan 0.000 0.445 394 V N -0.449 119.698 119.914 0.388 0.000 2.358 394 V HA -0.201 3.918 4.120 -0.001 0.000 0.246 394 V C 2.590 178.866 176.094 0.304 0.000 1.047 394 V CA 1.919 64.410 62.300 0.318 0.000 1.035 394 V CB -0.504 31.479 31.823 0.267 0.000 0.658 394 V HN 0.375 nan 8.190 nan 0.000 0.452 395 V N -0.529 119.578 119.914 0.323 0.000 2.343 395 V HA -0.309 3.811 4.120 -0.001 0.000 0.247 395 V C 2.389 178.675 176.094 0.321 0.000 1.051 395 V CA 2.423 64.907 62.300 0.308 0.000 1.036 395 V CB -0.889 31.133 31.823 0.333 0.000 0.654 395 V HN 0.623 nan 8.190 nan 0.000 0.451 396 H N 0.288 119.547 119.070 0.316 0.000 2.352 396 H HA -0.177 4.379 4.556 -0.001 0.000 0.299 396 H C 2.266 177.681 175.328 0.146 0.000 1.097 396 H CA 2.145 58.370 56.048 0.295 0.000 1.311 396 H CB -0.014 29.811 29.762 0.106 0.000 1.377 396 H HN 0.463 nan 8.280 nan 0.000 0.504 397 E N 0.117 120.515 120.200 0.330 0.000 2.150 397 E HA -0.067 4.282 4.350 -0.001 0.000 0.193 397 E C 2.228 178.826 176.600 -0.003 0.000 0.985 397 E CA 0.999 57.519 56.400 0.200 0.000 0.814 397 E CB -0.388 29.450 29.700 0.229 0.000 0.752 397 E HN 0.578 nan 8.360 nan 0.000 0.466 398 I N -0.467 120.152 120.570 0.082 0.000 2.226 398 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 398 I C 2.142 178.320 176.117 0.101 0.000 1.100 398 I CA 0.766 62.159 61.300 0.155 0.000 1.374 398 I CB -0.186 38.017 38.000 0.339 0.000 1.057 398 I HN 0.037 nan 8.210 nan 0.000 0.413 399 V N 0.713 120.502 119.914 -0.207 0.000 2.287 399 V HA -0.321 3.799 4.120 -0.001 0.000 0.248 399 V C 2.616 178.517 176.094 -0.322 0.000 1.053 399 V CA 2.014 63.962 62.300 -0.587 0.000 1.027 399 V CB -0.833 30.370 31.823 -1.033 0.000 0.646 399 V HN 0.417 nan 8.190 nan 0.000 0.447 400 R N 0.065 120.269 120.500 -0.493 0.000 2.083 400 R HA -0.173 4.166 4.340 -0.001 0.000 0.237 400 R C 2.495 178.591 176.300 -0.341 0.000 1.137 400 R CA 2.070 57.698 56.100 -0.787 0.000 0.951 400 R CB -0.291 29.336 30.300 -1.121 0.000 0.851 400 R HN 0.564 nan 8.270 nan 0.000 0.434 401 S N 0.233 115.795 115.700 -0.230 0.000 2.355 401 S HA -0.098 4.372 4.470 -0.001 0.000 0.222 401 S C 1.626 176.232 174.600 0.011 0.000 1.031 401 S CA 1.191 59.275 58.200 -0.194 0.000 0.993 401 S CB -0.362 62.580 63.200 -0.431 0.000 0.859 401 S HN 0.239 nan 8.310 nan 0.000 0.453 402 F N 2.118 122.192 119.950 0.207 0.000 2.161 402 F HA -0.023 4.503 4.527 -0.001 0.000 0.300 402 F C 2.598 178.482 175.800 0.139 0.000 1.089 402 F CA 0.935 59.069 58.000 0.223 0.000 1.282 402 F CB -1.125 38.027 39.000 0.253 0.000 1.010 402 F HN 0.306 nan 8.300 nan 0.000 0.485 403 G N -1.096 107.826 108.800 0.205 0.000 2.421 403 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.217 403 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.217 403 G C 1.737 176.700 174.900 0.104 0.000 1.143 403 G CA 1.290 46.473 45.100 0.139 0.000 0.784 403 G HN 0.419 nan 8.290 nan 0.000 0.541 404 T N 0.103 114.680 114.554 0.039 0.000 2.708 404 T HA -0.043 4.307 4.350 -0.001 0.000 0.266 404 T C 2.418 177.145 174.700 0.045 0.000 1.037 404 T CA 1.177 63.288 62.100 0.017 0.000 1.146 404 T CB -0.369 68.470 68.868 -0.047 0.000 0.865 404 T HN 0.185 nan 8.240 nan 0.000 0.435 405 L N 0.609 121.853 121.223 0.036 0.000 2.046 405 L HA -0.021 4.319 4.340 -0.001 0.000 0.208 405 L C 3.200 180.129 176.870 0.099 0.000 1.077 405 L CA 1.512 56.313 54.840 -0.066 0.000 0.747 405 L CB -0.623 41.251 42.059 -0.309 0.000 0.896 405 L HN 0.245 nan 8.230 nan 0.000 0.432 406 K N 1.151 121.721 120.400 0.284 0.000 2.063 406 K HA -0.218 4.102 4.320 -0.001 0.000 0.208 406 K C 2.009 178.693 176.600 0.141 0.000 1.048 406 K CA 1.632 58.069 56.287 0.249 0.000 0.928 406 K CB -0.017 32.618 32.500 0.225 0.000 0.713 406 K HN 0.284 nan 8.250 nan 0.000 0.442 407 K N 0.429 120.900 120.400 0.118 0.000 2.280 407 K HA -0.118 4.202 4.320 -0.001 0.000 0.202 407 K C 1.574 178.236 176.600 0.103 0.000 1.047 407 K CA 1.250 57.594 56.287 0.096 0.000 0.942 407 K CB 0.041 32.591 32.500 0.083 0.000 0.739 407 K HN 0.305 nan 8.250 nan 0.000 0.457 408 E N -0.598 119.674 120.200 0.121 0.000 2.489 408 E HA 0.026 4.375 4.350 -0.001 0.000 0.193 408 E C 0.691 177.428 176.600 0.228 0.000 1.057 408 E CA 0.277 56.789 56.400 0.186 0.000 0.866 408 E CB 0.534 30.410 29.700 0.294 0.000 0.916 408 E HN 0.467 nan 8.360 nan 0.000 0.500 409 G N 1.248 110.144 108.800 0.160 0.000 2.168 409 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.197 409 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.197 409 G C -0.387 174.609 174.900 0.160 0.000 0.997 409 G CA -0.220 44.972 45.100 0.152 0.000 0.658 409 G HN 0.304 nan 8.290 nan 0.000 0.513 410 W N 1.791 123.020 121.300 -0.119 0.000 2.303 410 W HA 0.798 5.457 4.660 -0.001 0.000 0.334 410 W C 0.332 176.812 176.519 -0.065 0.000 1.197 410 W CA -0.654 56.609 57.345 -0.138 0.000 1.262 410 W CB 0.675 29.873 29.460 -0.436 0.000 1.153 410 W HN 0.141 nan 8.180 nan 0.000 0.596 411 R N 4.968 124.904 120.500 -0.940 0.000 2.725 411 R HA 0.389 4.729 4.340 -0.001 0.000 0.277 411 R C -2.361 172.846 176.300 -1.822 0.000 0.987 411 R CA -1.911 53.511 56.100 -1.129 0.000 0.901 411 R CB 2.213 32.194 30.300 -0.531 0.000 1.207 411 R HN 0.273 nan 8.270 nan 0.000 0.463 412 P HA 0.054 nan 4.420 nan 0.000 0.274 412 P C -0.210 176.746 177.300 -0.574 0.000 1.246 412 P CA -0.223 62.246 63.100 -1.051 0.000 0.795 412 P CB 1.036 32.335 31.700 -0.668 0.000 1.006 413 R N 1.160 121.438 120.500 -0.371 0.000 2.070 413 R HA -0.076 4.264 4.340 -0.001 0.000 0.233 413 R C 0.803 176.979 176.300 -0.208 0.000 1.137 413 R CA 1.224 57.182 56.100 -0.237 0.000 0.945 413 R CB 0.080 30.287 30.300 -0.156 0.000 0.845 413 R HN 0.481 nan 8.270 nan 0.000 0.430 414 R N -0.094 120.278 120.500 -0.212 0.000 2.674 414 R HA 0.246 4.585 4.340 -0.001 0.000 0.266 414 R C -0.501 175.693 176.300 -0.177 0.000 1.016 414 R CA -0.649 55.354 56.100 -0.162 0.000 1.062 414 R CB 1.386 31.602 30.300 -0.140 0.000 1.142 414 R HN -0.020 nan 8.270 nan 0.000 0.517 415 T N 1.992 116.499 114.554 -0.079 0.000 2.901 415 T HA 0.245 4.595 4.350 -0.001 0.000 0.301 415 T C 0.337 174.945 174.700 -0.153 0.000 1.012 415 T CA 0.107 62.167 62.100 -0.066 0.000 1.135 415 T CB 0.203 69.147 68.868 0.127 0.000 0.936 415 T HN 0.249 nan 8.240 nan 0.000 0.539 416 I N 3.893 124.281 120.570 -0.304 0.000 2.377 416 I HA 0.401 4.571 4.170 -0.001 0.000 0.293 416 I C -0.307 175.461 176.117 -0.582 0.000 0.987 416 I CA -0.722 60.256 61.300 -0.537 0.000 1.185 416 I CB 1.279 38.757 38.000 -0.870 0.000 1.341 416 I HN 0.301 nan 8.210 nan 0.000 0.455 417 L N 6.033 126.907 121.223 -0.583 0.000 2.317 417 L HA 0.549 4.888 4.340 -0.001 0.000 0.281 417 L C -1.064 175.391 176.870 -0.691 0.000 1.024 417 L CA -0.515 54.053 54.840 -0.454 0.000 0.810 417 L CB 1.293 43.208 42.059 -0.240 0.000 1.240 417 L HN 0.387 nan 8.230 nan 0.000 0.427 418 F N 1.620 121.398 119.950 -0.287 0.000 2.482 418 F HA 0.719 5.246 4.527 -0.001 0.000 0.331 418 F C 0.296 175.938 175.800 -0.264 0.000 1.115 418 F CA -0.577 57.201 58.000 -0.370 0.000 0.955 418 F CB 1.994 40.564 39.000 -0.717 0.000 1.136 418 F HN 0.421 nan 8.300 nan 0.000 0.452 419 A N 1.531 124.236 122.820 -0.193 0.000 2.393 419 A HA 0.643 4.962 4.320 -0.001 0.000 0.306 419 A C -0.805 176.521 177.584 -0.431 0.000 1.050 419 A CA -0.702 50.984 52.037 -0.586 0.000 0.724 419 A CB 1.575 19.516 19.000 -1.766 0.000 1.248 419 A HN 0.578 nan 8.150 nan 0.000 0.424 420 S N 2.530 118.042 115.700 -0.314 0.000 2.488 420 S HA 0.472 4.942 4.470 -0.001 0.000 0.310 420 S C -0.789 173.731 174.600 -0.133 0.000 1.093 420 S CA -0.432 57.630 58.200 -0.229 0.000 1.129 420 S CB -0.346 62.648 63.200 -0.342 0.000 0.989 420 S HN 0.524 nan 8.310 nan 0.000 0.479 421 W N 2.608 123.983 121.300 0.125 0.000 2.237 421 W HA 0.424 5.083 4.660 -0.001 0.000 0.335 421 W C 0.709 177.312 176.519 0.140 0.000 1.230 421 W CA -0.797 56.628 57.345 0.133 0.000 1.253 421 W CB 0.490 30.059 29.460 0.181 0.000 1.129 421 W HN 0.448 nan 8.180 nan 0.000 0.590 422 D N -0.132 120.521 120.400 0.420 0.000 2.326 422 D HA 0.400 5.040 4.640 -0.001 0.000 0.248 422 D C 0.313 176.737 176.300 0.207 0.000 1.001 422 D CA 0.142 54.308 54.000 0.276 0.000 0.961 422 D CB 1.690 42.642 40.800 0.253 0.000 1.183 422 D HN 0.551 nan 8.370 nan 0.000 0.502 423 A N 1.581 124.497 122.820 0.160 0.000 2.826 423 A HA -0.229 4.091 4.320 -0.001 0.000 0.274 423 A C 1.515 179.152 177.584 0.089 0.000 1.443 423 A CA 1.422 53.546 52.037 0.145 0.000 0.833 423 A CB -1.836 17.213 19.000 0.080 0.000 1.023 423 A HN 0.636 nan 8.150 nan 0.000 0.600 424 E N 0.194 120.370 120.200 -0.040 0.000 2.110 424 E HA -0.212 4.138 4.350 -0.001 0.000 0.193 424 E C 1.552 178.027 176.600 -0.208 0.000 0.988 424 E CA 1.579 57.841 56.400 -0.231 0.000 0.804 424 E CB -0.102 29.216 29.700 -0.636 0.000 0.745 424 E HN 0.775 nan 8.360 nan 0.000 0.458 425 E N -0.525 119.507 120.200 -0.281 0.000 2.338 425 E HA -0.133 4.217 4.350 -0.001 0.000 0.197 425 E C 1.338 177.807 176.600 -0.219 0.000 1.007 425 E CA 0.528 56.698 56.400 -0.384 0.000 0.849 425 E CB -0.256 28.751 29.700 -1.155 0.000 0.774 425 E HN 0.340 nan 8.360 nan 0.000 0.506 426 F N -0.238 119.697 119.950 -0.025 0.000 2.660 426 F HA 0.287 4.813 4.527 -0.001 0.000 0.302 426 F C 1.218 177.132 175.800 0.190 0.000 1.103 426 F CA 0.325 58.461 58.000 0.226 0.000 1.340 426 F CB 0.998 40.115 39.000 0.196 0.000 1.048 426 F HN 0.010 nan 8.300 nan 0.000 0.551 427 G N 0.198 109.100 108.800 0.170 0.000 2.188 427 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.112 427 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.112 427 G C 0.313 175.172 174.900 -0.068 0.000 1.048 427 G CA -0.422 44.697 45.100 0.031 0.000 0.720 427 G HN 0.309 nan 8.290 nan 0.000 0.487 428 L N -1.594 119.579 121.223 -0.083 0.000 3.634 428 L HA -0.262 4.078 4.340 -0.001 0.000 0.423 428 L C 1.911 178.664 176.870 -0.195 0.000 1.253 428 L CA 0.724 55.463 54.840 -0.168 0.000 0.885 428 L CB -2.057 39.869 42.059 -0.221 0.000 1.789 428 L HN 0.379 nan 8.230 nan 0.000 0.904 429 L N -0.306 120.851 121.223 -0.110 0.000 2.072 429 L HA -0.002 4.338 4.340 -0.001 0.000 0.205 429 L C 2.572 179.338 176.870 -0.174 0.000 1.079 429 L CA 1.719 56.482 54.840 -0.128 0.000 0.752 429 L CB -0.516 41.523 42.059 -0.033 0.000 0.906 429 L HN 0.577 nan 8.230 nan 0.000 0.436 430 G N 0.302 109.050 108.800 -0.086 0.000 2.404 430 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.215 430 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.215 430 G C 1.837 176.611 174.900 -0.210 0.000 1.174 430 G CA 1.000 46.100 45.100 -0.001 0.000 0.780 430 G HN 0.479 nan 8.290 nan 0.000 0.537 431 S N 0.280 115.630 115.700 -0.585 0.000 2.368 431 S HA -0.124 4.345 4.470 -0.001 0.000 0.225 431 S C 2.261 176.436 174.600 -0.709 0.000 1.030 431 S CA 2.073 59.501 58.200 -1.287 0.000 0.999 431 S CB -0.900 61.421 63.200 -1.465 0.000 0.844 431 S HN 0.263 nan 8.310 nan 0.000 0.459 432 T N 2.208 116.435 114.554 -0.545 0.000 2.777 432 T HA -0.012 4.338 4.350 -0.001 0.000 0.266 432 T C 1.808 176.234 174.700 -0.457 0.000 1.040 432 T CA 1.412 63.214 62.100 -0.496 0.000 1.141 432 T CB -0.339 68.270 68.868 -0.433 0.000 0.868 432 T HN 0.387 nan 8.240 nan 0.000 0.444 433 E N 0.127 120.038 120.200 -0.481 0.000 2.072 433 E HA -0.101 4.249 4.350 -0.001 0.000 0.191 433 E C 1.798 178.035 176.600 -0.605 0.000 0.985 433 E CA 0.772 56.786 56.400 -0.643 0.000 0.801 433 E CB -0.384 28.719 29.700 -0.995 0.000 0.750 433 E HN 0.672 nan 8.360 nan 0.000 0.452 434 W N 1.693 122.633 121.300 -0.600 0.000 2.358 434 W HA -0.139 4.521 4.660 -0.001 0.000 0.303 434 W C 2.372 178.824 176.519 -0.112 0.000 1.208 434 W CA 2.355 59.612 57.345 -0.147 0.000 1.274 434 W CB -0.226 29.352 29.460 0.197 0.000 1.138 434 W HN 0.057 nan 8.180 nan 0.000 0.515 435 A N 0.107 122.871 122.820 -0.093 0.000 1.930 435 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 435 A C 1.804 179.185 177.584 -0.338 0.000 1.175 435 A CA 1.791 53.646 52.037 -0.303 0.000 0.627 435 A CB -0.783 17.864 19.000 -0.588 0.000 0.815 435 A HN 0.468 nan 8.150 nan 0.000 0.443 436 E N -0.607 119.390 120.200 -0.338 0.000 2.110 436 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 436 E C 2.032 178.500 176.600 -0.220 0.000 0.988 436 E CA 1.290 57.515 56.400 -0.292 0.000 0.804 436 E CB -0.125 29.383 29.700 -0.321 0.000 0.745 436 E HN 0.833 nan 8.360 nan 0.000 0.458 437 E N 0.717 120.782 120.200 -0.225 0.000 2.072 437 E HA -0.135 4.214 4.350 -0.001 0.000 0.191 437 E C 1.103 177.579 176.600 -0.206 0.000 0.985 437 E CA 0.847 57.160 56.400 -0.146 0.000 0.801 437 E CB 0.212 29.874 29.700 -0.062 0.000 0.750 437 E HN 0.104 nan 8.360 nan 0.000 0.452 438 N N 0.271 118.746 118.700 -0.376 0.000 2.273 438 N HA 0.005 4.745 4.740 -0.001 0.000 0.231 438 N C 1.065 176.447 175.510 -0.214 0.000 1.134 438 N CA 0.518 53.345 53.050 -0.372 0.000 0.856 438 N CB 0.969 38.982 38.487 -0.789 0.000 1.068 438 N HN 0.146 nan 8.380 nan 0.000 0.510 439 S N 0.893 116.496 115.700 -0.163 0.000 2.383 439 S HA -0.137 4.332 4.470 -0.001 0.000 0.229 439 S C 1.904 176.495 174.600 -0.016 0.000 1.030 439 S CA 0.717 58.863 58.200 -0.089 0.000 1.002 439 S CB -0.100 63.043 63.200 -0.095 0.000 0.829 439 S HN 0.260 nan 8.310 nan 0.000 0.467 440 R N 1.001 121.496 120.500 -0.009 0.000 2.092 440 R HA 0.202 4.541 4.340 -0.001 0.000 0.231 440 R C 2.393 178.727 176.300 0.057 0.000 1.119 440 R CA 1.391 57.506 56.100 0.027 0.000 0.970 440 R CB -0.612 29.701 30.300 0.022 0.000 0.864 440 R HN 0.409 nan 8.270 nan 0.000 0.440 441 L N 0.320 121.581 121.223 0.063 0.000 2.056 441 L HA -0.155 4.184 4.340 -0.001 0.000 0.207 441 L C 2.246 179.223 176.870 0.178 0.000 1.078 441 L CA 1.206 56.127 54.840 0.135 0.000 0.749 441 L CB -0.470 41.707 42.059 0.198 0.000 0.901 441 L HN 0.193 nan 8.230 nan 0.000 0.433 442 L N -0.516 120.811 121.223 0.173 0.000 2.072 442 L HA -0.197 4.143 4.340 -0.001 0.000 0.205 442 L C 2.699 179.688 176.870 0.198 0.000 1.079 442 L CA 0.928 55.920 54.840 0.254 0.000 0.752 442 L CB -0.489 41.731 42.059 0.269 0.000 0.906 442 L HN 0.274 nan 8.230 nan 0.000 0.436 443 Q N 0.637 120.527 119.800 0.151 0.000 2.062 443 Q HA -0.254 4.086 4.340 -0.001 0.000 0.209 443 Q C 1.850 177.992 176.000 0.237 0.000 0.996 443 Q CA 1.999 57.903 55.803 0.168 0.000 0.859 443 Q CB 0.001 28.808 28.738 0.116 0.000 0.920 443 Q HN 0.364 nan 8.270 nan 0.000 0.415 444 E N -0.776 119.535 120.200 0.185 0.000 2.452 444 E HA 0.088 4.437 4.350 -0.001 0.000 0.197 444 E C 1.335 177.972 176.600 0.062 0.000 1.022 444 E CA 0.369 56.916 56.400 0.244 0.000 0.890 444 E CB 0.404 30.203 29.700 0.165 0.000 0.918 444 E HN 0.449 nan 8.360 nan 0.000 0.496 445 R N -0.057 120.412 120.500 -0.051 0.000 2.487 445 R HA 0.202 4.541 4.340 -0.001 0.000 0.272 445 R C 0.862 177.033 176.300 -0.215 0.000 0.928 445 R CA 0.208 56.145 56.100 -0.272 0.000 1.077 445 R CB 1.126 31.053 30.300 -0.622 0.000 1.265 445 R HN -0.100 nan 8.270 nan 0.000 0.537 446 G N 0.720 109.522 108.800 0.003 0.000 2.360 446 G HA2 0.269 4.229 3.960 -0.001 0.000 0.279 446 G HA3 0.269 4.229 3.960 -0.001 0.000 0.279 446 G C 0.813 175.768 174.900 0.092 0.000 1.189 446 G CA -0.412 44.778 45.100 0.150 0.000 0.941 446 G HN -0.084 nan 8.290 nan 0.000 0.445 447 V N 2.465 122.438 119.914 0.098 0.000 2.379 447 V HA 0.383 4.503 4.120 -0.001 0.000 0.243 447 V C 1.523 177.786 176.094 0.282 0.000 1.035 447 V CA 2.126 64.502 62.300 0.125 0.000 1.035 447 V CB -0.500 31.339 31.823 0.028 0.000 0.673 447 V HN 1.010 nan 8.190 nan 0.000 0.457 448 A N -1.698 121.268 122.820 0.243 0.000 2.608 448 A HA 0.681 5.000 4.320 -0.001 0.000 0.292 448 A C -2.115 175.597 177.584 0.215 0.000 1.066 448 A CA -0.379 51.827 52.037 0.281 0.000 0.676 448 A CB 1.180 20.351 19.000 0.284 0.000 1.277 448 A HN 0.197 nan 8.150 nan 0.000 0.413 449 Y N 1.802 122.147 120.300 0.075 0.000 2.373 449 Y HA 0.680 5.230 4.550 -0.001 0.000 0.336 449 Y C -1.353 174.549 175.900 0.002 0.000 0.979 449 Y CA -1.059 57.017 58.100 -0.040 0.000 1.080 449 Y CB 1.266 39.648 38.460 -0.130 0.000 1.190 449 Y HN 0.540 nan 8.280 nan 0.000 0.446 450 I N 5.813 126.014 120.570 -0.616 0.000 2.362 450 I HA 0.223 4.393 4.170 -0.001 0.000 0.289 450 I C -0.252 175.522 176.117 -0.573 0.000 0.994 450 I CA -0.731 60.336 61.300 -0.389 0.000 1.158 450 I CB 0.989 38.873 38.000 -0.193 0.000 1.315 450 I HN 0.720 nan 8.210 nan 0.000 0.451 451 N N 4.193 122.780 118.700 -0.188 0.000 2.424 451 N HA 0.577 5.317 4.740 -0.001 0.000 0.257 451 N C -0.151 175.422 175.510 0.105 0.000 1.250 451 N CA -0.058 53.059 53.050 0.112 0.000 0.946 451 N CB 1.135 39.928 38.487 0.510 0.000 1.175 451 N HN 0.706 nan 8.380 nan 0.000 0.477 452 A N 1.221 124.160 122.820 0.199 0.000 3.415 452 A HA 0.190 4.510 4.320 -0.001 0.000 0.244 452 A C -0.436 177.274 177.584 0.209 0.000 0.988 452 A CA -0.609 51.531 52.037 0.171 0.000 0.991 452 A CB -0.260 18.824 19.000 0.139 0.000 1.240 452 A HN 0.661 nan 8.150 nan 0.000 0.541 453 D N 0.473 121.021 120.400 0.247 0.000 2.342 453 D HA 0.285 4.924 4.640 -0.001 0.000 0.284 453 D C 0.661 177.058 176.300 0.161 0.000 1.198 453 D CA -0.142 53.993 54.000 0.226 0.000 1.061 453 D CB 0.596 41.600 40.800 0.340 0.000 1.130 453 D HN 0.224 nan 8.370 nan 0.000 0.541 454 S N -0.552 115.243 115.700 0.159 0.000 2.931 454 S HA -0.045 4.424 4.470 -0.001 0.000 0.342 454 S C 1.222 175.844 174.600 0.036 0.000 1.220 454 S CA 0.044 58.299 58.200 0.093 0.000 1.045 454 S CB 0.235 63.497 63.200 0.103 0.000 0.758 454 S HN 0.324 nan 8.310 nan 0.000 0.508 455 S N 1.850 117.537 115.700 -0.023 0.000 2.489 455 S HA 0.126 4.595 4.470 -0.001 0.000 0.228 455 S C 0.777 175.286 174.600 -0.152 0.000 0.995 455 S CA 0.325 58.469 58.200 -0.093 0.000 0.934 455 S CB -0.435 62.652 63.200 -0.189 0.000 0.771 455 S HN 0.789 nan 8.310 nan 0.000 0.522 456 I N -0.873 119.580 120.570 -0.194 0.000 2.722 456 I HA 0.510 4.679 4.170 -0.001 0.000 0.295 456 I C -0.271 175.720 176.117 -0.210 0.000 1.161 456 I CA -0.740 60.459 61.300 -0.169 0.000 1.032 456 I CB 2.244 40.107 38.000 -0.227 0.000 1.244 456 I HN 0.003 nan 8.210 nan 0.000 0.421 457 E N 3.269 123.423 120.200 -0.076 0.000 2.789 457 E HA 0.597 4.947 4.350 -0.001 0.000 0.217 457 E C 0.170 176.873 176.600 0.171 0.000 0.970 457 E CA -0.445 55.929 56.400 -0.044 0.000 1.201 457 E CB 1.234 31.011 29.700 0.129 0.000 1.069 457 E HN 1.056 nan 8.360 nan 0.000 0.499 458 G N 1.697 110.603 108.800 0.175 0.000 2.320 458 G HA2 0.191 4.151 3.960 -0.001 0.000 0.296 458 G HA3 0.191 4.151 3.960 -0.001 0.000 0.296 458 G C -1.361 173.536 174.900 -0.005 0.000 1.306 458 G CA -0.322 44.828 45.100 0.084 0.000 0.836 458 G HN 0.085 nan 8.290 nan 0.000 0.517 459 N N -1.407 117.215 118.700 -0.130 0.000 2.377 459 N HA 0.180 4.919 4.740 -0.001 0.000 0.259 459 N C 0.114 175.511 175.510 -0.189 0.000 1.332 459 N CA -0.407 52.409 53.050 -0.390 0.000 0.877 459 N CB 0.254 38.489 38.487 -0.419 0.000 1.299 459 N HN 0.473 nan 8.380 nan 0.000 0.501 460 Y N 0.449 120.681 120.300 -0.114 0.000 2.284 460 Y HA 0.404 4.953 4.550 -0.001 0.000 0.293 460 Y C 0.497 176.348 175.900 -0.082 0.000 1.140 460 Y CA 0.935 59.002 58.100 -0.056 0.000 1.153 460 Y CB 0.441 38.879 38.460 -0.037 0.000 1.114 460 Y HN 0.113 nan 8.280 nan 0.000 0.521 461 T N -1.102 113.203 114.554 -0.416 0.000 2.665 461 T HA 0.372 4.721 4.350 -0.001 0.000 0.303 461 T C -2.019 171.871 174.700 -1.350 0.000 1.334 461 T CA -0.606 60.994 62.100 -0.833 0.000 1.011 461 T CB 0.299 68.848 68.868 -0.531 0.000 1.573 461 T HN 0.051 nan 8.240 nan 0.000 0.492 462 L N 2.360 122.855 121.223 -1.214 0.000 2.436 462 L HA 0.690 5.030 4.340 -0.001 0.000 0.265 462 L C 0.209 176.613 176.870 -0.777 0.000 1.168 462 L CA 0.009 54.134 54.840 -1.192 0.000 0.815 462 L CB 0.691 41.876 42.059 -1.457 0.000 1.109 462 L HN 0.652 nan 8.230 nan 0.000 0.462 463 R N 3.454 123.624 120.500 -0.549 0.000 2.532 463 R HA 0.706 5.046 4.340 -0.001 0.000 0.297 463 R C -2.182 173.954 176.300 -0.274 0.000 0.984 463 R CA -0.620 55.302 56.100 -0.296 0.000 0.884 463 R CB 1.535 31.736 30.300 -0.165 0.000 1.182 463 R HN 0.508 nan 8.270 nan 0.000 0.442 464 V N 3.758 123.576 119.914 -0.160 0.000 2.588 464 V HA 0.408 4.527 4.120 -0.001 0.000 0.304 464 V C -1.111 174.937 176.094 -0.077 0.000 1.042 464 V CA -0.844 61.385 62.300 -0.117 0.000 0.877 464 V CB 2.135 33.920 31.823 -0.062 0.000 0.996 464 V HN 0.791 nan 8.190 nan 0.000 0.425 465 D N 3.274 123.594 120.400 -0.134 0.000 2.629 465 D HA 0.779 5.419 4.640 -0.001 0.000 0.250 465 D C -0.525 175.614 176.300 -0.269 0.000 1.126 465 D CA -0.046 53.840 54.000 -0.191 0.000 0.852 465 D CB 1.933 42.585 40.800 -0.247 0.000 1.335 465 D HN 0.926 nan 8.370 nan 0.000 0.518 466 C N -0.712 118.438 119.300 -0.250 0.000 3.259 466 C HA 0.703 5.162 4.460 -0.001 0.000 0.344 466 C C 0.226 174.992 174.990 -0.372 0.000 1.401 466 C CA -0.950 57.867 59.018 -0.335 0.000 1.219 466 C CB 1.158 28.805 27.740 -0.155 0.000 1.521 466 C HN 0.554 nan 8.230 nan 0.000 0.455 467 T N 1.546 115.816 114.554 -0.474 0.000 2.932 467 T HA 0.307 4.656 4.350 -0.001 0.000 0.312 467 T C -1.258 173.077 174.700 -0.609 0.000 1.071 467 T CA 0.073 61.924 62.100 -0.415 0.000 1.128 467 T CB 0.423 69.196 68.868 -0.159 0.000 0.984 467 T HN 0.677 nan 8.240 nan 0.000 0.549 468 P HA -0.053 nan 4.420 nan 0.000 0.217 468 P C 1.544 178.272 177.300 -0.954 0.000 1.148 468 P CA 1.037 63.141 63.100 -1.661 0.000 0.828 468 P CB -0.038 30.822 31.700 -1.399 0.000 0.783 469 L N -2.302 118.590 121.223 -0.551 0.000 2.265 469 L HA -0.106 4.234 4.340 -0.001 0.000 0.215 469 L C 2.102 178.928 176.870 -0.074 0.000 1.117 469 L CA 1.282 55.969 54.840 -0.254 0.000 0.782 469 L CB -0.651 41.133 42.059 -0.458 0.000 0.914 469 L HN 0.072 nan 8.230 nan 0.000 0.441 470 M N -2.467 117.068 119.600 -0.108 0.000 2.428 470 M HA 0.005 4.485 4.480 -0.001 0.000 0.239 470 M C 1.469 177.836 176.300 0.111 0.000 1.121 470 M CA 0.040 55.393 55.300 0.089 0.000 1.019 470 M CB 0.224 32.877 32.600 0.088 0.000 1.485 470 M HN 0.065 nan 8.290 nan 0.000 0.484 471 Y N 0.089 120.322 120.300 -0.111 0.000 2.128 471 Y HA -0.210 4.339 4.550 -0.001 0.000 0.284 471 Y C 2.899 178.547 175.900 -0.420 0.000 1.154 471 Y CA 1.378 59.313 58.100 -0.275 0.000 1.149 471 Y CB -1.260 37.033 38.460 -0.277 0.000 0.976 471 Y HN 0.260 nan 8.280 nan 0.000 0.505 472 S N -0.130 115.559 115.700 -0.019 0.000 2.368 472 S HA -0.132 4.337 4.470 -0.001 0.000 0.224 472 S C 2.175 176.810 174.600 0.059 0.000 1.029 472 S CA 0.948 59.149 58.200 0.001 0.000 0.988 472 S CB -0.609 62.641 63.200 0.084 0.000 0.838 472 S HN 0.332 nan 8.310 nan 0.000 0.462 473 L N 1.829 123.110 121.223 0.096 0.000 2.012 473 L HA -0.031 4.309 4.340 -0.001 0.000 0.210 473 L C 2.244 179.192 176.870 0.129 0.000 1.073 473 L CA 1.883 56.793 54.840 0.117 0.000 0.748 473 L CB -0.913 41.230 42.059 0.140 0.000 0.891 473 L HN 0.233 nan 8.230 nan 0.000 0.431 474 V N -0.337 119.652 119.914 0.124 0.000 2.358 474 V HA -0.316 3.804 4.120 -0.001 0.000 0.246 474 V C 2.401 178.703 176.094 0.346 0.000 1.047 474 V CA 2.168 64.587 62.300 0.199 0.000 1.035 474 V CB -0.930 31.017 31.823 0.207 0.000 0.658 474 V HN 0.629 nan 8.190 nan 0.000 0.452 475 H N 0.047 119.280 119.070 0.272 0.000 2.319 475 H HA -0.160 4.396 4.556 -0.001 0.000 0.299 475 H C 2.381 177.787 175.328 0.131 0.000 1.092 475 H CA 1.555 57.772 56.048 0.282 0.000 1.302 475 H CB -0.002 29.861 29.762 0.167 0.000 1.373 475 H HN 0.383 nan 8.280 nan 0.000 0.497 476 N N 0.680 119.505 118.700 0.208 0.000 2.120 476 N HA -0.131 4.609 4.740 -0.001 0.000 0.188 476 N C 1.941 177.513 175.510 0.103 0.000 1.024 476 N CA 0.663 53.772 53.050 0.098 0.000 0.852 476 N CB -0.427 38.108 38.487 0.081 0.000 1.003 476 N HN 0.198 nan 8.380 nan 0.000 0.424 477 L N 1.045 122.352 121.223 0.139 0.000 2.017 477 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 477 L C 2.169 179.120 176.870 0.134 0.000 1.073 477 L CA 1.923 56.835 54.840 0.120 0.000 0.745 477 L CB -1.404 40.728 42.059 0.122 0.000 0.894 477 L HN 0.360 nan 8.230 nan 0.000 0.432 478 T N -3.839 110.845 114.554 0.216 0.000 2.962 478 T HA -0.161 4.189 4.350 -0.001 0.000 0.270 478 T C 1.806 176.655 174.700 0.248 0.000 1.088 478 T CA 1.192 63.446 62.100 0.257 0.000 1.127 478 T CB -0.471 68.652 68.868 0.424 0.000 0.883 478 T HN 0.374 nan 8.240 nan 0.000 0.493 479 K N 0.628 121.128 120.400 0.168 0.000 2.365 479 K HA 0.040 4.360 4.320 -0.001 0.000 0.199 479 K C 1.939 178.570 176.600 0.051 0.000 1.045 479 K CA 0.793 57.115 56.287 0.059 0.000 0.962 479 K CB 0.131 32.560 32.500 -0.119 0.000 0.759 479 K HN 0.345 nan 8.250 nan 0.000 0.469 480 E N 0.235 120.468 120.200 0.055 0.000 2.472 480 E HA 0.111 4.460 4.350 -0.001 0.000 0.196 480 E C 0.267 176.884 176.600 0.029 0.000 1.033 480 E CA 0.202 56.620 56.400 0.030 0.000 0.886 480 E CB 0.406 30.116 29.700 0.017 0.000 0.944 480 E HN 0.238 nan 8.360 nan 0.000 0.492 481 L N 1.095 122.349 121.223 0.053 0.000 2.360 481 L HA 0.325 4.664 4.340 -0.001 0.000 0.271 481 L C 0.562 177.460 176.870 0.047 0.000 1.057 481 L CA -0.693 54.169 54.840 0.038 0.000 0.803 481 L CB 1.215 43.302 42.059 0.045 0.000 1.207 481 L HN -0.344 nan 8.230 nan 0.000 0.445 482 K N 1.128 121.543 120.400 0.024 0.000 2.249 482 K HA 0.185 4.505 4.320 -0.001 0.000 0.280 482 K C -0.107 176.520 176.600 0.044 0.000 1.033 482 K CA -0.246 56.060 56.287 0.031 0.000 0.946 482 K CB 1.451 33.953 32.500 0.004 0.000 1.005 482 K HN 0.496 nan 8.250 nan 0.000 0.469 483 S N 3.033 118.776 115.700 0.071 0.000 2.549 483 S HA 0.132 4.602 4.470 -0.001 0.000 0.279 483 S C -1.458 173.177 174.600 0.059 0.000 1.321 483 S CA -1.309 56.938 58.200 0.077 0.000 1.054 483 S CB 0.493 63.749 63.200 0.093 0.000 0.899 483 S HN 0.450 nan 8.310 nan 0.000 0.497 484 P HA 0.252 nan 4.420 nan 0.000 0.261 484 P C -0.733 176.585 177.300 0.030 0.000 1.268 484 P CA -0.123 62.943 63.100 -0.056 0.000 0.833 484 P CB 0.019 31.582 31.700 -0.228 0.000 1.231 485 D N 0.946 121.443 120.400 0.162 0.000 2.302 485 D HA 0.121 4.761 4.640 -0.001 0.000 0.248 485 D C 0.496 176.961 176.300 0.273 0.000 1.094 485 D CA -0.095 54.060 54.000 0.258 0.000 0.897 485 D CB 0.809 41.728 40.800 0.198 0.000 1.200 485 D HN 0.038 nan 8.370 nan 0.000 0.429 486 E N 0.339 120.681 120.200 0.236 0.000 2.465 486 E HA 0.193 4.542 4.350 -0.001 0.000 0.260 486 E C 1.035 177.757 176.600 0.203 0.000 0.980 486 E CA 0.641 57.147 56.400 0.176 0.000 0.927 486 E CB 0.560 30.348 29.700 0.146 0.000 0.934 486 E HN 0.743 nan 8.360 nan 0.000 0.459 487 G N 3.485 112.325 108.800 0.067 0.000 2.241 487 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.244 487 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.244 487 G C 0.395 175.087 174.900 -0.347 0.000 0.998 487 G CA 0.036 45.056 45.100 -0.134 0.000 0.621 487 G HN 0.541 nan 8.290 nan 0.000 0.519 488 F N 1.927 121.894 119.950 0.029 0.000 2.791 488 F HA 0.464 4.991 4.527 -0.001 0.000 0.308 488 F C 0.673 176.487 175.800 0.023 0.000 1.138 488 F CA -0.609 57.408 58.000 0.029 0.000 1.294 488 F CB 0.668 39.691 39.000 0.038 0.000 0.975 488 F HN 0.000 nan 8.300 nan 0.000 0.512 489 E N 0.374 120.641 120.200 0.112 0.000 2.480 489 E HA 0.326 4.676 4.350 -0.001 0.000 0.258 489 E C 1.285 177.919 176.600 0.057 0.000 0.984 489 E CA 1.186 57.627 56.400 0.068 0.000 0.930 489 E CB 0.196 29.912 29.700 0.027 0.000 0.936 489 E HN 0.460 nan 8.360 nan 0.000 0.466 490 G N 2.154 110.988 108.800 0.055 0.000 2.179 490 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.260 490 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.260 490 G C 0.113 175.054 174.900 0.069 0.000 0.977 490 G CA 0.160 45.287 45.100 0.045 0.000 0.641 490 G HN 0.306 nan 8.290 nan 0.000 0.533 491 K N 0.868 121.338 120.400 0.117 0.000 2.139 491 K HA 0.686 5.005 4.320 -0.001 0.000 0.243 491 K C 0.856 177.540 176.600 0.139 0.000 0.983 491 K CA 0.061 56.438 56.287 0.149 0.000 0.890 491 K CB 1.366 34.020 32.500 0.256 0.000 1.090 491 K HN 0.561 nan 8.250 nan 0.000 0.445 492 S N 0.182 115.965 115.700 0.139 0.000 2.593 492 S HA 0.064 4.534 4.470 -0.001 0.000 0.269 492 S C 1.215 175.900 174.600 0.142 0.000 1.334 492 S CA -0.561 57.719 58.200 0.134 0.000 1.015 492 S CB 0.530 63.820 63.200 0.151 0.000 0.912 492 S HN 0.534 nan 8.310 nan 0.000 0.541 493 L N 1.639 122.945 121.223 0.138 0.000 2.083 493 L HA 0.004 4.344 4.340 -0.001 0.000 0.209 493 L C 2.095 179.092 176.870 0.211 0.000 1.083 493 L CA 1.787 56.704 54.840 0.129 0.000 0.752 493 L CB -1.418 40.711 42.059 0.115 0.000 0.899 493 L HN 0.908 nan 8.230 nan 0.000 0.433 494 Y N 0.570 120.963 120.300 0.156 0.000 2.128 494 Y HA -0.328 4.222 4.550 -0.001 0.000 0.284 494 Y C 2.665 178.601 175.900 0.061 0.000 1.154 494 Y CA 2.357 60.564 58.100 0.177 0.000 1.149 494 Y CB -0.129 38.392 38.460 0.101 0.000 0.976 494 Y HN 0.491 nan 8.280 nan 0.000 0.505 495 E N -0.377 119.955 120.200 0.221 0.000 2.077 495 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 495 E C 2.259 178.820 176.600 -0.064 0.000 0.989 495 E CA 1.769 58.239 56.400 0.117 0.000 0.800 495 E CB -0.239 29.582 29.700 0.202 0.000 0.746 495 E HN 0.601 nan 8.360 nan 0.000 0.452 496 S N -0.134 115.438 115.700 -0.213 0.000 2.368 496 S HA -0.170 4.299 4.470 -0.001 0.000 0.224 496 S C 1.834 176.166 174.600 -0.446 0.000 1.029 496 S CA 0.800 58.528 58.200 -0.786 0.000 0.988 496 S CB -0.844 61.720 63.200 -1.060 0.000 0.838 496 S HN 0.577 nan 8.310 nan 0.000 0.462 497 W N 3.022 124.054 121.300 -0.446 0.000 2.355 497 W HA -0.020 4.639 4.660 -0.001 0.000 0.309 497 W C 2.198 178.474 176.519 -0.404 0.000 1.206 497 W CA 1.770 58.865 57.345 -0.418 0.000 1.284 497 W CB -1.210 28.042 29.460 -0.346 0.000 1.145 497 W HN 0.302 nan 8.180 nan 0.000 0.502 498 T N 0.655 114.888 114.554 -0.534 0.000 2.821 498 T HA -0.220 4.129 4.350 -0.001 0.000 0.267 498 T C 1.678 176.170 174.700 -0.348 0.000 1.046 498 T CA 1.999 63.705 62.100 -0.657 0.000 1.139 498 T CB -0.259 68.156 68.868 -0.754 0.000 0.871 498 T HN -0.020 nan 8.240 nan 0.000 0.454 499 K N 1.593 121.861 120.400 -0.219 0.000 2.025 499 K HA 0.023 4.343 4.320 -0.001 0.000 0.207 499 K C 2.039 178.591 176.600 -0.079 0.000 1.049 499 K CA 1.498 57.735 56.287 -0.083 0.000 0.933 499 K CB -0.115 32.428 32.500 0.071 0.000 0.714 499 K HN 0.178 nan 8.250 nan 0.000 0.438 500 K N -0.774 119.538 120.400 -0.147 0.000 2.228 500 K HA 0.056 4.375 4.320 -0.001 0.000 0.202 500 K C 0.382 176.971 176.600 -0.018 0.000 1.051 500 K CA 0.887 57.118 56.287 -0.092 0.000 0.960 500 K CB 0.207 32.471 32.500 -0.393 0.000 0.743 500 K HN -0.017 nan 8.250 nan 0.000 0.458 501 S N 1.508 117.131 115.700 -0.130 0.000 2.235 501 S HA 0.233 4.702 4.470 -0.001 0.000 0.152 501 S C -2.779 171.638 174.600 -0.305 0.000 1.649 501 S CA -1.629 56.475 58.200 -0.160 0.000 1.277 501 S CB 0.518 63.668 63.200 -0.083 0.000 1.299 501 S HN -0.075 nan 8.310 nan 0.000 0.388 502 P HA 0.106 nan 4.420 nan 0.000 0.271 502 P C 0.027 177.179 177.300 -0.245 0.000 1.218 502 P CA 0.019 62.963 63.100 -0.260 0.000 0.780 502 P CB 0.790 32.393 31.700 -0.161 0.000 0.901 503 S N 3.553 119.097 115.700 -0.260 0.000 2.552 503 S HA 0.066 4.535 4.470 -0.001 0.000 0.289 503 S C -0.987 173.530 174.600 -0.139 0.000 1.304 503 S CA -0.879 57.209 58.200 -0.185 0.000 1.063 503 S CB -0.369 62.767 63.200 -0.106 0.000 0.848 503 S HN 0.338 nan 8.310 nan 0.000 0.499 504 P HA -0.002 nan 4.420 nan 0.000 0.223 504 P C 0.425 177.620 177.300 -0.175 0.000 1.151 504 P CA 0.997 64.023 63.100 -0.124 0.000 0.787 504 P CB 0.135 31.776 31.700 -0.099 0.000 0.788 505 E N -1.425 118.630 120.200 -0.242 0.000 2.251 505 E HA 0.154 4.504 4.350 -0.001 0.000 0.194 505 E C 0.049 176.198 176.600 -0.751 0.000 0.964 505 E CA 0.497 56.558 56.400 -0.565 0.000 0.868 505 E CB -0.039 29.181 29.700 -0.799 0.000 0.828 505 E HN 0.245 nan 8.360 nan 0.000 0.481 506 F N 0.186 120.088 119.950 -0.080 0.000 2.539 506 F HA 0.382 4.909 4.527 -0.001 0.000 0.318 506 F C -0.075 175.667 175.800 -0.096 0.000 1.135 506 F CA -1.126 56.830 58.000 -0.074 0.000 0.915 506 F CB 2.051 41.011 39.000 -0.066 0.000 1.176 506 F HN -0.342 nan 8.300 nan 0.000 0.440 507 S N 1.500 117.262 115.700 0.104 0.000 2.533 507 S HA 0.410 4.880 4.470 -0.001 0.000 0.282 507 S C 0.906 175.515 174.600 0.015 0.000 1.304 507 S CA 0.690 58.906 58.200 0.027 0.000 1.063 507 S CB 0.678 63.892 63.200 0.023 0.000 0.881 507 S HN 1.166 nan 8.310 nan 0.000 0.493 508 G N 2.572 111.347 108.800 -0.041 0.000 2.157 508 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.248 508 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.248 508 G C -0.072 174.771 174.900 -0.094 0.000 0.979 508 G CA -0.049 45.025 45.100 -0.044 0.000 0.650 508 G HN 0.495 nan 8.290 nan 0.000 0.529 509 M N 0.773 120.264 119.600 -0.182 0.000 2.598 509 M HA 0.517 4.996 4.480 -0.001 0.000 0.317 509 M C -2.549 173.421 176.300 -0.550 0.000 1.179 509 M CA -2.599 52.489 55.300 -0.353 0.000 0.936 509 M CB 1.646 34.117 32.600 -0.215 0.000 1.713 509 M HN 0.013 nan 8.290 nan 0.000 0.460 510 P HA 0.358 nan 4.420 nan 0.000 0.281 510 P C -0.899 175.935 177.300 -0.776 0.000 1.264 510 P CA -0.681 61.729 63.100 -1.150 0.000 0.824 510 P CB 1.279 31.556 31.700 -2.371 0.000 1.092 511 R N 1.848 121.984 120.500 -0.606 0.000 2.401 511 R HA 0.386 4.726 4.340 -0.001 0.000 0.299 511 R C -0.584 175.597 176.300 -0.200 0.000 1.064 511 R CA -0.110 55.794 56.100 -0.326 0.000 1.000 511 R CB -0.302 29.845 30.300 -0.255 0.000 0.973 511 R HN 0.475 nan 8.270 nan 0.000 0.438 512 I N 3.001 123.447 120.570 -0.207 0.000 2.466 512 I HA 0.198 4.367 4.170 -0.001 0.000 0.289 512 I C -0.325 175.708 176.117 -0.141 0.000 1.026 512 I CA -0.638 60.587 61.300 -0.125 0.000 1.078 512 I CB 2.339 40.175 38.000 -0.273 0.000 1.249 512 I HN 0.612 nan 8.210 nan 0.000 0.429 513 S N 4.655 120.298 115.700 -0.094 0.000 2.687 513 S HA 0.396 4.866 4.470 -0.001 0.000 0.283 513 S C -0.257 174.294 174.600 -0.081 0.000 1.170 513 S CA -0.886 57.263 58.200 -0.085 0.000 1.008 513 S CB 1.397 64.524 63.200 -0.123 0.000 1.026 513 S HN 0.601 nan 8.310 nan 0.000 0.541 514 K N 0.694 121.047 120.400 -0.078 0.000 2.180 514 K HA 0.339 4.659 4.320 -0.001 0.000 0.251 514 K C -0.756 175.642 176.600 -0.338 0.000 1.014 514 K CA -0.494 55.648 56.287 -0.243 0.000 0.913 514 K CB 0.180 32.572 32.500 -0.181 0.000 1.008 514 K HN 0.409 nan 8.250 nan 0.000 0.490 515 L N 1.851 122.739 121.223 -0.559 0.000 2.380 515 L HA 0.184 4.524 4.340 -0.001 0.000 0.273 515 L C 1.035 177.777 176.870 -0.213 0.000 1.138 515 L CA 0.022 54.560 54.840 -0.504 0.000 0.832 515 L CB 1.117 42.662 42.059 -0.857 0.000 1.124 515 L HN 1.020 nan 8.230 nan 0.000 0.454 516 G N 1.038 109.835 108.800 -0.004 0.000 3.365 516 G HA2 0.485 4.444 3.960 -0.001 0.000 0.185 516 G HA3 0.485 4.444 3.960 -0.001 0.000 0.185 516 G C -0.329 174.736 174.900 0.275 0.000 1.565 516 G CA 0.104 45.266 45.100 0.102 0.000 0.984 516 G HN 0.564 nan 8.290 nan 0.000 0.604 517 S N -3.746 112.076 115.700 0.203 0.000 3.070 517 S HA 0.516 4.985 4.470 -0.001 0.000 0.320 517 S C 0.487 175.099 174.600 0.019 0.000 1.215 517 S CA 0.872 59.096 58.200 0.040 0.000 0.956 517 S CB 0.619 63.751 63.200 -0.114 0.000 1.337 517 S HN 2.281 nan 8.310 nan 0.000 0.639 518 G N 1.382 110.079 108.800 -0.172 0.000 2.160 518 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.244 518 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.244 518 G C -0.243 174.629 174.900 -0.047 0.000 1.022 518 G CA 0.466 45.522 45.100 -0.075 0.000 0.741 518 G HN 0.697 nan 8.290 nan 0.000 0.508 519 N N -1.359 117.142 118.700 -0.332 0.000 3.106 519 N HA 0.248 4.988 4.740 -0.001 0.000 0.253 519 N C -0.312 174.907 175.510 -0.484 0.000 1.506 519 N CA -0.461 52.429 53.050 -0.265 0.000 0.876 519 N CB 0.892 39.396 38.487 0.028 0.000 1.452 519 N HN -0.143 nan 8.380 nan 0.000 0.542 520 D N 0.281 120.613 120.400 -0.114 0.000 2.363 520 D HA 0.004 4.644 4.640 -0.001 0.000 0.220 520 D C 1.508 177.796 176.300 -0.020 0.000 0.994 520 D CA 0.543 54.500 54.000 -0.071 0.000 0.890 520 D CB -0.058 40.840 40.800 0.164 0.000 0.906 520 D HN 0.462 nan 8.370 nan 0.000 0.530 521 F N 0.510 120.592 119.950 0.221 0.000 2.604 521 F HA 0.149 4.676 4.527 -0.001 0.000 0.298 521 F C 1.897 177.784 175.800 0.145 0.000 1.131 521 F CA 0.072 58.159 58.000 0.145 0.000 1.457 521 F CB -0.593 38.583 39.000 0.293 0.000 1.095 521 F HN -0.157 nan 8.300 nan 0.000 0.574 522 E N 1.131 121.157 120.200 -0.290 0.000 2.058 522 E HA -0.222 4.128 4.350 -0.001 0.000 0.194 522 E C 2.332 178.945 176.600 0.020 0.000 0.997 522 E CA 1.667 58.021 56.400 -0.077 0.000 0.801 522 E CB -0.316 29.259 29.700 -0.208 0.000 0.746 522 E HN 0.352 nan 8.360 nan 0.000 0.450 523 V N 0.042 119.836 119.914 -0.201 0.000 2.343 523 V HA -0.225 3.895 4.120 -0.001 0.000 0.247 523 V C 1.839 177.777 176.094 -0.259 0.000 1.051 523 V CA 1.793 63.895 62.300 -0.330 0.000 1.036 523 V CB -0.468 30.988 31.823 -0.611 0.000 0.654 523 V HN 0.301 nan 8.190 nan 0.000 0.451 524 F N -0.968 118.965 119.950 -0.029 0.000 2.146 524 F HA -0.035 4.491 4.527 -0.001 0.000 0.298 524 F C 1.967 177.916 175.800 0.248 0.000 1.096 524 F CA 2.143 60.184 58.000 0.067 0.000 1.275 524 F CB -0.699 38.248 39.000 -0.089 0.000 1.008 524 F HN 0.286 nan 8.300 nan 0.000 0.480 525 F N 0.774 120.907 119.950 0.306 0.000 2.148 525 F HA 0.000 4.527 4.527 -0.001 0.000 0.285 525 F C 2.283 178.242 175.800 0.265 0.000 1.092 525 F CA 1.240 59.410 58.000 0.284 0.000 1.218 525 F CB -0.794 38.363 39.000 0.263 0.000 1.059 525 F HN -0.212 nan 8.300 nan 0.000 0.490 526 Q N -0.118 119.805 119.800 0.205 0.000 2.311 526 Q HA -0.002 4.337 4.340 -0.001 0.000 0.203 526 Q C 2.221 178.317 176.000 0.160 0.000 0.954 526 Q CA 0.974 56.827 55.803 0.083 0.000 0.885 526 Q CB -0.100 28.701 28.738 0.105 0.000 0.963 526 Q HN 0.321 nan 8.270 nan 0.000 0.471 527 R N -0.142 120.445 120.500 0.144 0.000 2.064 527 R HA 0.103 4.442 4.340 -0.001 0.000 0.221 527 R C 1.522 177.867 176.300 0.075 0.000 1.136 527 R CA 0.717 56.882 56.100 0.108 0.000 0.980 527 R CB 0.107 30.434 30.300 0.046 0.000 0.876 527 R HN 0.239 nan 8.270 nan 0.000 0.437 528 L N -0.415 120.852 121.223 0.073 0.000 2.529 528 L HA 0.280 4.619 4.340 -0.001 0.000 0.223 528 L C 0.828 177.780 176.870 0.136 0.000 1.113 528 L CA 0.478 55.373 54.840 0.092 0.000 0.861 528 L CB 0.435 42.551 42.059 0.096 0.000 1.012 528 L HN 0.576 nan 8.230 nan 0.000 0.461 529 G N 1.735 110.628 108.800 0.154 0.000 2.256 529 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.272 529 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.272 529 G C -0.097 174.953 174.900 0.250 0.000 1.076 529 G CA -0.147 45.050 45.100 0.161 0.000 0.882 529 G HN 0.275 nan 8.290 nan 0.000 0.497 530 I N 0.966 121.748 120.570 0.354 0.000 2.336 530 I HA 0.556 4.726 4.170 -0.001 0.000 0.292 530 I C 1.122 177.533 176.117 0.489 0.000 0.991 530 I CA -0.633 60.898 61.300 0.384 0.000 1.227 530 I CB 1.693 39.951 38.000 0.430 0.000 1.366 530 I HN 0.386 nan 8.210 nan 0.000 0.466 531 A N 5.163 128.197 122.820 0.356 0.000 2.580 531 A HA 0.299 4.619 4.320 -0.001 0.000 0.244 531 A C 0.087 177.828 177.584 0.261 0.000 1.045 531 A CA 0.579 52.775 52.037 0.264 0.000 0.761 531 A CB -0.136 18.804 19.000 -0.101 0.000 0.962 531 A HN 0.688 nan 8.150 nan 0.000 0.512 532 S N 0.397 116.145 115.700 0.081 0.000 2.599 532 S HA 0.904 5.374 4.470 -0.001 0.000 0.287 532 S C 0.131 174.569 174.600 -0.269 0.000 1.105 532 S CA -0.035 58.159 58.200 -0.009 0.000 0.899 532 S CB 2.261 65.487 63.200 0.043 0.000 1.100 532 S HN 1.574 nan 8.310 nan 0.000 0.482 533 G N 0.740 109.432 108.800 -0.179 0.000 2.660 533 G HA2 0.773 4.733 3.960 -0.001 0.000 0.290 533 G HA3 0.773 4.733 3.960 -0.001 0.000 0.290 533 G C -1.831 172.956 174.900 -0.188 0.000 1.432 533 G CA -0.937 44.020 45.100 -0.239 0.000 0.807 533 G HN 0.802 nan 8.290 nan 0.000 0.485 534 R N -1.177 119.210 120.500 -0.187 0.000 2.680 534 R HA 0.853 5.192 4.340 -0.001 0.000 0.269 534 R C -1.372 174.873 176.300 -0.091 0.000 1.026 534 R CA -0.858 55.185 56.100 -0.095 0.000 0.889 534 R CB 1.700 31.956 30.300 -0.073 0.000 1.241 534 R HN 1.595 nan 8.270 nan 0.000 0.463 535 A N 1.691 124.478 122.820 -0.055 0.000 2.547 535 A HA 0.803 5.122 4.320 -0.001 0.000 0.297 535 A C -1.247 176.303 177.584 -0.058 0.000 1.056 535 A CA -0.911 51.067 52.037 -0.098 0.000 0.688 535 A CB 1.759 20.686 19.000 -0.122 0.000 1.282 535 A HN 1.019 nan 8.150 nan 0.000 0.400 536 R N 0.095 120.539 120.500 -0.092 0.000 2.728 536 R HA 0.591 4.930 4.340 -0.001 0.000 0.274 536 R C -1.877 174.386 176.300 -0.063 0.000 1.030 536 R CA -0.839 55.241 56.100 -0.034 0.000 0.876 536 R CB 0.588 30.885 30.300 -0.005 0.000 1.259 536 R HN 0.503 nan 8.270 nan 0.000 0.468 537 Y N 0.261 120.475 120.300 -0.143 0.000 2.309 537 Y HA 0.445 4.994 4.550 -0.001 0.000 0.327 537 Y C 0.482 176.325 175.900 -0.095 0.000 1.172 537 Y CA 0.916 58.922 58.100 -0.158 0.000 1.280 537 Y CB 1.981 40.324 38.460 -0.196 0.000 1.234 537 Y HN 0.728 nan 8.280 nan 0.000 0.512 538 T N 3.047 117.534 114.554 -0.112 0.000 2.804 538 T HA 0.456 4.806 4.350 -0.001 0.000 0.290 538 T C -0.947 173.823 174.700 0.118 0.000 1.099 538 T CA -1.023 61.114 62.100 0.062 0.000 1.011 538 T CB 0.891 69.858 68.868 0.165 0.000 1.291 538 T HN 0.634 nan 8.240 nan 0.000 0.523 539 K N 1.340 121.840 120.400 0.166 0.000 2.179 539 K HA 0.452 4.772 4.320 -0.001 0.000 0.238 539 K C -0.033 176.672 176.600 0.174 0.000 1.033 539 K CA -0.862 55.478 56.287 0.088 0.000 0.926 539 K CB 0.243 32.701 32.500 -0.071 0.000 1.151 539 K HN 0.385 nan 8.250 nan 0.000 0.492 540 N N 0.657 119.256 118.700 -0.167 0.000 2.401 540 N HA 0.011 4.751 4.740 -0.001 0.000 0.255 540 N C -0.384 175.064 175.510 -0.103 0.000 1.110 540 N CA -0.384 52.419 53.050 -0.413 0.000 0.949 540 N CB 0.038 37.903 38.487 -1.037 0.000 1.110 540 N HN 0.631 nan 8.380 nan 0.000 0.490 541 W N 2.240 123.401 121.300 -0.231 0.000 2.465 541 W HA 0.017 4.677 4.660 -0.000 0.000 0.268 541 W C 1.760 178.161 176.519 -0.196 0.000 1.242 541 W CA 0.143 57.360 57.345 -0.214 0.000 1.248 541 W CB 0.095 29.468 29.460 -0.146 0.000 1.118 541 W HN 0.583 nan 8.180 nan 0.000 0.587 542 E N -0.773 119.445 120.200 0.031 0.000 2.047 542 E HA -0.137 4.213 4.350 -0.001 0.000 0.191 542 E C 2.036 178.597 176.600 -0.065 0.000 0.987 542 E CA 2.215 58.605 56.400 -0.016 0.000 0.799 542 E CB -1.139 28.549 29.700 -0.020 0.000 0.752 542 E HN 0.369 nan 8.360 nan 0.000 0.449 543 T N -1.326 113.162 114.554 -0.110 0.000 3.060 543 T HA 0.096 4.446 4.350 -0.001 0.000 0.249 543 T C 0.663 175.307 174.700 -0.093 0.000 1.079 543 T CA -0.251 61.796 62.100 -0.088 0.000 1.013 543 T CB 0.098 68.914 68.868 -0.087 0.000 0.975 543 T HN -0.146 nan 8.240 nan 0.000 0.518 544 N N 2.066 120.646 118.700 -0.199 0.000 2.479 544 N HA 0.221 4.961 4.740 -0.001 0.000 0.261 544 N C 0.389 175.595 175.510 -0.505 0.000 0.979 544 N CA -0.337 52.502 53.050 -0.351 0.000 0.930 544 N CB 2.106 40.220 38.487 -0.621 0.000 1.172 544 N HN 0.359 nan 8.380 nan 0.000 0.499 545 K N 2.872 123.094 120.400 -0.296 0.000 2.393 545 K HA 0.026 4.345 4.320 -0.001 0.000 0.193 545 K C 0.252 176.692 176.600 -0.267 0.000 1.026 545 K CA 0.032 56.173 56.287 -0.244 0.000 1.064 545 K CB 0.098 32.543 32.500 -0.091 0.000 0.833 545 K HN 0.389 nan 8.250 nan 0.000 0.521 546 F N 1.449 121.277 119.950 -0.203 0.000 2.440 546 F HA 0.295 4.822 4.527 -0.001 0.000 0.323 546 F C -0.204 175.359 175.800 -0.394 0.000 1.192 546 F CA -1.024 56.804 58.000 -0.287 0.000 1.252 546 F CB 0.155 39.039 39.000 -0.194 0.000 1.214 546 F HN -0.223 nan 8.300 nan 0.000 0.578 547 S N 0.833 116.357 115.700 -0.294 0.000 2.508 547 S HA 0.582 5.052 4.470 -0.001 0.000 0.284 547 S C 0.704 175.181 174.600 -0.205 0.000 1.192 547 S CA -0.418 57.563 58.200 -0.364 0.000 1.070 547 S CB 0.693 63.662 63.200 -0.384 0.000 1.004 547 S HN 1.442 nan 8.310 nan 0.000 0.493 548 G N 2.151 110.773 108.800 -0.297 0.000 2.652 548 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.318 548 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.318 548 G C -0.317 174.669 174.900 0.143 0.000 1.295 548 G CA 1.010 45.980 45.100 -0.217 0.000 0.999 548 G HN 1.240 nan 8.290 nan 0.000 0.548 549 Y N -1.713 118.656 120.300 0.116 0.000 2.468 549 Y HA 0.719 5.269 4.550 -0.001 0.000 0.342 549 Y C -1.715 174.352 175.900 0.278 0.000 1.021 549 Y CA -2.183 56.075 58.100 0.262 0.000 1.079 549 Y CB 1.211 39.791 38.460 0.201 0.000 1.226 549 Y HN 0.191 nan 8.280 nan 0.000 0.460 550 P HA -0.111 nan 4.420 nan 0.000 0.218 550 P C 0.864 178.325 177.300 0.268 0.000 1.148 550 P CA 1.515 64.783 63.100 0.281 0.000 0.822 550 P CB 0.274 32.052 31.700 0.130 0.000 0.784 551 L N -3.017 118.406 121.223 0.333 0.000 2.611 551 L HA 0.096 4.436 4.340 -0.001 0.000 0.229 551 L C 0.634 177.628 176.870 0.208 0.000 1.137 551 L CA -0.689 54.325 54.840 0.290 0.000 0.901 551 L CB -0.799 41.464 42.059 0.340 0.000 1.098 551 L HN -0.018 nan 8.230 nan 0.000 0.456 552 Y N 1.800 121.930 120.300 -0.285 0.000 2.916 552 Y HA -0.221 4.328 4.550 -0.000 0.000 0.344 552 Y C 1.153 176.979 175.900 -0.122 0.000 1.282 552 Y CA 0.495 58.291 58.100 -0.505 0.000 1.604 552 Y CB -0.721 37.173 38.460 -0.943 0.000 1.207 552 Y HN 0.247 nan 8.280 nan 0.000 0.561 553 H N 1.917 120.760 119.070 -0.379 0.000 2.992 553 H HA -0.229 4.326 4.556 -0.001 0.000 0.266 553 H C 0.391 175.563 175.328 -0.260 0.000 1.200 553 H CA 0.409 56.225 56.048 -0.388 0.000 1.135 553 H CB -1.116 28.154 29.762 -0.821 0.000 1.282 553 H HN 0.553 nan 8.280 nan 0.000 0.351 554 S N -0.389 115.298 115.700 -0.023 0.000 2.722 554 S HA 0.352 4.822 4.470 -0.001 0.000 0.292 554 S C 1.221 175.766 174.600 -0.091 0.000 1.135 554 S CA -0.115 58.046 58.200 -0.065 0.000 1.003 554 S CB 2.178 65.396 63.200 0.030 0.000 1.067 554 S HN 0.169 nan 8.310 nan 0.000 0.546 555 V N 2.918 122.674 119.914 -0.263 0.000 2.913 555 V HA -0.026 4.093 4.120 -0.001 0.000 0.260 555 V C 0.949 176.889 176.094 -0.257 0.000 1.098 555 V CA 1.622 63.768 62.300 -0.257 0.000 1.121 555 V CB -1.077 30.542 31.823 -0.340 0.000 0.714 555 V HN 0.892 nan 8.190 nan 0.000 0.487 556 Y N 0.103 120.399 120.300 -0.006 0.000 2.546 556 Y HA 0.219 4.768 4.550 -0.001 0.000 0.287 556 Y C 1.537 177.244 175.900 -0.323 0.000 1.158 556 Y CA -0.152 57.803 58.100 -0.242 0.000 1.307 556 Y CB -0.183 38.122 38.460 -0.259 0.000 1.036 556 Y HN 0.290 nan 8.280 nan 0.000 0.532 557 E N 2.066 122.291 120.200 0.042 0.000 1.791 557 E HA 0.081 4.430 4.350 -0.001 0.000 0.263 557 E C -0.094 176.579 176.600 0.121 0.000 1.213 557 E CA -0.041 56.424 56.400 0.108 0.000 0.991 557 E CB 0.057 29.894 29.700 0.228 0.000 1.068 557 E HN 0.300 nan 8.360 nan 0.000 0.417 558 T N -0.587 113.999 114.554 0.054 0.000 2.910 558 T HA 0.103 4.453 4.350 -0.001 0.000 0.287 558 T C 0.791 175.619 174.700 0.214 0.000 1.050 558 T CA -0.790 61.366 62.100 0.094 0.000 1.011 558 T CB 0.674 69.526 68.868 -0.027 0.000 1.195 558 T HN 0.372 nan 8.240 nan 0.000 0.540 559 Y N 1.236 121.639 120.300 0.171 0.000 2.151 559 Y HA -0.145 4.405 4.550 -0.001 0.000 0.284 559 Y C 2.180 178.242 175.900 0.271 0.000 1.166 559 Y CA 2.179 60.417 58.100 0.230 0.000 1.163 559 Y CB -0.445 38.149 38.460 0.223 0.000 0.974 559 Y HN 0.767 nan 8.280 nan 0.000 0.511 560 E N 0.172 120.557 120.200 0.309 0.000 2.153 560 E HA -0.176 4.174 4.350 -0.001 0.000 0.194 560 E C 1.990 178.739 176.600 0.248 0.000 0.988 560 E CA 1.158 57.703 56.400 0.241 0.000 0.811 560 E CB -0.612 29.345 29.700 0.428 0.000 0.746 560 E HN 0.507 nan 8.360 nan 0.000 0.466 561 L N 0.107 121.550 121.223 0.366 0.000 2.012 561 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 561 L C 1.992 179.097 176.870 0.391 0.000 1.073 561 L CA 1.556 56.710 54.840 0.525 0.000 0.748 561 L CB -0.494 41.741 42.059 0.293 0.000 0.891 561 L HN 0.031 nan 8.230 nan 0.000 0.431 562 V N -0.254 119.738 119.914 0.129 0.000 2.270 562 V HA -0.215 3.904 4.120 -0.001 0.000 0.245 562 V C 2.679 178.713 176.094 -0.101 0.000 1.043 562 V CA 1.935 64.254 62.300 0.031 0.000 1.014 562 V CB -0.776 31.027 31.823 -0.032 0.000 0.645 562 V HN 0.541 nan 8.190 nan 0.000 0.447 563 E N 0.446 120.495 120.200 -0.252 0.000 2.106 563 E HA -0.210 4.139 4.350 -0.001 0.000 0.192 563 E C 2.187 178.681 176.600 -0.177 0.000 0.984 563 E CA 1.359 57.611 56.400 -0.246 0.000 0.806 563 E CB 0.055 29.517 29.700 -0.397 0.000 0.750 563 E HN 0.580 nan 8.360 nan 0.000 0.458 564 K N -1.325 118.940 120.400 -0.225 0.000 2.166 564 K HA 0.010 4.329 4.320 -0.001 0.000 0.201 564 K C 1.690 177.974 176.600 -0.525 0.000 1.052 564 K CA 0.813 56.809 56.287 -0.486 0.000 0.969 564 K CB 0.181 32.163 32.500 -0.864 0.000 0.761 564 K HN 0.064 nan 8.250 nan 0.000 0.459 565 F N -2.180 117.849 119.950 0.131 0.000 2.711 565 F HA 0.175 4.702 4.527 -0.001 0.000 0.296 565 F C 1.465 177.207 175.800 -0.097 0.000 1.096 565 F CA -0.093 57.963 58.000 0.094 0.000 1.280 565 F CB 0.063 39.208 39.000 0.241 0.000 1.060 565 F HN -0.113 nan 8.300 nan 0.000 0.608 566 Y N -0.665 119.671 120.300 0.061 0.000 2.353 566 Y HA 0.160 4.709 4.550 -0.001 0.000 0.294 566 Y C 0.428 176.308 175.900 -0.034 0.000 1.135 566 Y CA 0.666 58.735 58.100 -0.051 0.000 1.176 566 Y CB 0.509 38.910 38.460 -0.098 0.000 1.124 566 Y HN -0.207 nan 8.280 nan 0.000 0.537 567 D N -1.474 118.935 120.400 0.014 0.000 3.118 567 D HA 0.201 4.841 4.640 -0.001 0.000 0.259 567 D C -2.488 173.574 176.300 -0.396 0.000 1.292 567 D CA -1.626 52.309 54.000 -0.109 0.000 0.784 567 D CB 0.613 41.363 40.800 -0.083 0.000 1.413 567 D HN -0.104 nan 8.370 nan 0.000 0.583 568 P HA -0.070 nan 4.420 nan 0.000 0.218 568 P C 1.394 178.688 177.300 -0.010 0.000 1.148 568 P CA 1.088 64.120 63.100 -0.113 0.000 0.822 568 P CB 0.093 31.760 31.700 -0.054 0.000 0.784 569 M N -3.469 116.091 119.600 -0.066 0.000 2.495 569 M HA 0.180 4.659 4.480 -0.001 0.000 0.237 569 M C 0.064 176.403 176.300 0.067 0.000 1.131 569 M CA 0.114 55.411 55.300 -0.005 0.000 1.032 569 M CB -0.388 32.152 32.600 -0.100 0.000 1.513 569 M HN -0.207 nan 8.290 nan 0.000 0.488 570 F N 1.193 121.077 119.950 -0.110 0.000 3.093 570 F HA -0.391 4.136 4.527 -0.001 0.000 0.283 570 F C 1.650 177.387 175.800 -0.105 0.000 0.848 570 F CA 1.407 59.350 58.000 -0.095 0.000 1.059 570 F CB -1.676 37.222 39.000 -0.171 0.000 1.191 570 F HN 0.324 nan 8.300 nan 0.000 0.514 571 K N -1.040 119.251 120.400 -0.181 0.000 2.155 571 K HA -0.140 4.179 4.320 -0.001 0.000 0.203 571 K C 1.420 177.791 176.600 -0.381 0.000 1.052 571 K CA 1.840 57.942 56.287 -0.307 0.000 0.948 571 K CB -0.475 31.748 32.500 -0.461 0.000 0.728 571 K HN 0.371 nan 8.250 nan 0.000 0.448 572 Y N 1.414 121.581 120.300 -0.221 0.000 2.220 572 Y HA -0.068 4.481 4.550 -0.001 0.000 0.291 572 Y C 2.257 178.015 175.900 -0.237 0.000 1.129 572 Y CA 1.267 59.090 58.100 -0.463 0.000 1.161 572 Y CB -0.880 37.214 38.460 -0.611 0.000 0.997 572 Y HN 0.163 nan 8.280 nan 0.000 0.522 573 H N -0.819 118.244 119.070 -0.011 0.000 2.319 573 H HA -0.183 4.373 4.556 -0.001 0.000 0.299 573 H C 2.114 177.468 175.328 0.043 0.000 1.092 573 H CA 1.888 57.977 56.048 0.069 0.000 1.302 573 H CB -0.552 29.330 29.762 0.199 0.000 1.373 573 H HN 0.221 nan 8.280 nan 0.000 0.497 574 L N 0.036 121.340 121.223 0.135 0.000 2.046 574 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 574 L C 2.090 178.957 176.870 -0.007 0.000 1.077 574 L CA 1.866 56.727 54.840 0.035 0.000 0.747 574 L CB -0.860 41.184 42.059 -0.026 0.000 0.896 574 L HN 0.209 nan 8.230 nan 0.000 0.432 575 T N -1.082 113.450 114.554 -0.037 0.000 2.684 575 T HA -0.173 4.176 4.350 -0.001 0.000 0.267 575 T C 1.946 176.662 174.700 0.026 0.000 1.036 575 T CA 1.750 63.837 62.100 -0.021 0.000 1.148 575 T CB -0.376 68.464 68.868 -0.047 0.000 0.863 575 T HN 0.216 nan 8.240 nan 0.000 0.436 576 V N 1.604 121.543 119.914 0.042 0.000 2.407 576 V HA -0.148 3.972 4.120 -0.001 0.000 0.248 576 V C 2.835 178.970 176.094 0.067 0.000 1.055 576 V CA 1.564 63.898 62.300 0.057 0.000 1.049 576 V CB -1.166 30.684 31.823 0.045 0.000 0.662 576 V HN 0.524 nan 8.190 nan 0.000 0.455 577 A N -0.633 122.233 122.820 0.077 0.000 1.902 577 A HA -0.285 4.034 4.320 -0.001 0.000 0.217 577 A C 2.182 179.812 177.584 0.076 0.000 1.181 577 A CA 1.890 53.980 52.037 0.090 0.000 0.623 577 A CB -0.453 18.587 19.000 0.068 0.000 0.818 577 A HN 0.622 nan 8.150 nan 0.000 0.443 578 Q N -0.558 119.258 119.800 0.027 0.000 2.124 578 Q HA -0.114 4.225 4.340 -0.001 0.000 0.202 578 Q C 2.140 178.190 176.000 0.083 0.000 0.977 578 Q CA 1.648 57.468 55.803 0.028 0.000 0.850 578 Q CB -0.344 28.382 28.738 -0.019 0.000 0.901 578 Q HN 0.515 nan 8.270 nan 0.000 0.429 579 V N 0.739 120.690 119.914 0.060 0.000 2.283 579 V HA -0.235 3.884 4.120 -0.001 0.000 0.243 579 V C 2.172 178.316 176.094 0.082 0.000 1.039 579 V CA 1.785 64.115 62.300 0.049 0.000 1.016 579 V CB -0.456 31.359 31.823 -0.013 0.000 0.650 579 V HN 0.273 nan 8.190 nan 0.000 0.449 580 R N 0.253 120.807 120.500 0.089 0.000 2.073 580 R HA -0.096 4.244 4.340 -0.001 0.000 0.234 580 R C 2.463 178.868 176.300 0.175 0.000 1.134 580 R CA 1.559 57.723 56.100 0.106 0.000 0.952 580 R CB -0.903 29.460 30.300 0.106 0.000 0.850 580 R HN 0.582 nan 8.270 nan 0.000 0.433 581 G N 0.015 108.972 108.800 0.262 0.000 2.408 581 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.217 581 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.217 581 G C 1.493 176.595 174.900 0.337 0.000 1.150 581 G CA 0.760 46.110 45.100 0.416 0.000 0.776 581 G HN 0.455 nan 8.290 nan 0.000 0.542 582 G N 0.715 109.703 108.800 0.313 0.000 2.418 582 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.217 582 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.217 582 G C 1.885 176.907 174.900 0.204 0.000 1.158 582 G CA 0.939 46.179 45.100 0.233 0.000 0.771 582 G HN 0.410 nan 8.290 nan 0.000 0.545 583 M N -0.019 119.676 119.600 0.159 0.000 2.086 583 M HA -0.065 4.415 4.480 -0.001 0.000 0.261 583 M C 2.706 179.078 176.300 0.120 0.000 1.067 583 M CA 0.982 56.358 55.300 0.126 0.000 1.116 583 M CB -0.364 32.289 32.600 0.088 0.000 1.348 583 M HN 0.105 nan 8.290 nan 0.000 0.407 584 V N 0.006 119.994 119.914 0.125 0.000 2.287 584 V HA -0.295 3.825 4.120 -0.001 0.000 0.248 584 V C 2.112 178.265 176.094 0.098 0.000 1.053 584 V CA 2.055 64.398 62.300 0.071 0.000 1.027 584 V CB -0.784 31.097 31.823 0.097 0.000 0.646 584 V HN 0.376 nan 8.190 nan 0.000 0.447 585 F N 1.089 121.085 119.950 0.078 0.000 2.065 585 F HA -0.270 4.257 4.527 -0.001 0.000 0.298 585 F C 2.502 178.339 175.800 0.062 0.000 1.112 585 F CA 2.417 60.464 58.000 0.078 0.000 1.212 585 F CB -0.068 38.868 39.000 -0.106 0.000 0.975 585 F HN 0.154 nan 8.300 nan 0.000 0.476 586 E N 0.311 120.708 120.200 0.329 0.000 2.152 586 E HA -0.135 4.215 4.350 -0.001 0.000 0.192 586 E C 2.061 178.683 176.600 0.037 0.000 0.983 586 E CA 1.203 57.732 56.400 0.214 0.000 0.818 586 E CB -0.368 29.441 29.700 0.182 0.000 0.758 586 E HN 0.513 nan 8.360 nan 0.000 0.467 587 L N -0.451 120.769 121.223 -0.005 0.000 2.093 587 L HA -0.073 4.266 4.340 -0.001 0.000 0.208 587 L C 2.280 179.069 176.870 -0.135 0.000 1.085 587 L CA 1.255 56.037 54.840 -0.096 0.000 0.755 587 L CB -0.335 41.689 42.059 -0.059 0.000 0.904 587 L HN 0.162 nan 8.230 nan 0.000 0.435 588 A N -1.039 121.689 122.820 -0.154 0.000 2.132 588 A HA -0.004 4.315 4.320 -0.001 0.000 0.213 588 A C 1.742 179.191 177.584 -0.226 0.000 1.154 588 A CA 0.824 52.731 52.037 -0.217 0.000 0.753 588 A CB -0.107 18.710 19.000 -0.305 0.000 0.826 588 A HN 0.434 nan 8.150 nan 0.000 0.469 589 N N -0.805 117.776 118.700 -0.198 0.000 2.168 589 N HA 0.074 4.814 4.740 -0.001 0.000 0.216 589 N C -0.455 175.041 175.510 -0.022 0.000 1.259 589 N CA 0.078 53.037 53.050 -0.150 0.000 0.902 589 N CB 0.655 38.974 38.487 -0.280 0.000 1.079 589 N HN 0.152 nan 8.380 nan 0.000 0.507 590 S N 1.582 117.278 115.700 -0.007 0.000 2.505 590 S HA 0.259 4.728 4.470 -0.001 0.000 0.276 590 S C 1.924 176.520 174.600 -0.006 0.000 1.274 590 S CA -0.410 57.803 58.200 0.021 0.000 1.053 590 S CB 0.929 64.141 63.200 0.019 0.000 0.919 590 S HN 0.125 nan 8.310 nan 0.000 0.490 591 I N 2.450 123.031 120.570 0.019 0.000 2.151 591 I HA -0.133 4.036 4.170 -0.001 0.000 0.243 591 I C 0.621 176.757 176.117 0.030 0.000 1.080 591 I CA 1.057 62.370 61.300 0.021 0.000 1.339 591 I CB -0.331 37.691 38.000 0.036 0.000 1.039 591 I HN 0.325 nan 8.210 nan 0.000 0.409 592 V N 2.055 121.997 119.914 0.045 0.000 2.439 592 V HA 0.111 4.231 4.120 -0.001 0.000 0.282 592 V C 0.206 176.287 176.094 -0.022 0.000 1.039 592 V CA -0.608 61.725 62.300 0.055 0.000 0.913 592 V CB 1.175 33.066 31.823 0.114 0.000 0.983 592 V HN 0.266 nan 8.190 nan 0.000 0.460 593 Q N 6.363 126.112 119.800 -0.085 0.000 2.304 593 Q HA 0.062 4.402 4.340 -0.001 0.000 0.301 593 Q C -1.901 173.946 176.000 -0.254 0.000 1.063 593 Q CA -0.782 54.855 55.803 -0.276 0.000 0.947 593 Q CB 0.533 29.012 28.738 -0.431 0.000 1.201 593 Q HN 0.516 nan 8.270 nan 0.000 0.389 594 P HA 0.136 nan 4.420 nan 0.000 0.212 594 P C -1.232 176.103 177.300 0.057 0.000 1.816 594 P CA 0.134 63.182 63.100 -0.087 0.000 0.944 594 P CB -0.072 31.606 31.700 -0.036 0.000 1.896 595 F N 0.476 120.485 119.950 0.099 0.000 2.495 595 F HA 0.404 4.930 4.527 -0.001 0.000 0.327 595 F C 0.639 176.516 175.800 0.127 0.000 1.103 595 F CA -1.699 56.363 58.000 0.103 0.000 0.949 595 F CB 1.475 40.546 39.000 0.119 0.000 1.142 595 F HN -0.083 nan 8.300 nan 0.000 0.457 596 D N 1.914 122.496 120.400 0.303 0.000 2.460 596 D HA 0.191 4.831 4.640 -0.001 0.000 0.232 596 D C 1.038 177.475 176.300 0.228 0.000 1.079 596 D CA -0.339 53.802 54.000 0.235 0.000 0.864 596 D CB 1.059 41.959 40.800 0.168 0.000 1.048 596 D HN 0.653 nan 8.370 nan 0.000 0.523 597 C N 3.265 122.726 119.300 0.268 0.000 2.410 597 C HA -0.013 4.447 4.460 -0.001 0.000 0.281 597 C C 2.184 177.380 174.990 0.343 0.000 1.318 597 C CA 0.083 59.275 59.018 0.291 0.000 1.776 597 C CB -0.783 27.039 27.740 0.136 0.000 1.942 597 C HN 0.573 nan 8.230 nan 0.000 0.508 598 R N 1.177 121.832 120.500 0.258 0.000 2.152 598 R HA -0.083 4.257 4.340 -0.001 0.000 0.232 598 R C 1.655 178.082 176.300 0.210 0.000 1.117 598 R CA 1.699 57.942 56.100 0.239 0.000 0.981 598 R CB -0.372 30.032 30.300 0.173 0.000 0.870 598 R HN 0.585 nan 8.270 nan 0.000 0.451 599 D N -0.402 120.090 120.400 0.153 0.000 2.224 599 D HA -0.142 4.498 4.640 -0.001 0.000 0.205 599 D C 1.430 177.737 176.300 0.013 0.000 0.965 599 D CA 1.034 55.073 54.000 0.065 0.000 0.852 599 D CB -0.056 40.730 40.800 -0.023 0.000 0.947 599 D HN 0.180 nan 8.370 nan 0.000 0.494 600 Y N 1.515 121.832 120.300 0.029 0.000 2.242 600 Y HA -0.089 4.461 4.550 -0.001 0.000 0.291 600 Y C 2.369 178.201 175.900 -0.114 0.000 1.137 600 Y CA 0.831 58.899 58.100 -0.053 0.000 1.181 600 Y CB -0.425 38.081 38.460 0.076 0.000 0.989 600 Y HN -0.075 nan 8.280 nan 0.000 0.527 601 A N -1.003 121.996 122.820 0.299 0.000 1.902 601 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 601 A C 2.420 180.067 177.584 0.106 0.000 1.181 601 A CA 1.889 54.057 52.037 0.219 0.000 0.623 601 A CB -1.204 18.058 19.000 0.437 0.000 0.818 601 A HN 0.235 nan 8.150 nan 0.000 0.443 602 V N 0.275 120.256 119.914 0.111 0.000 2.295 602 V HA -0.258 3.861 4.120 -0.001 0.000 0.246 602 V C 2.780 178.873 176.094 -0.002 0.000 1.049 602 V CA 2.134 64.491 62.300 0.095 0.000 1.024 602 V CB -0.898 31.002 31.823 0.128 0.000 0.648 602 V HN 0.628 nan 8.190 nan 0.000 0.447 603 V N -1.650 118.197 119.914 -0.111 0.000 2.453 603 V HA -0.156 3.964 4.120 -0.001 0.000 0.247 603 V C 2.188 177.899 176.094 -0.638 0.000 1.048 603 V CA 1.684 63.726 62.300 -0.431 0.000 1.049 603 V CB -0.759 30.756 31.823 -0.513 0.000 0.672 603 V HN 0.448 nan 8.190 nan 0.000 0.457 604 L N 0.041 121.075 121.223 -0.315 0.000 2.079 604 L HA -0.143 4.197 4.340 -0.001 0.000 0.210 604 L C 2.931 179.801 176.870 -0.000 0.000 1.081 604 L CA 2.184 56.923 54.840 -0.169 0.000 0.752 604 L CB -0.624 41.334 42.059 -0.169 0.000 0.896 604 L HN 0.366 nan 8.230 nan 0.000 0.433 605 R N 0.895 121.401 120.500 0.010 0.000 2.075 605 R HA -0.175 4.165 4.340 -0.001 0.000 0.232 605 R C 2.202 178.579 176.300 0.127 0.000 1.126 605 R CA 1.647 57.817 56.100 0.117 0.000 0.963 605 R CB -0.361 30.026 30.300 0.144 0.000 0.858 605 R HN 0.186 nan 8.270 nan 0.000 0.435 606 K N -0.911 119.500 120.400 0.019 0.000 2.044 606 K HA -0.209 4.111 4.320 -0.001 0.000 0.210 606 K C 1.672 178.387 176.600 0.191 0.000 1.049 606 K CA 1.787 58.101 56.287 0.044 0.000 0.927 606 K CB -0.287 32.166 32.500 -0.078 0.000 0.713 606 K HN 0.200 nan 8.250 nan 0.000 0.443 607 Y N 0.208 120.590 120.300 0.137 0.000 2.242 607 Y HA -0.024 4.526 4.550 -0.001 0.000 0.291 607 Y C 2.392 178.498 175.900 0.344 0.000 1.137 607 Y CA 0.495 58.704 58.100 0.183 0.000 1.181 607 Y CB -1.050 37.390 38.460 -0.033 0.000 0.989 607 Y HN 0.187 nan 8.280 nan 0.000 0.527 608 A N 0.285 123.373 122.820 0.446 0.000 1.877 608 A HA -0.174 4.146 4.320 -0.001 0.000 0.216 608 A C 1.998 179.659 177.584 0.129 0.000 1.186 608 A CA 1.909 53.979 52.037 0.054 0.000 0.620 608 A CB -0.733 18.027 19.000 -0.400 0.000 0.822 608 A HN 0.309 nan 8.150 nan 0.000 0.443 609 D N -0.408 120.182 120.400 0.317 0.000 2.123 609 D HA -0.165 4.474 4.640 -0.001 0.000 0.196 609 D C 1.873 178.360 176.300 0.312 0.000 0.992 609 D CA 1.540 55.775 54.000 0.391 0.000 0.833 609 D CB -0.228 40.742 40.800 0.283 0.000 0.954 609 D HN 0.557 nan 8.370 nan 0.000 0.455 610 K N -0.035 120.529 120.400 0.274 0.000 2.025 610 K HA -0.120 4.200 4.320 -0.001 0.000 0.207 610 K C 2.132 178.853 176.600 0.202 0.000 1.049 610 K CA 0.592 57.022 56.287 0.238 0.000 0.933 610 K CB -0.158 32.505 32.500 0.272 0.000 0.714 610 K HN 0.006 nan 8.250 nan 0.000 0.438 611 I N 0.705 121.406 120.570 0.218 0.000 2.439 611 I HA -0.221 3.949 4.170 -0.001 0.000 0.251 611 I C 1.961 178.010 176.117 -0.113 0.000 1.139 611 I CA 1.034 62.429 61.300 0.159 0.000 1.438 611 I CB -0.332 37.828 38.000 0.267 0.000 1.085 611 I HN 0.232 nan 8.210 nan 0.000 0.427 612 Y N 1.027 121.083 120.300 -0.407 0.000 2.165 612 Y HA -0.301 4.248 4.550 -0.001 0.000 0.286 612 Y C 2.737 178.488 175.900 -0.248 0.000 1.155 612 Y CA 2.029 59.699 58.100 -0.716 0.000 1.164 612 Y CB -0.831 37.450 38.460 -0.300 0.000 0.978 612 Y HN 0.358 nan 8.280 nan 0.000 0.513 613 S N -0.014 115.595 115.700 -0.152 0.000 2.382 613 S HA -0.214 4.256 4.470 -0.001 0.000 0.228 613 S C 2.000 176.514 174.600 -0.144 0.000 1.027 613 S CA 1.561 59.662 58.200 -0.165 0.000 0.991 613 S CB -1.098 62.126 63.200 0.040 0.000 0.823 613 S HN 0.573 nan 8.310 nan 0.000 0.469 614 I N 1.554 122.095 120.570 -0.049 0.000 2.179 614 I HA -0.142 4.028 4.170 -0.001 0.000 0.242 614 I C 3.020 179.169 176.117 0.053 0.000 1.088 614 I CA 1.421 62.731 61.300 0.018 0.000 1.357 614 I CB -0.533 37.512 38.000 0.076 0.000 1.051 614 I HN 0.414 nan 8.210 nan 0.000 0.409 615 S N 0.418 116.140 115.700 0.036 0.000 2.382 615 S HA -0.132 4.338 4.470 -0.001 0.000 0.228 615 S C 1.973 176.676 174.600 0.173 0.000 1.027 615 S CA 1.113 59.475 58.200 0.269 0.000 0.991 615 S CB -0.041 63.370 63.200 0.351 0.000 0.823 615 S HN 0.237 nan 8.310 nan 0.000 0.469 616 M N 1.217 120.706 119.600 -0.185 0.000 2.686 616 M HA 0.109 4.588 4.480 -0.001 0.000 0.246 616 M C 1.297 177.509 176.300 -0.147 0.000 1.096 616 M CA 0.714 55.871 55.300 -0.238 0.000 1.076 616 M CB -0.638 31.642 32.600 -0.533 0.000 1.504 616 M HN 0.215 nan 8.290 nan 0.000 0.524 617 K N -0.263 120.041 120.400 -0.161 0.000 2.442 617 K HA -0.072 4.248 4.320 -0.001 0.000 0.198 617 K C -0.008 176.328 176.600 -0.441 0.000 1.042 617 K CA 0.812 56.914 56.287 -0.308 0.000 0.958 617 K CB -0.295 31.964 32.500 -0.402 0.000 0.766 617 K HN 0.511 nan 8.250 nan 0.000 0.474 618 H N -0.033 119.071 119.070 0.057 0.000 2.429 618 H HA 0.127 4.682 4.556 -0.001 0.000 0.237 618 H C -1.784 173.505 175.328 -0.065 0.000 1.378 618 H CA -1.511 54.575 56.048 0.063 0.000 1.170 618 H CB 0.757 30.688 29.762 0.282 0.000 1.671 618 H HN -0.019 nan 8.280 nan 0.000 0.541 619 P HA -0.215 nan 4.420 nan 0.000 0.217 619 P C 1.645 178.896 177.300 -0.082 0.000 1.150 619 P CA 1.065 64.140 63.100 -0.042 0.000 0.832 619 P CB 0.704 32.382 31.700 -0.036 0.000 0.787 620 Q N 0.976 120.731 119.800 -0.075 0.000 2.084 620 Q HA -0.191 4.148 4.340 -0.001 0.000 0.202 620 Q C 2.025 177.898 176.000 -0.210 0.000 0.978 620 Q CA 1.890 57.626 55.803 -0.112 0.000 0.844 620 Q CB -0.753 27.941 28.738 -0.074 0.000 0.898 620 Q HN 0.117 nan 8.270 nan 0.000 0.426 621 E N -0.512 119.530 120.200 -0.264 0.000 2.150 621 E HA -0.097 4.253 4.350 -0.001 0.000 0.193 621 E C 1.876 178.096 176.600 -0.634 0.000 0.985 621 E CA 1.352 57.441 56.400 -0.519 0.000 0.814 621 E CB -0.163 29.034 29.700 -0.839 0.000 0.752 621 E HN 0.453 nan 8.360 nan 0.000 0.466 622 M N 0.179 119.470 119.600 -0.515 0.000 2.213 622 M HA -0.148 4.331 4.480 -0.001 0.000 0.263 622 M C 1.848 178.044 176.300 -0.173 0.000 1.062 622 M CA 1.377 56.496 55.300 -0.302 0.000 1.105 622 M CB -0.179 32.365 32.600 -0.095 0.000 1.385 622 M HN -0.012 nan 8.290 nan 0.000 0.417 623 K N -0.340 119.951 120.400 -0.181 0.000 2.001 623 K HA -0.069 4.251 4.320 -0.001 0.000 0.208 623 K C 2.011 178.479 176.600 -0.219 0.000 1.048 623 K CA 1.730 57.928 56.287 -0.148 0.000 0.932 623 K CB -0.440 31.986 32.500 -0.123 0.000 0.715 623 K HN 0.249 nan 8.250 nan 0.000 0.437 624 T N 0.503 114.839 114.554 -0.363 0.000 2.684 624 T HA -0.158 4.191 4.350 -0.001 0.000 0.267 624 T C 1.184 175.505 174.700 -0.632 0.000 1.036 624 T CA 1.494 63.247 62.100 -0.578 0.000 1.148 624 T CB -0.231 68.098 68.868 -0.898 0.000 0.863 624 T HN 0.206 nan 8.240 nan 0.000 0.436 625 Y N 0.515 120.714 120.300 -0.169 0.000 2.485 625 Y HA 0.490 5.040 4.550 -0.001 0.000 0.260 625 Y C 1.312 177.175 175.900 -0.061 0.000 1.173 625 Y CA -0.769 57.272 58.100 -0.099 0.000 1.252 625 Y CB -0.134 38.275 38.460 -0.086 0.000 1.123 625 Y HN 0.073 nan 8.280 nan 0.000 0.524 626 S N 0.503 116.204 115.700 0.001 0.000 3.711 626 S HA -0.143 4.327 4.470 -0.001 0.000 0.374 626 S C -0.391 174.242 174.600 0.054 0.000 0.969 626 S CA 0.114 58.325 58.200 0.018 0.000 1.198 626 S CB -1.499 61.712 63.200 0.020 0.000 0.903 626 S HN 0.132 nan 8.310 nan 0.000 0.493 627 V N 2.733 122.686 119.914 0.064 0.000 2.372 627 V HA 0.542 4.661 4.120 -0.001 0.000 0.261 627 V C 0.554 176.726 176.094 0.131 0.000 1.055 627 V CA 0.161 62.523 62.300 0.104 0.000 0.930 627 V CB 1.219 33.142 31.823 0.166 0.000 1.031 627 V HN 0.586 nan 8.190 nan 0.000 0.479 628 S N 3.643 119.384 115.700 0.068 0.000 2.482 628 S HA 0.616 5.085 4.470 -0.001 0.000 0.303 628 S C 0.141 174.770 174.600 0.048 0.000 1.091 628 S CA -0.539 57.749 58.200 0.146 0.000 1.057 628 S CB 0.879 64.145 63.200 0.111 0.000 1.031 628 S HN 0.506 nan 8.310 nan 0.000 0.485 629 F N 1.762 121.864 119.950 0.254 0.000 2.732 629 F HA 0.180 4.706 4.527 -0.001 0.000 0.303 629 F C 1.540 177.511 175.800 0.285 0.000 1.110 629 F CA -0.247 57.911 58.000 0.263 0.000 1.355 629 F CB 0.254 39.503 39.000 0.414 0.000 1.081 629 F HN 0.508 nan 8.300 nan 0.000 0.565 630 D N 0.097 120.695 120.400 0.329 0.000 2.149 630 D HA -0.194 4.446 4.640 -0.001 0.000 0.198 630 D C 2.417 178.850 176.300 0.222 0.000 0.990 630 D CA 1.911 56.073 54.000 0.270 0.000 0.839 630 D CB -0.411 40.483 40.800 0.157 0.000 0.948 630 D HN 0.275 nan 8.370 nan 0.000 0.460 631 S N 0.175 115.962 115.700 0.145 0.000 2.383 631 S HA -0.134 4.336 4.470 -0.001 0.000 0.227 631 S C 1.993 176.652 174.600 0.097 0.000 1.026 631 S CA 0.523 58.792 58.200 0.114 0.000 0.981 631 S CB -0.530 62.728 63.200 0.097 0.000 0.818 631 S HN 0.201 nan 8.310 nan 0.000 0.472 632 L N 0.502 121.753 121.223 0.047 0.000 2.056 632 L HA 0.217 4.557 4.340 -0.001 0.000 0.207 632 L C 2.063 178.880 176.870 -0.088 0.000 1.078 632 L CA 1.552 56.343 54.840 -0.082 0.000 0.749 632 L CB -0.951 40.968 42.059 -0.233 0.000 0.901 632 L HN 0.234 nan 8.230 nan 0.000 0.433 633 F N -0.764 119.245 119.950 0.098 0.000 2.171 633 F HA -0.188 4.339 4.527 -0.001 0.000 0.300 633 F C 2.952 178.800 175.800 0.080 0.000 1.090 633 F CA 1.604 59.651 58.000 0.079 0.000 1.293 633 F CB -1.128 37.900 39.000 0.046 0.000 1.013 633 F HN 0.190 nan 8.300 nan 0.000 0.486 634 S N -0.075 115.773 115.700 0.247 0.000 2.368 634 S HA -0.204 4.266 4.470 -0.001 0.000 0.225 634 S C 2.340 177.030 174.600 0.149 0.000 1.030 634 S CA 1.224 59.527 58.200 0.172 0.000 0.999 634 S CB -0.561 62.723 63.200 0.139 0.000 0.844 634 S HN 0.302 nan 8.310 nan 0.000 0.459 635 A N 0.659 123.558 122.820 0.131 0.000 1.902 635 A HA 0.003 4.322 4.320 -0.001 0.000 0.217 635 A C 2.348 180.035 177.584 0.171 0.000 1.181 635 A CA 1.770 53.884 52.037 0.128 0.000 0.623 635 A CB -0.985 18.072 19.000 0.095 0.000 0.818 635 A HN 0.464 nan 8.150 nan 0.000 0.443 636 V N 0.286 120.290 119.914 0.151 0.000 2.358 636 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 636 V C 2.538 178.766 176.094 0.223 0.000 1.047 636 V CA 2.317 64.719 62.300 0.169 0.000 1.035 636 V CB -0.621 31.275 31.823 0.122 0.000 0.658 636 V HN 0.720 nan 8.190 nan 0.000 0.452 637 K N 0.322 120.845 120.400 0.205 0.000 2.057 637 K HA -0.233 4.086 4.320 -0.001 0.000 0.207 637 K C 2.002 178.705 176.600 0.171 0.000 1.049 637 K CA 1.953 58.349 56.287 0.182 0.000 0.931 637 K CB -0.189 32.404 32.500 0.156 0.000 0.714 637 K HN 0.421 nan 8.250 nan 0.000 0.440 638 N N 0.429 119.227 118.700 0.162 0.000 2.120 638 N HA -0.174 4.566 4.740 -0.001 0.000 0.188 638 N C 1.558 177.158 175.510 0.150 0.000 1.024 638 N CA 1.168 54.296 53.050 0.131 0.000 0.852 638 N CB -0.474 38.077 38.487 0.106 0.000 1.003 638 N HN 0.219 nan 8.380 nan 0.000 0.424 639 F N 1.732 121.715 119.950 0.054 0.000 2.134 639 F HA -0.194 4.333 4.527 -0.001 0.000 0.299 639 F C 2.176 178.017 175.800 0.069 0.000 1.097 639 F CA 1.276 59.304 58.000 0.048 0.000 1.264 639 F CB -0.314 38.727 39.000 0.068 0.000 1.001 639 F HN -0.027 nan 8.300 nan 0.000 0.479 640 T N -0.073 114.709 114.554 0.379 0.000 2.746 640 T HA -0.202 4.148 4.350 -0.001 0.000 0.267 640 T C 1.679 176.471 174.700 0.152 0.000 1.039 640 T CA 1.830 64.097 62.100 0.278 0.000 1.142 640 T CB -0.329 68.675 68.868 0.226 0.000 0.866 640 T HN 0.390 nan 8.240 nan 0.000 0.444 641 E N 0.484 120.754 120.200 0.116 0.000 2.072 641 E HA -0.019 4.331 4.350 -0.001 0.000 0.191 641 E C 2.196 178.820 176.600 0.041 0.000 0.985 641 E CA 0.874 57.319 56.400 0.075 0.000 0.801 641 E CB -0.217 29.524 29.700 0.069 0.000 0.750 641 E HN 0.464 nan 8.360 nan 0.000 0.452 642 I N 1.049 121.615 120.570 -0.006 0.000 2.315 642 I HA -0.215 3.954 4.170 -0.001 0.000 0.248 642 I C 2.507 178.592 176.117 -0.054 0.000 1.117 642 I CA 0.753 62.023 61.300 -0.051 0.000 1.404 642 I CB -0.243 37.679 38.000 -0.129 0.000 1.071 642 I HN 0.075 nan 8.210 nan 0.000 0.419 643 A N -0.147 122.598 122.820 -0.125 0.000 1.933 643 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 643 A C 2.491 180.145 177.584 0.117 0.000 1.175 643 A CA 2.106 54.110 52.037 -0.056 0.000 0.628 643 A CB -0.755 18.213 19.000 -0.053 0.000 0.814 643 A HN 0.386 nan 8.150 nan 0.000 0.444 644 S N -0.628 115.131 115.700 0.098 0.000 2.368 644 S HA -0.177 4.293 4.470 -0.001 0.000 0.225 644 S C 2.097 176.755 174.600 0.096 0.000 1.030 644 S CA 1.653 59.916 58.200 0.104 0.000 0.999 644 S CB -0.256 62.996 63.200 0.088 0.000 0.844 644 S HN 0.463 nan 8.310 nan 0.000 0.459 645 K N 0.443 120.895 120.400 0.087 0.000 2.057 645 K HA -0.014 4.305 4.320 -0.001 0.000 0.206 645 K C 1.781 178.433 176.600 0.086 0.000 1.050 645 K CA 1.038 57.367 56.287 0.071 0.000 0.935 645 K CB -0.944 31.590 32.500 0.057 0.000 0.715 645 K HN 0.556 nan 8.250 nan 0.000 0.439 646 F N 1.900 121.838 119.950 -0.020 0.000 2.134 646 F HA -0.218 4.309 4.527 -0.001 0.000 0.299 646 F C 2.594 178.404 175.800 0.018 0.000 1.097 646 F CA 1.507 59.497 58.000 -0.018 0.000 1.264 646 F CB -0.375 38.594 39.000 -0.050 0.000 1.001 646 F HN -0.037 nan 8.300 nan 0.000 0.479 647 S N -0.152 115.626 115.700 0.129 0.000 2.368 647 S HA -0.217 4.252 4.470 -0.001 0.000 0.225 647 S C 1.964 176.547 174.600 -0.028 0.000 1.030 647 S CA 1.674 59.909 58.200 0.058 0.000 0.999 647 S CB -0.414 62.868 63.200 0.136 0.000 0.844 647 S HN 0.593 nan 8.310 nan 0.000 0.459 648 E N 0.446 120.639 120.200 -0.010 0.000 2.058 648 E HA -0.145 4.205 4.350 -0.001 0.000 0.194 648 E C 2.488 179.065 176.600 -0.039 0.000 0.997 648 E CA 1.055 57.449 56.400 -0.011 0.000 0.801 648 E CB -0.157 29.547 29.700 0.006 0.000 0.746 648 E HN 0.454 nan 8.360 nan 0.000 0.450 649 R N 0.297 120.739 120.500 -0.097 0.000 2.096 649 R HA -0.131 4.209 4.340 -0.001 0.000 0.235 649 R C 2.439 178.704 176.300 -0.059 0.000 1.127 649 R CA 0.741 56.781 56.100 -0.099 0.000 0.968 649 R CB -0.351 29.844 30.300 -0.175 0.000 0.861 649 R HN 0.123 nan 8.270 nan 0.000 0.440 650 L N 1.279 122.371 121.223 -0.218 0.000 2.141 650 L HA -0.156 4.184 4.340 -0.001 0.000 0.209 650 L C 2.027 179.003 176.870 0.177 0.000 1.094 650 L CA 1.741 56.543 54.840 -0.064 0.000 0.763 650 L CB -0.151 41.749 42.059 -0.265 0.000 0.908 650 L HN 0.129 nan 8.230 nan 0.000 0.437 651 Q N -1.439 118.388 119.800 0.046 0.000 2.269 651 Q HA -0.097 4.243 4.340 -0.001 0.000 0.201 651 Q C 1.015 176.997 176.000 -0.029 0.000 0.946 651 Q CA 1.095 56.906 55.803 0.012 0.000 0.877 651 Q CB 0.241 28.982 28.738 0.005 0.000 0.963 651 Q HN 0.439 nan 8.270 nan 0.000 0.472 652 D N -0.107 120.298 120.400 0.008 0.000 2.354 652 D HA 0.037 4.676 4.640 -0.001 0.000 0.209 652 D C 0.310 176.614 176.300 0.007 0.000 1.015 652 D CA -0.020 53.975 54.000 -0.008 0.000 0.867 652 D CB 0.205 41.015 40.800 0.016 0.000 0.933 652 D HN 0.134 nan 8.370 nan 0.000 0.520 657 N N 2.992 121.735 118.700 0.071 0.000 2.558 657 N HA 0.418 5.158 4.740 -0.001 0.000 0.233 657 N C -1.934 173.619 175.510 0.072 0.000 1.038 657 N CA -1.857 51.235 53.050 0.070 0.000 0.934 657 N CB 1.357 39.898 38.487 0.089 0.000 1.175 657 N HN 0.047 nan 8.380 nan 0.000 0.512 658 P HA -0.183 nan 4.420 nan 0.000 0.217 658 P C 1.538 178.854 177.300 0.027 0.000 1.158 658 P CA 1.056 64.175 63.100 0.033 0.000 0.887 658 P CB 0.455 32.166 31.700 0.019 0.000 0.792 659 I N -1.578 119.005 120.570 0.022 0.000 2.406 659 I HA -0.116 4.054 4.170 -0.001 0.000 0.249 659 I C 2.198 178.315 176.117 0.000 0.000 1.122 659 I CA 1.202 62.508 61.300 0.010 0.000 1.431 659 I CB -0.939 37.066 38.000 0.008 0.000 1.087 659 I HN -0.145 nan 8.210 nan 0.000 0.424 660 V N 0.966 120.888 119.914 0.013 0.000 2.343 660 V HA -0.256 3.864 4.120 -0.001 0.000 0.247 660 V C 2.507 178.545 176.094 -0.093 0.000 1.051 660 V CA 1.323 63.608 62.300 -0.024 0.000 1.036 660 V CB -0.632 31.214 31.823 0.039 0.000 0.654 660 V HN 0.311 nan 8.190 nan 0.000 0.451 661 L N 0.496 121.728 121.223 0.016 0.000 2.046 661 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 661 L C 2.500 179.348 176.870 -0.036 0.000 1.077 661 L CA 1.974 56.826 54.840 0.021 0.000 0.747 661 L CB -0.801 41.334 42.059 0.126 0.000 0.896 661 L HN 0.206 nan 8.230 nan 0.000 0.432 662 R N -0.507 119.983 120.500 -0.017 0.000 2.105 662 R HA -0.144 4.195 4.340 -0.001 0.000 0.239 662 R C 2.076 178.366 176.300 -0.017 0.000 1.135 662 R CA 2.045 58.136 56.100 -0.016 0.000 0.967 662 R CB -0.460 29.837 30.300 -0.006 0.000 0.861 662 R HN 0.471 nan 8.270 nan 0.000 0.442 663 M N -1.036 118.542 119.600 -0.037 0.000 2.099 663 M HA -0.123 4.357 4.480 -0.001 0.000 0.262 663 M C 2.284 178.581 176.300 -0.005 0.000 1.067 663 M CA 1.835 57.123 55.300 -0.019 0.000 1.124 663 M CB -0.287 32.290 32.600 -0.038 0.000 1.353 663 M HN 0.133 nan 8.290 nan 0.000 0.410 664 M N -0.171 119.371 119.600 -0.097 0.000 2.200 664 M HA -0.141 4.338 4.480 -0.001 0.000 0.265 664 M C 1.683 178.042 176.300 0.099 0.000 1.066 664 M CA 1.154 56.441 55.300 -0.021 0.000 1.127 664 M CB -0.647 31.755 32.600 -0.331 0.000 1.379 664 M HN 0.264 nan 8.290 nan 0.000 0.420 665 N N 0.828 119.539 118.700 0.018 0.000 2.166 665 N HA -0.144 4.595 4.740 -0.001 0.000 0.186 665 N C 1.164 176.689 175.510 0.024 0.000 1.019 665 N CA 1.313 54.379 53.050 0.027 0.000 0.856 665 N CB -0.404 38.071 38.487 -0.020 0.000 0.993 665 N HN 0.287 nan 8.380 nan 0.000 0.426 666 D N 0.873 121.291 120.400 0.030 0.000 2.144 666 D HA -0.091 4.548 4.640 -0.001 0.000 0.200 666 D C 1.925 178.313 176.300 0.146 0.000 0.978 666 D CA 0.751 54.780 54.000 0.049 0.000 0.833 666 D CB -0.165 40.735 40.800 0.166 0.000 0.961 666 D HN 0.383 nan 8.370 nan 0.000 0.470 667 Q N -0.067 119.818 119.800 0.142 0.000 2.084 667 Q HA -0.075 4.264 4.340 -0.001 0.000 0.202 667 Q C 2.434 178.440 176.000 0.010 0.000 0.978 667 Q CA 0.694 56.539 55.803 0.070 0.000 0.844 667 Q CB -0.059 28.706 28.738 0.044 0.000 0.898 667 Q HN 0.318 nan 8.270 nan 0.000 0.426 668 L N 0.022 121.311 121.223 0.111 0.000 2.046 668 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 668 L C 2.558 179.589 176.870 0.267 0.000 1.077 668 L CA 1.042 56.008 54.840 0.211 0.000 0.747 668 L CB -0.304 41.947 42.059 0.319 0.000 0.896 668 L HN 0.372 nan 8.230 nan 0.000 0.432 669 M N -0.971 118.705 119.600 0.127 0.000 2.200 669 M HA -0.175 4.305 4.480 -0.001 0.000 0.265 669 M C 1.633 177.884 176.300 -0.082 0.000 1.066 669 M CA 1.800 57.117 55.300 0.028 0.000 1.127 669 M CB 0.058 32.488 32.600 -0.283 0.000 1.379 669 M HN 0.053 nan 8.290 nan 0.000 0.420 670 F N -0.016 119.964 119.950 0.049 0.000 2.811 670 F HA 0.028 4.554 4.527 -0.001 0.000 0.301 670 F C 1.621 177.367 175.800 -0.090 0.000 1.151 670 F CA 0.143 58.131 58.000 -0.020 0.000 1.412 670 F CB -0.569 38.399 39.000 -0.053 0.000 1.113 670 F HN 0.181 nan 8.300 nan 0.000 0.579 671 L N 0.487 121.745 121.223 0.058 0.000 2.027 671 L HA -0.141 4.198 4.340 -0.001 0.000 0.206 671 L C 2.367 179.193 176.870 -0.074 0.000 1.074 671 L CA 1.902 56.695 54.840 -0.078 0.000 0.745 671 L CB -0.795 41.233 42.059 -0.052 0.000 0.898 671 L HN 0.044 nan 8.230 nan 0.000 0.433 672 E N -0.331 119.934 120.200 0.109 0.000 2.118 672 E HA -0.282 4.067 4.350 -0.001 0.000 0.195 672 E C 2.341 179.016 176.600 0.124 0.000 0.992 672 E CA 1.185 57.749 56.400 0.273 0.000 0.804 672 E CB -0.151 29.731 29.700 0.304 0.000 0.741 672 E HN 0.293 nan 8.360 nan 0.000 0.458 673 R N -0.335 120.218 120.500 0.088 0.000 2.120 673 R HA 0.011 4.350 4.340 -0.001 0.000 0.234 673 R C 1.956 178.199 176.300 -0.094 0.000 1.123 673 R CA 1.308 57.452 56.100 0.074 0.000 0.975 673 R CB -0.505 29.953 30.300 0.262 0.000 0.866 673 R HN 0.235 nan 8.270 nan 0.000 0.446 674 A N -0.967 121.705 122.820 -0.247 0.000 2.119 674 A HA -0.053 4.267 4.320 -0.001 0.000 0.217 674 A C 1.291 178.548 177.584 -0.544 0.000 1.153 674 A CA 0.760 52.548 52.037 -0.415 0.000 0.692 674 A CB -0.474 18.204 19.000 -0.537 0.000 0.799 674 A HN 0.319 nan 8.150 nan 0.000 0.458 675 F N 0.033 119.777 119.950 -0.343 0.000 2.811 675 F HA 0.204 4.730 4.527 -0.001 0.000 0.301 675 F C 0.626 176.124 175.800 -0.504 0.000 1.151 675 F CA -0.497 57.195 58.000 -0.514 0.000 1.412 675 F CB -0.065 38.416 39.000 -0.866 0.000 1.113 675 F HN 0.028 nan 8.300 nan 0.000 0.579 676 I N 0.965 121.404 120.570 -0.219 0.000 2.474 676 I HA 0.035 4.204 4.170 -0.001 0.000 0.287 676 I C 0.048 176.118 176.117 -0.077 0.000 1.048 676 I CA -0.139 61.083 61.300 -0.130 0.000 1.383 676 I CB 0.433 38.391 38.000 -0.071 0.000 1.412 676 I HN -0.062 nan 8.210 nan 0.000 0.531 677 D N 8.926 129.304 120.400 -0.036 0.000 2.349 677 D HA 0.302 4.942 4.640 -0.001 0.000 0.232 677 D C -1.803 174.487 176.300 -0.018 0.000 1.071 677 D CA -2.035 51.959 54.000 -0.011 0.000 0.832 677 D CB 2.381 43.186 40.800 0.008 0.000 1.086 677 D HN 0.186 nan 8.370 nan 0.000 0.504 678 P HA -0.034 nan 4.420 nan 0.000 0.226 678 P C 1.408 178.678 177.300 -0.049 0.000 1.153 678 P CA 0.514 63.595 63.100 -0.032 0.000 0.777 678 P CB 0.464 32.147 31.700 -0.029 0.000 0.794 679 L N -1.820 119.376 121.223 -0.045 0.000 2.558 679 L HA 0.223 4.563 4.340 -0.001 0.000 0.225 679 L C 1.294 178.118 176.870 -0.077 0.000 1.128 679 L CA 0.377 55.179 54.840 -0.063 0.000 0.868 679 L CB -1.034 40.994 42.059 -0.052 0.000 1.006 679 L HN 0.091 nan 8.230 nan 0.000 0.454 680 G N 0.533 109.298 108.800 -0.058 0.000 2.828 680 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.463 680 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.463 680 G C -0.606 174.283 174.900 -0.020 0.000 1.394 680 G CA -0.732 44.336 45.100 -0.053 0.000 0.862 680 G HN 0.031 nan 8.290 nan 0.000 0.540 681 L N 0.979 122.209 121.223 0.011 0.000 2.416 681 L HA 0.448 4.788 4.340 -0.001 0.000 0.262 681 L C -1.705 175.164 176.870 -0.003 0.000 1.093 681 L CA -1.950 52.908 54.840 0.031 0.000 0.801 681 L CB 1.267 43.379 42.059 0.088 0.000 1.191 681 L HN 0.346 nan 8.230 nan 0.000 0.459 682 P HA -0.023 nan 4.420 nan 0.000 0.258 682 P C -0.615 176.668 177.300 -0.029 0.000 1.187 682 P CA 0.470 63.561 63.100 -0.015 0.000 0.767 682 P CB 0.168 31.867 31.700 -0.001 0.000 0.770 683 D N 1.578 121.943 120.400 -0.058 0.000 3.077 683 D HA -0.207 4.433 4.640 -0.001 0.000 0.217 683 D C -0.073 176.166 176.300 -0.101 0.000 1.162 683 D CA 1.097 55.052 54.000 -0.074 0.000 0.943 683 D CB -0.831 39.938 40.800 -0.051 0.000 1.122 683 D HN 0.579 nan 8.370 nan 0.000 0.413 684 R N -0.086 120.347 120.500 -0.112 0.000 2.644 684 R HA 0.185 4.525 4.340 -0.001 0.000 0.271 684 R C -1.914 174.244 176.300 -0.237 0.000 1.687 684 R CA -1.189 54.808 56.100 -0.171 0.000 1.655 684 R CB 1.404 31.671 30.300 -0.055 0.000 1.285 684 R HN -0.025 nan 8.270 nan 0.000 0.643 685 P HA -0.102 nan 4.420 nan 0.000 0.222 685 P C 0.488 177.439 177.300 -0.582 0.000 1.147 685 P CA 1.059 63.850 63.100 -0.515 0.000 0.790 685 P CB 0.160 31.398 31.700 -0.771 0.000 0.780 686 F N -2.529 117.291 119.950 -0.217 0.000 2.765 686 F HA 0.155 4.681 4.527 -0.001 0.000 0.302 686 F C 0.646 176.392 175.800 -0.089 0.000 1.111 686 F CA -0.248 57.628 58.000 -0.208 0.000 1.359 686 F CB -0.652 38.173 39.000 -0.291 0.000 1.097 686 F HN -0.184 nan 8.300 nan 0.000 0.577 687 Y N 0.703 121.031 120.300 0.047 0.000 2.595 687 Y HA 0.412 4.962 4.550 -0.001 0.000 0.336 687 Y C 1.122 177.032 175.900 0.016 0.000 0.996 687 Y CA -1.398 56.723 58.100 0.036 0.000 1.260 687 Y CB 0.323 38.795 38.460 0.020 0.000 1.108 687 Y HN 0.011 nan 8.280 nan 0.000 0.509 688 R N -0.315 120.299 120.500 0.190 0.000 2.335 688 R HA 0.054 4.393 4.340 -0.001 0.000 0.210 688 R C 0.248 176.596 176.300 0.079 0.000 0.892 688 R CA -0.132 56.023 56.100 0.091 0.000 1.048 688 R CB 0.464 30.795 30.300 0.051 0.000 1.067 688 R HN 0.426 nan 8.270 nan 0.000 0.524 689 H N 0.780 119.850 119.070 -0.001 0.000 2.722 689 H HA 0.063 4.618 4.556 -0.001 0.000 0.328 689 H C 0.920 176.226 175.328 -0.037 0.000 1.067 689 H CA 0.229 56.246 56.048 -0.052 0.000 1.447 689 H CB 1.430 31.081 29.762 -0.184 0.000 1.469 689 H HN -0.176 nan 8.280 nan 0.000 0.544 690 V N 6.256 126.200 119.914 0.049 0.000 3.052 690 V HA -0.136 3.984 4.120 -0.001 0.000 0.254 690 V C 2.039 178.152 176.094 0.032 0.000 1.100 690 V CA 0.597 62.946 62.300 0.081 0.000 1.112 690 V CB -0.151 31.724 31.823 0.086 0.000 0.738 690 V HN 0.660 nan 8.190 nan 0.000 0.469 691 I N -1.326 119.234 120.570 -0.016 0.000 2.585 691 I HA 0.090 4.260 4.170 -0.001 0.000 0.254 691 I C 0.373 176.093 176.117 -0.661 0.000 1.129 691 I CA 0.996 61.957 61.300 -0.566 0.000 1.455 691 I CB -0.502 36.963 38.000 -0.891 0.000 1.111 691 I HN 0.222 nan 8.210 nan 0.000 0.433 692 Y N 0.605 120.785 120.300 -0.200 0.000 2.361 692 Y HA 0.717 5.266 4.550 -0.001 0.000 0.337 692 Y C 0.067 175.827 175.900 -0.234 0.000 0.965 692 Y CA -1.260 56.659 58.100 -0.302 0.000 1.091 692 Y CB 1.662 39.911 38.460 -0.353 0.000 1.182 692 Y HN -0.004 nan 8.280 nan 0.000 0.450 693 A N 4.127 126.914 122.820 -0.056 0.000 2.527 693 A HA 0.895 5.214 4.320 -0.001 0.000 0.293 693 A C -3.123 174.303 177.584 -0.264 0.000 1.117 693 A CA -2.293 49.613 52.037 -0.219 0.000 0.723 693 A CB 1.628 20.509 19.000 -0.198 0.000 1.313 693 A HN 0.425 nan 8.150 nan 0.000 0.411 694 P HA 0.139 nan 4.420 nan 0.000 0.268 694 P C 0.056 177.226 177.300 -0.217 0.000 1.205 694 P CA 0.167 63.085 63.100 -0.304 0.000 0.771 694 P CB 0.720 32.183 31.700 -0.394 0.000 0.858 695 S N 2.038 117.649 115.700 -0.150 0.000 2.546 695 S HA -0.005 4.464 4.470 -0.001 0.000 0.290 695 S C 1.508 176.031 174.600 -0.129 0.000 1.290 695 S CA 0.267 58.386 58.200 -0.136 0.000 1.069 695 S CB -0.229 62.913 63.200 -0.098 0.000 0.846 695 S HN 0.503 nan 8.310 nan 0.000 0.495 696 S N 3.826 119.419 115.700 -0.178 0.000 2.500 696 S HA -0.085 4.384 4.470 -0.001 0.000 0.239 696 S C 1.107 175.399 174.600 -0.513 0.000 0.989 696 S CA 0.782 58.798 58.200 -0.306 0.000 0.951 696 S CB -0.486 62.502 63.200 -0.354 0.000 0.759 696 S HN 0.906 nan 8.310 nan 0.000 0.523 697 H N 0.658 119.651 119.070 -0.128 0.000 2.622 697 H HA 0.362 4.917 4.556 -0.001 0.000 0.269 697 H C 0.061 175.356 175.328 -0.055 0.000 0.977 697 H CA 0.137 56.114 56.048 -0.118 0.000 1.179 697 H CB 0.247 29.899 29.762 -0.183 0.000 1.458 697 H HN 0.481 nan 8.280 nan 0.000 0.531 698 N N 0.689 119.403 118.700 0.022 0.000 3.049 698 N HA -0.022 4.717 4.740 -0.001 0.000 0.241 698 N C 0.412 175.902 175.510 -0.033 0.000 1.323 698 N CA -0.209 52.860 53.050 0.032 0.000 0.824 698 N CB 0.992 39.514 38.487 0.059 0.000 1.557 698 N HN -0.102 nan 8.380 nan 0.000 0.612 699 K N 1.707 122.043 120.400 -0.106 0.000 2.218 699 K HA -0.151 4.168 4.320 -0.001 0.000 0.205 699 K C 0.449 176.927 176.600 -0.203 0.000 1.046 699 K CA 1.543 57.676 56.287 -0.256 0.000 0.933 699 K CB 0.020 32.165 32.500 -0.593 0.000 0.728 699 K HN 0.486 nan 8.250 nan 0.000 0.454 700 Y N -0.008 120.267 120.300 -0.042 0.000 2.373 700 Y HA 0.085 4.635 4.550 -0.001 0.000 0.293 700 Y C 1.081 176.979 175.900 -0.004 0.000 1.129 700 Y CA 0.320 58.408 58.100 -0.021 0.000 1.226 700 Y CB -0.392 38.085 38.460 0.028 0.000 1.000 700 Y HN 0.017 nan 8.280 nan 0.000 0.549 701 A N 0.236 123.134 122.820 0.129 0.000 2.316 701 A HA 0.622 4.941 4.320 -0.001 0.000 0.284 701 A C 0.802 178.377 177.584 -0.015 0.000 1.115 701 A CA 0.026 52.096 52.037 0.056 0.000 0.812 701 A CB 0.005 19.023 19.000 0.029 0.000 1.064 701 A HN 0.291 nan 8.150 nan 0.000 0.489 702 G N 0.186 108.966 108.800 -0.035 0.000 2.400 702 G HA2 0.513 4.473 3.960 -0.001 0.000 0.301 702 G HA3 0.513 4.473 3.960 -0.001 0.000 0.301 702 G C -0.600 174.232 174.900 -0.113 0.000 1.154 702 G CA -0.162 44.895 45.100 -0.071 0.000 0.852 702 G HN 0.712 nan 8.290 nan 0.000 0.511 703 E N -0.055 120.059 120.200 -0.143 0.000 2.238 703 E HA 0.533 4.882 4.350 -0.001 0.000 0.267 703 E C -0.002 176.462 176.600 -0.227 0.000 0.887 703 E CA -0.638 55.621 56.400 -0.236 0.000 0.769 703 E CB 1.555 31.064 29.700 -0.319 0.000 1.187 703 E HN 0.510 nan 8.360 nan 0.000 0.416 704 S N 2.565 118.049 115.700 -0.360 0.000 2.578 704 S HA 0.476 4.946 4.470 -0.001 0.000 0.283 704 S C -0.306 174.128 174.600 -0.277 0.000 1.195 704 S CA -0.615 57.203 58.200 -0.637 0.000 1.050 704 S CB 0.152 62.540 63.200 -1.353 0.000 1.012 704 S HN 0.535 nan 8.310 nan 0.000 0.511 705 F N 0.330 120.156 119.950 -0.207 0.000 2.829 705 F HA -0.097 4.430 4.527 -0.001 0.000 0.237 705 F C -1.290 174.537 175.800 0.044 0.000 1.017 705 F CA 0.290 58.267 58.000 -0.038 0.000 0.882 705 F CB -1.885 37.142 39.000 0.045 0.000 0.795 705 F HN 0.549 nan 8.300 nan 0.000 0.848 706 P HA -0.157 nan 4.420 nan 0.000 0.218 706 P C 1.852 179.270 177.300 0.197 0.000 1.148 706 P CA 2.000 65.180 63.100 0.134 0.000 0.822 706 P CB 0.041 31.762 31.700 0.034 0.000 0.784 707 G N 0.435 109.340 108.800 0.175 0.000 2.402 707 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.216 707 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.216 707 G C 1.659 176.648 174.900 0.150 0.000 1.162 707 G CA 0.497 45.681 45.100 0.140 0.000 0.777 707 G HN 0.248 nan 8.290 nan 0.000 0.539 708 I N -0.950 119.735 120.570 0.191 0.000 2.353 708 I HA -0.084 4.085 4.170 -0.001 0.000 0.248 708 I C 2.420 178.655 176.117 0.196 0.000 1.119 708 I CA 0.827 62.228 61.300 0.169 0.000 1.417 708 I CB -0.334 37.783 38.000 0.197 0.000 1.078 708 I HN 0.197 nan 8.210 nan 0.000 0.421 709 Y N 2.227 122.624 120.300 0.161 0.000 2.097 709 Y HA -0.346 4.204 4.550 -0.001 0.000 0.282 709 Y C 2.235 178.240 175.900 0.175 0.000 1.152 709 Y CA 2.020 60.222 58.100 0.169 0.000 1.136 709 Y CB -0.170 38.380 38.460 0.151 0.000 0.975 709 Y HN 0.164 nan 8.280 nan 0.000 0.498 710 D N -0.118 120.486 120.400 0.341 0.000 2.178 710 D HA -0.127 4.512 4.640 -0.001 0.000 0.202 710 D C 2.214 178.579 176.300 0.108 0.000 0.974 710 D CA 1.242 55.392 54.000 0.251 0.000 0.841 710 D CB -0.506 40.407 40.800 0.189 0.000 0.953 710 D HN 0.497 nan 8.370 nan 0.000 0.478 711 A N 0.321 123.164 122.820 0.038 0.000 1.972 711 A HA -0.087 4.233 4.320 -0.001 0.000 0.219 711 A C 2.250 179.714 177.584 -0.200 0.000 1.169 711 A CA 0.815 52.809 52.037 -0.071 0.000 0.635 711 A CB -0.537 18.418 19.000 -0.076 0.000 0.810 711 A HN 0.225 nan 8.150 nan 0.000 0.446 712 L N -2.086 119.026 121.223 -0.185 0.000 2.375 712 L HA 0.155 4.495 4.340 -0.001 0.000 0.215 712 L C 0.762 177.480 176.870 -0.254 0.000 1.108 712 L CA -0.392 54.264 54.840 -0.306 0.000 0.830 712 L CB -0.148 41.794 42.059 -0.194 0.000 0.959 712 L HN 0.423 nan 8.230 nan 0.000 0.457 713 F N 1.841 121.621 119.950 -0.283 0.000 2.578 713 F HA -0.024 4.503 4.527 -0.001 0.000 0.381 713 F C 1.136 176.898 175.800 -0.064 0.000 1.069 713 F CA 0.022 57.906 58.000 -0.193 0.000 1.231 713 F CB 0.037 39.013 39.000 -0.040 0.000 1.086 713 F HN 0.096 nan 8.300 nan 0.000 0.564 714 D N 4.308 124.242 120.400 -0.776 0.000 2.911 714 D HA -0.315 4.325 4.640 -0.001 0.000 0.227 714 D C 1.114 177.261 176.300 -0.256 0.000 1.164 714 D CA 1.228 54.932 54.000 -0.493 0.000 0.782 714 D CB -1.455 39.154 40.800 -0.318 0.000 1.094 714 D HN 0.716 nan 8.370 nan 0.000 0.425 715 I N 0.367 120.761 120.570 -0.293 0.000 2.493 715 I HA -0.223 3.946 4.170 -0.001 0.000 0.254 715 I C 2.223 178.212 176.117 -0.214 0.000 1.160 715 I CA 1.550 62.647 61.300 -0.340 0.000 1.445 715 I CB -0.047 37.556 38.000 -0.661 0.000 1.086 715 I HN 0.254 nan 8.210 nan 0.000 0.433 716 E N 0.486 120.610 120.200 -0.127 0.000 2.409 716 E HA -0.204 4.145 4.350 -0.001 0.000 0.198 716 E C 1.725 178.302 176.600 -0.038 0.000 1.024 716 E CA 1.325 57.723 56.400 -0.003 0.000 0.861 716 E CB -0.422 29.329 29.700 0.086 0.000 0.788 716 E HN 0.585 nan 8.360 nan 0.000 0.521 717 S N -0.213 115.431 115.700 -0.094 0.000 2.535 717 S HA 0.098 4.568 4.470 -0.001 0.000 0.214 717 S C 0.711 175.277 174.600 -0.056 0.000 0.980 717 S CA -0.538 57.608 58.200 -0.090 0.000 0.907 717 S CB 0.127 63.236 63.200 -0.150 0.000 0.790 717 S HN -0.084 nan 8.310 nan 0.000 0.510 718 K N 1.423 121.787 120.400 -0.060 0.000 2.326 718 K HA 0.280 4.599 4.320 -0.001 0.000 0.275 718 K C 0.999 177.587 176.600 -0.020 0.000 1.018 718 K CA -0.180 56.079 56.287 -0.048 0.000 0.962 718 K CB 1.284 33.731 32.500 -0.088 0.000 0.953 718 K HN 0.013 nan 8.250 nan 0.000 0.475 719 V N 0.791 120.697 119.914 -0.013 0.000 2.719 719 V HA -0.136 3.983 4.120 -0.001 0.000 0.252 719 V C 0.486 176.586 176.094 0.010 0.000 1.065 719 V CA 1.438 63.739 62.300 0.002 0.000 1.086 719 V CB -0.161 31.663 31.823 0.002 0.000 0.700 719 V HN 0.697 nan 8.190 nan 0.000 0.467 720 D N -0.587 119.811 120.400 -0.003 0.000 2.458 720 D HA 0.219 4.858 4.640 -0.001 0.000 0.258 720 D C -1.615 174.675 176.300 -0.017 0.000 1.134 720 D CA -2.141 51.859 54.000 0.000 0.000 0.915 720 D CB 1.621 42.414 40.800 -0.011 0.000 1.028 720 D HN 0.152 nan 8.370 nan 0.000 0.508 721 P HA -0.137 nan 4.420 nan 0.000 0.218 721 P C 1.503 178.707 177.300 -0.162 0.000 1.149 721 P CA 0.592 63.727 63.100 0.060 0.000 0.817 721 P CB 0.418 32.267 31.700 0.248 0.000 0.785 722 S N -0.278 115.304 115.700 -0.196 0.000 2.359 722 S HA -0.189 4.281 4.470 -0.001 0.000 0.224 722 S C 2.088 176.543 174.600 -0.241 0.000 1.035 722 S CA 1.527 59.501 58.200 -0.377 0.000 1.018 722 S CB -0.657 62.533 63.200 -0.016 0.000 0.876 722 S HN 0.083 nan 8.310 nan 0.000 0.448 723 K N 0.402 120.727 120.400 -0.125 0.000 2.026 723 K HA -0.059 4.261 4.320 -0.001 0.000 0.208 723 K C 2.207 178.728 176.600 -0.133 0.000 1.048 723 K CA 1.264 57.493 56.287 -0.097 0.000 0.929 723 K CB -0.500 31.962 32.500 -0.064 0.000 0.713 723 K HN 0.389 nan 8.250 nan 0.000 0.439 724 A N 0.225 122.938 122.820 -0.178 0.000 1.877 724 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 724 A C 1.839 179.200 177.584 -0.371 0.000 1.186 724 A CA 1.382 53.251 52.037 -0.280 0.000 0.620 724 A CB -0.994 17.793 19.000 -0.355 0.000 0.822 724 A HN 0.569 nan 8.150 nan 0.000 0.443 725 W N -0.156 120.964 121.300 -0.300 0.000 2.467 725 W HA 0.108 4.767 4.660 -0.001 0.000 0.275 725 W C 2.451 178.857 176.519 -0.188 0.000 1.239 725 W CA 0.765 57.952 57.345 -0.264 0.000 1.266 725 W CB -0.373 28.839 29.460 -0.413 0.000 1.112 725 W HN 0.392 nan 8.180 nan 0.000 0.576 726 G N 0.285 109.070 108.800 -0.024 0.000 2.440 726 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.218 726 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.218 726 G C 1.282 176.172 174.900 -0.017 0.000 1.154 726 G CA 1.525 46.617 45.100 -0.012 0.000 0.767 726 G HN 0.266 nan 8.290 nan 0.000 0.552 727 E N 0.152 120.317 120.200 -0.058 0.000 2.152 727 E HA -0.034 4.315 4.350 -0.001 0.000 0.192 727 E C 2.577 179.146 176.600 -0.052 0.000 0.983 727 E CA 0.664 57.032 56.400 -0.052 0.000 0.818 727 E CB -0.274 29.381 29.700 -0.074 0.000 0.758 727 E HN 0.194 nan 8.360 nan 0.000 0.467 728 V N 1.092 120.951 119.914 -0.092 0.000 2.287 728 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 728 V C 2.259 178.344 176.094 -0.015 0.000 1.053 728 V CA 2.265 64.528 62.300 -0.061 0.000 1.027 728 V CB -0.474 31.302 31.823 -0.079 0.000 0.646 728 V HN 0.262 nan 8.190 nan 0.000 0.447 729 K N -0.397 120.016 120.400 0.023 0.000 2.057 729 K HA -0.206 4.114 4.320 -0.001 0.000 0.207 729 K C 2.422 179.036 176.600 0.023 0.000 1.049 729 K CA 1.546 57.832 56.287 -0.001 0.000 0.931 729 K CB -0.253 32.263 32.500 0.025 0.000 0.714 729 K HN 0.302 nan 8.250 nan 0.000 0.440 730 R N 0.823 121.350 120.500 0.045 0.000 2.091 730 R HA -0.155 4.184 4.340 -0.001 0.000 0.238 730 R C 2.165 178.535 176.300 0.116 0.000 1.136 730 R CA 1.433 57.602 56.100 0.115 0.000 0.959 730 R CB 0.107 30.454 30.300 0.079 0.000 0.856 730 R HN 0.180 nan 8.270 nan 0.000 0.437 731 Q N 0.172 120.000 119.800 0.047 0.000 2.172 731 Q HA -0.097 4.243 4.340 -0.001 0.000 0.200 731 Q C 2.187 178.194 176.000 0.011 0.000 0.964 731 Q CA 1.072 56.896 55.803 0.036 0.000 0.855 731 Q CB -0.023 28.737 28.738 0.037 0.000 0.918 731 Q HN 0.471 nan 8.270 nan 0.000 0.444 732 I N 0.152 120.696 120.570 -0.043 0.000 2.226 732 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 732 I C 2.350 178.472 176.117 0.009 0.000 1.100 732 I CA 1.252 62.476 61.300 -0.126 0.000 1.374 732 I CB -0.428 37.375 38.000 -0.328 0.000 1.057 732 I HN 0.120 nan 8.210 nan 0.000 0.413 733 Y N 1.612 121.875 120.300 -0.063 0.000 2.128 733 Y HA -0.228 4.322 4.550 -0.001 0.000 0.284 733 Y C 2.381 178.322 175.900 0.068 0.000 1.154 733 Y CA 1.474 59.572 58.100 -0.003 0.000 1.149 733 Y CB -0.834 37.616 38.460 -0.015 0.000 0.976 733 Y HN -0.105 nan 8.280 nan 0.000 0.505 734 V N 0.804 120.677 119.914 -0.069 0.000 2.343 734 V HA -0.315 3.805 4.120 -0.001 0.000 0.247 734 V C 2.745 178.858 176.094 0.032 0.000 1.051 734 V CA 1.903 64.126 62.300 -0.127 0.000 1.036 734 V CB -1.646 30.140 31.823 -0.061 0.000 0.654 734 V HN 0.582 nan 8.190 nan 0.000 0.451 735 A N -0.157 122.687 122.820 0.039 0.000 1.898 735 A HA -0.028 4.292 4.320 -0.001 0.000 0.216 735 A C 2.424 180.036 177.584 0.047 0.000 1.181 735 A CA 1.840 53.918 52.037 0.069 0.000 0.620 735 A CB -0.745 18.223 19.000 -0.054 0.000 0.819 735 A HN 0.547 nan 8.150 nan 0.000 0.442 736 A N -0.910 121.921 122.820 0.020 0.000 1.902 736 A HA -0.043 4.277 4.320 -0.001 0.000 0.217 736 A C 2.042 179.677 177.584 0.084 0.000 1.181 736 A CA 1.672 53.739 52.037 0.050 0.000 0.623 736 A CB -0.745 18.305 19.000 0.083 0.000 0.818 736 A HN 0.775 nan 8.150 nan 0.000 0.443 737 F N 1.560 121.497 119.950 -0.022 0.000 2.102 737 F HA -0.136 4.390 4.527 -0.001 0.000 0.298 737 F C 2.309 178.086 175.800 -0.039 0.000 1.105 737 F CA 2.322 60.291 58.000 -0.052 0.000 1.239 737 F CB -0.871 38.008 39.000 -0.201 0.000 0.991 737 F HN 0.187 nan 8.300 nan 0.000 0.474 738 T N 0.324 114.665 114.554 -0.355 0.000 2.777 738 T HA -0.119 4.231 4.350 -0.001 0.000 0.266 738 T C 2.219 176.764 174.700 -0.258 0.000 1.040 738 T CA 1.503 63.345 62.100 -0.430 0.000 1.141 738 T CB -0.661 68.154 68.868 -0.089 0.000 0.868 738 T HN 0.155 nan 8.240 nan 0.000 0.444 739 V N 1.585 121.483 119.914 -0.028 0.000 2.343 739 V HA -0.201 3.919 4.120 -0.001 0.000 0.247 739 V C 2.666 178.792 176.094 0.054 0.000 1.051 739 V CA 1.847 64.210 62.300 0.104 0.000 1.036 739 V CB -0.675 31.238 31.823 0.150 0.000 0.654 739 V HN 0.378 nan 8.190 nan 0.000 0.451 740 Q N 0.527 120.301 119.800 -0.043 0.000 2.124 740 Q HA -0.126 4.214 4.340 -0.001 0.000 0.202 740 Q C 2.091 177.988 176.000 -0.173 0.000 0.977 740 Q CA 2.157 57.933 55.803 -0.046 0.000 0.850 740 Q CB -0.533 28.197 28.738 -0.013 0.000 0.901 740 Q HN 0.593 nan 8.270 nan 0.000 0.429 741 A N 0.152 122.729 122.820 -0.404 0.000 1.930 741 A HA 0.013 4.333 4.320 -0.001 0.000 0.217 741 A C 2.274 179.644 177.584 -0.356 0.000 1.175 741 A CA 1.657 53.426 52.037 -0.448 0.000 0.627 741 A CB -1.093 17.422 19.000 -0.808 0.000 0.815 741 A HN 0.519 nan 8.150 nan 0.000 0.443 742 A N -0.018 122.569 122.820 -0.388 0.000 1.898 742 A HA 0.179 4.499 4.320 -0.001 0.000 0.216 742 A C 2.514 179.917 177.584 -0.302 0.000 1.181 742 A CA 2.009 53.770 52.037 -0.460 0.000 0.620 742 A CB -1.068 17.416 19.000 -0.860 0.000 0.819 742 A HN 1.056 nan 8.150 nan 0.000 0.442 743 A N 0.020 122.755 122.820 -0.142 0.000 1.917 743 A HA -0.229 4.090 4.320 -0.001 0.000 0.219 743 A C 1.867 179.274 177.584 -0.295 0.000 1.182 743 A CA 1.770 53.598 52.037 -0.349 0.000 0.633 743 A CB -0.624 18.303 19.000 -0.121 0.000 0.819 743 A HN 0.651 nan 8.150 nan 0.000 0.448 744 E N -0.624 119.456 120.200 -0.200 0.000 2.338 744 E HA -0.123 4.227 4.350 -0.001 0.000 0.197 744 E C 2.003 178.501 176.600 -0.171 0.000 1.007 744 E CA 1.251 57.559 56.400 -0.154 0.000 0.849 744 E CB -0.329 29.305 29.700 -0.109 0.000 0.774 744 E HN 0.885 nan 8.360 nan 0.000 0.506 745 T N -1.115 113.303 114.554 -0.226 0.000 3.007 745 T HA -0.046 4.304 4.350 -0.001 0.000 0.270 745 T C 1.706 176.268 174.700 -0.230 0.000 1.107 745 T CA 0.562 62.536 62.100 -0.210 0.000 1.118 745 T CB -0.090 68.642 68.868 -0.226 0.000 0.889 745 T HN 0.103 nan 8.240 nan 0.000 0.506 746 L N 0.810 121.847 121.223 -0.310 0.000 2.585 746 L HA 0.271 4.610 4.340 -0.001 0.000 0.226 746 L C 1.205 178.025 176.870 -0.083 0.000 1.113 746 L CA -0.364 54.252 54.840 -0.375 0.000 0.876 746 L CB -0.155 41.547 42.059 -0.595 0.000 1.072 746 L HN 0.146 nan 8.230 nan 0.000 0.468 747 S N 0.274 115.926 115.700 -0.080 0.000 2.580 747 S HA 0.025 4.495 4.470 -0.001 0.000 0.266 747 S C 0.339 174.957 174.600 0.029 0.000 1.354 747 S CA -0.408 57.785 58.200 -0.011 0.000 1.008 747 S CB 0.368 63.547 63.200 -0.035 0.000 0.898 747 S HN 0.203 nan 8.310 nan 0.000 0.555 748 E N 0.730 120.951 120.200 0.035 0.000 2.481 748 E HA -0.031 4.319 4.350 -0.001 0.000 0.263 748 E C 1.225 177.830 176.600 0.009 0.000 0.992 748 E CA -0.033 56.384 56.400 0.028 0.000 0.938 748 E CB 0.376 30.086 29.700 0.017 0.000 0.933 748 E HN 0.524 nan 8.360 nan 0.000 0.453 749 V N -0.057 119.862 119.914 0.007 0.000 3.041 749 V HA 0.275 4.394 4.120 -0.001 0.000 0.260 749 V C 0.560 176.648 176.094 -0.010 0.000 1.105 749 V CA 1.156 63.452 62.300 -0.006 0.000 1.125 749 V CB -0.571 31.250 31.823 -0.004 0.000 0.730 749 V HN 0.657 nan 8.190 nan 0.000 0.479 750 A N 0.000 122.817 122.820 -0.005 0.000 2.254 750 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 750 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 750 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 750 A HN 0.000 nan 8.150 nan 0.000 0.486