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 1sh2_1_A DATA FIRST_RESID 6 DATA SEQUENCE GTYCGAPILG PGSAPKLSTK TKFWRSSTAP LPPGTYEPAY LGGKDPRVKG DATA SEQUENCE GPSLQQVMRD QLKPFTEPRG KPPKPSVLEA AKKTIINVLE QTIDPPDKWS DATA SEQUENCE FAQACASLDK TTSSGHPHHM RKNDCWNGES FTGKLADQAS KANLMFEEGK DATA SEQUENCE NMTPVYTGAL KDELVKTDKI YGKIKKRLLW GSDLATMIRC ARAFGGLMDE DATA SEQUENCE LKTHCVTLPI RVGMNMNEDG PIIFERHSRY RYHYDADYSR WDSTQQRAVL DATA SEQUENCE AAALEIMVKF SSEPHLAQVV AEDLLSPSVV DVGDFTISIN EGLPSGVPCT DATA SEQUENCE SQWNSIAHWL LTLCALSEVT NLSPDIIQAN SLFSFYGDDE IVSTDIKLDP DATA SEQUENCE EKLTAKLKEY GLKPTRPDKT EGPLVISEDL NGLTFLRRTV TRDPAGWFGK DATA SEQUENCE LEQSSILRQM YWTRGPNHED PSETMIPHSQ RPIQLMSLLG EAALHGPAFY DATA SEQUENCE SKISKLVIAE LKEGGMDFYV PRQEPMFRWM RFSDLSTWEG DRNLAPSFVN DATA SEQUENCE ED 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 6 G C 0.000 174.832 174.900 -0.113 0.000 0.946 6 G CA 0.000 45.044 45.100 -0.094 0.000 0.502 7 T N -1.614 112.874 114.554 -0.110 0.000 2.971 7 T HA 0.583 4.933 4.350 -0.000 0.000 0.304 7 T C -2.180 172.498 174.700 -0.036 0.000 1.038 7 T CA -0.425 61.635 62.100 -0.067 0.000 1.007 7 T CB 1.505 70.350 68.868 -0.038 0.000 1.055 7 T HN 0.973 nan 8.240 nan 0.000 0.451 8 Y N 5.859 126.057 120.300 -0.170 0.000 2.388 8 Y HA 0.400 4.950 4.550 -0.000 0.000 0.328 8 Y C 1.010 176.880 175.900 -0.051 0.000 0.963 8 Y CA -1.105 56.913 58.100 -0.137 0.000 1.240 8 Y CB -0.167 38.191 38.460 -0.171 0.000 1.118 8 Y HN 1.178 nan 8.280 nan 0.000 0.484 9 C N 3.617 122.729 119.300 -0.312 0.000 2.694 9 C HA 0.013 4.473 4.460 -0.000 0.000 0.207 9 C C 1.507 176.453 174.990 -0.073 0.000 1.404 9 C CA 0.568 59.464 59.018 -0.204 0.000 2.372 9 C CB -2.441 25.140 27.740 -0.266 0.000 1.522 9 C HN 1.886 nan 8.230 nan 0.000 0.367 10 G N 0.152 108.929 108.800 -0.037 0.000 2.299 10 G HA2 0.199 4.159 3.960 -0.000 0.000 0.237 10 G HA3 0.199 4.159 3.960 -0.000 0.000 0.237 10 G C 0.350 175.264 174.900 0.023 0.000 1.027 10 G CA 0.598 45.697 45.100 -0.002 0.000 0.619 10 G HN 2.615 nan 8.290 nan 0.000 0.513 11 A N 1.461 124.308 122.820 0.045 0.000 2.309 11 A HA 0.769 5.089 4.320 -0.000 0.000 0.298 11 A C -2.130 175.479 177.584 0.041 0.000 1.165 11 A CA -1.207 50.867 52.037 0.062 0.000 0.821 11 A CB 0.799 19.857 19.000 0.096 0.000 1.102 11 A HN 0.155 nan 8.150 nan 0.000 0.500 12 P HA 0.164 nan 4.420 nan 0.000 0.266 12 P C -0.637 176.652 177.300 -0.018 0.000 1.195 12 P CA 0.382 63.481 63.100 -0.002 0.000 0.768 12 P CB 0.344 32.048 31.700 0.007 0.000 0.838 13 I N 3.306 123.833 120.570 -0.071 0.000 2.396 13 I HA 0.126 4.296 4.170 -0.000 0.000 0.292 13 I C 1.374 177.461 176.117 -0.050 0.000 0.999 13 I CA -0.131 61.101 61.300 -0.114 0.000 1.310 13 I CB 0.909 38.725 38.000 -0.307 0.000 1.404 13 I HN 0.317 nan 8.210 nan 0.000 0.496 14 L N 4.870 126.085 121.223 -0.014 0.000 2.537 14 L HA 0.479 4.819 4.340 -0.000 0.000 0.224 14 L C 0.906 177.791 176.870 0.025 0.000 1.065 14 L CA 0.078 54.922 54.840 0.006 0.000 0.860 14 L CB 0.177 42.242 42.059 0.009 0.000 1.086 14 L HN 0.804 nan 8.230 nan 0.000 0.482 15 G N -1.186 107.647 108.800 0.056 0.000 2.340 15 G HA2 0.333 4.293 3.960 -0.000 0.000 0.299 15 G HA3 0.333 4.293 3.960 -0.000 0.000 0.299 15 G C -3.139 171.840 174.900 0.131 0.000 1.291 15 G CA -0.683 44.465 45.100 0.080 0.000 0.841 15 G HN -0.363 nan 8.290 nan 0.000 0.500 16 P HA 0.429 nan 4.420 nan 0.000 0.274 16 P C 0.491 177.771 177.300 -0.033 0.000 1.237 16 P CA 0.100 63.201 63.100 0.000 0.000 0.793 16 P CB 0.896 32.580 31.700 -0.026 0.000 0.977 17 G N -0.303 108.422 108.800 -0.125 0.000 2.503 17 G HA2 0.366 4.326 3.960 -0.000 0.000 0.257 17 G HA3 0.366 4.326 3.960 -0.000 0.000 0.257 17 G C 0.211 175.077 174.900 -0.056 0.000 1.214 17 G CA -0.177 44.864 45.100 -0.099 0.000 0.839 17 G HN 0.444 nan 8.290 nan 0.000 0.559 18 S N -0.470 115.228 115.700 -0.003 0.000 3.067 18 S HA 0.515 4.985 4.470 -0.000 0.000 0.253 18 S C 0.624 175.247 174.600 0.037 0.000 0.942 18 S CA 0.305 58.527 58.200 0.037 0.000 1.197 18 S CB -0.356 62.906 63.200 0.104 0.000 1.143 18 S HN 1.088 nan 8.310 nan 0.000 0.638 19 A N 2.207 124.989 122.820 -0.064 0.000 2.282 19 A HA 0.813 5.133 4.320 -0.000 0.000 0.319 19 A C -2.545 174.875 177.584 -0.274 0.000 1.121 19 A CA -1.381 50.479 52.037 -0.294 0.000 0.836 19 A CB -0.278 18.585 19.000 -0.228 0.000 1.146 19 A HN 0.346 nan 8.150 nan 0.000 0.494 20 P HA 0.061 nan 4.420 nan 0.000 0.267 20 P C -0.192 177.021 177.300 -0.145 0.000 1.201 20 P CA -0.128 62.851 63.100 -0.202 0.000 0.775 20 P CB 0.429 32.014 31.700 -0.192 0.000 0.854 21 K N 2.253 122.593 120.400 -0.101 0.000 2.397 21 K HA 0.042 4.362 4.320 -0.000 0.000 0.265 21 K C -0.416 176.138 176.600 -0.078 0.000 0.982 21 K CA -0.370 55.867 56.287 -0.083 0.000 0.931 21 K CB 0.097 32.557 32.500 -0.067 0.000 0.943 21 K HN 0.118 nan 8.250 nan 0.000 0.501 22 L N 1.868 123.050 121.223 -0.068 0.000 2.426 22 L HA 0.052 4.392 4.340 -0.000 0.000 0.271 22 L C 0.738 177.570 176.870 -0.062 0.000 1.169 22 L CA 0.530 55.333 54.840 -0.060 0.000 0.836 22 L CB 0.834 42.862 42.059 -0.051 0.000 1.112 22 L HN 0.798 nan 8.230 nan 0.000 0.465 23 S N 0.701 116.368 115.700 -0.056 0.000 2.549 23 S HA 0.121 4.591 4.470 -0.000 0.000 0.283 23 S C 0.887 175.435 174.600 -0.087 0.000 1.320 23 S CA 0.031 58.197 58.200 -0.058 0.000 1.058 23 S CB 0.192 63.368 63.200 -0.040 0.000 0.882 23 S HN 0.764 nan 8.310 nan 0.000 0.498 24 T N 1.818 116.314 114.554 -0.097 0.000 3.214 24 T HA 0.423 4.773 4.350 -0.000 0.000 0.264 24 T C -0.033 174.583 174.700 -0.139 0.000 1.012 24 T CA -0.411 61.604 62.100 -0.140 0.000 0.901 24 T CB -0.211 68.578 68.868 -0.132 0.000 1.070 24 T HN 0.490 nan 8.240 nan 0.000 0.561 25 K N 0.347 120.684 120.400 -0.105 0.000 2.395 25 K HA 0.698 5.018 4.320 -0.000 0.000 0.247 25 K C -0.950 175.609 176.600 -0.068 0.000 0.973 25 K CA -0.795 55.436 56.287 -0.093 0.000 0.828 25 K CB 2.340 34.816 32.500 -0.040 0.000 1.272 25 K HN 0.060 nan 8.250 nan 0.000 0.439 26 T N 0.049 114.568 114.554 -0.059 0.000 2.900 26 T HA 0.206 4.556 4.350 -0.000 0.000 0.295 26 T C 0.060 174.813 174.700 0.087 0.000 1.044 26 T CA -0.772 61.336 62.100 0.014 0.000 0.995 26 T CB 0.944 69.821 68.868 0.015 0.000 1.072 26 T HN 0.694 nan 8.240 nan 0.000 0.473 27 K N 2.444 122.841 120.400 -0.005 0.000 2.444 27 K HA 0.140 4.460 4.320 -0.000 0.000 0.193 27 K C -0.523 176.080 176.600 0.004 0.000 1.024 27 K CA 0.037 56.304 56.287 -0.033 0.000 1.077 27 K CB -0.030 32.348 32.500 -0.202 0.000 0.833 27 K HN 0.364 nan 8.250 nan 0.000 0.517 28 F N 1.480 121.560 119.950 0.217 0.000 2.411 28 F HA 0.312 4.839 4.527 -0.000 0.000 0.350 28 F C -0.364 175.745 175.800 0.515 0.000 1.114 28 F CA -0.745 57.448 58.000 0.321 0.000 1.135 28 F CB 0.514 39.535 39.000 0.036 0.000 1.120 28 F HN -0.040 nan 8.300 nan 0.000 0.495 29 W N 3.097 124.780 121.300 0.639 0.000 2.666 29 W HA 0.568 5.228 4.660 -0.000 0.000 0.334 29 W C -0.165 176.640 176.519 0.476 0.000 1.051 29 W CA -1.128 56.526 57.345 0.514 0.000 1.224 29 W CB 0.752 30.288 29.460 0.125 0.000 1.405 29 W HN 0.124 nan 8.180 nan 0.000 0.513 30 R N 1.326 122.061 120.500 0.391 0.000 2.484 30 R HA 0.010 4.350 4.340 -0.000 0.000 0.293 30 R C 1.356 177.694 176.300 0.063 0.000 1.023 30 R CA 0.418 56.441 56.100 -0.129 0.000 1.037 30 R CB 0.644 30.805 30.300 -0.232 0.000 0.951 30 R HN 0.744 nan 8.270 nan 0.000 0.418 31 S N 0.399 116.092 115.700 -0.011 0.000 2.453 31 S HA -0.058 4.412 4.470 -0.000 0.000 0.231 31 S C 0.905 175.495 174.600 -0.017 0.000 1.005 31 S CA 0.553 58.761 58.200 0.013 0.000 0.949 31 S CB 0.061 63.254 63.200 -0.013 0.000 0.774 31 S HN 0.697 nan 8.310 nan 0.000 0.510 32 S N 0.027 115.710 115.700 -0.029 0.000 2.672 32 S HA 0.448 4.918 4.470 -0.000 0.000 0.271 32 S C 0.300 174.891 174.600 -0.014 0.000 1.171 32 S CA -0.040 58.148 58.200 -0.020 0.000 0.817 32 S CB 0.694 63.874 63.200 -0.032 0.000 1.150 32 S HN 0.386 nan 8.310 nan 0.000 0.478 33 T N -1.294 113.257 114.554 -0.006 0.000 3.169 33 T HA 0.506 4.856 4.350 -0.000 0.000 0.250 33 T C 0.783 175.481 174.700 -0.004 0.000 1.111 33 T CA 0.271 62.369 62.100 -0.004 0.000 1.010 33 T CB -0.742 68.128 68.868 0.003 0.000 0.984 33 T HN 1.232 nan 8.240 nan 0.000 0.537 34 A N 2.848 125.674 122.820 0.010 0.000 2.511 34 A HA 0.496 4.816 4.320 -0.000 0.000 0.242 34 A C -2.100 175.493 177.584 0.014 0.000 1.069 34 A CA -1.260 50.798 52.037 0.034 0.000 0.763 34 A CB -0.390 18.661 19.000 0.085 0.000 1.001 34 A HN 0.307 nan 8.150 nan 0.000 0.498 35 P HA 0.083 nan 4.420 nan 0.000 0.261 35 P C -0.446 176.762 177.300 -0.153 0.000 1.183 35 P CA 0.063 63.128 63.100 -0.057 0.000 0.761 35 P CB 0.225 31.902 31.700 -0.038 0.000 0.785 36 L N 7.554 128.644 121.223 -0.221 0.000 2.385 36 L HA 0.296 4.636 4.340 -0.000 0.000 0.281 36 L C -2.091 174.601 176.870 -0.298 0.000 1.106 36 L CA -1.706 52.891 54.840 -0.405 0.000 0.856 36 L CB -0.184 41.717 42.059 -0.264 0.000 1.186 36 L HN 0.280 nan 8.230 nan 0.000 0.453 37 P HA 0.127 nan 4.420 nan 0.000 0.264 37 P C -2.508 174.735 177.300 -0.095 0.000 1.193 37 P CA -0.835 62.158 63.100 -0.177 0.000 0.763 37 P CB -0.183 31.429 31.700 -0.146 0.000 0.810 38 P HA 0.043 nan 4.420 nan 0.000 0.258 38 P C 1.038 178.344 177.300 0.011 0.000 1.187 38 P CA 1.361 64.446 63.100 -0.025 0.000 0.767 38 P CB -0.043 31.641 31.700 -0.026 0.000 0.770 39 G N 1.973 110.799 108.800 0.042 0.000 2.307 39 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.210 39 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.210 39 G C 0.334 175.340 174.900 0.176 0.000 1.005 39 G CA -0.208 44.948 45.100 0.093 0.000 0.634 39 G HN 0.545 nan 8.290 nan 0.000 0.496 40 T N 2.678 117.317 114.554 0.141 0.000 2.934 40 T HA 0.361 4.711 4.350 -0.000 0.000 0.306 40 T C 0.362 175.278 174.700 0.360 0.000 1.042 40 T CA 0.175 62.403 62.100 0.212 0.000 1.145 40 T CB 0.536 69.448 68.868 0.073 0.000 0.982 40 T HN 0.191 nan 8.240 nan 0.000 0.544 41 Y N 2.041 122.407 120.300 0.111 0.000 2.511 41 Y HA 0.219 4.769 4.550 -0.000 0.000 0.347 41 Y C 1.247 177.157 175.900 0.016 0.000 1.257 41 Y CA -0.476 57.642 58.100 0.029 0.000 1.469 41 Y CB 0.260 38.693 38.460 -0.045 0.000 1.353 41 Y HN 0.634 nan 8.280 nan 0.000 0.617 42 E N 2.460 122.632 120.200 -0.046 0.000 2.369 42 E HA 0.382 4.732 4.350 -0.000 0.000 0.270 42 E C -2.749 173.546 176.600 -0.507 0.000 0.909 42 E CA -2.434 53.809 56.400 -0.261 0.000 0.775 42 E CB 2.054 31.776 29.700 0.036 0.000 1.270 42 E HN 0.245 nan 8.360 nan 0.000 0.445 43 P HA 0.017 nan 4.420 nan 0.000 0.269 43 P C -0.894 176.242 177.300 -0.272 0.000 1.209 43 P CA -0.001 62.777 63.100 -0.536 0.000 0.776 43 P CB 0.489 31.926 31.700 -0.439 0.000 0.876 44 A N 3.232 125.950 122.820 -0.170 0.000 2.492 44 A HA 0.024 4.344 4.320 -0.000 0.000 0.236 44 A C -0.165 177.384 177.584 -0.059 0.000 1.078 44 A CA -0.029 51.951 52.037 -0.094 0.000 0.773 44 A CB -0.657 18.320 19.000 -0.037 0.000 1.023 44 A HN 0.584 nan 8.150 nan 0.000 0.504 45 Y N 0.874 121.077 120.300 -0.163 0.000 2.811 45 Y HA 0.172 4.722 4.550 0.000 0.000 0.334 45 Y C 0.566 176.397 175.900 -0.115 0.000 1.247 45 Y CA 0.564 58.569 58.100 -0.159 0.000 1.526 45 Y CB 0.236 38.602 38.460 -0.156 0.000 1.284 45 Y HN 0.434 nan 8.280 nan 0.000 0.586 46 L N 6.122 126.910 121.223 -0.725 0.000 2.728 46 L HA 0.420 4.760 4.340 -0.000 0.000 0.238 46 L C 0.927 177.389 176.870 -0.679 0.000 1.143 46 L CA 0.339 54.849 54.840 -0.549 0.000 0.937 46 L CB -0.517 41.337 42.059 -0.342 0.000 1.225 46 L HN 1.038 nan 8.230 nan 0.000 0.507 47 G N -0.519 107.488 108.800 -1.320 0.000 2.422 47 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.607 47 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.607 47 G C 0.472 175.135 174.900 -0.394 0.000 1.270 47 G CA -0.487 44.186 45.100 -0.712 0.000 0.992 47 G HN 0.033 nan 8.290 nan 0.000 0.499 48 G N -0.661 108.088 108.800 -0.084 0.000 2.535 48 G HA2 0.102 4.062 3.960 -0.000 0.000 0.218 48 G HA3 0.102 4.062 3.960 -0.000 0.000 0.218 48 G C 1.144 176.036 174.900 -0.014 0.000 1.122 48 G CA 1.565 46.679 45.100 0.024 0.000 0.769 48 G HN 0.659 nan 8.290 nan 0.000 0.549 49 K N 0.209 120.562 120.400 -0.078 0.000 2.438 49 K HA 0.092 4.412 4.320 -0.000 0.000 0.205 49 K C -0.230 176.312 176.600 -0.096 0.000 1.033 49 K CA -0.437 55.810 56.287 -0.067 0.000 1.089 49 K CB 0.548 33.010 32.500 -0.063 0.000 0.857 49 K HN 0.062 nan 8.250 nan 0.000 0.522 50 D N 2.594 122.904 120.400 -0.150 0.000 2.502 50 D HA -0.045 4.595 4.640 -0.000 0.000 0.249 50 D C -1.446 174.819 176.300 -0.058 0.000 1.188 50 D CA -1.001 52.905 54.000 -0.157 0.000 0.890 50 D CB 1.236 41.897 40.800 -0.233 0.000 1.140 50 D HN 0.059 nan 8.370 nan 0.000 0.505 51 P HA -0.118 nan 4.420 nan 0.000 0.225 51 P C 0.908 178.226 177.300 0.030 0.000 1.148 51 P CA 0.913 64.005 63.100 -0.014 0.000 0.779 51 P CB 0.344 32.028 31.700 -0.028 0.000 0.780 52 R N -0.624 119.901 120.500 0.043 0.000 2.140 52 R HA 0.132 4.472 4.340 -0.000 0.000 0.213 52 R C 0.432 176.823 176.300 0.152 0.000 1.059 52 R CA 0.525 56.701 56.100 0.126 0.000 1.000 52 R CB 0.066 30.449 30.300 0.138 0.000 0.910 52 R HN 0.040 nan 8.270 nan 0.000 0.455 53 V N 2.341 122.314 119.914 0.098 0.000 2.326 53 V HA 0.246 4.366 4.120 -0.000 0.000 0.281 53 V C -0.383 175.773 176.094 0.104 0.000 1.015 53 V CA -0.945 61.427 62.300 0.120 0.000 0.823 53 V CB 1.551 33.468 31.823 0.157 0.000 1.009 53 V HN 0.065 nan 8.190 nan 0.000 0.436 54 K N 3.245 123.693 120.400 0.080 0.000 2.262 54 K HA 0.522 4.842 4.320 -0.000 0.000 0.282 54 K C 0.923 177.554 176.600 0.052 0.000 1.066 54 K CA 0.266 56.586 56.287 0.056 0.000 0.901 54 K CB 1.400 33.925 32.500 0.042 0.000 1.089 54 K HN 1.109 nan 8.250 nan 0.000 0.476 55 G N 2.552 111.383 108.800 0.051 0.000 2.289 55 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.280 55 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.280 55 G C 0.260 175.188 174.900 0.047 0.000 1.089 55 G CA -0.084 45.041 45.100 0.042 0.000 0.939 55 G HN 0.809 nan 8.290 nan 0.000 0.499 56 G N -0.136 108.721 108.800 0.094 0.000 2.488 56 G HA2 0.845 4.805 3.960 -0.000 0.000 0.318 56 G HA3 0.845 4.805 3.960 -0.000 0.000 0.318 56 G C -1.591 173.373 174.900 0.108 0.000 1.188 56 G CA -0.886 44.260 45.100 0.077 0.000 0.944 56 G HN 0.320 nan 8.290 nan 0.000 0.495 57 P HA 0.175 nan 4.420 nan 0.000 0.271 57 P C 0.441 177.823 177.300 0.138 0.000 1.218 57 P CA -0.227 62.892 63.100 0.032 0.000 0.780 57 P CB 1.099 32.766 31.700 -0.055 0.000 0.901 58 S N 2.242 117.994 115.700 0.087 0.000 2.558 58 S HA 0.001 4.471 4.470 -0.000 0.000 0.288 58 S C 1.504 176.166 174.600 0.104 0.000 1.318 58 S CA -0.383 57.865 58.200 0.081 0.000 1.056 58 S CB -0.161 63.065 63.200 0.044 0.000 0.853 58 S HN 0.396 nan 8.310 nan 0.000 0.505 59 L N 1.367 122.640 121.223 0.084 0.000 2.187 59 L HA -0.132 4.208 4.340 -0.000 0.000 0.213 59 L C 2.900 179.800 176.870 0.050 0.000 1.100 59 L CA 1.066 55.950 54.840 0.074 0.000 0.765 59 L CB -0.492 41.570 42.059 0.005 0.000 0.904 59 L HN 0.735 nan 8.230 nan 0.000 0.437 60 Q N -0.289 119.536 119.800 0.041 0.000 2.050 60 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 60 Q C 2.218 178.258 176.000 0.066 0.000 0.980 60 Q CA 1.516 57.350 55.803 0.052 0.000 0.840 60 Q CB -0.218 28.553 28.738 0.056 0.000 0.898 60 Q HN 0.475 nan 8.270 nan 0.000 0.424 61 Q N -0.194 119.637 119.800 0.052 0.000 2.079 61 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 61 Q C 2.192 178.202 176.000 0.016 0.000 0.974 61 Q CA 0.896 56.716 55.803 0.027 0.000 0.840 61 Q CB -0.088 28.658 28.738 0.014 0.000 0.898 61 Q HN 0.213 nan 8.270 nan 0.000 0.430 62 V N 1.101 121.034 119.914 0.031 0.000 2.392 62 V HA -0.282 3.838 4.120 -0.000 0.000 0.249 62 V C 2.363 178.472 176.094 0.026 0.000 1.059 62 V CA 1.883 64.198 62.300 0.025 0.000 1.051 62 V CB -0.529 31.337 31.823 0.072 0.000 0.658 62 V HN 0.397 nan 8.190 nan 0.000 0.455 63 M N -0.944 118.674 119.600 0.030 0.000 2.254 63 M HA -0.115 4.365 4.480 -0.000 0.000 0.265 63 M C 2.371 178.683 176.300 0.021 0.000 1.066 63 M CA 1.451 56.761 55.300 0.017 0.000 1.123 63 M CB -0.094 32.507 32.600 0.002 0.000 1.388 63 M HN 0.157 nan 8.290 nan 0.000 0.425 64 R N 0.512 121.025 120.500 0.022 0.000 2.080 64 R HA -0.170 4.170 4.340 -0.000 0.000 0.236 64 R C 1.534 177.822 176.300 -0.021 0.000 1.137 64 R CA 2.090 58.176 56.100 -0.023 0.000 0.943 64 R CB -0.370 29.887 30.300 -0.071 0.000 0.846 64 R HN 0.432 nan 8.270 nan 0.000 0.431 65 D N 0.252 120.645 120.400 -0.010 0.000 2.265 65 D HA -0.170 4.470 4.640 -0.000 0.000 0.208 65 D C 1.721 178.044 176.300 0.039 0.000 0.977 65 D CA 0.993 54.992 54.000 -0.001 0.000 0.871 65 D CB -0.050 40.744 40.800 -0.010 0.000 0.925 65 D HN 0.291 nan 8.370 nan 0.000 0.485 66 Q N -0.244 119.593 119.800 0.063 0.000 2.389 66 Q HA 0.089 4.429 4.340 -0.000 0.000 0.204 66 Q C 2.399 178.538 176.000 0.232 0.000 0.944 66 Q CA 0.144 56.029 55.803 0.136 0.000 0.908 66 Q CB 0.289 29.097 28.738 0.117 0.000 1.002 66 Q HN 0.398 nan 8.270 nan 0.000 0.493 67 L N 0.414 121.721 121.223 0.140 0.000 2.270 67 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 67 L C 2.472 179.463 176.870 0.202 0.000 1.104 67 L CA 0.578 55.517 54.840 0.165 0.000 0.804 67 L CB -0.276 41.815 42.059 0.053 0.000 0.937 67 L HN 0.123 nan 8.230 nan 0.000 0.450 68 K N 1.232 121.698 120.400 0.110 0.000 2.020 68 K HA -0.199 4.121 4.320 -0.000 0.000 0.212 68 K C -0.635 176.010 176.600 0.075 0.000 1.050 68 K CA 1.916 58.242 56.287 0.065 0.000 0.929 68 K CB -0.962 31.548 32.500 0.017 0.000 0.714 68 K HN 0.130 nan 8.250 nan 0.000 0.443 69 P HA -0.102 nan 4.420 nan 0.000 0.220 69 P C 0.718 177.960 177.300 -0.096 0.000 1.148 69 P CA 1.144 64.213 63.100 -0.052 0.000 0.803 69 P CB -0.047 31.578 31.700 -0.124 0.000 0.782 70 F N -1.316 118.651 119.950 0.028 0.000 2.325 70 F HA -0.066 4.461 4.527 0.000 0.000 0.299 70 F C 2.362 178.176 175.800 0.023 0.000 1.090 70 F CA 1.490 59.513 58.000 0.039 0.000 1.392 70 F CB -0.920 38.161 39.000 0.135 0.000 1.053 70 F HN -0.050 nan 8.300 nan 0.000 0.521 71 T N -1.489 113.180 114.554 0.192 0.000 3.022 71 T HA 0.075 4.425 4.350 -0.000 0.000 0.250 71 T C 0.523 175.249 174.700 0.044 0.000 1.060 71 T CA -0.115 62.050 62.100 0.108 0.000 1.013 71 T CB -0.270 68.654 68.868 0.093 0.000 0.982 71 T HN 0.006 nan 8.240 nan 0.000 0.508 72 E N 2.491 122.704 120.200 0.021 0.000 2.467 72 E HA 0.132 4.482 4.350 -0.000 0.000 0.264 72 E C -2.380 174.207 176.600 -0.021 0.000 1.020 72 E CA -1.188 55.205 56.400 -0.012 0.000 0.945 72 E CB 0.466 30.144 29.700 -0.037 0.000 0.942 72 E HN 0.251 nan 8.360 nan 0.000 0.449 73 P HA -0.029 nan 4.420 nan 0.000 0.265 73 P C -0.759 176.514 177.300 -0.046 0.000 1.187 73 P CA 0.257 63.339 63.100 -0.029 0.000 0.766 73 P CB 0.561 32.245 31.700 -0.026 0.000 0.820 74 R N 1.422 121.892 120.500 -0.050 0.000 2.637 74 R HA 0.505 4.845 4.340 -0.000 0.000 0.269 74 R C 1.300 177.566 176.300 -0.056 0.000 1.089 74 R CA 0.303 56.361 56.100 -0.070 0.000 1.177 74 R CB -0.160 30.094 30.300 -0.076 0.000 1.091 74 R HN 0.620 nan 8.270 nan 0.000 0.540 75 G N 0.842 109.606 108.800 -0.059 0.000 2.583 75 G HA2 0.027 3.986 3.960 -0.000 0.000 0.275 75 G HA3 0.027 3.986 3.960 -0.000 0.000 0.275 75 G C -0.709 174.184 174.900 -0.011 0.000 1.342 75 G CA -0.403 44.682 45.100 -0.025 0.000 1.030 75 G HN 0.415 nan 8.290 nan 0.000 0.520 76 K N 1.336 121.753 120.400 0.028 0.000 2.322 76 K HA 0.194 4.514 4.320 -0.000 0.000 0.283 76 K C -2.061 174.550 176.600 0.019 0.000 1.042 76 K CA -1.288 55.018 56.287 0.031 0.000 0.958 76 K CB 1.055 33.591 32.500 0.061 0.000 0.984 76 K HN 0.193 nan 8.250 nan 0.000 0.473 77 P HA 0.133 nan 4.420 nan 0.000 0.271 77 P C -2.591 174.605 177.300 -0.172 0.000 1.218 77 P CA -1.415 61.599 63.100 -0.145 0.000 0.780 77 P CB -0.081 31.551 31.700 -0.113 0.000 0.901 78 P HA 0.041 nan 4.420 nan 0.000 0.267 78 P C 0.136 177.364 177.300 -0.121 0.000 1.200 78 P CA 0.114 63.011 63.100 -0.339 0.000 0.772 78 P CB 0.264 31.627 31.700 -0.561 0.000 0.855 79 K N 4.560 124.946 120.400 -0.024 0.000 2.473 79 K HA -0.077 4.243 4.320 -0.000 0.000 0.277 79 K C -1.491 175.087 176.600 -0.036 0.000 1.052 79 K CA -0.675 55.604 56.287 -0.013 0.000 1.114 79 K CB -0.073 32.437 32.500 0.016 0.000 0.869 79 K HN 0.297 nan 8.250 nan 0.000 0.481 80 P HA -0.236 nan 4.420 nan 0.000 0.216 80 P C 1.123 178.403 177.300 -0.033 0.000 1.150 80 P CA 1.483 64.557 63.100 -0.042 0.000 0.843 80 P CB 0.161 31.841 31.700 -0.033 0.000 0.787 81 S N -0.803 114.885 115.700 -0.019 0.000 2.387 81 S HA -0.119 4.351 4.470 -0.000 0.000 0.226 81 S C 2.008 176.603 174.600 -0.009 0.000 1.026 81 S CA 1.349 59.541 58.200 -0.012 0.000 0.972 81 S CB -1.787 61.411 63.200 -0.004 0.000 0.814 81 S HN 0.142 nan 8.310 nan 0.000 0.477 82 V N 0.151 120.063 119.914 -0.005 0.000 2.548 82 V HA 0.068 4.188 4.120 -0.000 0.000 0.249 82 V C 2.261 178.347 176.094 -0.014 0.000 1.055 82 V CA 1.413 63.716 62.300 0.005 0.000 1.065 82 V CB -0.934 30.907 31.823 0.030 0.000 0.681 82 V HN 0.440 nan 8.190 nan 0.000 0.462 83 L N 1.132 122.329 121.223 -0.043 0.000 2.056 83 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 83 L C 2.493 179.330 176.870 -0.056 0.000 1.078 83 L CA 2.632 57.432 54.840 -0.068 0.000 0.749 83 L CB -0.999 41.001 42.059 -0.098 0.000 0.901 83 L HN 0.546 nan 8.230 nan 0.000 0.433 84 E N -0.056 120.118 120.200 -0.043 0.000 2.077 84 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 84 E C 2.078 178.658 176.600 -0.033 0.000 0.989 84 E CA 1.609 57.986 56.400 -0.038 0.000 0.800 84 E CB -0.373 29.309 29.700 -0.029 0.000 0.746 84 E HN 0.561 nan 8.360 nan 0.000 0.452 85 A N 0.645 123.453 122.820 -0.021 0.000 1.930 85 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 85 A C 2.429 180.002 177.584 -0.018 0.000 1.175 85 A CA 1.845 53.876 52.037 -0.010 0.000 0.627 85 A CB -0.955 18.049 19.000 0.007 0.000 0.815 85 A HN 0.386 nan 8.150 nan 0.000 0.443 86 A N 0.208 123.013 122.820 -0.025 0.000 1.877 86 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 86 A C 2.128 179.639 177.584 -0.122 0.000 1.186 86 A CA 2.132 54.139 52.037 -0.050 0.000 0.620 86 A CB -0.541 18.434 19.000 -0.042 0.000 0.822 86 A HN 0.586 nan 8.150 nan 0.000 0.443 87 K N -0.561 119.775 120.400 -0.108 0.000 2.020 87 K HA -0.262 4.058 4.320 -0.000 0.000 0.212 87 K C 2.018 178.556 176.600 -0.103 0.000 1.050 87 K CA 2.038 58.253 56.287 -0.120 0.000 0.929 87 K CB -0.174 32.279 32.500 -0.078 0.000 0.714 87 K HN 0.195 nan 8.250 nan 0.000 0.443 88 K N 0.226 120.588 120.400 -0.062 0.000 2.147 88 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 88 K C 1.972 178.553 176.600 -0.031 0.000 1.049 88 K CA 1.767 58.033 56.287 -0.036 0.000 0.936 88 K CB -0.474 32.014 32.500 -0.020 0.000 0.722 88 K HN 0.246 nan 8.250 nan 0.000 0.446 89 T N 0.766 115.292 114.554 -0.045 0.000 2.737 89 T HA -0.048 4.302 4.350 -0.000 0.000 0.265 89 T C 1.802 176.457 174.700 -0.075 0.000 1.038 89 T CA 1.365 63.451 62.100 -0.023 0.000 1.144 89 T CB -0.204 68.673 68.868 0.014 0.000 0.866 89 T HN 0.101 nan 8.240 nan 0.000 0.434 90 I N 0.647 121.059 120.570 -0.264 0.000 2.127 90 I HA -0.181 3.989 4.170 -0.000 0.000 0.241 90 I C 2.293 178.299 176.117 -0.184 0.000 1.075 90 I CA 1.408 62.395 61.300 -0.522 0.000 1.334 90 I CB -0.444 37.012 38.000 -0.906 0.000 1.040 90 I HN 0.202 nan 8.210 nan 0.000 0.405 91 I N 0.874 121.421 120.570 -0.037 0.000 2.145 91 I HA -0.402 3.768 4.170 -0.000 0.000 0.244 91 I C 2.372 178.603 176.117 0.192 0.000 1.075 91 I CA 2.073 63.490 61.300 0.194 0.000 1.332 91 I CB -0.552 37.512 38.000 0.108 0.000 1.033 91 I HN 0.378 nan 8.210 nan 0.000 0.410 92 N N 0.496 119.246 118.700 0.084 0.000 2.084 92 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 92 N C 1.715 177.273 175.510 0.080 0.000 1.030 92 N CA 1.622 54.720 53.050 0.080 0.000 0.849 92 N CB -0.181 38.337 38.487 0.052 0.000 1.012 92 N HN 0.110 nan 8.380 nan 0.000 0.423 93 V N 0.349 120.313 119.914 0.083 0.000 2.287 93 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 93 V C 2.220 178.349 176.094 0.059 0.000 1.053 93 V CA 1.189 63.562 62.300 0.122 0.000 1.027 93 V CB -0.608 31.397 31.823 0.304 0.000 0.646 93 V HN 0.310 nan 8.190 nan 0.000 0.447 94 L N -0.293 120.928 121.223 -0.005 0.000 2.093 94 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 94 L C 2.402 179.147 176.870 -0.208 0.000 1.085 94 L CA 1.668 56.362 54.840 -0.243 0.000 0.755 94 L CB -1.050 40.609 42.059 -0.666 0.000 0.904 94 L HN 0.382 nan 8.230 nan 0.000 0.435 95 E N -0.993 119.247 120.200 0.067 0.000 2.110 95 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 95 E C 1.988 178.627 176.600 0.065 0.000 0.988 95 E CA 1.002 57.515 56.400 0.188 0.000 0.804 95 E CB 0.040 29.878 29.700 0.230 0.000 0.745 95 E HN 0.517 nan 8.360 nan 0.000 0.458 96 Q N -1.157 118.658 119.800 0.025 0.000 2.425 96 Q HA 0.014 4.354 4.340 -0.000 0.000 0.204 96 Q C 1.204 177.173 176.000 -0.052 0.000 0.933 96 Q CA 0.796 56.600 55.803 0.001 0.000 0.939 96 Q CB 0.664 29.411 28.738 0.014 0.000 1.044 96 Q HN 0.092 nan 8.270 nan 0.000 0.513 97 T N -0.332 114.152 114.554 -0.116 0.000 3.085 97 T HA 0.212 4.561 4.350 -0.000 0.000 0.241 97 T C 0.732 175.154 174.700 -0.462 0.000 0.988 97 T CA 0.027 61.977 62.100 -0.250 0.000 1.117 97 T CB 0.378 69.104 68.868 -0.236 0.000 0.978 97 T HN 0.267 nan 8.240 nan 0.000 0.454 98 I N -0.644 119.711 120.570 -0.357 0.000 3.204 98 I HA 0.721 4.891 4.170 -0.000 0.000 0.313 98 I C -1.105 174.979 176.117 -0.056 0.000 1.082 98 I CA -0.969 60.143 61.300 -0.313 0.000 1.033 98 I CB 1.172 39.035 38.000 -0.229 0.000 1.304 98 I HN -0.202 nan 8.210 nan 0.000 0.536 99 D N 0.696 121.135 120.400 0.065 0.000 2.374 99 D HA 0.491 5.131 4.640 -0.000 0.000 0.239 99 D C -2.624 173.755 176.300 0.131 0.000 0.991 99 D CA -1.459 52.605 54.000 0.107 0.000 0.960 99 D CB 1.459 42.338 40.800 0.131 0.000 1.284 99 D HN 0.363 nan 8.370 nan 0.000 0.512 100 P HA 0.159 nan 4.420 nan 0.000 0.262 100 P C -2.299 175.076 177.300 0.125 0.000 1.199 100 P CA -0.670 62.511 63.100 0.135 0.000 0.763 100 P CB -0.179 31.587 31.700 0.109 0.000 0.790 101 P HA 0.156 nan 4.420 nan 0.000 0.276 101 P C -0.605 176.769 177.300 0.123 0.000 1.252 101 P CA -0.219 62.952 63.100 0.117 0.000 0.802 101 P CB 0.854 32.611 31.700 0.096 0.000 1.035 102 D N 0.886 121.374 120.400 0.148 0.000 2.382 102 D HA 0.102 4.742 4.640 -0.000 0.000 0.245 102 D C 0.341 176.772 176.300 0.217 0.000 1.120 102 D CA 0.101 54.210 54.000 0.182 0.000 0.890 102 D CB 0.863 41.793 40.800 0.217 0.000 1.201 102 D HN 0.236 nan 8.370 nan 0.000 0.433 103 K N 0.908 121.432 120.400 0.207 0.000 2.382 103 K HA 0.060 4.380 4.320 -0.000 0.000 0.275 103 K C -0.427 176.406 176.600 0.389 0.000 1.009 103 K CA -0.087 56.339 56.287 0.232 0.000 0.970 103 K CB 0.630 33.241 32.500 0.184 0.000 0.934 103 K HN 0.297 nan 8.250 nan 0.000 0.479 104 W N 2.720 124.040 121.300 0.033 0.000 2.294 104 W HA 0.156 4.816 4.660 0.000 0.000 0.314 104 W C 0.464 176.993 176.519 0.016 0.000 1.044 104 W CA -1.016 56.337 57.345 0.013 0.000 1.284 104 W CB 0.558 30.005 29.460 -0.022 0.000 1.231 104 W HN 0.631 nan 8.180 nan 0.000 0.419 105 S N 2.520 118.328 115.700 0.179 0.000 2.592 105 S HA -0.076 4.394 4.470 -0.000 0.000 0.256 105 S C 1.072 175.787 174.600 0.191 0.000 1.369 105 S CA -0.094 58.200 58.200 0.157 0.000 0.984 105 S CB 0.424 63.683 63.200 0.098 0.000 0.919 105 S HN 0.368 nan 8.310 nan 0.000 0.576 106 F N 1.801 121.774 119.950 0.039 0.000 2.095 106 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 106 F C 2.583 178.406 175.800 0.037 0.000 1.104 106 F CA 1.345 59.370 58.000 0.043 0.000 1.232 106 F CB -1.505 37.533 39.000 0.063 0.000 0.987 106 F HN 0.762 nan 8.300 nan 0.000 0.475 107 A N 0.086 122.888 122.820 -0.030 0.000 1.873 107 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 107 A C 2.152 179.636 177.584 -0.167 0.000 1.193 107 A CA 2.198 54.142 52.037 -0.156 0.000 0.629 107 A CB -1.053 17.898 19.000 -0.082 0.000 0.826 107 A HN 0.614 nan 8.150 nan 0.000 0.447 108 Q N -0.795 118.895 119.800 -0.183 0.000 2.124 108 Q HA -0.044 4.296 4.340 -0.000 0.000 0.202 108 Q C 2.425 178.211 176.000 -0.357 0.000 0.977 108 Q CA 1.293 56.874 55.803 -0.370 0.000 0.850 108 Q CB -0.412 27.958 28.738 -0.614 0.000 0.901 108 Q HN 0.695 nan 8.270 nan 0.000 0.429 109 A N 0.439 123.197 122.820 -0.103 0.000 1.877 109 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 109 A C 2.325 179.929 177.584 0.034 0.000 1.186 109 A CA 1.424 53.525 52.037 0.105 0.000 0.620 109 A CB -1.046 18.081 19.000 0.213 0.000 0.822 109 A HN 0.506 nan 8.150 nan 0.000 0.443 110 C N -1.068 118.194 119.300 -0.064 0.000 2.432 110 C HA 0.042 4.502 4.460 -0.000 0.000 0.277 110 C C 3.339 178.190 174.990 -0.231 0.000 1.249 110 C CA 0.797 59.763 59.018 -0.087 0.000 1.725 110 C CB -1.400 26.234 27.740 -0.177 0.000 2.028 110 C HN 0.709 nan 8.230 nan 0.000 0.477 111 A N 1.170 123.901 122.820 -0.147 0.000 1.940 111 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 111 A C 2.299 179.766 177.584 -0.196 0.000 1.176 111 A CA 2.465 54.415 52.037 -0.145 0.000 0.631 111 A CB -0.894 18.046 19.000 -0.099 0.000 0.814 111 A HN 0.732 nan 8.150 nan 0.000 0.446 112 S N -0.454 115.149 115.700 -0.162 0.000 2.447 112 S HA 0.083 4.552 4.470 -0.000 0.000 0.233 112 S C 0.727 175.324 174.600 -0.006 0.000 1.006 112 S CA 0.153 58.316 58.200 -0.062 0.000 0.957 112 S CB -0.777 62.458 63.200 0.058 0.000 0.773 112 S HN 0.393 nan 8.310 nan 0.000 0.507 113 L N 2.614 123.808 121.223 -0.048 0.000 2.416 113 L HA 0.275 4.615 4.340 -0.000 0.000 0.272 113 L C 0.457 177.274 176.870 -0.088 0.000 1.161 113 L CA -0.534 54.294 54.840 -0.020 0.000 0.845 113 L CB 0.077 42.156 42.059 0.034 0.000 1.119 113 L HN 0.147 nan 8.230 nan 0.000 0.464 114 D N 2.798 123.185 120.400 -0.022 0.000 2.520 114 D HA -0.065 4.575 4.640 -0.000 0.000 0.243 114 D C 0.594 176.853 176.300 -0.068 0.000 1.160 114 D CA 0.265 54.247 54.000 -0.030 0.000 0.877 114 D CB 0.952 41.765 40.800 0.022 0.000 1.150 114 D HN 0.350 nan 8.370 nan 0.000 0.494 115 K N 1.800 122.127 120.400 -0.122 0.000 2.379 115 K HA -0.008 4.312 4.320 -0.000 0.000 0.194 115 K C 1.689 178.272 176.600 -0.029 0.000 1.031 115 K CA 0.386 56.591 56.287 -0.137 0.000 1.037 115 K CB -0.131 32.194 32.500 -0.293 0.000 0.824 115 K HN 0.547 nan 8.250 nan 0.000 0.516 116 T N -1.252 113.296 114.554 -0.010 0.000 3.113 116 T HA -0.005 4.345 4.350 -0.000 0.000 0.256 116 T C 1.030 175.747 174.700 0.029 0.000 1.131 116 T CA 0.183 62.292 62.100 0.015 0.000 1.074 116 T CB -0.332 68.543 68.868 0.012 0.000 0.944 116 T HN 0.180 nan 8.240 nan 0.000 0.516 117 T N -0.548 114.025 114.554 0.033 0.000 2.937 117 T HA 0.607 4.957 4.350 -0.000 0.000 0.283 117 T C 0.011 174.744 174.700 0.055 0.000 1.012 117 T CA -0.773 61.356 62.100 0.048 0.000 0.997 117 T CB 1.562 70.465 68.868 0.057 0.000 1.136 117 T HN 0.104 nan 8.240 nan 0.000 0.551 118 S N 0.169 115.910 115.700 0.068 0.000 2.576 118 S HA 0.202 4.672 4.470 -0.000 0.000 0.276 118 S C 1.615 176.251 174.600 0.060 0.000 1.339 118 S CA -0.115 58.133 58.200 0.080 0.000 1.039 118 S CB 0.246 63.515 63.200 0.114 0.000 0.902 118 S HN 0.992 nan 8.310 nan 0.000 0.516 119 S N 3.977 119.696 115.700 0.033 0.000 2.507 119 S HA 0.246 4.716 4.470 -0.000 0.000 0.235 119 S C 1.379 175.966 174.600 -0.023 0.000 0.988 119 S CA 0.561 58.742 58.200 -0.031 0.000 0.944 119 S CB -1.463 61.694 63.200 -0.072 0.000 0.762 119 S HN 1.879 nan 8.310 nan 0.000 0.526 120 G N 1.298 110.130 108.800 0.053 0.000 2.569 120 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.259 120 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.259 120 G C -0.256 174.431 174.900 -0.355 0.000 1.263 120 G CA 0.210 45.348 45.100 0.062 0.000 0.928 120 G HN 0.989 nan 8.290 nan 0.000 0.572 121 H N 2.595 121.450 119.070 -0.359 0.000 2.928 121 H HA 0.403 4.959 4.556 0.000 0.000 0.338 121 H C -0.919 174.145 175.328 -0.441 0.000 1.047 121 H CA -0.100 55.657 56.048 -0.486 0.000 1.435 121 H CB 1.357 31.003 29.762 -0.192 0.000 1.428 121 H HN 0.274 nan 8.280 nan 0.000 0.590 122 P HA 0.038 nan 4.420 nan 0.000 0.275 122 P C 0.348 177.113 177.300 -0.892 0.000 1.310 122 P CA 0.556 62.859 63.100 -1.328 0.000 0.904 122 P CB 0.565 31.444 31.700 -1.370 0.000 1.381 123 H N -1.124 117.663 119.070 -0.472 0.000 2.525 123 H HA 0.079 4.635 4.556 -0.000 0.000 0.275 123 H C 0.182 175.442 175.328 -0.114 0.000 0.984 123 H CA 0.563 56.472 56.048 -0.231 0.000 1.264 123 H CB -0.634 29.036 29.762 -0.153 0.000 1.432 123 H HN 0.233 nan 8.280 nan 0.000 0.549 124 H N -0.766 118.325 119.070 0.035 0.000 2.672 124 H HA -0.156 4.400 4.556 -0.000 0.000 0.325 124 H C -0.217 175.134 175.328 0.039 0.000 1.158 124 H CA 0.649 56.713 56.048 0.026 0.000 1.134 124 H CB -1.933 27.835 29.762 0.010 0.000 1.553 124 H HN 0.300 nan 8.280 nan 0.000 0.419 125 M N 0.234 119.904 119.600 0.117 0.000 2.383 125 M HA 0.290 4.770 4.480 -0.000 0.000 0.325 125 M C 0.502 176.849 176.300 0.078 0.000 1.092 125 M CA -0.410 54.944 55.300 0.090 0.000 0.961 125 M CB 1.717 34.358 32.600 0.068 0.000 1.672 125 M HN 0.267 nan 8.290 nan 0.000 0.438 126 R N 3.068 123.616 120.500 0.079 0.000 2.480 126 R HA -0.021 4.319 4.340 -0.000 0.000 0.303 126 R C 0.484 176.843 176.300 0.098 0.000 0.985 126 R CA 0.650 56.796 56.100 0.077 0.000 1.051 126 R CB 0.470 30.812 30.300 0.070 0.000 0.935 126 R HN 0.783 nan 8.270 nan 0.000 0.410 127 K N 2.912 123.370 120.400 0.096 0.000 2.074 127 K HA -0.263 4.057 4.320 -0.000 0.000 0.209 127 K C 1.604 178.364 176.600 0.267 0.000 1.048 127 K CA 2.161 58.554 56.287 0.177 0.000 0.926 127 K CB -0.142 32.451 32.500 0.154 0.000 0.713 127 K HN 0.563 nan 8.250 nan 0.000 0.444 128 N N 1.185 119.977 118.700 0.155 0.000 2.272 128 N HA -0.159 4.581 4.740 -0.000 0.000 0.185 128 N C 0.936 176.591 175.510 0.242 0.000 1.014 128 N CA 1.392 54.561 53.050 0.198 0.000 0.870 128 N CB -0.057 38.502 38.487 0.121 0.000 0.975 128 N HN 0.113 nan 8.380 nan 0.000 0.433 129 D N -1.260 119.249 120.400 0.183 0.000 2.263 129 D HA -0.027 4.613 4.640 -0.000 0.000 0.208 129 D C 0.265 176.663 176.300 0.163 0.000 0.971 129 D CA 0.746 54.832 54.000 0.144 0.000 0.867 129 D CB -0.076 40.787 40.800 0.104 0.000 0.929 129 D HN 0.347 nan 8.370 nan 0.000 0.492 130 C N 0.343 119.794 119.300 0.251 0.000 2.778 130 C HA 0.292 4.752 4.460 -0.000 0.000 0.252 130 C C -0.490 174.757 174.990 0.428 0.000 1.693 130 C CA -1.212 57.967 59.018 0.269 0.000 1.724 130 C CB -0.229 27.649 27.740 0.230 0.000 3.153 130 C HN 0.297 nan 8.230 nan 0.000 0.493 131 W N 3.269 124.618 121.300 0.082 0.000 2.884 131 W HA 0.292 4.952 4.660 0.000 0.000 0.336 131 W C -0.636 175.840 176.519 -0.072 0.000 1.038 131 W CA -0.406 56.910 57.345 -0.049 0.000 1.247 131 W CB 1.232 30.643 29.460 -0.082 0.000 1.351 131 W HN 0.457 nan 8.180 nan 0.000 0.446 132 N N 3.486 121.769 118.700 -0.695 0.000 2.270 132 N HA 0.251 4.991 4.740 -0.000 0.000 0.198 132 N C 1.081 176.172 175.510 -0.699 0.000 1.117 132 N CA 0.691 53.417 53.050 -0.540 0.000 0.845 132 N CB 0.672 38.953 38.487 -0.344 0.000 0.980 132 N HN 0.773 nan 8.380 nan 0.000 0.486 133 G N 0.164 108.180 108.800 -1.306 0.000 2.339 133 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.209 133 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.209 133 G C 0.768 175.164 174.900 -0.841 0.000 1.015 133 G CA 0.293 44.942 45.100 -0.752 0.000 0.635 133 G HN 0.409 nan 8.290 nan 0.000 0.499 134 E N -0.299 119.247 120.200 -1.090 0.000 2.391 134 E HA 0.287 4.637 4.350 -0.000 0.000 0.206 134 E C 0.314 176.322 176.600 -0.987 0.000 0.851 134 E CA 0.914 56.849 56.400 -0.775 0.000 1.059 134 E CB 1.001 30.455 29.700 -0.410 0.000 1.065 134 E HN 0.409 nan 8.360 nan 0.000 0.512 135 S N 0.453 115.453 115.700 -1.168 0.000 2.595 135 S HA 0.516 4.986 4.470 -0.000 0.000 0.281 135 S C -0.605 173.728 174.600 -0.445 0.000 1.117 135 S CA -0.787 57.040 58.200 -0.622 0.000 0.873 135 S CB 1.201 64.230 63.200 -0.286 0.000 1.108 135 S HN -0.019 nan 8.310 nan 0.000 0.477 136 F N 1.418 121.455 119.950 0.144 0.000 2.403 136 F HA 0.595 5.122 4.527 -0.000 0.000 0.320 136 F C 1.312 177.155 175.800 0.072 0.000 1.176 136 F CA 0.052 58.177 58.000 0.208 0.000 1.206 136 F CB 0.796 39.929 39.000 0.221 0.000 1.235 136 F HN 0.443 nan 8.300 nan 0.000 0.565 137 T N 0.003 114.739 114.554 0.305 0.000 2.903 137 T HA 0.540 4.890 4.350 -0.000 0.000 0.299 137 T C 0.203 174.956 174.700 0.087 0.000 1.093 137 T CA 0.146 62.326 62.100 0.134 0.000 1.002 137 T CB 1.169 70.087 68.868 0.083 0.000 1.127 137 T HN 1.031 nan 8.240 nan 0.000 0.488 138 G N 3.288 112.110 108.800 0.037 0.000 2.629 138 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.313 138 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.313 138 G C 0.949 175.817 174.900 -0.054 0.000 1.217 138 G CA 1.079 46.173 45.100 -0.010 0.000 0.994 138 G HN 0.786 nan 8.290 nan 0.000 0.549 139 K N 0.147 120.452 120.400 -0.159 0.000 2.211 139 K HA 0.221 4.541 4.320 -0.000 0.000 0.203 139 K C 2.627 179.040 176.600 -0.311 0.000 1.050 139 K CA 1.203 57.278 56.287 -0.354 0.000 0.945 139 K CB -0.191 31.857 32.500 -0.753 0.000 0.732 139 K HN 0.402 nan 8.250 nan 0.000 0.451 140 L N -0.060 121.059 121.223 -0.174 0.000 2.179 140 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 140 L C 2.470 179.356 176.870 0.026 0.000 1.096 140 L CA 0.659 55.433 54.840 -0.111 0.000 0.779 140 L CB -0.557 41.407 42.059 -0.158 0.000 0.922 140 L HN 0.168 nan 8.230 nan 0.000 0.443 141 A N 0.241 123.141 122.820 0.134 0.000 1.902 141 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 141 A C 1.886 179.568 177.584 0.164 0.000 1.181 141 A CA 1.808 53.976 52.037 0.219 0.000 0.623 141 A CB -0.393 18.711 19.000 0.174 0.000 0.818 141 A HN 0.323 nan 8.150 nan 0.000 0.443 142 D N -0.888 119.559 120.400 0.079 0.000 2.117 142 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 142 D C 2.074 178.420 176.300 0.077 0.000 0.987 142 D CA 1.641 55.679 54.000 0.063 0.000 0.829 142 D CB -0.361 40.455 40.800 0.026 0.000 0.961 142 D HN 0.733 nan 8.370 nan 0.000 0.460 143 Q N 0.388 120.236 119.800 0.080 0.000 2.049 143 Q HA -0.065 4.275 4.340 -0.000 0.000 0.198 143 Q C 2.075 178.128 176.000 0.089 0.000 0.971 143 Q CA 1.372 57.226 55.803 0.085 0.000 0.833 143 Q CB -0.038 28.763 28.738 0.104 0.000 0.896 143 Q HN 0.157 nan 8.270 nan 0.000 0.434 144 A N 0.109 123.010 122.820 0.135 0.000 1.908 144 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 144 A C 2.264 180.027 177.584 0.299 0.000 1.181 144 A CA 1.840 54.056 52.037 0.299 0.000 0.627 144 A CB -0.802 18.485 19.000 0.480 0.000 0.818 144 A HN 0.422 nan 8.150 nan 0.000 0.445 145 S N -0.937 114.894 115.700 0.217 0.000 2.368 145 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 145 S C 2.144 176.686 174.600 -0.097 0.000 1.029 145 S CA 1.277 59.453 58.200 -0.039 0.000 0.988 145 S CB -0.220 63.012 63.200 0.054 0.000 0.838 145 S HN 0.531 nan 8.310 nan 0.000 0.462 146 K N 1.162 121.557 120.400 -0.008 0.000 2.032 146 K HA -0.083 4.237 4.320 -0.000 0.000 0.209 146 K C 2.243 178.834 176.600 -0.015 0.000 1.048 146 K CA 1.355 57.637 56.287 -0.008 0.000 0.927 146 K CB -0.506 32.005 32.500 0.020 0.000 0.712 146 K HN 0.332 nan 8.250 nan 0.000 0.441 147 A N 1.823 124.647 122.820 0.007 0.000 1.908 147 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 147 A C 1.981 179.569 177.584 0.006 0.000 1.181 147 A CA 1.854 53.907 52.037 0.026 0.000 0.627 147 A CB -0.757 18.280 19.000 0.061 0.000 0.818 147 A HN 0.511 nan 8.150 nan 0.000 0.445 148 N N -0.137 118.490 118.700 -0.122 0.000 2.120 148 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 148 N C 1.775 177.224 175.510 -0.101 0.000 1.024 148 N CA 1.476 54.379 53.050 -0.245 0.000 0.852 148 N CB -0.155 37.728 38.487 -1.008 0.000 1.003 148 N HN 0.495 nan 8.380 nan 0.000 0.424 149 L N 0.600 121.750 121.223 -0.122 0.000 2.056 149 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 149 L C 2.669 179.529 176.870 -0.016 0.000 1.078 149 L CA 0.734 55.537 54.840 -0.063 0.000 0.749 149 L CB -0.303 41.717 42.059 -0.066 0.000 0.901 149 L HN 0.197 nan 8.230 nan 0.000 0.433 150 M N -1.007 118.593 119.600 0.001 0.000 2.117 150 M HA -0.235 4.245 4.480 -0.000 0.000 0.262 150 M C 2.420 178.729 176.300 0.014 0.000 1.065 150 M CA 1.806 57.110 55.300 0.007 0.000 1.114 150 M CB -1.153 31.458 32.600 0.018 0.000 1.361 150 M HN 0.208 nan 8.290 nan 0.000 0.408 151 F N 1.667 121.573 119.950 -0.073 0.000 2.069 151 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 151 F C 2.226 177.973 175.800 -0.087 0.000 1.113 151 F CA 1.958 59.909 58.000 -0.083 0.000 1.214 151 F CB -0.329 38.627 39.000 -0.073 0.000 0.978 151 F HN 0.204 nan 8.300 nan 0.000 0.474 152 E N -0.267 119.888 120.200 -0.075 0.000 2.153 152 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 152 E C 1.638 178.131 176.600 -0.178 0.000 0.988 152 E CA 1.421 57.733 56.400 -0.147 0.000 0.811 152 E CB -0.144 29.563 29.700 0.012 0.000 0.746 152 E HN 0.585 nan 8.360 nan 0.000 0.466 153 E N -0.466 119.658 120.200 -0.127 0.000 2.465 153 E HA 0.091 4.441 4.350 -0.000 0.000 0.191 153 E C 0.402 176.932 176.600 -0.116 0.000 1.053 153 E CA 0.118 56.462 56.400 -0.093 0.000 0.869 153 E CB 0.618 30.286 29.700 -0.053 0.000 0.977 153 E HN 0.268 nan 8.360 nan 0.000 0.483 154 G N 2.778 111.456 108.800 -0.205 0.000 2.393 154 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.299 154 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.299 154 G C -0.208 174.630 174.900 -0.104 0.000 0.990 154 G CA 0.646 45.627 45.100 -0.198 0.000 1.118 154 G HN 0.109 nan 8.290 nan 0.000 0.513 155 K N 0.240 120.594 120.400 -0.077 0.000 2.270 155 K HA 0.245 4.565 4.320 -0.000 0.000 0.255 155 K C 0.238 176.825 176.600 -0.022 0.000 0.936 155 K CA -0.934 55.329 56.287 -0.039 0.000 0.809 155 K CB 1.092 33.575 32.500 -0.028 0.000 1.131 155 K HN 0.251 nan 8.250 nan 0.000 0.427 156 N N 2.939 121.631 118.700 -0.013 0.000 2.518 156 N HA 0.188 4.928 4.740 -0.000 0.000 0.266 156 N C -0.322 175.192 175.510 0.006 0.000 1.196 156 N CA 0.507 53.556 53.050 -0.001 0.000 0.947 156 N CB 0.777 39.265 38.487 0.001 0.000 1.098 156 N HN 0.298 nan 8.380 nan 0.000 0.450 157 M N 0.658 120.266 119.600 0.012 0.000 2.446 157 M HA 0.190 4.670 4.480 -0.000 0.000 0.294 157 M C -0.592 175.714 176.300 0.009 0.000 1.158 157 M CA -0.660 54.647 55.300 0.012 0.000 0.899 157 M CB 2.369 34.978 32.600 0.016 0.000 1.687 157 M HN 0.247 nan 8.290 nan 0.000 0.455 158 T N 3.353 117.908 114.554 0.001 0.000 2.729 158 T HA 0.377 4.727 4.350 -0.000 0.000 0.296 158 T C -2.401 172.275 174.700 -0.040 0.000 0.928 158 T CA -1.000 61.095 62.100 -0.007 0.000 1.045 158 T CB 0.089 68.951 68.868 -0.009 0.000 0.902 158 T HN 0.290 nan 8.240 nan 0.000 0.500 159 P HA 0.339 nan 4.420 nan 0.000 0.275 159 P C -0.911 176.253 177.300 -0.227 0.000 1.227 159 P CA -0.547 62.449 63.100 -0.174 0.000 0.781 159 P CB 0.677 32.246 31.700 -0.219 0.000 0.906 160 V N 4.148 123.887 119.914 -0.291 0.000 2.588 160 V HA 0.525 4.645 4.120 -0.000 0.000 0.304 160 V C -1.666 174.281 176.094 -0.244 0.000 1.042 160 V CA -0.704 61.441 62.300 -0.257 0.000 0.877 160 V CB 0.906 32.503 31.823 -0.376 0.000 0.996 160 V HN 0.329 nan 8.190 nan 0.000 0.425 161 Y N 2.626 122.978 120.300 0.086 0.000 2.387 161 Y HA 0.649 5.199 4.550 -0.000 0.000 0.330 161 Y C 0.894 176.824 175.900 0.050 0.000 1.133 161 Y CA -0.589 57.592 58.100 0.136 0.000 1.152 161 Y CB 2.134 40.771 38.460 0.295 0.000 1.215 161 Y HN 0.597 nan 8.280 nan 0.000 0.466 162 T N 2.461 117.150 114.554 0.225 0.000 2.770 162 T HA 0.355 4.705 4.350 -0.000 0.000 0.297 162 T C 0.409 175.109 174.700 0.000 0.000 0.997 162 T CA -0.823 61.345 62.100 0.114 0.000 0.949 162 T CB 0.401 69.379 68.868 0.185 0.000 0.941 162 T HN 0.935 nan 8.240 nan 0.000 0.457 163 G N 2.368 111.089 108.800 -0.132 0.000 2.353 163 G HA2 0.490 4.450 3.960 -0.000 0.000 0.239 163 G HA3 0.490 4.450 3.960 -0.000 0.000 0.239 163 G C -0.231 174.594 174.900 -0.126 0.000 1.295 163 G CA -0.281 44.674 45.100 -0.242 0.000 0.884 163 G HN 0.953 nan 8.290 nan 0.000 0.537 164 A N 1.918 124.675 122.820 -0.105 0.000 2.566 164 A HA 0.799 5.119 4.320 -0.000 0.000 0.292 164 A C -0.786 176.783 177.584 -0.025 0.000 1.112 164 A CA -0.732 51.280 52.037 -0.042 0.000 0.707 164 A CB 1.354 20.357 19.000 0.005 0.000 1.302 164 A HN 0.708 nan 8.150 nan 0.000 0.409 165 L N 0.962 122.183 121.223 -0.004 0.000 2.322 165 L HA 0.475 4.815 4.340 -0.000 0.000 0.281 165 L C 0.274 177.166 176.870 0.037 0.000 1.014 165 L CA -0.667 54.184 54.840 0.018 0.000 0.815 165 L CB 1.891 43.959 42.059 0.016 0.000 1.247 165 L HN 0.791 nan 8.230 nan 0.000 0.421 166 K N 2.093 122.528 120.400 0.059 0.000 2.402 166 K HA -0.007 4.313 4.320 -0.000 0.000 0.285 166 K C -0.424 176.220 176.600 0.073 0.000 1.054 166 K CA -0.273 56.059 56.287 0.076 0.000 1.001 166 K CB 0.342 32.898 32.500 0.093 0.000 0.946 166 K HN 0.429 nan 8.250 nan 0.000 0.473 167 D N 5.294 125.745 120.400 0.085 0.000 2.359 167 D HA 0.014 4.654 4.640 -0.000 0.000 0.250 167 D C -0.663 175.780 176.300 0.239 0.000 1.264 167 D CA 0.094 54.166 54.000 0.120 0.000 0.911 167 D CB 0.355 41.210 40.800 0.092 0.000 1.056 167 D HN 0.617 nan 8.370 nan 0.000 0.499 168 E N 2.413 122.729 120.200 0.194 0.000 2.454 168 E HA 0.339 4.689 4.350 -0.000 0.000 0.279 168 E C -1.043 175.448 176.600 -0.182 0.000 1.029 168 E CA -1.027 55.474 56.400 0.168 0.000 0.831 168 E CB 0.502 30.277 29.700 0.124 0.000 1.405 168 E HN 0.232 nan 8.360 nan 0.000 0.463 169 L N 1.628 122.617 121.223 -0.390 0.000 2.331 169 L HA 0.479 4.819 4.340 -0.000 0.000 0.278 169 L C -0.047 176.768 176.870 -0.092 0.000 1.106 169 L CA -0.742 53.849 54.840 -0.415 0.000 0.824 169 L CB 1.093 42.868 42.059 -0.472 0.000 1.142 169 L HN 0.491 nan 8.230 nan 0.000 0.443 170 V N 0.341 120.116 119.914 -0.232 0.000 2.962 170 V HA 0.488 4.608 4.120 -0.000 0.000 0.313 170 V C -0.486 175.076 176.094 -0.887 0.000 1.099 170 V CA -1.392 60.645 62.300 -0.439 0.000 0.971 170 V CB 1.749 33.414 31.823 -0.263 0.000 1.028 170 V HN 0.768 nan 8.190 nan 0.000 0.430 171 K N 0.581 120.180 120.400 -1.334 0.000 2.489 171 K HA 0.127 4.447 4.320 -0.000 0.000 0.278 171 K C 1.263 177.644 176.600 -0.364 0.000 1.000 171 K CA 0.522 56.213 56.287 -0.993 0.000 1.012 171 K CB 0.438 32.591 32.500 -0.579 0.000 0.903 171 K HN 1.013 nan 8.250 nan 0.000 0.485 172 T N -1.257 113.218 114.554 -0.131 0.000 2.802 172 T HA -0.273 4.077 4.350 -0.000 0.000 0.269 172 T C 1.380 176.140 174.700 0.099 0.000 1.062 172 T CA 1.697 63.852 62.100 0.092 0.000 1.133 172 T CB -0.375 68.614 68.868 0.202 0.000 0.852 172 T HN 0.752 nan 8.240 nan 0.000 0.485 173 D N 1.563 121.963 120.400 -0.001 0.000 2.190 173 D HA -0.075 4.565 4.640 -0.000 0.000 0.200 173 D C 1.988 178.251 176.300 -0.061 0.000 0.992 173 D CA 1.014 55.008 54.000 -0.010 0.000 0.854 173 D CB -0.222 40.558 40.800 -0.034 0.000 0.936 173 D HN 0.523 nan 8.370 nan 0.000 0.462 174 K N -0.760 119.568 120.400 -0.120 0.000 2.487 174 K HA 0.114 4.434 4.320 -0.000 0.000 0.192 174 K C 1.408 177.890 176.600 -0.196 0.000 1.027 174 K CA 0.206 56.405 56.287 -0.146 0.000 1.054 174 K CB 0.587 32.998 32.500 -0.149 0.000 0.824 174 K HN 0.295 nan 8.250 nan 0.000 0.510 175 I N -1.695 118.724 120.570 -0.251 0.000 3.718 175 I HA -0.051 4.119 4.170 -0.000 0.000 0.297 175 I C 0.838 176.645 176.117 -0.518 0.000 1.220 175 I CA 0.343 61.374 61.300 -0.447 0.000 1.381 175 I CB 0.408 37.994 38.000 -0.690 0.000 1.238 175 I HN 0.006 nan 8.210 nan 0.000 0.448 176 Y N 0.585 120.842 120.300 -0.073 0.000 2.445 176 Y HA 0.433 4.983 4.550 -0.000 0.000 0.247 176 Y C 1.417 177.277 175.900 -0.067 0.000 1.129 176 Y CA -0.106 57.959 58.100 -0.057 0.000 1.251 176 Y CB 0.288 38.727 38.460 -0.035 0.000 1.176 176 Y HN -0.003 nan 8.280 nan 0.000 0.522 177 G N -0.118 108.695 108.800 0.022 0.000 3.407 177 G HA2 0.214 4.174 3.960 -0.000 0.000 0.187 177 G HA3 0.214 4.174 3.960 -0.000 0.000 0.187 177 G C -0.854 174.002 174.900 -0.075 0.000 1.262 177 G CA -0.696 44.395 45.100 -0.015 0.000 0.808 177 G HN -0.097 nan 8.290 nan 0.000 0.687 178 K N 1.108 121.465 120.400 -0.071 0.000 2.336 178 K HA 0.287 4.607 4.320 -0.000 0.000 0.290 178 K C -0.141 176.383 176.600 -0.125 0.000 1.067 178 K CA -0.042 56.191 56.287 -0.092 0.000 0.962 178 K CB -0.645 31.816 32.500 -0.065 0.000 1.008 178 K HN 0.202 nan 8.250 nan 0.000 0.467 179 I N 4.632 125.091 120.570 -0.186 0.000 2.588 179 I HA 0.110 4.280 4.170 -0.000 0.000 0.283 179 I C 0.319 176.343 176.117 -0.156 0.000 1.119 179 I CA 0.304 61.457 61.300 -0.245 0.000 1.419 179 I CB 0.668 38.379 38.000 -0.481 0.000 1.394 179 I HN 0.523 nan 8.210 nan 0.000 0.562 180 K N 5.864 126.196 120.400 -0.113 0.000 2.525 180 K HA 0.546 4.866 4.320 -0.000 0.000 0.254 180 K C -1.170 175.417 176.600 -0.021 0.000 0.934 180 K CA -0.999 55.257 56.287 -0.052 0.000 0.802 180 K CB 2.488 34.962 32.500 -0.043 0.000 1.295 180 K HN 0.379 nan 8.250 nan 0.000 0.433 181 K N 2.107 122.516 120.400 0.015 0.000 2.513 181 K HA 0.348 4.668 4.320 -0.000 0.000 0.251 181 K C -1.049 175.582 176.600 0.051 0.000 0.939 181 K CA -0.758 55.549 56.287 0.035 0.000 0.793 181 K CB 1.814 34.348 32.500 0.057 0.000 1.241 181 K HN 0.446 nan 8.250 nan 0.000 0.431 182 R N 2.036 122.574 120.500 0.063 0.000 2.490 182 R HA 0.165 4.505 4.340 -0.000 0.000 0.280 182 R C -0.247 176.114 176.300 0.102 0.000 1.077 182 R CA -0.697 55.460 56.100 0.096 0.000 1.065 182 R CB 0.431 30.796 30.300 0.109 0.000 1.003 182 R HN 0.313 nan 8.270 nan 0.000 0.470 183 L N 4.501 125.806 121.223 0.137 0.000 2.290 183 L HA 0.301 4.641 4.340 -0.000 0.000 0.284 183 L C -1.038 175.930 176.870 0.162 0.000 1.078 183 L CA 0.276 55.168 54.840 0.087 0.000 0.815 183 L CB 0.600 42.691 42.059 0.054 0.000 1.162 183 L HN 0.431 nan 8.230 nan 0.000 0.435 184 L N 4.493 125.770 121.223 0.090 0.000 2.334 184 L HA 0.433 4.773 4.340 -0.000 0.000 0.272 184 L C -1.203 175.740 176.870 0.120 0.000 1.020 184 L CA -0.520 54.437 54.840 0.196 0.000 0.812 184 L CB 1.524 43.673 42.059 0.150 0.000 1.264 184 L HN 0.633 nan 8.230 nan 0.000 0.439 185 W N 1.163 122.474 121.300 0.017 0.000 2.394 185 W HA 0.467 5.127 4.660 -0.000 0.000 0.312 185 W C 0.551 177.196 176.519 0.211 0.000 0.981 185 W CA -0.917 56.444 57.345 0.027 0.000 1.519 185 W CB 1.215 30.523 29.460 -0.253 0.000 1.304 185 W HN 0.475 nan 8.180 nan 0.000 0.412 186 G N 2.601 111.603 108.800 0.336 0.000 2.367 186 G HA2 0.306 4.266 3.960 -0.000 0.000 0.282 186 G HA3 0.306 4.266 3.960 -0.000 0.000 0.282 186 G C 0.518 175.617 174.900 0.332 0.000 1.140 186 G CA -0.338 44.934 45.100 0.285 0.000 1.088 186 G HN 0.341 nan 8.290 nan 0.000 0.431 187 S N 2.327 118.218 115.700 0.319 0.000 2.596 187 S HA 0.265 4.735 4.470 -0.000 0.000 0.260 187 S C 0.274 174.904 174.600 0.050 0.000 1.336 187 S CA -0.606 57.682 58.200 0.148 0.000 0.993 187 S CB 1.235 64.531 63.200 0.161 0.000 0.923 187 S HN 0.749 nan 8.310 nan 0.000 0.567 188 D N -0.073 120.299 120.400 -0.046 0.000 2.277 188 D HA 0.138 4.778 4.640 -0.000 0.000 0.250 188 D C 1.017 177.301 176.300 -0.026 0.000 1.032 188 D CA -0.830 53.152 54.000 -0.031 0.000 0.947 188 D CB 1.164 41.940 40.800 -0.039 0.000 1.159 188 D HN 0.405 nan 8.370 nan 0.000 0.460 189 L N 1.878 123.072 121.223 -0.049 0.000 2.127 189 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 189 L C 2.303 179.162 176.870 -0.019 0.000 1.089 189 L CA 2.155 56.954 54.840 -0.069 0.000 0.757 189 L CB -0.835 41.122 42.059 -0.169 0.000 0.899 189 L HN 0.675 nan 8.230 nan 0.000 0.434 190 A N -1.794 121.021 122.820 -0.008 0.000 1.873 190 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 190 A C 2.259 179.859 177.584 0.026 0.000 1.186 190 A CA 2.074 54.123 52.037 0.020 0.000 0.616 190 A CB -1.133 17.876 19.000 0.015 0.000 0.823 190 A HN 0.462 nan 8.150 nan 0.000 0.442 191 T N 0.154 114.710 114.554 0.003 0.000 2.720 191 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 191 T C 1.948 176.676 174.700 0.047 0.000 1.037 191 T CA 1.900 64.007 62.100 0.012 0.000 1.144 191 T CB -0.341 68.503 68.868 -0.040 0.000 0.864 191 T HN 0.428 nan 8.240 nan 0.000 0.444 192 M N 0.469 120.100 119.600 0.052 0.000 2.065 192 M HA -0.067 4.413 4.480 -0.000 0.000 0.259 192 M C 2.373 178.729 176.300 0.094 0.000 1.069 192 M CA 1.695 57.043 55.300 0.081 0.000 1.110 192 M CB -0.548 32.094 32.600 0.070 0.000 1.328 192 M HN 0.373 nan 8.290 nan 0.000 0.405 193 I N -1.282 119.348 120.570 0.100 0.000 2.546 193 I HA -0.146 4.024 4.170 -0.000 0.000 0.255 193 I C 2.207 178.337 176.117 0.022 0.000 1.163 193 I CA 1.558 62.935 61.300 0.129 0.000 1.457 193 I CB -0.357 37.794 38.000 0.252 0.000 1.092 193 I HN 0.081 nan 8.210 nan 0.000 0.434 194 R N -0.014 120.487 120.500 0.002 0.000 2.062 194 R HA -0.024 4.316 4.340 -0.000 0.000 0.226 194 R C 2.357 178.585 176.300 -0.120 0.000 1.125 194 R CA 1.766 57.827 56.100 -0.065 0.000 0.966 194 R CB -0.627 29.700 30.300 0.045 0.000 0.861 194 R HN 0.508 nan 8.270 nan 0.000 0.433 195 C N 0.010 119.304 119.300 -0.009 0.000 2.401 195 C HA -0.135 4.325 4.460 -0.000 0.000 0.276 195 C C 2.805 177.777 174.990 -0.030 0.000 1.233 195 C CA 0.972 60.015 59.018 0.042 0.000 1.753 195 C CB -0.967 26.853 27.740 0.134 0.000 2.029 195 C HN 0.662 nan 8.230 nan 0.000 0.478 196 A N 0.305 123.123 122.820 -0.003 0.000 1.873 196 A HA -0.162 4.157 4.320 -0.000 0.000 0.215 196 A C 2.277 179.822 177.584 -0.064 0.000 1.186 196 A CA 1.300 53.369 52.037 0.055 0.000 0.616 196 A CB -0.517 18.661 19.000 0.297 0.000 0.823 196 A HN 0.647 nan 8.150 nan 0.000 0.442 197 R N -0.620 119.751 120.500 -0.215 0.000 2.148 197 R HA -0.027 4.313 4.340 -0.000 0.000 0.227 197 R C 2.367 178.322 176.300 -0.575 0.000 1.103 197 R CA 1.048 56.856 56.100 -0.486 0.000 0.983 197 R CB -0.378 29.228 30.300 -1.157 0.000 0.874 197 R HN 0.533 nan 8.270 nan 0.000 0.451 198 A N 0.156 122.633 122.820 -0.572 0.000 1.897 198 A HA -0.054 4.266 4.320 -0.000 0.000 0.215 198 A C 1.174 178.245 177.584 -0.855 0.000 1.181 198 A CA 1.097 52.746 52.037 -0.646 0.000 0.620 198 A CB 0.013 18.445 19.000 -0.947 0.000 0.821 198 A HN 0.251 nan 8.150 nan 0.000 0.443 199 F N -1.702 118.118 119.950 -0.218 0.000 2.856 199 F HA 0.281 4.808 4.527 -0.000 0.000 0.338 199 F C 2.129 177.638 175.800 -0.485 0.000 1.100 199 F CA -0.468 57.376 58.000 -0.259 0.000 1.150 199 F CB -0.499 38.392 39.000 -0.181 0.000 1.101 199 F HN 0.193 nan 8.300 nan 0.000 0.548 200 G N 0.938 109.279 108.800 -0.765 0.000 2.491 200 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 200 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 200 G C 2.036 176.055 174.900 -1.469 0.000 1.180 200 G CA 1.221 45.217 45.100 -1.841 0.000 0.774 200 G HN 0.468 nan 8.290 nan 0.000 0.562 201 G N 0.533 108.615 108.800 -1.197 0.000 2.442 201 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.219 201 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.219 201 G C 1.752 176.579 174.900 -0.122 0.000 1.141 201 G CA 1.119 46.010 45.100 -0.348 0.000 0.763 201 G HN 0.424 nan 8.290 nan 0.000 0.554 202 L N 0.384 121.541 121.223 -0.111 0.000 2.017 202 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 202 L C 2.672 179.537 176.870 -0.009 0.000 1.073 202 L CA 1.638 56.484 54.840 0.010 0.000 0.745 202 L CB -0.399 41.720 42.059 0.101 0.000 0.894 202 L HN 0.097 nan 8.230 nan 0.000 0.432 203 M N -0.952 118.609 119.600 -0.066 0.000 2.159 203 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 203 M C 1.944 178.252 176.300 0.014 0.000 1.063 203 M CA 1.312 56.592 55.300 -0.032 0.000 1.110 203 M CB -1.482 31.086 32.600 -0.052 0.000 1.374 203 M HN 0.230 nan 8.290 nan 0.000 0.411 204 D N 0.286 120.703 120.400 0.028 0.000 2.117 204 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 204 D C 2.039 178.383 176.300 0.073 0.000 0.987 204 D CA 1.250 55.312 54.000 0.103 0.000 0.829 204 D CB -0.050 40.871 40.800 0.201 0.000 0.961 204 D HN 0.359 nan 8.370 nan 0.000 0.460 205 E N 0.170 120.412 120.200 0.071 0.000 2.072 205 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 205 E C 2.126 178.798 176.600 0.120 0.000 0.982 205 E CA 0.603 57.060 56.400 0.095 0.000 0.803 205 E CB -0.313 29.455 29.700 0.114 0.000 0.755 205 E HN 0.228 nan 8.360 nan 0.000 0.453 206 L N 0.501 121.774 121.223 0.082 0.000 2.042 206 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 206 L C 2.616 179.523 176.870 0.063 0.000 1.076 206 L CA 1.804 56.690 54.840 0.077 0.000 0.749 206 L CB -0.505 41.577 42.059 0.038 0.000 0.893 206 L HN 0.171 nan 8.230 nan 0.000 0.432 207 K N -0.115 120.307 120.400 0.036 0.000 2.057 207 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 207 K C 1.926 178.516 176.600 -0.018 0.000 1.049 207 K CA 1.891 58.190 56.287 0.020 0.000 0.931 207 K CB -0.170 32.351 32.500 0.036 0.000 0.714 207 K HN 0.090 nan 8.250 nan 0.000 0.440 208 T N 0.402 114.914 114.554 -0.070 0.000 2.849 208 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 208 T C 0.749 175.239 174.700 -0.350 0.000 1.066 208 T CA 1.193 63.159 62.100 -0.222 0.000 1.130 208 T CB -0.246 68.435 68.868 -0.311 0.000 0.864 208 T HN 0.367 nan 8.240 nan 0.000 0.481 209 H N -0.226 118.842 119.070 -0.004 0.000 2.487 209 H HA 0.214 4.770 4.556 0.000 0.000 0.290 209 H C 2.065 177.374 175.328 -0.032 0.000 1.081 209 H CA -0.187 55.850 56.048 -0.018 0.000 1.116 209 H CB -0.528 29.221 29.762 -0.022 0.000 1.560 209 H HN 0.544 nan 8.280 nan 0.000 0.548 210 C N -1.302 118.019 119.300 0.036 0.000 2.437 210 C HA 0.014 4.474 4.460 -0.000 0.000 0.283 210 C C 2.288 177.267 174.990 -0.018 0.000 1.424 210 C CA -0.131 58.893 59.018 0.010 0.000 1.782 210 C CB -1.401 26.347 27.740 0.014 0.000 1.833 210 C HN 0.205 nan 8.230 nan 0.000 0.532 211 V N 2.328 122.231 119.914 -0.019 0.000 2.719 211 V HA -0.068 4.052 4.120 -0.000 0.000 0.252 211 V C 2.835 178.894 176.094 -0.060 0.000 1.065 211 V CA 2.379 64.651 62.300 -0.046 0.000 1.086 211 V CB -0.508 31.291 31.823 -0.040 0.000 0.700 211 V HN 0.877 nan 8.190 nan 0.000 0.467 212 T N -3.824 110.710 114.554 -0.033 0.000 2.978 212 T HA 0.233 4.583 4.350 -0.000 0.000 0.248 212 T C 0.492 175.129 174.700 -0.106 0.000 1.018 212 T CA -0.148 61.916 62.100 -0.061 0.000 1.026 212 T CB 0.073 68.931 68.868 -0.015 0.000 1.032 212 T HN 0.083 nan 8.240 nan 0.000 0.485 213 L N 3.040 124.213 121.223 -0.082 0.000 2.417 213 L HA 0.425 4.765 4.340 -0.000 0.000 0.268 213 L C -1.601 175.107 176.870 -0.269 0.000 1.158 213 L CA -2.297 52.456 54.840 -0.144 0.000 0.819 213 L CB 1.382 43.413 42.059 -0.046 0.000 1.112 213 L HN -0.089 nan 8.230 nan 0.000 0.458 214 P HA -0.047 nan 4.420 nan 0.000 0.220 214 P C 0.114 177.228 177.300 -0.310 0.000 1.148 214 P CA 1.045 63.789 63.100 -0.592 0.000 0.803 214 P CB 0.102 31.133 31.700 -1.115 0.000 0.782 215 I N 0.612 121.068 120.570 -0.189 0.000 2.483 215 I HA 0.027 4.197 4.170 -0.000 0.000 0.291 215 I C 1.417 177.513 176.117 -0.035 0.000 1.112 215 I CA 0.081 61.367 61.300 -0.022 0.000 1.350 215 I CB 0.336 38.364 38.000 0.047 0.000 1.419 215 I HN -0.188 nan 8.210 nan 0.000 0.523 216 R N 4.715 125.220 120.500 0.008 0.000 2.334 216 R HA 0.137 4.477 4.340 -0.000 0.000 0.216 216 R C 0.233 176.564 176.300 0.052 0.000 0.905 216 R CA -0.110 56.044 56.100 0.090 0.000 1.064 216 R CB -0.274 30.218 30.300 0.321 0.000 1.046 216 R HN 0.549 nan 8.270 nan 0.000 0.508 217 V N -0.161 119.622 119.914 -0.218 0.000 2.585 217 V HA 0.450 4.570 4.120 -0.000 0.000 0.296 217 V C 1.076 177.160 176.094 -0.018 0.000 1.035 217 V CA 1.158 63.259 62.300 -0.332 0.000 1.084 217 V CB 0.820 32.240 31.823 -0.671 0.000 0.953 217 V HN 0.652 nan 8.190 nan 0.000 0.483 218 G N 4.138 113.007 108.800 0.114 0.000 2.195 218 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.224 218 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.224 218 G C 0.147 175.107 174.900 0.100 0.000 0.990 218 G CA 0.159 45.318 45.100 0.099 0.000 0.639 218 G HN 1.716 nan 8.290 nan 0.000 0.514 219 M N 0.138 119.814 119.600 0.128 0.000 2.243 219 M HA 0.498 4.978 4.480 -0.000 0.000 0.341 219 M C -0.029 176.316 176.300 0.075 0.000 1.130 219 M CA -0.205 55.147 55.300 0.086 0.000 1.162 219 M CB 0.719 33.377 32.600 0.097 0.000 1.497 219 M HN 0.061 nan 8.290 nan 0.000 0.456 220 N N 3.018 121.737 118.700 0.032 0.000 2.426 220 N HA 0.120 4.860 4.740 -0.000 0.000 0.257 220 N C 0.225 175.723 175.510 -0.019 0.000 1.002 220 N CA -0.342 52.722 53.050 0.023 0.000 0.942 220 N CB 1.259 39.756 38.487 0.016 0.000 1.112 220 N HN 0.858 nan 8.380 nan 0.000 0.499 221 M N 4.491 124.083 119.600 -0.013 0.000 2.082 221 M HA -0.170 4.310 4.480 -0.000 0.000 0.258 221 M C 1.256 177.507 176.300 -0.082 0.000 1.069 221 M CA 1.890 57.167 55.300 -0.037 0.000 1.102 221 M CB -0.845 31.744 32.600 -0.019 0.000 1.336 221 M HN 0.537 nan 8.290 nan 0.000 0.404 222 N N 0.003 118.630 118.700 -0.121 0.000 2.058 222 N HA -0.136 4.604 4.740 -0.000 0.000 0.191 222 N C 1.615 177.049 175.510 -0.127 0.000 1.037 222 N CA 1.959 54.910 53.050 -0.164 0.000 0.848 222 N CB -0.116 38.239 38.487 -0.219 0.000 1.021 222 N HN 0.573 nan 8.380 nan 0.000 0.422 223 E N -0.566 119.575 120.200 -0.097 0.000 2.075 223 E HA -0.023 4.327 4.350 -0.000 0.000 0.190 223 E C 0.776 177.324 176.600 -0.087 0.000 0.969 223 E CA 0.854 57.203 56.400 -0.086 0.000 0.815 223 E CB 0.093 29.757 29.700 -0.060 0.000 0.776 223 E HN 0.338 nan 8.360 nan 0.000 0.457 224 D N 0.209 120.550 120.400 -0.099 0.000 2.249 224 D HA -0.022 4.618 4.640 -0.000 0.000 0.205 224 D C 1.930 178.085 176.300 -0.243 0.000 0.962 224 D CA 0.810 54.733 54.000 -0.129 0.000 0.860 224 D CB -0.410 40.331 40.800 -0.099 0.000 0.955 224 D HN 0.200 nan 8.370 nan 0.000 0.505 225 G N 2.395 111.009 108.800 -0.310 0.000 2.553 225 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 225 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 225 G C -0.695 173.878 174.900 -0.545 0.000 1.195 225 G CA 0.774 45.481 45.100 -0.654 0.000 0.779 225 G HN 0.288 nan 8.290 nan 0.000 0.577 226 P HA -0.105 nan 4.420 nan 0.000 0.216 226 P C 1.943 179.256 177.300 0.022 0.000 1.154 226 P CA 0.995 64.139 63.100 0.074 0.000 0.865 226 P CB -0.104 31.648 31.700 0.088 0.000 0.789 227 I N -1.600 118.931 120.570 -0.064 0.000 2.163 227 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 227 I C 2.338 178.393 176.117 -0.102 0.000 1.081 227 I CA 1.450 62.715 61.300 -0.058 0.000 1.353 227 I CB -0.580 37.381 38.000 -0.065 0.000 1.054 227 I HN -0.137 nan 8.210 nan 0.000 0.407 228 I N 0.090 120.532 120.570 -0.213 0.000 2.179 228 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 228 I C 2.296 178.385 176.117 -0.046 0.000 1.088 228 I CA 1.503 62.683 61.300 -0.200 0.000 1.357 228 I CB -0.296 37.506 38.000 -0.330 0.000 1.051 228 I HN 0.071 nan 8.210 nan 0.000 0.409 229 F N 0.513 120.393 119.950 -0.117 0.000 2.186 229 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 229 F C 2.575 178.024 175.800 -0.585 0.000 1.090 229 F CA 0.915 58.717 58.000 -0.331 0.000 1.307 229 F CB -1.024 37.811 39.000 -0.276 0.000 1.019 229 F HN 0.114 nan 8.300 nan 0.000 0.489 230 E N 0.582 120.664 120.200 -0.198 0.000 2.077 230 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 230 E C 2.473 179.001 176.600 -0.121 0.000 0.989 230 E CA 0.772 57.055 56.400 -0.196 0.000 0.800 230 E CB -0.064 29.705 29.700 0.114 0.000 0.746 230 E HN 0.220 nan 8.360 nan 0.000 0.452 231 R N -0.157 120.305 120.500 -0.064 0.000 2.081 231 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 231 R C 2.314 178.617 176.300 0.005 0.000 1.131 231 R CA 1.017 57.094 56.100 -0.039 0.000 0.960 231 R CB -0.665 29.582 30.300 -0.087 0.000 0.856 231 R HN 0.451 nan 8.270 nan 0.000 0.436 232 H N 0.074 119.076 119.070 -0.113 0.000 2.352 232 H HA -0.100 4.455 4.556 -0.000 0.000 0.299 232 H C 2.216 177.575 175.328 0.051 0.000 1.097 232 H CA 2.066 58.055 56.048 -0.098 0.000 1.311 232 H CB -0.062 29.558 29.762 -0.236 0.000 1.377 232 H HN 0.279 nan 8.280 nan 0.000 0.504 233 S N 1.598 117.248 115.700 -0.085 0.000 2.419 233 S HA -0.137 4.333 4.470 -0.000 0.000 0.233 233 S C 1.823 176.487 174.600 0.107 0.000 1.016 233 S CA 0.695 58.827 58.200 -0.114 0.000 0.974 233 S CB -0.267 62.692 63.200 -0.401 0.000 0.786 233 S HN 0.509 nan 8.310 nan 0.000 0.492 234 R N -0.143 120.399 120.500 0.070 0.000 2.328 234 R HA 0.167 4.507 4.340 -0.000 0.000 0.200 234 R C -0.577 175.586 176.300 -0.229 0.000 0.983 234 R CA 0.010 56.070 56.100 -0.067 0.000 1.062 234 R CB -0.640 29.569 30.300 -0.152 0.000 0.956 234 R HN 0.470 nan 8.270 nan 0.000 0.479 235 Y N 0.741 121.010 120.300 -0.052 0.000 2.419 235 Y HA 0.358 4.908 4.550 -0.000 0.000 0.328 235 Y C 1.645 177.396 175.900 -0.249 0.000 1.162 235 Y CA -1.065 56.945 58.100 -0.149 0.000 1.174 235 Y CB 1.289 39.632 38.460 -0.194 0.000 1.228 235 Y HN -0.288 nan 8.280 nan 0.000 0.473 236 R N 0.786 121.163 120.500 -0.205 0.000 2.075 236 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 236 R C -0.692 175.179 176.300 -0.715 0.000 1.126 236 R CA 1.240 57.037 56.100 -0.504 0.000 0.963 236 R CB -0.108 29.727 30.300 -0.775 0.000 0.858 236 R HN 0.512 nan 8.270 nan 0.000 0.435 237 Y N -0.245 119.870 120.300 -0.308 0.000 2.468 237 Y HA 0.402 4.952 4.550 -0.000 0.000 0.342 237 Y C 0.136 175.682 175.900 -0.591 0.000 1.021 237 Y CA -0.920 57.002 58.100 -0.296 0.000 1.079 237 Y CB 1.556 39.986 38.460 -0.051 0.000 1.226 237 Y HN -0.030 nan 8.280 nan 0.000 0.460 238 H N 2.013 121.227 119.070 0.240 0.000 2.894 238 H HA 0.407 4.963 4.556 0.000 0.000 0.367 238 H C -1.643 173.793 175.328 0.179 0.000 1.144 238 H CA -0.972 55.139 56.048 0.105 0.000 1.180 238 H CB 2.546 32.310 29.762 0.003 0.000 1.758 238 H HN 0.768 nan 8.280 nan 0.000 0.541 239 Y N -0.208 120.193 120.300 0.169 0.000 2.571 239 Y HA 0.383 4.933 4.550 0.000 0.000 0.341 239 Y C -1.299 174.656 175.900 0.093 0.000 1.076 239 Y CA -1.278 56.890 58.100 0.113 0.000 1.029 239 Y CB 1.772 40.292 38.460 0.100 0.000 1.308 239 Y HN 0.485 nan 8.280 nan 0.000 0.461 240 D N 1.709 122.266 120.400 0.261 0.000 2.849 240 D HA 0.419 5.059 4.640 -0.000 0.000 0.314 240 D C -0.508 175.919 176.300 0.211 0.000 1.210 240 D CA -0.204 53.892 54.000 0.160 0.000 0.756 240 D CB 0.381 41.214 40.800 0.056 0.000 1.222 240 D HN 0.952 nan 8.370 nan 0.000 0.521 241 A N 0.943 123.952 122.820 0.315 0.000 2.483 241 A HA 0.292 4.612 4.320 -0.000 0.000 0.238 241 A C 0.150 177.741 177.584 0.011 0.000 1.070 241 A CA 0.100 52.185 52.037 0.081 0.000 0.770 241 A CB 0.377 19.344 19.000 -0.055 0.000 1.008 241 A HN 0.348 nan 8.150 nan 0.000 0.497 242 D N -0.469 119.861 120.400 -0.116 0.000 2.294 242 D HA 0.579 5.219 4.640 -0.000 0.000 0.250 242 D C -1.086 175.042 176.300 -0.287 0.000 1.058 242 D CA 0.641 54.612 54.000 -0.049 0.000 0.950 242 D CB 0.698 41.492 40.800 -0.011 0.000 1.158 242 D HN 0.400 nan 8.370 nan 0.000 0.453 243 Y N -0.328 120.059 120.300 0.145 0.000 2.442 243 Y HA 0.315 4.865 4.550 -0.000 0.000 0.344 243 Y C 0.261 176.250 175.900 0.148 0.000 0.976 243 Y CA -0.820 57.394 58.100 0.189 0.000 1.040 243 Y CB 1.846 40.542 38.460 0.393 0.000 1.228 243 Y HN 0.074 nan 8.280 nan 0.000 0.451 244 S N 2.450 118.284 115.700 0.223 0.000 2.537 244 S HA 0.318 4.788 4.470 -0.000 0.000 0.275 244 S C 0.212 174.893 174.600 0.134 0.000 1.272 244 S CA -0.797 57.485 58.200 0.137 0.000 1.050 244 S CB 0.424 63.663 63.200 0.065 0.000 0.961 244 S HN 0.706 nan 8.310 nan 0.000 0.496 245 R N 1.143 121.704 120.500 0.103 0.000 3.301 245 R HA -0.202 4.138 4.340 -0.000 0.000 0.249 245 R C 0.955 177.270 176.300 0.026 0.000 0.964 245 R CA 0.464 56.589 56.100 0.042 0.000 0.653 245 R CB -1.265 29.009 30.300 -0.044 0.000 1.043 245 R HN 0.867 nan 8.270 nan 0.000 0.454 246 W N 1.139 122.405 121.300 -0.058 0.000 2.301 246 W HA -0.301 4.359 4.660 -0.000 0.000 0.325 246 W C 1.030 177.428 176.519 -0.203 0.000 1.250 246 W CA 2.303 59.575 57.345 -0.121 0.000 1.261 246 W CB -0.277 29.116 29.460 -0.111 0.000 1.157 246 W HN 0.315 nan 8.180 nan 0.000 0.473 247 D N 0.014 120.456 120.400 0.069 0.000 2.149 247 D HA -0.191 4.449 4.640 -0.000 0.000 0.198 247 D C 2.380 178.447 176.300 -0.388 0.000 0.990 247 D CA 2.386 56.331 54.000 -0.091 0.000 0.839 247 D CB -0.816 40.024 40.800 0.066 0.000 0.948 247 D HN 0.249 nan 8.370 nan 0.000 0.460 248 S N -0.425 114.921 115.700 -0.589 0.000 2.522 248 S HA -0.064 4.406 4.470 -0.000 0.000 0.227 248 S C 1.735 175.937 174.600 -0.664 0.000 0.986 248 S CA 1.184 58.696 58.200 -1.148 0.000 0.929 248 S CB -0.434 61.980 63.200 -1.311 0.000 0.769 248 S HN 0.302 nan 8.310 nan 0.000 0.529 249 T N -1.923 112.327 114.554 -0.507 0.000 3.086 249 T HA 0.227 4.577 4.350 -0.000 0.000 0.250 249 T C 0.478 174.892 174.700 -0.477 0.000 1.074 249 T CA -0.372 61.473 62.100 -0.425 0.000 0.988 249 T CB -0.156 68.492 68.868 -0.367 0.000 0.988 249 T HN 0.140 nan 8.240 nan 0.000 0.530 250 Q N 2.387 121.854 119.800 -0.555 0.000 2.364 250 Q HA 0.267 4.607 4.340 -0.000 0.000 0.267 250 Q C -0.161 175.634 176.000 -0.342 0.000 0.999 250 Q CA 0.472 55.961 55.803 -0.523 0.000 0.886 250 Q CB 0.544 28.965 28.738 -0.529 0.000 1.243 250 Q HN 0.632 nan 8.270 nan 0.000 0.415 251 Q N 2.171 121.794 119.800 -0.295 0.000 2.257 251 Q HA 0.293 4.633 4.340 -0.000 0.000 0.255 251 Q C 0.897 176.802 176.000 -0.159 0.000 0.920 251 Q CA -0.744 54.940 55.803 -0.198 0.000 0.927 251 Q CB 1.495 30.122 28.738 -0.184 0.000 1.229 251 Q HN 0.312 nan 8.270 nan 0.000 0.433 252 R N 1.371 121.810 120.500 -0.102 0.000 2.105 252 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 252 R C 1.858 178.146 176.300 -0.019 0.000 1.135 252 R CA 1.425 57.499 56.100 -0.042 0.000 0.967 252 R CB -0.630 29.668 30.300 -0.004 0.000 0.861 252 R HN 0.792 nan 8.270 nan 0.000 0.442 253 A N 0.715 123.507 122.820 -0.048 0.000 1.908 253 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 253 A C 2.474 180.025 177.584 -0.055 0.000 1.181 253 A CA 1.747 53.756 52.037 -0.047 0.000 0.627 253 A CB -0.590 18.369 19.000 -0.068 0.000 0.818 253 A HN 0.120 nan 8.150 nan 0.000 0.445 254 V N 0.137 119.993 119.914 -0.095 0.000 2.307 254 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 254 V C 2.544 178.626 176.094 -0.020 0.000 1.045 254 V CA 1.829 64.069 62.300 -0.100 0.000 1.024 254 V CB -0.736 30.980 31.823 -0.178 0.000 0.651 254 V HN 0.579 nan 8.190 nan 0.000 0.449 255 L N 0.192 121.414 121.223 -0.003 0.000 2.127 255 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 255 L C 2.730 179.797 176.870 0.328 0.000 1.089 255 L CA 1.521 56.470 54.840 0.182 0.000 0.757 255 L CB -0.912 41.187 42.059 0.066 0.000 0.899 255 L HN 0.378 nan 8.230 nan 0.000 0.434 256 A N 0.320 123.233 122.820 0.155 0.000 1.877 256 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 256 A C 2.593 180.208 177.584 0.051 0.000 1.186 256 A CA 1.804 53.898 52.037 0.096 0.000 0.620 256 A CB -0.716 18.311 19.000 0.045 0.000 0.822 256 A HN 0.393 nan 8.150 nan 0.000 0.443 257 A N -0.119 122.719 122.820 0.029 0.000 1.908 257 A HA 0.113 4.433 4.320 -0.000 0.000 0.218 257 A C 2.526 180.116 177.584 0.010 0.000 1.181 257 A CA 2.293 54.328 52.037 -0.002 0.000 0.627 257 A CB -1.097 17.884 19.000 -0.031 0.000 0.818 257 A HN 1.118 nan 8.150 nan 0.000 0.445 258 A N -0.342 122.520 122.820 0.069 0.000 1.883 258 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 258 A C 2.192 179.773 177.584 -0.004 0.000 1.186 258 A CA 1.591 53.691 52.037 0.105 0.000 0.624 258 A CB -0.636 18.547 19.000 0.304 0.000 0.822 258 A HN 0.482 nan 8.150 nan 0.000 0.444 259 L N -0.904 120.283 121.223 -0.059 0.000 2.083 259 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 259 L C 2.614 179.401 176.870 -0.137 0.000 1.083 259 L CA 1.592 56.268 54.840 -0.274 0.000 0.752 259 L CB -0.508 41.376 42.059 -0.292 0.000 0.899 259 L HN 0.508 nan 8.230 nan 0.000 0.433 260 E N 0.247 120.413 120.200 -0.055 0.000 2.051 260 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 260 E C 2.229 178.817 176.600 -0.021 0.000 0.991 260 E CA 1.228 57.610 56.400 -0.030 0.000 0.799 260 E CB -0.108 29.576 29.700 -0.026 0.000 0.748 260 E HN 0.433 nan 8.360 nan 0.000 0.449 261 I N 0.660 121.226 120.570 -0.005 0.000 2.151 261 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 261 I C 2.493 178.700 176.117 0.150 0.000 1.080 261 I CA 1.283 62.627 61.300 0.073 0.000 1.339 261 I CB -0.190 37.846 38.000 0.059 0.000 1.039 261 I HN 0.174 nan 8.210 nan 0.000 0.409 262 M N -0.456 119.154 119.600 0.016 0.000 2.117 262 M HA -0.187 4.293 4.480 -0.000 0.000 0.262 262 M C 2.342 178.742 176.300 0.167 0.000 1.065 262 M CA 1.522 56.801 55.300 -0.033 0.000 1.114 262 M CB -0.260 32.043 32.600 -0.494 0.000 1.361 262 M HN 0.086 nan 8.290 nan 0.000 0.408 263 V N 0.255 120.262 119.914 0.156 0.000 2.295 263 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 263 V C 2.229 178.369 176.094 0.077 0.000 1.049 263 V CA 1.944 64.371 62.300 0.211 0.000 1.024 263 V CB -0.679 31.216 31.823 0.119 0.000 0.648 263 V HN 0.440 nan 8.190 nan 0.000 0.447 264 K N -0.522 119.854 120.400 -0.040 0.000 2.113 264 K HA -0.197 4.122 4.320 -0.000 0.000 0.208 264 K C 1.606 178.004 176.600 -0.338 0.000 1.047 264 K CA 2.002 58.140 56.287 -0.248 0.000 0.928 264 K CB -0.200 32.044 32.500 -0.428 0.000 0.716 264 K HN 0.453 nan 8.250 nan 0.000 0.446 265 F N 0.375 120.357 119.950 0.054 0.000 2.695 265 F HA 0.150 4.677 4.527 -0.000 0.000 0.303 265 F C 0.783 176.632 175.800 0.081 0.000 1.091 265 F CA -0.322 57.713 58.000 0.057 0.000 1.300 265 F CB 0.074 39.100 39.000 0.044 0.000 1.071 265 F HN -0.102 nan 8.300 nan 0.000 0.578 266 S N -0.339 115.502 115.700 0.234 0.000 2.584 266 S HA 0.045 4.515 4.470 -0.000 0.000 0.270 266 S C 1.527 176.189 174.600 0.104 0.000 1.346 266 S CA -0.024 58.281 58.200 0.176 0.000 1.018 266 S CB 1.144 64.425 63.200 0.135 0.000 0.899 266 S HN 0.288 nan 8.310 nan 0.000 0.542 267 S N 0.229 115.974 115.700 0.075 0.000 2.423 267 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 267 S C 0.099 174.744 174.600 0.074 0.000 1.014 267 S CA 0.586 58.835 58.200 0.082 0.000 0.965 267 S CB -0.596 62.657 63.200 0.089 0.000 0.785 267 S HN 0.828 nan 8.310 nan 0.000 0.495 268 E N 1.104 121.324 120.200 0.032 0.000 3.132 268 E HA 0.340 4.690 4.350 -0.000 0.000 0.241 268 E C -2.470 174.065 176.600 -0.109 0.000 1.196 268 E CA -1.778 54.609 56.400 -0.020 0.000 0.869 268 E CB 1.735 31.366 29.700 -0.115 0.000 1.387 268 E HN 0.158 nan 8.360 nan 0.000 0.393 269 P HA -0.253 nan 4.420 nan 0.000 0.216 269 P C 1.187 178.468 177.300 -0.033 0.000 1.150 269 P CA 1.271 64.373 63.100 0.003 0.000 0.837 269 P CB 0.053 31.773 31.700 0.034 0.000 0.786 270 H N -0.895 118.127 119.070 -0.081 0.000 2.457 270 H HA 0.013 4.569 4.556 -0.000 0.000 0.294 270 H C 1.676 176.916 175.328 -0.147 0.000 1.064 270 H CA 1.034 57.024 56.048 -0.097 0.000 1.330 270 H CB -1.183 28.525 29.762 -0.090 0.000 1.395 270 H HN 0.180 nan 8.280 nan 0.000 0.541 271 L N 0.408 121.171 121.223 -0.767 0.000 2.168 271 L HA 0.195 4.535 4.340 -0.000 0.000 0.203 271 L C 3.027 179.633 176.870 -0.439 0.000 1.078 271 L CA 0.683 55.090 54.840 -0.721 0.000 0.780 271 L CB -0.388 40.984 42.059 -1.146 0.000 0.939 271 L HN 0.275 nan 8.230 nan 0.000 0.451 272 A N 0.645 123.272 122.820 -0.321 0.000 2.125 272 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 272 A C 2.236 179.748 177.584 -0.119 0.000 1.156 272 A CA 1.577 53.452 52.037 -0.270 0.000 0.671 272 A CB -0.471 18.299 19.000 -0.384 0.000 0.794 272 A HN 0.648 nan 8.150 nan 0.000 0.459 273 Q N -0.762 118.994 119.800 -0.073 0.000 2.212 273 Q HA -0.008 4.332 4.340 -0.000 0.000 0.199 273 Q C 1.553 177.545 176.000 -0.013 0.000 0.950 273 Q CA 1.322 57.122 55.803 -0.004 0.000 0.863 273 Q CB -0.589 28.145 28.738 -0.006 0.000 0.944 273 Q HN 0.248 nan 8.270 nan 0.000 0.465 274 V N 1.329 121.211 119.914 -0.053 0.000 2.255 274 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 274 V C 2.419 178.511 176.094 -0.003 0.000 1.051 274 V CA 1.823 64.099 62.300 -0.039 0.000 1.018 274 V CB -0.627 31.148 31.823 -0.080 0.000 0.641 274 V HN 0.303 nan 8.190 nan 0.000 0.445 275 V N 0.443 120.359 119.914 0.004 0.000 2.287 275 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 275 V C 2.756 178.895 176.094 0.074 0.000 1.053 275 V CA 2.185 64.513 62.300 0.047 0.000 1.027 275 V CB -1.388 30.453 31.823 0.031 0.000 0.646 275 V HN 0.568 nan 8.190 nan 0.000 0.447 276 A N 0.779 123.662 122.820 0.104 0.000 1.908 276 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 276 A C 2.286 179.877 177.584 0.013 0.000 1.181 276 A CA 2.142 54.217 52.037 0.063 0.000 0.627 276 A CB -0.594 18.466 19.000 0.101 0.000 0.818 276 A HN 0.808 nan 8.150 nan 0.000 0.445 277 E N -0.592 119.623 120.200 0.026 0.000 2.204 277 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 277 E C 0.882 177.507 176.600 0.042 0.000 0.989 277 E CA 1.258 57.675 56.400 0.028 0.000 0.824 277 E CB -0.352 29.358 29.700 0.018 0.000 0.756 277 E HN 0.497 nan 8.360 nan 0.000 0.477 278 D N 1.186 121.612 120.400 0.044 0.000 2.183 278 D HA -0.065 4.575 4.640 -0.000 0.000 0.203 278 D C 2.129 178.483 176.300 0.089 0.000 0.969 278 D CA 0.721 54.754 54.000 0.055 0.000 0.842 278 D CB -0.065 40.761 40.800 0.044 0.000 0.957 278 D HN 0.272 nan 8.370 nan 0.000 0.484 279 L N 0.074 121.352 121.223 0.091 0.000 2.217 279 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 279 L C 2.161 179.160 176.870 0.215 0.000 1.107 279 L CA 0.263 55.196 54.840 0.155 0.000 0.783 279 L CB -0.024 42.056 42.059 0.035 0.000 0.919 279 L HN 0.057 nan 8.230 nan 0.000 0.442 280 L N -0.939 120.369 121.223 0.143 0.000 2.162 280 L HA 0.088 4.428 4.340 -0.000 0.000 0.205 280 L C 1.537 178.480 176.870 0.122 0.000 1.086 280 L CA 0.828 55.761 54.840 0.155 0.000 0.778 280 L CB -0.087 42.033 42.059 0.102 0.000 0.928 280 L HN -0.007 nan 8.230 nan 0.000 0.446 281 S N 0.261 116.021 115.700 0.100 0.000 2.559 281 S HA 0.063 4.533 4.470 -0.000 0.000 0.282 281 S C -2.228 172.435 174.600 0.105 0.000 1.336 281 S CA -0.765 57.486 58.200 0.085 0.000 1.037 281 S CB 0.185 63.428 63.200 0.071 0.000 0.853 281 S HN 0.091 nan 8.310 nan 0.000 0.523 282 P HA 0.011 nan 4.420 nan 0.000 0.258 282 P C -0.871 176.517 177.300 0.146 0.000 1.172 282 P CA 0.316 63.477 63.100 0.101 0.000 0.762 282 P CB 0.093 31.840 31.700 0.079 0.000 0.764 283 S N 2.421 118.235 115.700 0.190 0.000 2.498 283 S HA 0.120 4.590 4.470 -0.000 0.000 0.281 283 S C 0.398 175.197 174.600 0.330 0.000 1.265 283 S CA -0.568 57.832 58.200 0.333 0.000 1.071 283 S CB 0.156 63.539 63.200 0.305 0.000 0.894 283 S HN 0.159 nan 8.310 nan 0.000 0.491 284 V N 5.036 125.129 119.914 0.298 0.000 2.408 284 V HA 0.318 4.438 4.120 -0.000 0.000 0.267 284 V C 0.111 176.343 176.094 0.230 0.000 1.047 284 V CA -0.268 62.137 62.300 0.175 0.000 0.937 284 V CB 1.037 32.891 31.823 0.053 0.000 0.999 284 V HN 0.640 nan 8.190 nan 0.000 0.472 285 V N 4.980 124.975 119.914 0.136 0.000 2.525 285 V HA 0.447 4.567 4.120 -0.000 0.000 0.299 285 V C -0.611 175.456 176.094 -0.046 0.000 1.034 285 V CA -0.614 61.716 62.300 0.050 0.000 0.863 285 V CB 2.051 33.775 31.823 -0.166 0.000 0.999 285 V HN 0.897 nan 8.190 nan 0.000 0.423 286 D N 4.850 125.229 120.400 -0.036 0.000 2.374 286 D HA 0.143 4.783 4.640 -0.000 0.000 0.240 286 D C 0.820 177.065 176.300 -0.091 0.000 1.229 286 D CA 0.105 54.079 54.000 -0.044 0.000 0.895 286 D CB 1.600 42.410 40.800 0.016 0.000 1.046 286 D HN 0.577 nan 8.370 nan 0.000 0.498 287 V N 1.915 121.764 119.914 -0.108 0.000 3.421 287 V HA 0.388 4.508 4.120 -0.000 0.000 0.316 287 V C 1.551 177.580 176.094 -0.109 0.000 1.347 287 V CA 0.316 62.550 62.300 -0.109 0.000 1.183 287 V CB -0.107 31.684 31.823 -0.053 0.000 1.092 287 V HN 0.665 nan 8.190 nan 0.000 0.433 288 G N 0.933 109.659 108.800 -0.123 0.000 3.639 288 G HA2 -0.464 3.496 3.960 -0.000 0.000 0.224 288 G HA3 -0.464 3.496 3.960 -0.000 0.000 0.224 288 G C 0.710 175.472 174.900 -0.231 0.000 1.339 288 G CA 1.014 46.027 45.100 -0.145 0.000 0.933 288 G HN 0.523 nan 8.290 nan 0.000 0.568 289 D N 0.199 120.437 120.400 -0.270 0.000 2.117 289 D HA 0.248 4.888 4.640 -0.000 0.000 0.197 289 D C 0.900 176.627 176.300 -0.956 0.000 0.987 289 D CA 1.350 55.045 54.000 -0.508 0.000 0.829 289 D CB -0.030 40.579 40.800 -0.317 0.000 0.961 289 D HN 0.424 nan 8.370 nan 0.000 0.460 290 F N -2.033 117.670 119.950 -0.411 0.000 2.715 290 F HA 0.348 4.875 4.527 0.000 0.000 0.318 290 F C -0.120 175.538 175.800 -0.237 0.000 1.141 290 F CA -1.073 56.731 58.000 -0.328 0.000 0.950 290 F CB 1.521 40.259 39.000 -0.436 0.000 1.374 290 F HN -0.557 nan 8.300 nan 0.000 0.477 291 T N 3.182 117.778 114.554 0.070 0.000 2.767 291 T HA 0.726 5.076 4.350 -0.000 0.000 0.284 291 T C -0.439 174.271 174.700 0.017 0.000 0.973 291 T CA -0.339 61.770 62.100 0.013 0.000 0.996 291 T CB 0.414 69.281 68.868 -0.000 0.000 0.927 291 T HN 0.489 nan 8.240 nan 0.000 0.456 292 I N -0.286 120.287 120.570 0.004 0.000 3.206 292 I HA 0.884 5.054 4.170 -0.000 0.000 0.313 292 I C -0.239 175.907 176.117 0.048 0.000 1.103 292 I CA -1.126 60.185 61.300 0.019 0.000 0.985 292 I CB 2.291 40.315 38.000 0.041 0.000 1.240 292 I HN 0.495 nan 8.210 nan 0.000 0.464 293 S N 3.043 118.780 115.700 0.061 0.000 2.498 293 S HA 0.662 5.132 4.470 -0.000 0.000 0.317 293 S C -0.903 173.764 174.600 0.110 0.000 1.090 293 S CA -0.609 57.644 58.200 0.089 0.000 1.089 293 S CB 0.832 64.071 63.200 0.065 0.000 0.997 293 S HN 0.502 nan 8.310 nan 0.000 0.470 294 I N 5.606 126.272 120.570 0.158 0.000 2.382 294 I HA 0.291 4.461 4.170 -0.000 0.000 0.285 294 I C 0.435 176.633 176.117 0.136 0.000 1.007 294 I CA -0.610 60.795 61.300 0.176 0.000 1.142 294 I CB 1.299 39.476 38.000 0.296 0.000 1.289 294 I HN 0.870 nan 8.210 nan 0.000 0.453 295 N N 4.312 123.073 118.700 0.102 0.000 2.336 295 N HA 0.056 4.796 4.740 -0.000 0.000 0.189 295 N C 0.197 175.737 175.510 0.051 0.000 1.113 295 N CA 0.225 53.318 53.050 0.071 0.000 0.858 295 N CB 0.614 39.133 38.487 0.054 0.000 0.970 295 N HN 0.421 nan 8.380 nan 0.000 0.471 296 E N -0.623 119.617 120.200 0.067 0.000 2.433 296 E HA 0.589 4.939 4.350 -0.000 0.000 0.273 296 E C 0.198 176.838 176.600 0.067 0.000 0.950 296 E CA -0.314 56.106 56.400 0.034 0.000 0.796 296 E CB 2.155 31.864 29.700 0.016 0.000 1.330 296 E HN 0.215 nan 8.360 nan 0.000 0.455 297 G N 0.178 108.951 108.800 -0.045 0.000 2.829 297 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.628 297 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.628 297 G C -1.096 173.693 174.900 -0.184 0.000 1.412 297 G CA -0.242 44.797 45.100 -0.101 0.000 0.864 297 G HN 0.391 nan 8.290 nan 0.000 0.544 298 L N 2.121 123.189 121.223 -0.259 0.000 2.275 298 L HA 0.669 5.008 4.340 -0.000 0.000 0.288 298 L C -1.711 174.836 176.870 -0.538 0.000 1.046 298 L CA -2.040 52.520 54.840 -0.466 0.000 0.805 298 L CB 1.542 43.301 42.059 -0.501 0.000 1.193 298 L HN 0.428 nan 8.230 nan 0.000 0.426 299 P HA 0.113 nan 4.420 nan 0.000 0.268 299 P C -0.810 175.977 177.300 -0.855 0.000 1.541 299 P CA -0.299 61.740 63.100 -1.768 0.000 1.093 299 P CB 0.124 30.753 31.700 -1.786 0.000 1.551 300 S N 2.089 117.498 115.700 -0.485 0.000 2.596 300 S HA 0.297 4.767 4.470 -0.000 0.000 0.298 300 S C 1.663 176.348 174.600 0.142 0.000 1.255 300 S CA 0.574 58.768 58.200 -0.009 0.000 1.083 300 S CB -0.430 62.880 63.200 0.183 0.000 0.837 300 S HN 0.790 nan 8.310 nan 0.000 0.499 301 G N 1.327 110.215 108.800 0.147 0.000 2.201 301 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.212 301 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.212 301 G C 0.148 175.200 174.900 0.254 0.000 0.994 301 G CA -0.227 45.001 45.100 0.212 0.000 0.644 301 G HN 0.944 nan 8.290 nan 0.000 0.508 302 V N 2.127 122.191 119.914 0.250 0.000 2.720 302 V HA 0.245 4.365 4.120 -0.000 0.000 0.307 302 V C 0.434 176.701 176.094 0.289 0.000 1.071 302 V CA 0.259 62.773 62.300 0.356 0.000 1.199 302 V CB 1.170 33.227 31.823 0.392 0.000 0.900 302 V HN 0.161 nan 8.190 nan 0.000 0.494 303 P HA -0.193 nan 4.420 nan 0.000 0.222 303 P C 0.823 178.232 177.300 0.182 0.000 1.147 303 P CA 2.254 65.474 63.100 0.199 0.000 0.958 303 P CB -0.023 31.782 31.700 0.176 0.000 0.788 304 C N -1.996 117.415 119.300 0.185 0.000 2.336 304 C HA 0.268 4.728 4.460 -0.000 0.000 0.332 304 C C 2.159 177.267 174.990 0.198 0.000 1.375 304 C CA -0.220 58.885 59.018 0.145 0.000 1.785 304 C CB -1.903 25.876 27.740 0.065 0.000 2.407 304 C HN 0.302 nan 8.230 nan 0.000 0.562 305 T N 2.484 117.171 114.554 0.221 0.000 2.594 305 T HA -0.274 4.076 4.350 -0.000 0.000 0.266 305 T C 2.198 176.994 174.700 0.159 0.000 1.070 305 T CA 2.860 65.084 62.100 0.207 0.000 1.166 305 T CB -0.301 68.657 68.868 0.150 0.000 0.862 305 T HN 0.820 nan 8.240 nan 0.000 0.436 306 S N 1.193 116.961 115.700 0.114 0.000 2.382 306 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 306 S C 2.019 176.619 174.600 -0.001 0.000 1.027 306 S CA 1.240 59.467 58.200 0.046 0.000 0.991 306 S CB -0.439 62.773 63.200 0.021 0.000 0.823 306 S HN 0.538 nan 8.310 nan 0.000 0.469 307 Q N -0.109 119.711 119.800 0.034 0.000 2.096 307 Q HA 0.105 4.445 4.340 -0.000 0.000 0.197 307 Q C 1.740 177.829 176.000 0.149 0.000 0.964 307 Q CA 1.090 56.918 55.803 0.041 0.000 0.838 307 Q CB -0.571 28.175 28.738 0.014 0.000 0.906 307 Q HN 0.692 nan 8.270 nan 0.000 0.444 308 W N 2.269 123.536 121.300 -0.054 0.000 2.317 308 W HA -0.220 4.440 4.660 -0.000 0.000 0.318 308 W C 1.615 178.138 176.519 0.007 0.000 1.227 308 W CA 1.756 59.069 57.345 -0.053 0.000 1.269 308 W CB -0.863 28.557 29.460 -0.066 0.000 1.155 308 W HN 0.166 nan 8.180 nan 0.000 0.484 309 N N -0.058 118.724 118.700 0.137 0.000 2.069 309 N HA -0.168 4.572 4.740 -0.000 0.000 0.191 309 N C 1.930 177.500 175.510 0.099 0.000 1.031 309 N CA 2.279 55.364 53.050 0.059 0.000 0.852 309 N CB -0.824 37.681 38.487 0.031 0.000 1.018 309 N HN 0.059 nan 8.380 nan 0.000 0.423 310 S N 0.494 116.244 115.700 0.083 0.000 2.382 310 S HA -0.012 4.458 4.470 -0.000 0.000 0.228 310 S C 2.072 176.770 174.600 0.164 0.000 1.027 310 S CA 0.643 58.897 58.200 0.091 0.000 0.991 310 S CB -0.062 63.182 63.200 0.073 0.000 0.823 310 S HN 0.305 nan 8.310 nan 0.000 0.469 311 I N 1.456 122.158 120.570 0.220 0.000 2.286 311 I HA -0.126 4.044 4.170 -0.000 0.000 0.245 311 I C 2.653 178.874 176.117 0.172 0.000 1.104 311 I CA 0.910 62.369 61.300 0.265 0.000 1.397 311 I CB -0.476 37.649 38.000 0.209 0.000 1.072 311 I HN 0.241 nan 8.210 nan 0.000 0.417 312 A N 0.091 123.003 122.820 0.153 0.000 1.883 312 A HA -0.325 3.995 4.320 -0.000 0.000 0.217 312 A C 2.214 179.865 177.584 0.112 0.000 1.186 312 A CA 2.153 54.245 52.037 0.092 0.000 0.624 312 A CB -1.278 17.744 19.000 0.037 0.000 0.822 312 A HN 0.529 nan 8.150 nan 0.000 0.444 313 H N -2.730 116.352 119.070 0.020 0.000 2.289 313 H HA -0.258 4.298 4.556 -0.000 0.000 0.296 313 H C 1.965 176.952 175.328 -0.568 0.000 1.091 313 H CA 1.744 57.667 56.048 -0.209 0.000 1.274 313 H CB -0.200 29.193 29.762 -0.615 0.000 1.364 313 H HN 0.691 nan 8.280 nan 0.000 0.490 314 W N 1.567 122.415 121.300 -0.753 0.000 2.318 314 W HA -0.247 4.413 4.660 -0.000 0.000 0.313 314 W C 2.080 178.487 176.519 -0.187 0.000 1.221 314 W CA 1.573 58.602 57.345 -0.526 0.000 1.266 314 W CB -0.991 28.427 29.460 -0.071 0.000 1.150 314 W HN 0.288 nan 8.180 nan 0.000 0.496 315 L N -0.198 121.044 121.223 0.032 0.000 2.012 315 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 315 L C 2.669 179.537 176.870 -0.004 0.000 1.073 315 L CA 1.520 56.329 54.840 -0.051 0.000 0.748 315 L CB -1.016 40.999 42.059 -0.074 0.000 0.891 315 L HN -0.046 nan 8.230 nan 0.000 0.431 316 L N -1.338 119.894 121.223 0.014 0.000 2.056 316 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 316 L C 2.585 179.566 176.870 0.185 0.000 1.078 316 L CA 1.392 56.272 54.840 0.067 0.000 0.749 316 L CB -0.785 41.300 42.059 0.043 0.000 0.901 316 L HN 0.210 nan 8.230 nan 0.000 0.433 317 T N 0.157 114.798 114.554 0.145 0.000 2.708 317 T HA -0.164 4.186 4.350 -0.000 0.000 0.266 317 T C 1.981 176.767 174.700 0.144 0.000 1.037 317 T CA 1.217 63.407 62.100 0.151 0.000 1.146 317 T CB -0.246 68.628 68.868 0.010 0.000 0.865 317 T HN 0.160 nan 8.240 nan 0.000 0.435 318 L N 0.361 121.663 121.223 0.132 0.000 2.012 318 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 318 L C 2.941 179.920 176.870 0.182 0.000 1.073 318 L CA 1.193 56.161 54.840 0.213 0.000 0.748 318 L CB -0.627 41.559 42.059 0.212 0.000 0.891 318 L HN 0.410 nan 8.230 nan 0.000 0.431 319 C N -0.568 118.823 119.300 0.153 0.000 2.413 319 C HA -0.193 4.267 4.460 -0.000 0.000 0.277 319 C C 3.114 178.266 174.990 0.270 0.000 1.228 319 C CA 0.828 59.948 59.018 0.171 0.000 1.731 319 C CB -1.043 26.749 27.740 0.086 0.000 2.042 319 C HN 0.648 nan 8.230 nan 0.000 0.468 320 A N 0.017 123.033 122.820 0.327 0.000 1.902 320 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 320 A C 2.114 179.775 177.584 0.130 0.000 1.181 320 A CA 1.497 53.650 52.037 0.192 0.000 0.623 320 A CB -0.598 18.480 19.000 0.131 0.000 0.818 320 A HN 0.627 nan 8.150 nan 0.000 0.443 321 L N -1.034 120.295 121.223 0.177 0.000 2.027 321 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 321 L C 2.918 179.870 176.870 0.138 0.000 1.074 321 L CA 1.459 56.402 54.840 0.173 0.000 0.745 321 L CB -0.515 41.697 42.059 0.255 0.000 0.898 321 L HN 0.479 nan 8.230 nan 0.000 0.433 322 S N -0.294 115.494 115.700 0.147 0.000 2.359 322 S HA -0.239 4.230 4.470 -0.000 0.000 0.224 322 S C 1.887 176.541 174.600 0.090 0.000 1.035 322 S CA 1.607 59.877 58.200 0.117 0.000 1.018 322 S CB -0.105 63.165 63.200 0.116 0.000 0.876 322 S HN 0.402 nan 8.310 nan 0.000 0.448 323 E N -0.433 119.825 120.200 0.097 0.000 2.208 323 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 323 E C 1.855 178.479 176.600 0.040 0.000 0.988 323 E CA 0.838 57.283 56.400 0.074 0.000 0.828 323 E CB 0.109 29.870 29.700 0.102 0.000 0.763 323 E HN 0.355 nan 8.360 nan 0.000 0.478 324 V N -0.161 119.772 119.914 0.031 0.000 2.878 324 V HA -0.098 4.022 4.120 -0.000 0.000 0.250 324 V C 2.108 178.210 176.094 0.013 0.000 1.075 324 V CA 1.616 63.919 62.300 0.006 0.000 1.096 324 V CB 0.459 32.274 31.823 -0.013 0.000 0.724 324 V HN 0.237 nan 8.190 nan 0.000 0.467 325 T N -1.073 113.501 114.554 0.034 0.000 3.014 325 T HA 0.062 4.412 4.350 -0.000 0.000 0.250 325 T C 1.079 175.800 174.700 0.036 0.000 1.060 325 T CA 0.462 62.583 62.100 0.035 0.000 1.040 325 T CB -0.434 68.469 68.868 0.057 0.000 0.971 325 T HN 0.599 nan 8.240 nan 0.000 0.497 326 N N 0.708 119.432 118.700 0.039 0.000 2.721 326 N HA -0.142 4.598 4.740 -0.000 0.000 0.249 326 N C -0.933 174.602 175.510 0.042 0.000 1.072 326 N CA 0.129 53.202 53.050 0.037 0.000 0.710 326 N CB -0.996 37.507 38.487 0.027 0.000 0.993 326 N HN 0.450 nan 8.380 nan 0.000 0.547 327 L N 0.620 121.876 121.223 0.055 0.000 2.341 327 L HA 0.416 4.756 4.340 -0.000 0.000 0.267 327 L C 0.793 177.704 176.870 0.068 0.000 1.009 327 L CA -0.849 54.027 54.840 0.059 0.000 0.819 327 L CB 1.774 43.873 42.059 0.067 0.000 1.323 327 L HN 0.147 nan 8.230 nan 0.000 0.425 328 S N 1.008 116.746 115.700 0.063 0.000 2.579 328 S HA 0.192 4.662 4.470 -0.000 0.000 0.275 328 S C -1.917 172.735 174.600 0.086 0.000 1.345 328 S CA -0.794 57.444 58.200 0.064 0.000 1.031 328 S CB 0.966 64.197 63.200 0.051 0.000 0.892 328 S HN 0.425 nan 8.310 nan 0.000 0.529 329 P HA -0.124 nan 4.420 nan 0.000 0.216 329 P C 0.893 178.267 177.300 0.124 0.000 1.154 329 P CA 1.363 64.534 63.100 0.119 0.000 0.865 329 P CB -0.021 31.731 31.700 0.086 0.000 0.789 330 D N -0.834 119.618 120.400 0.087 0.000 2.104 330 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 330 D C 1.937 178.287 176.300 0.083 0.000 0.994 330 D CA 1.141 55.188 54.000 0.079 0.000 0.830 330 D CB -0.681 40.153 40.800 0.056 0.000 0.959 330 D HN 0.185 nan 8.370 nan 0.000 0.452 331 I N 0.672 121.289 120.570 0.078 0.000 2.315 331 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 331 I C 2.170 178.341 176.117 0.089 0.000 1.117 331 I CA 0.350 61.694 61.300 0.073 0.000 1.404 331 I CB 0.002 38.041 38.000 0.064 0.000 1.071 331 I HN -0.001 nan 8.210 nan 0.000 0.419 332 I N 0.343 120.985 120.570 0.121 0.000 2.142 332 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 332 I C 2.604 178.800 176.117 0.131 0.000 1.078 332 I CA 1.587 62.982 61.300 0.159 0.000 1.343 332 I CB -1.343 36.799 38.000 0.237 0.000 1.046 332 I HN 0.295 nan 8.210 nan 0.000 0.405 333 Q N 1.334 121.228 119.800 0.156 0.000 2.096 333 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 333 Q C 2.159 178.155 176.000 -0.008 0.000 0.982 333 Q CA 2.364 58.223 55.803 0.094 0.000 0.850 333 Q CB -0.408 28.446 28.738 0.194 0.000 0.901 333 Q HN 0.476 nan 8.270 nan 0.000 0.422 334 A N -0.201 122.642 122.820 0.039 0.000 2.121 334 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 334 A C 1.272 178.884 177.584 0.047 0.000 1.154 334 A CA 1.337 53.395 52.037 0.034 0.000 0.679 334 A CB -0.144 18.882 19.000 0.043 0.000 0.795 334 A HN 0.432 nan 8.150 nan 0.000 0.458 335 N N -0.547 118.182 118.700 0.050 0.000 2.197 335 N HA 0.157 4.897 4.740 -0.000 0.000 0.228 335 N C -0.757 174.820 175.510 0.111 0.000 1.212 335 N CA 0.222 53.341 53.050 0.114 0.000 0.883 335 N CB 0.877 39.423 38.487 0.098 0.000 1.107 335 N HN 0.262 nan 8.380 nan 0.000 0.519 336 S N 0.365 115.966 115.700 -0.164 0.000 2.661 336 S HA 0.628 5.098 4.470 -0.000 0.000 0.285 336 S C -1.127 172.820 174.600 -1.089 0.000 1.138 336 S CA -0.584 57.238 58.200 -0.631 0.000 0.855 336 S CB 2.620 65.465 63.200 -0.591 0.000 1.136 336 S HN 0.100 nan 8.310 nan 0.000 0.484 337 L N 2.058 122.442 121.223 -1.398 0.000 2.441 337 L HA 0.666 5.006 4.340 -0.000 0.000 0.270 337 L C -1.991 174.241 176.870 -1.065 0.000 0.973 337 L CA -0.254 53.833 54.840 -1.255 0.000 0.842 337 L CB 0.712 42.011 42.059 -1.267 0.000 1.239 337 L HN 0.544 nan 8.230 nan 0.000 0.406 338 F N 1.840 121.365 119.950 -0.709 0.000 2.440 338 F HA 0.737 5.264 4.527 -0.000 0.000 0.328 338 F C 0.532 175.804 175.800 -0.880 0.000 1.070 338 F CA -0.951 56.528 58.000 -0.869 0.000 1.011 338 F CB 2.026 40.352 39.000 -1.122 0.000 1.226 338 F HN 0.325 nan 8.300 nan 0.000 0.491 339 S N 1.548 116.770 115.700 -0.797 0.000 2.733 339 S HA 0.688 5.158 4.470 -0.000 0.000 0.294 339 S C -1.597 172.527 174.600 -0.793 0.000 1.149 339 S CA -0.438 57.326 58.200 -0.726 0.000 1.034 339 S CB 0.457 63.162 63.200 -0.826 0.000 1.015 339 S HN 0.302 nan 8.310 nan 0.000 0.486 340 F N 2.408 122.314 119.950 -0.074 0.000 2.540 340 F HA 0.518 5.045 4.527 -0.000 0.000 0.317 340 F C -0.589 175.333 175.800 0.204 0.000 1.104 340 F CA -1.047 56.941 58.000 -0.021 0.000 0.913 340 F CB 1.296 40.142 39.000 -0.256 0.000 1.170 340 F HN 0.538 nan 8.300 nan 0.000 0.450 341 Y N 2.212 122.700 120.300 0.313 0.000 2.609 341 Y HA 0.515 5.065 4.550 -0.000 0.000 0.350 341 Y C 0.469 176.365 175.900 -0.005 0.000 1.050 341 Y CA -0.261 57.901 58.100 0.102 0.000 1.290 341 Y CB 0.877 39.291 38.460 -0.077 0.000 1.094 341 Y HN 0.846 nan 8.280 nan 0.000 0.583 342 G N 3.776 112.635 108.800 0.097 0.000 2.601 342 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.306 342 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.306 342 G C 0.839 175.519 174.900 -0.368 0.000 1.172 342 G CA 0.905 45.970 45.100 -0.059 0.000 0.966 342 G HN 0.632 nan 8.290 nan 0.000 0.542 343 D N 1.229 121.300 120.400 -0.548 0.000 2.333 343 D HA 0.161 4.801 4.640 -0.000 0.000 0.208 343 D C 0.638 176.835 176.300 -0.171 0.000 0.984 343 D CA 0.846 54.267 54.000 -0.965 0.000 0.873 343 D CB -0.203 40.200 40.800 -0.661 0.000 0.935 343 D HN 0.379 nan 8.370 nan 0.000 0.521 344 D N 1.126 121.555 120.400 0.049 0.000 2.345 344 D HA 0.184 4.824 4.640 -0.000 0.000 0.247 344 D C -0.081 176.491 176.300 0.454 0.000 1.108 344 D CA 0.097 54.220 54.000 0.205 0.000 0.894 344 D CB 0.916 41.692 40.800 -0.039 0.000 1.203 344 D HN 0.442 nan 8.370 nan 0.000 0.430 345 E N 1.917 122.418 120.200 0.502 0.000 2.372 345 E HA 0.527 4.877 4.350 -0.000 0.000 0.279 345 E C -1.105 175.553 176.600 0.096 0.000 0.946 345 E CA -0.822 55.772 56.400 0.325 0.000 0.769 345 E CB 1.191 31.084 29.700 0.323 0.000 1.230 345 E HN 0.266 nan 8.360 nan 0.000 0.442 346 I N 2.184 122.561 120.570 -0.321 0.000 2.436 346 I HA 0.362 4.532 4.170 -0.000 0.000 0.289 346 I C -0.961 174.947 176.117 -0.348 0.000 1.010 346 I CA -1.355 59.713 61.300 -0.387 0.000 1.098 346 I CB 2.111 39.699 38.000 -0.687 0.000 1.266 346 I HN 0.385 nan 8.210 nan 0.000 0.434 347 V N 5.044 124.715 119.914 -0.404 0.000 2.378 347 V HA 0.384 4.504 4.120 -0.000 0.000 0.288 347 V C -0.047 175.908 176.094 -0.231 0.000 1.016 347 V CA -0.316 61.777 62.300 -0.345 0.000 0.840 347 V CB 1.550 32.924 31.823 -0.750 0.000 0.994 347 V HN 0.744 nan 8.190 nan 0.000 0.431 348 S N 3.010 118.622 115.700 -0.148 0.000 2.501 348 S HA 0.823 5.293 4.470 -0.000 0.000 0.301 348 S C -0.179 174.211 174.600 -0.350 0.000 1.096 348 S CA -0.502 57.578 58.200 -0.200 0.000 1.063 348 S CB 1.971 65.118 63.200 -0.089 0.000 1.042 348 S HN 0.843 nan 8.310 nan 0.000 0.494 349 T N 0.576 115.040 114.554 -0.149 0.000 2.885 349 T HA 0.292 4.642 4.350 -0.000 0.000 0.322 349 T C -0.867 173.972 174.700 0.232 0.000 1.387 349 T CA -0.536 61.578 62.100 0.022 0.000 1.041 349 T CB 1.387 70.316 68.868 0.101 0.000 1.287 349 T HN 0.416 nan 8.240 nan 0.000 0.491 350 D N 1.871 122.438 120.400 0.278 0.000 2.350 350 D HA 0.245 4.885 4.640 -0.000 0.000 0.213 350 D C 0.544 177.006 176.300 0.270 0.000 1.031 350 D CA 0.376 54.507 54.000 0.218 0.000 0.861 350 D CB 0.206 41.082 40.800 0.128 0.000 0.926 350 D HN 0.506 nan 8.370 nan 0.000 0.520 351 I N 1.288 122.006 120.570 0.247 0.000 2.395 351 I HA 0.027 4.197 4.170 -0.000 0.000 0.289 351 I C 0.875 177.044 176.117 0.088 0.000 1.023 351 I CA -0.360 61.042 61.300 0.170 0.000 1.350 351 I CB 1.044 39.115 38.000 0.117 0.000 1.409 351 I HN -0.381 nan 8.210 nan 0.000 0.507 352 K N 7.120 127.511 120.400 -0.014 0.000 2.379 352 K HA 0.366 4.686 4.320 -0.000 0.000 0.284 352 K C -1.142 175.315 176.600 -0.238 0.000 1.044 352 K CA -0.137 55.942 56.287 -0.346 0.000 0.974 352 K CB 0.405 32.816 32.500 -0.148 0.000 0.962 352 K HN 0.489 nan 8.250 nan 0.000 0.474 353 L N 2.801 123.831 121.223 -0.322 0.000 2.342 353 L HA 0.289 4.629 4.340 -0.000 0.000 0.271 353 L C -0.024 176.756 176.870 -0.150 0.000 1.008 353 L CA -1.007 53.737 54.840 -0.160 0.000 0.818 353 L CB 1.583 43.586 42.059 -0.094 0.000 1.296 353 L HN 0.578 nan 8.230 nan 0.000 0.427 354 D N 2.829 123.169 120.400 -0.100 0.000 2.336 354 D HA 0.169 4.809 4.640 -0.000 0.000 0.249 354 D C -1.883 174.357 176.300 -0.101 0.000 1.213 354 D CA -1.522 52.426 54.000 -0.087 0.000 0.870 354 D CB 1.980 42.742 40.800 -0.063 0.000 1.076 354 D HN 0.241 nan 8.370 nan 0.000 0.483 355 P HA -0.062 nan 4.420 nan 0.000 0.220 355 P C 0.948 178.176 177.300 -0.119 0.000 1.152 355 P CA 0.792 63.815 63.100 -0.129 0.000 0.812 355 P CB 0.345 31.985 31.700 -0.100 0.000 0.792 356 E N 0.565 120.712 120.200 -0.088 0.000 2.112 356 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 356 E C 1.770 178.321 176.600 -0.083 0.000 0.979 356 E CA 0.842 57.195 56.400 -0.078 0.000 0.814 356 E CB -0.525 29.140 29.700 -0.058 0.000 0.762 356 E HN 0.314 nan 8.360 nan 0.000 0.460 357 K N 0.694 121.046 120.400 -0.080 0.000 2.057 357 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 357 K C 2.280 178.820 176.600 -0.099 0.000 1.049 357 K CA 0.825 57.066 56.287 -0.078 0.000 0.931 357 K CB -0.207 32.256 32.500 -0.062 0.000 0.714 357 K HN 0.016 nan 8.250 nan 0.000 0.440 358 L N 1.366 122.521 121.223 -0.114 0.000 2.046 358 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 358 L C 1.962 178.743 176.870 -0.147 0.000 1.077 358 L CA 1.948 56.705 54.840 -0.138 0.000 0.747 358 L CB -0.763 41.179 42.059 -0.195 0.000 0.896 358 L HN 0.113 nan 8.230 nan 0.000 0.432 359 T N -0.073 114.396 114.554 -0.142 0.000 2.708 359 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 359 T C 1.930 176.563 174.700 -0.111 0.000 1.037 359 T CA 1.391 63.419 62.100 -0.120 0.000 1.146 359 T CB -0.683 68.120 68.868 -0.108 0.000 0.865 359 T HN 0.517 nan 8.240 nan 0.000 0.435 360 A N 1.587 124.342 122.820 -0.108 0.000 1.933 360 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 360 A C 2.210 179.702 177.584 -0.154 0.000 1.175 360 A CA 1.921 53.894 52.037 -0.106 0.000 0.628 360 A CB -0.487 18.462 19.000 -0.085 0.000 0.814 360 A HN 0.327 nan 8.150 nan 0.000 0.444 361 K N 0.164 120.444 120.400 -0.201 0.000 2.057 361 K HA 0.023 4.343 4.320 -0.000 0.000 0.206 361 K C 1.704 177.959 176.600 -0.575 0.000 1.050 361 K CA 1.403 57.479 56.287 -0.352 0.000 0.935 361 K CB -0.653 31.664 32.500 -0.305 0.000 0.715 361 K HN 0.465 nan 8.250 nan 0.000 0.439 362 L N 0.466 121.479 121.223 -0.350 0.000 2.046 362 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 362 L C 2.368 179.153 176.870 -0.142 0.000 1.077 362 L CA 1.480 56.181 54.840 -0.230 0.000 0.747 362 L CB -0.373 41.707 42.059 0.036 0.000 0.896 362 L HN 0.124 nan 8.230 nan 0.000 0.432 363 K N -0.143 120.191 120.400 -0.110 0.000 2.147 363 K HA -0.237 4.083 4.320 -0.000 0.000 0.205 363 K C 2.052 178.610 176.600 -0.070 0.000 1.049 363 K CA 1.336 57.582 56.287 -0.068 0.000 0.936 363 K CB -0.102 32.361 32.500 -0.062 0.000 0.722 363 K HN 0.324 nan 8.250 nan 0.000 0.446 364 E N 0.117 120.245 120.200 -0.121 0.000 2.085 364 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 364 E C 1.229 177.874 176.600 0.075 0.000 0.994 364 E CA 1.098 57.463 56.400 -0.057 0.000 0.801 364 E CB 0.050 29.694 29.700 -0.094 0.000 0.743 364 E HN 0.307 nan 8.360 nan 0.000 0.453 365 Y N -0.574 119.688 120.300 -0.065 0.000 2.632 365 Y HA 0.125 4.675 4.550 -0.000 0.000 0.301 365 Y C 1.819 177.637 175.900 -0.137 0.000 1.172 365 Y CA 0.845 58.885 58.100 -0.101 0.000 1.328 365 Y CB -0.223 38.167 38.460 -0.116 0.000 1.016 365 Y HN 0.278 nan 8.280 nan 0.000 0.529 366 G N -0.382 108.432 108.800 0.024 0.000 2.175 366 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 366 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 366 G C 0.210 175.059 174.900 -0.085 0.000 0.982 366 G CA 0.045 45.114 45.100 -0.052 0.000 0.641 366 G HN 0.268 nan 8.290 nan 0.000 0.527 367 L N 0.215 121.402 121.223 -0.060 0.000 2.464 367 L HA 0.396 4.736 4.340 -0.000 0.000 0.264 367 L C 0.797 177.707 176.870 0.068 0.000 1.199 367 L CA 0.028 54.850 54.840 -0.030 0.000 0.818 367 L CB 0.521 42.602 42.059 0.037 0.000 1.102 367 L HN -0.060 nan 8.230 nan 0.000 0.473 368 K N 2.687 123.186 120.400 0.165 0.000 2.800 368 K HA 0.309 4.629 4.320 -0.000 0.000 0.185 368 K C -2.486 174.152 176.600 0.063 0.000 1.082 368 K CA -1.493 54.849 56.287 0.092 0.000 0.978 368 K CB 0.908 33.438 32.500 0.051 0.000 1.364 368 K HN 0.278 nan 8.250 nan 0.000 0.592 369 P HA 0.065 nan 4.420 nan 0.000 0.275 369 P C -0.216 176.959 177.300 -0.209 0.000 1.227 369 P CA 0.160 63.037 63.100 -0.372 0.000 0.781 369 P CB 1.011 32.505 31.700 -0.343 0.000 0.906 370 T N -0.261 114.161 114.554 -0.220 0.000 2.896 370 T HA 0.521 4.871 4.350 -0.000 0.000 0.297 370 T C -0.109 174.535 174.700 -0.093 0.000 1.108 370 T CA -1.232 60.801 62.100 -0.112 0.000 1.004 370 T CB 1.192 70.024 68.868 -0.060 0.000 1.159 370 T HN 0.220 nan 8.240 nan 0.000 0.499 371 R N 2.315 122.784 120.500 -0.051 0.000 2.449 371 R HA 0.249 4.589 4.340 -0.000 0.000 0.296 371 R C -1.434 174.860 176.300 -0.009 0.000 1.047 371 R CA -1.533 54.554 56.100 -0.022 0.000 1.018 371 R CB 0.284 30.577 30.300 -0.012 0.000 0.962 371 R HN 0.517 nan 8.270 nan 0.000 0.428 372 P HA -0.216 nan 4.420 nan 0.000 0.218 372 P C 0.022 177.329 177.300 0.011 0.000 1.149 372 P CA 1.483 64.591 63.100 0.013 0.000 0.817 372 P CB 0.275 31.990 31.700 0.024 0.000 0.785 373 D N -0.613 119.793 120.400 0.009 0.000 2.943 373 D HA -0.019 4.621 4.640 -0.000 0.000 0.282 373 D C 1.779 178.083 176.300 0.007 0.000 1.148 373 D CA 0.419 54.424 54.000 0.007 0.000 1.006 373 D CB -0.475 40.328 40.800 0.004 0.000 1.168 373 D HN -0.036 nan 8.370 nan 0.000 0.450 374 K N 0.802 121.206 120.400 0.005 0.000 2.103 374 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 374 K C 0.357 176.958 176.600 0.001 0.000 1.052 374 K CA 1.346 57.635 56.287 0.004 0.000 0.945 374 K CB -0.468 32.034 32.500 0.003 0.000 0.722 374 K HN 0.632 nan 8.250 nan 0.000 0.443 375 T N -0.239 114.313 114.554 -0.003 0.000 0.541 375 T HA -0.218 4.132 4.350 -0.000 0.000 0.774 375 T C -0.510 174.184 174.700 -0.010 0.000 0.992 375 T CA 0.575 62.671 62.100 -0.007 0.000 4.077 375 T CB -0.865 68.002 68.868 -0.001 0.000 2.303 375 T HN 0.445 nan 8.240 nan 0.000 0.398 376 E N 0.181 120.371 120.200 -0.017 0.000 7.494 376 E HA 0.321 4.671 4.350 -0.000 0.000 0.356 376 E C 0.470 177.057 176.600 -0.021 0.000 0.670 376 E CA 2.378 58.767 56.400 -0.019 0.000 1.219 376 E CB -1.207 28.485 29.700 -0.013 0.000 0.933 376 E HN 2.432 nan 8.360 nan 0.000 0.264 377 G N 1.939 110.722 108.800 -0.028 0.000 2.408 377 G HA2 0.112 4.072 3.960 -0.000 0.000 0.682 377 G HA3 0.112 4.072 3.960 -0.000 0.000 0.682 377 G C -2.658 172.217 174.900 -0.042 0.000 1.303 377 G CA -0.600 44.481 45.100 -0.031 0.000 0.966 377 G HN 0.463 nan 8.290 nan 0.000 0.560 378 P HA 0.460 nan 4.420 nan 0.000 0.274 378 P C 0.836 178.097 177.300 -0.066 0.000 1.246 378 P CA -0.772 62.289 63.100 -0.065 0.000 0.795 378 P CB 0.343 32.004 31.700 -0.066 0.000 1.006 379 L N -0.751 120.416 121.223 -0.093 0.000 2.483 379 L HA 0.275 4.615 4.340 -0.000 0.000 0.275 379 L C -0.384 176.455 176.870 -0.051 0.000 1.220 379 L CA -0.476 54.316 54.840 -0.079 0.000 0.833 379 L CB -0.296 41.691 42.059 -0.119 0.000 1.102 379 L HN -0.002 nan 8.230 nan 0.000 0.490 380 V N 3.954 123.871 119.914 0.006 0.000 2.432 380 V HA 0.342 4.462 4.120 -0.000 0.000 0.275 380 V C 0.558 176.710 176.094 0.097 0.000 1.043 380 V CA -0.247 62.075 62.300 0.038 0.000 0.925 380 V CB 1.236 33.087 31.823 0.047 0.000 0.985 380 V HN 0.575 nan 8.190 nan 0.000 0.466 381 I N 4.145 124.769 120.570 0.090 0.000 2.304 381 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 381 I C 0.463 176.695 176.117 0.191 0.000 1.018 381 I CA 0.421 61.824 61.300 0.170 0.000 1.260 381 I CB 1.535 39.597 38.000 0.102 0.000 1.390 381 I HN 0.651 nan 8.210 nan 0.000 0.475 382 S N 4.149 119.994 115.700 0.241 0.000 2.593 382 S HA 0.335 4.805 4.470 -0.000 0.000 0.297 382 S C 0.673 175.454 174.600 0.301 0.000 1.112 382 S CA -0.543 57.792 58.200 0.225 0.000 1.043 382 S CB 1.353 64.654 63.200 0.169 0.000 1.054 382 S HN 0.666 nan 8.310 nan 0.000 0.516 383 E N 0.889 121.226 120.200 0.230 0.000 2.479 383 E HA 0.107 4.457 4.350 -0.000 0.000 0.193 383 E C -0.729 175.995 176.600 0.206 0.000 1.049 383 E CA 0.117 56.623 56.400 0.177 0.000 0.870 383 E CB 0.363 30.115 29.700 0.087 0.000 0.944 383 E HN 0.461 nan 8.360 nan 0.000 0.492 384 D N 0.354 120.866 120.400 0.186 0.000 2.505 384 D HA 0.091 4.731 4.640 -0.000 0.000 0.249 384 D C 0.205 176.486 176.300 -0.033 0.000 1.082 384 D CA -0.440 53.621 54.000 0.101 0.000 0.839 384 D CB 2.202 43.047 40.800 0.074 0.000 1.317 384 D HN -0.058 nan 8.370 nan 0.000 0.497 385 L N 3.768 124.850 121.223 -0.235 0.000 2.209 385 L HA 0.183 4.523 4.340 -0.000 0.000 0.207 385 L C 0.641 177.410 176.870 -0.169 0.000 1.094 385 L CA 0.628 55.168 54.840 -0.500 0.000 0.790 385 L CB -0.348 41.157 42.059 -0.923 0.000 0.932 385 L HN 0.385 nan 8.230 nan 0.000 0.447 386 N N 0.874 119.624 118.700 0.084 0.000 2.294 386 N HA 0.074 4.814 4.740 -0.000 0.000 0.263 386 N C 1.065 176.549 175.510 -0.043 0.000 1.281 386 N CA 1.415 54.494 53.050 0.049 0.000 0.846 386 N CB 0.433 38.933 38.487 0.023 0.000 1.061 386 N HN 0.540 nan 8.380 nan 0.000 0.478 387 G N 1.482 110.229 108.800 -0.088 0.000 2.218 387 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 387 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 387 G C -0.009 174.837 174.900 -0.090 0.000 0.994 387 G CA -0.391 44.662 45.100 -0.078 0.000 0.637 387 G HN 0.452 nan 8.290 nan 0.000 0.505 388 L N 1.903 123.045 121.223 -0.135 0.000 2.436 388 L HA 0.668 5.008 4.340 -0.000 0.000 0.265 388 L C 1.140 177.913 176.870 -0.162 0.000 1.168 388 L CA 0.851 55.608 54.840 -0.138 0.000 0.815 388 L CB 1.472 43.416 42.059 -0.192 0.000 1.109 388 L HN 0.452 nan 8.230 nan 0.000 0.462 389 T N -0.320 114.182 114.554 -0.086 0.000 2.841 389 T HA 0.690 5.040 4.350 -0.000 0.000 0.283 389 T C -0.964 173.778 174.700 0.069 0.000 1.000 389 T CA -0.558 61.515 62.100 -0.046 0.000 0.977 389 T CB 1.048 69.901 68.868 -0.024 0.000 0.979 389 T HN 0.274 nan 8.240 nan 0.000 0.446 390 F N 4.638 124.510 119.950 -0.131 0.000 2.588 390 F HA 0.508 5.035 4.527 -0.000 0.000 0.318 390 F C -0.034 175.750 175.800 -0.026 0.000 1.155 390 F CA -1.672 56.288 58.000 -0.068 0.000 0.967 390 F CB 1.196 40.156 39.000 -0.067 0.000 1.236 390 F HN 0.802 nan 8.300 nan 0.000 0.455 391 L N 6.650 127.541 121.223 -0.552 0.000 3.678 391 L HA -0.360 3.980 4.340 -0.000 0.000 0.425 391 L C 0.789 177.544 176.870 -0.192 0.000 1.240 391 L CA 1.003 55.571 54.840 -0.453 0.000 0.876 391 L CB -1.328 40.414 42.059 -0.528 0.000 1.766 391 L HN 0.900 nan 8.230 nan 0.000 0.917 392 R N -3.035 117.392 120.500 -0.121 0.000 3.951 392 R HA -0.186 4.154 4.340 -0.000 0.000 0.352 392 R C 0.301 176.587 176.300 -0.023 0.000 1.178 392 R CA 1.246 57.312 56.100 -0.056 0.000 0.949 392 R CB -0.920 29.351 30.300 -0.048 0.000 1.452 392 R HN 0.380 nan 8.270 nan 0.000 0.540 393 R N 0.325 120.814 120.500 -0.019 0.000 2.460 393 R HA 0.326 4.666 4.340 -0.000 0.000 0.303 393 R C -0.358 175.899 176.300 -0.071 0.000 0.968 393 R CA -0.246 55.848 56.100 -0.010 0.000 0.889 393 R CB 1.410 31.740 30.300 0.050 0.000 1.123 393 R HN -0.051 nan 8.270 nan 0.000 0.455 394 T N 2.538 117.032 114.554 -0.100 0.000 2.749 394 T HA 0.173 4.523 4.350 -0.000 0.000 0.295 394 T C -0.076 174.453 174.700 -0.285 0.000 0.936 394 T CA -0.504 61.498 62.100 -0.164 0.000 1.060 394 T CB 0.662 69.452 68.868 -0.130 0.000 0.904 394 T HN 0.162 nan 8.240 nan 0.000 0.500 395 V N 5.667 125.354 119.914 -0.378 0.000 2.446 395 V HA 0.209 4.329 4.120 -0.000 0.000 0.276 395 V C 0.680 176.585 176.094 -0.315 0.000 1.030 395 V CA 0.107 62.084 62.300 -0.539 0.000 1.033 395 V CB 0.009 31.367 31.823 -0.775 0.000 0.993 395 V HN 0.986 nan 8.190 nan 0.000 0.477 396 T N 5.317 119.618 114.554 -0.421 0.000 2.876 396 T HA 0.643 4.993 4.350 -0.000 0.000 0.289 396 T C -0.426 173.974 174.700 -0.500 0.000 1.014 396 T CA -0.798 60.981 62.100 -0.535 0.000 0.986 396 T CB 2.044 70.329 68.868 -0.972 0.000 1.021 396 T HN 0.592 nan 8.240 nan 0.000 0.458 397 R N 2.417 122.570 120.500 -0.579 0.000 2.437 397 R HA 0.603 4.943 4.340 -0.000 0.000 0.310 397 R C -1.184 174.918 176.300 -0.329 0.000 0.955 397 R CA -0.580 55.028 56.100 -0.819 0.000 0.851 397 R CB 0.610 29.878 30.300 -1.719 0.000 1.161 397 R HN 0.845 nan 8.270 nan 0.000 0.446 398 D N 3.292 123.640 120.400 -0.085 0.000 2.585 398 D HA 0.437 5.077 4.640 -0.000 0.000 0.254 398 D C -1.929 174.364 176.300 -0.012 0.000 1.067 398 D CA -2.053 51.959 54.000 0.021 0.000 1.090 398 D CB 0.654 41.578 40.800 0.207 0.000 1.408 398 D HN 0.251 nan 8.370 nan 0.000 0.554 399 P HA -0.124 nan 4.420 nan 0.000 0.218 399 P C 1.025 178.355 177.300 0.049 0.000 1.147 399 P CA 2.557 65.668 63.100 0.017 0.000 0.827 399 P CB 0.013 31.734 31.700 0.035 0.000 0.778 400 A N -1.745 121.149 122.820 0.123 0.000 1.975 400 A HA 0.451 4.771 4.320 -0.000 0.000 0.215 400 A C 1.263 178.933 177.584 0.144 0.000 1.170 400 A CA 1.469 53.620 52.037 0.190 0.000 0.656 400 A CB -0.529 18.712 19.000 0.401 0.000 0.821 400 A HN 0.368 nan 8.150 nan 0.000 0.449 401 G N -3.059 105.799 108.800 0.097 0.000 2.352 401 G HA2 0.260 4.220 3.960 -0.000 0.000 0.283 401 G HA3 0.260 4.220 3.960 -0.000 0.000 0.283 401 G C -1.701 173.251 174.900 0.087 0.000 1.308 401 G CA -0.711 44.436 45.100 0.077 0.000 0.892 401 G HN 0.306 nan 8.290 nan 0.000 0.504 402 W N 0.744 122.166 121.300 0.202 0.000 2.351 402 W HA 0.679 5.339 4.660 -0.000 0.000 0.311 402 W C 0.197 176.910 176.519 0.324 0.000 1.168 402 W CA -0.134 57.328 57.345 0.196 0.000 1.200 402 W CB 1.150 30.716 29.460 0.177 0.000 1.221 402 W HN 0.592 nan 8.180 nan 0.000 0.519 403 F N 0.774 120.942 119.950 0.364 0.000 2.662 403 F HA 0.874 5.401 4.527 0.000 0.000 0.312 403 F C -0.103 175.867 175.800 0.282 0.000 1.113 403 F CA -2.262 55.895 58.000 0.262 0.000 0.951 403 F CB 0.746 39.769 39.000 0.039 0.000 1.344 403 F HN 0.372 nan 8.300 nan 0.000 0.462 404 G N 1.775 110.817 108.800 0.404 0.000 2.329 404 G HA2 0.399 4.359 3.960 -0.000 0.000 0.309 404 G HA3 0.399 4.359 3.960 -0.000 0.000 0.309 404 G C -1.311 173.682 174.900 0.155 0.000 1.110 404 G CA -0.792 44.450 45.100 0.237 0.000 0.923 404 G HN 0.700 nan 8.290 nan 0.000 0.430 405 K N 3.293 123.681 120.400 -0.019 0.000 2.268 405 K HA 0.196 4.516 4.320 -0.000 0.000 0.276 405 K C -0.240 176.373 176.600 0.022 0.000 1.080 405 K CA -0.801 55.481 56.287 -0.007 0.000 0.910 405 K CB 0.967 33.357 32.500 -0.183 0.000 1.163 405 K HN 0.383 nan 8.250 nan 0.000 0.465 406 L N 4.160 125.451 121.223 0.113 0.000 2.540 406 L HA -0.004 4.336 4.340 -0.000 0.000 0.276 406 L C 0.086 177.106 176.870 0.250 0.000 1.212 406 L CA 0.737 55.669 54.840 0.153 0.000 0.893 406 L CB 0.222 42.377 42.059 0.160 0.000 1.138 406 L HN 0.571 nan 8.230 nan 0.000 0.491 407 E N 3.473 123.743 120.200 0.116 0.000 2.437 407 E HA -0.083 4.267 4.350 -0.000 0.000 0.263 407 E C 0.639 177.223 176.600 -0.027 0.000 1.030 407 E CA 0.238 56.672 56.400 0.056 0.000 0.934 407 E CB 0.515 30.212 29.700 -0.004 0.000 0.943 407 E HN 0.686 nan 8.360 nan 0.000 0.444 408 Q N 0.847 120.509 119.800 -0.230 0.000 2.079 408 Q HA -0.155 4.185 4.340 -0.000 0.000 0.200 408 Q C 2.193 178.160 176.000 -0.055 0.000 0.974 408 Q CA 1.698 57.230 55.803 -0.452 0.000 0.840 408 Q CB -0.005 28.209 28.738 -0.874 0.000 0.898 408 Q HN 0.597 nan 8.270 nan 0.000 0.430 409 S N -0.194 115.468 115.700 -0.064 0.000 2.419 409 S HA -0.085 4.385 4.470 -0.000 0.000 0.233 409 S C 2.034 176.605 174.600 -0.047 0.000 1.016 409 S CA 1.160 59.333 58.200 -0.045 0.000 0.974 409 S CB -0.125 62.998 63.200 -0.128 0.000 0.786 409 S HN 0.086 nan 8.310 nan 0.000 0.492 410 S N 1.566 117.250 115.700 -0.026 0.000 2.387 410 S HA 0.178 4.648 4.470 -0.000 0.000 0.226 410 S C 1.698 176.347 174.600 0.082 0.000 1.026 410 S CA 1.003 59.206 58.200 0.006 0.000 0.972 410 S CB -0.402 62.811 63.200 0.022 0.000 0.814 410 S HN 0.525 nan 8.310 nan 0.000 0.477 411 I N 1.105 121.755 120.570 0.134 0.000 2.233 411 I HA -0.134 4.036 4.170 -0.000 0.000 0.243 411 I C 1.979 178.181 176.117 0.142 0.000 1.093 411 I CA 0.948 62.356 61.300 0.180 0.000 1.380 411 I CB -0.276 37.904 38.000 0.300 0.000 1.067 411 I HN 0.212 nan 8.210 nan 0.000 0.413 412 L N 0.082 121.414 121.223 0.181 0.000 2.079 412 L HA -0.236 4.103 4.340 -0.000 0.000 0.210 412 L C 2.725 179.730 176.870 0.225 0.000 1.081 412 L CA 1.321 56.261 54.840 0.166 0.000 0.752 412 L CB -0.524 41.688 42.059 0.254 0.000 0.896 412 L HN 0.161 nan 8.230 nan 0.000 0.433 413 R N -0.288 120.333 120.500 0.203 0.000 2.096 413 R HA -0.224 4.116 4.340 -0.000 0.000 0.240 413 R C 2.306 178.801 176.300 0.324 0.000 1.139 413 R CA 1.808 58.068 56.100 0.267 0.000 0.952 413 R CB -0.182 30.180 30.300 0.103 0.000 0.854 413 R HN 0.433 nan 8.270 nan 0.000 0.436 414 Q N -0.893 119.031 119.800 0.206 0.000 2.369 414 Q HA -0.046 4.294 4.340 -0.000 0.000 0.206 414 Q C 1.858 177.924 176.000 0.111 0.000 0.963 414 Q CA 0.664 56.587 55.803 0.200 0.000 0.894 414 Q CB 0.229 29.064 28.738 0.162 0.000 0.965 414 Q HN 0.275 nan 8.270 nan 0.000 0.475 415 M N -1.042 118.551 119.600 -0.012 0.000 2.132 415 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 415 M C 1.292 177.423 176.300 -0.282 0.000 1.065 415 M CA 1.648 56.808 55.300 -0.234 0.000 1.122 415 M CB -0.758 31.555 32.600 -0.477 0.000 1.365 415 M HN 0.224 nan 8.290 nan 0.000 0.411 416 Y N -2.475 117.815 120.300 -0.017 0.000 2.490 416 Y HA -0.014 4.536 4.550 -0.000 0.000 0.285 416 Y C 0.160 175.834 175.900 -0.376 0.000 1.117 416 Y CA -0.066 57.904 58.100 -0.218 0.000 1.262 416 Y CB -0.047 38.246 38.460 -0.278 0.000 1.043 416 Y HN 0.127 nan 8.280 nan 0.000 0.553 417 W N -0.672 120.768 121.300 0.234 0.000 2.739 417 W HA 0.518 5.178 4.660 -0.000 0.000 0.331 417 W C -0.179 176.510 176.519 0.284 0.000 1.049 417 W CA -0.878 56.630 57.345 0.272 0.000 1.234 417 W CB 1.674 31.276 29.460 0.235 0.000 1.404 417 W HN -0.482 nan 8.180 nan 0.000 0.477 418 T N 2.465 117.344 114.554 0.541 0.000 2.912 418 T HA 0.584 4.934 4.350 -0.000 0.000 0.288 418 T C -0.506 174.432 174.700 0.398 0.000 1.030 418 T CA -0.782 61.538 62.100 0.367 0.000 1.020 418 T CB 0.795 69.774 68.868 0.184 0.000 1.056 418 T HN 0.396 nan 8.240 nan 0.000 0.480 419 R N 1.938 122.558 120.500 0.199 0.000 2.202 419 R HA 0.605 4.945 4.340 -0.000 0.000 0.334 419 R C 0.555 176.847 176.300 -0.013 0.000 1.036 419 R CA -0.319 55.806 56.100 0.041 0.000 0.878 419 R CB 1.223 31.469 30.300 -0.090 0.000 1.067 419 R HN 0.779 nan 8.270 nan 0.000 0.457 420 G N 3.209 112.055 108.800 0.076 0.000 3.243 420 G HA2 0.532 4.492 3.960 -0.000 0.000 0.248 420 G HA3 0.532 4.492 3.960 -0.000 0.000 0.248 420 G C -2.667 172.289 174.900 0.093 0.000 1.267 420 G CA -1.093 43.944 45.100 -0.103 0.000 0.906 420 G HN 0.315 nan 8.290 nan 0.000 0.592 421 P HA 0.222 nan 4.420 nan 0.000 0.274 421 P C -0.538 176.966 177.300 0.339 0.000 1.237 421 P CA -0.516 62.692 63.100 0.179 0.000 0.793 421 P CB 0.460 32.233 31.700 0.122 0.000 0.977 422 N N 0.680 119.498 118.700 0.198 0.000 2.458 422 N HA 0.158 4.898 4.740 -0.000 0.000 0.258 422 N C 0.005 175.650 175.510 0.225 0.000 1.219 422 N CA 0.306 53.461 53.050 0.175 0.000 0.902 422 N CB -0.162 38.378 38.487 0.087 0.000 1.076 422 N HN 0.654 nan 8.380 nan 0.000 0.455 423 H N -1.947 117.053 119.070 -0.118 0.000 3.037 423 H HA 0.297 4.853 4.556 -0.000 0.000 0.355 423 H C -0.363 174.835 175.328 -0.216 0.000 1.263 423 H CA -0.952 54.974 56.048 -0.204 0.000 1.129 423 H CB 1.314 30.783 29.762 -0.488 0.000 1.861 423 H HN 0.413 nan 8.280 nan 0.000 0.546 424 E N 0.430 120.482 120.200 -0.247 0.000 2.216 424 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 424 E C -0.302 176.066 176.600 -0.387 0.000 0.988 424 E CA 1.023 57.262 56.400 -0.269 0.000 0.834 424 E CB 0.262 29.874 29.700 -0.147 0.000 0.772 424 E HN 0.511 nan 8.360 nan 0.000 0.479 425 D N 0.031 120.119 120.400 -0.519 0.000 2.461 425 D HA 0.108 4.748 4.640 -0.000 0.000 0.240 425 D C -2.092 173.891 176.300 -0.529 0.000 1.094 425 D CA -2.519 51.250 54.000 -0.385 0.000 0.868 425 D CB 1.494 42.196 40.800 -0.163 0.000 1.062 425 D HN -0.282 nan 8.370 nan 0.000 0.530 426 P HA -0.134 nan 4.420 nan 0.000 0.218 426 P C 1.200 178.674 177.300 0.290 0.000 1.149 426 P CA 0.866 63.941 63.100 -0.042 0.000 0.817 426 P CB 0.067 31.818 31.700 0.085 0.000 0.785 427 S N -1.498 114.310 115.700 0.180 0.000 2.595 427 S HA -0.083 4.387 4.470 -0.000 0.000 0.235 427 S C 0.773 175.462 174.600 0.147 0.000 0.974 427 S CA 0.172 58.468 58.200 0.159 0.000 0.942 427 S CB -1.101 62.163 63.200 0.108 0.000 0.766 427 S HN 0.169 nan 8.310 nan 0.000 0.536 428 E N 2.651 122.963 120.200 0.187 0.000 2.376 428 E HA 0.176 4.526 4.350 -0.000 0.000 0.266 428 E C 0.317 177.165 176.600 0.414 0.000 1.009 428 E CA 0.022 56.584 56.400 0.270 0.000 0.902 428 E CB 0.652 30.514 29.700 0.269 0.000 0.972 428 E HN 0.570 nan 8.360 nan 0.000 0.439 429 T N 1.245 115.998 114.554 0.332 0.000 2.899 429 T HA 0.522 4.872 4.350 -0.000 0.000 0.284 429 T C -0.170 174.709 174.700 0.299 0.000 1.004 429 T CA -0.900 61.368 62.100 0.279 0.000 1.043 429 T CB 1.172 70.115 68.868 0.126 0.000 1.013 429 T HN 0.397 nan 8.240 nan 0.000 0.518 430 M N 2.556 122.231 119.600 0.125 0.000 2.277 430 M HA 0.512 4.992 4.480 -0.000 0.000 0.282 430 M C -1.064 175.177 176.300 -0.099 0.000 1.074 430 M CA -1.110 54.111 55.300 -0.132 0.000 0.954 430 M CB 1.109 33.403 32.600 -0.510 0.000 1.672 430 M HN 0.782 nan 8.290 nan 0.000 0.471 431 I N 3.380 123.886 120.570 -0.106 0.000 2.892 431 I HA 0.442 4.612 4.170 -0.000 0.000 0.287 431 I C -2.117 173.954 176.117 -0.077 0.000 1.205 431 I CA -0.979 60.276 61.300 -0.075 0.000 1.409 431 I CB -0.526 37.437 38.000 -0.062 0.000 1.367 431 I HN 0.562 nan 8.210 nan 0.000 0.597 432 P HA -0.011 nan 4.420 nan 0.000 0.267 432 P C -0.407 176.893 177.300 -0.001 0.000 1.205 432 P CA 0.327 63.407 63.100 -0.034 0.000 0.765 432 P CB 0.367 32.034 31.700 -0.054 0.000 0.828 433 H N 1.980 120.997 119.070 -0.088 0.000 2.598 433 H HA 0.026 4.582 4.556 -0.000 0.000 0.371 433 H C 1.405 176.707 175.328 -0.043 0.000 1.468 433 H CA 0.423 56.426 56.048 -0.076 0.000 1.454 433 H CB 1.020 30.733 29.762 -0.081 0.000 1.579 433 H HN 0.425 nan 8.280 nan 0.000 0.611 434 S N 0.398 115.711 115.700 -0.646 0.000 2.469 434 S HA -0.122 4.348 4.470 -0.000 0.000 0.238 434 S C 1.397 175.913 174.600 -0.139 0.000 0.998 434 S CA 0.784 58.765 58.200 -0.365 0.000 0.957 434 S CB 0.107 63.045 63.200 -0.436 0.000 0.764 434 S HN 0.560 nan 8.310 nan 0.000 0.514 435 Q N 0.376 120.168 119.800 -0.012 0.000 2.396 435 Q HA 0.290 4.630 4.340 -0.000 0.000 0.209 435 Q C 2.062 178.100 176.000 0.063 0.000 0.906 435 Q CA 0.364 56.215 55.803 0.081 0.000 0.927 435 Q CB -0.176 28.667 28.738 0.175 0.000 1.069 435 Q HN 0.520 nan 8.270 nan 0.000 0.523 436 R N 1.453 121.987 120.500 0.057 0.000 2.066 436 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 436 R C -0.968 175.311 176.300 -0.034 0.000 1.131 436 R CA 1.436 57.547 56.100 0.018 0.000 0.955 436 R CB -1.334 28.972 30.300 0.009 0.000 0.851 436 R HN 0.162 nan 8.270 nan 0.000 0.432 437 P HA -0.045 nan 4.420 nan 0.000 0.218 437 P C 1.022 178.346 177.300 0.040 0.000 1.149 437 P CA 1.178 64.239 63.100 -0.064 0.000 0.817 437 P CB -0.005 31.740 31.700 0.075 0.000 0.785 438 I N -0.702 119.904 120.570 0.059 0.000 2.252 438 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 438 I C 2.708 178.841 176.117 0.027 0.000 1.102 438 I CA 1.471 62.806 61.300 0.057 0.000 1.385 438 I CB -0.539 37.480 38.000 0.032 0.000 1.064 438 I HN -0.024 nan 8.210 nan 0.000 0.414 439 Q N 0.320 120.130 119.800 0.018 0.000 2.119 439 Q HA -0.201 4.139 4.340 -0.000 0.000 0.201 439 Q C 2.231 178.244 176.000 0.021 0.000 0.972 439 Q CA 1.331 57.148 55.803 0.024 0.000 0.847 439 Q CB 0.104 28.868 28.738 0.042 0.000 0.903 439 Q HN 0.325 nan 8.270 nan 0.000 0.433 440 L N 0.212 121.416 121.223 -0.031 0.000 2.141 440 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 440 L C 2.268 179.137 176.870 -0.001 0.000 1.094 440 L CA 1.466 56.252 54.840 -0.089 0.000 0.763 440 L CB -0.789 41.101 42.059 -0.282 0.000 0.908 440 L HN 0.349 nan 8.230 nan 0.000 0.437 441 M N -0.897 118.761 119.600 0.097 0.000 2.254 441 M HA -0.135 4.345 4.480 -0.000 0.000 0.265 441 M C 2.472 178.914 176.300 0.237 0.000 1.066 441 M CA 1.636 57.091 55.300 0.258 0.000 1.123 441 M CB -0.315 32.491 32.600 0.343 0.000 1.388 441 M HN 0.352 nan 8.290 nan 0.000 0.425 442 S N -0.296 115.484 115.700 0.133 0.000 2.368 442 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 442 S C 1.893 176.716 174.600 0.371 0.000 1.029 442 S CA 1.360 59.642 58.200 0.136 0.000 0.988 442 S CB -1.120 61.995 63.200 -0.142 0.000 0.838 442 S HN 0.569 nan 8.310 nan 0.000 0.462 443 L N 0.719 122.088 121.223 0.243 0.000 2.093 443 L HA 0.053 4.393 4.340 -0.000 0.000 0.208 443 L C 2.652 179.664 176.870 0.236 0.000 1.085 443 L CA 0.822 55.801 54.840 0.233 0.000 0.755 443 L CB -0.636 41.499 42.059 0.126 0.000 0.904 443 L HN 0.271 nan 8.230 nan 0.000 0.435 444 L N -0.343 121.003 121.223 0.206 0.000 2.012 444 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 444 L C 2.698 179.837 176.870 0.448 0.000 1.073 444 L CA 1.580 56.558 54.840 0.230 0.000 0.748 444 L CB -1.175 41.017 42.059 0.222 0.000 0.891 444 L HN 0.348 nan 8.230 nan 0.000 0.431 445 G N -0.565 108.523 108.800 0.480 0.000 2.529 445 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.219 445 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.219 445 G C 1.404 176.539 174.900 0.390 0.000 1.177 445 G CA 0.811 46.213 45.100 0.503 0.000 0.773 445 G HN 0.335 nan 8.290 nan 0.000 0.573 446 E N 0.916 121.344 120.200 0.382 0.000 2.058 446 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 446 E C 2.974 179.842 176.600 0.446 0.000 0.997 446 E CA 1.190 57.774 56.400 0.306 0.000 0.801 446 E CB -0.692 29.186 29.700 0.297 0.000 0.746 446 E HN 0.393 nan 8.360 nan 0.000 0.450 447 A N 1.477 124.600 122.820 0.505 0.000 2.024 447 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 447 A C 2.375 180.392 177.584 0.722 0.000 1.164 447 A CA 1.761 54.196 52.037 0.662 0.000 0.643 447 A CB -0.468 18.725 19.000 0.321 0.000 0.806 447 A HN 0.264 nan 8.150 nan 0.000 0.451 448 A N -0.311 122.873 122.820 0.607 0.000 2.067 448 A HA 0.075 4.395 4.320 -0.000 0.000 0.219 448 A C 1.746 179.544 177.584 0.357 0.000 1.158 448 A CA 1.185 53.474 52.037 0.420 0.000 0.661 448 A CB -0.485 18.694 19.000 0.297 0.000 0.801 448 A HN 0.511 nan 8.150 nan 0.000 0.452 449 L N -1.329 120.085 121.223 0.318 0.000 2.627 449 L HA 0.127 4.467 4.340 -0.000 0.000 0.232 449 L C 1.447 178.409 176.870 0.155 0.000 1.150 449 L CA 0.056 55.029 54.840 0.222 0.000 0.917 449 L CB -0.331 41.779 42.059 0.084 0.000 1.104 449 L HN 0.389 nan 8.230 nan 0.000 0.445 450 H N 0.335 119.583 119.070 0.295 0.000 2.652 450 H HA 0.303 4.859 4.556 -0.000 0.000 0.274 450 H C 1.058 176.508 175.328 0.204 0.000 1.021 450 H CA 0.739 56.926 56.048 0.232 0.000 1.187 450 H CB 1.084 30.999 29.762 0.254 0.000 1.505 450 H HN 0.341 nan 8.280 nan 0.000 0.530 451 G N 1.396 110.360 108.800 0.274 0.000 2.746 451 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.685 451 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.685 451 G C -2.041 172.995 174.900 0.227 0.000 1.350 451 G CA -0.482 44.721 45.100 0.172 0.000 0.837 451 G HN 0.017 nan 8.290 nan 0.000 0.564 452 P HA 0.034 nan 4.420 nan 0.000 0.217 452 P C 2.227 179.643 177.300 0.193 0.000 1.150 452 P CA 2.724 65.918 63.100 0.156 0.000 0.832 452 P CB 0.004 31.752 31.700 0.080 0.000 0.787 453 A N -1.035 121.891 122.820 0.177 0.000 1.877 453 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 453 A C 2.117 179.821 177.584 0.201 0.000 1.186 453 A CA 1.367 53.500 52.037 0.160 0.000 0.620 453 A CB -1.816 17.267 19.000 0.139 0.000 0.822 453 A HN 0.116 nan 8.150 nan 0.000 0.443 454 F N -1.225 118.786 119.950 0.101 0.000 2.186 454 F HA -0.125 4.402 4.527 0.000 0.000 0.299 454 F C 2.106 177.967 175.800 0.101 0.000 1.090 454 F CA 1.489 59.533 58.000 0.073 0.000 1.307 454 F CB -0.532 38.496 39.000 0.047 0.000 1.019 454 F HN 0.379 nan 8.300 nan 0.000 0.489 455 Y N -0.192 120.165 120.300 0.095 0.000 2.181 455 Y HA -0.216 4.334 4.550 -0.000 0.000 0.288 455 Y C 2.885 178.753 175.900 -0.055 0.000 1.146 455 Y CA 1.882 59.991 58.100 0.015 0.000 1.164 455 Y CB -0.848 37.673 38.460 0.103 0.000 0.982 455 Y HN 0.122 nan 8.280 nan 0.000 0.515 456 S N -0.203 115.542 115.700 0.074 0.000 2.382 456 S HA -0.241 4.229 4.470 -0.000 0.000 0.228 456 S C 2.194 176.719 174.600 -0.125 0.000 1.027 456 S CA 1.710 59.905 58.200 -0.009 0.000 0.991 456 S CB -0.429 62.802 63.200 0.052 0.000 0.823 456 S HN 0.559 nan 8.310 nan 0.000 0.469 457 K N 0.152 120.448 120.400 -0.173 0.000 2.025 457 K HA -0.017 4.303 4.320 -0.000 0.000 0.207 457 K C 1.872 178.263 176.600 -0.350 0.000 1.049 457 K CA 1.404 57.555 56.287 -0.227 0.000 0.933 457 K CB -0.172 32.196 32.500 -0.220 0.000 0.714 457 K HN 0.346 nan 8.250 nan 0.000 0.438 458 I N 1.147 121.397 120.570 -0.535 0.000 2.439 458 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 458 I C 2.156 178.032 176.117 -0.401 0.000 1.139 458 I CA 1.057 62.048 61.300 -0.516 0.000 1.438 458 I CB -1.059 36.576 38.000 -0.609 0.000 1.085 458 I HN 0.096 nan 8.210 nan 0.000 0.427 459 S N 0.829 116.271 115.700 -0.429 0.000 2.368 459 S HA -0.165 4.305 4.470 -0.000 0.000 0.225 459 S C 1.957 176.449 174.600 -0.180 0.000 1.030 459 S CA 1.282 59.299 58.200 -0.305 0.000 0.999 459 S CB -0.047 62.983 63.200 -0.284 0.000 0.844 459 S HN 0.247 nan 8.310 nan 0.000 0.459 460 K N 1.173 121.473 120.400 -0.167 0.000 2.211 460 K HA 0.146 4.466 4.320 -0.000 0.000 0.203 460 K C 1.688 178.208 176.600 -0.133 0.000 1.050 460 K CA 0.706 56.923 56.287 -0.117 0.000 0.945 460 K CB -0.275 32.170 32.500 -0.091 0.000 0.732 460 K HN 0.303 nan 8.250 nan 0.000 0.451 461 L N -0.886 120.224 121.223 -0.189 0.000 2.162 461 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 461 L C 1.967 178.706 176.870 -0.218 0.000 1.086 461 L CA 0.351 55.061 54.840 -0.217 0.000 0.778 461 L CB -0.285 41.584 42.059 -0.317 0.000 0.928 461 L HN -0.107 nan 8.230 nan 0.000 0.446 462 V N 0.453 120.230 119.914 -0.229 0.000 2.287 462 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 462 V C 2.324 178.295 176.094 -0.205 0.000 1.053 462 V CA 1.989 64.135 62.300 -0.256 0.000 1.027 462 V CB -0.348 31.312 31.823 -0.272 0.000 0.646 462 V HN 0.317 nan 8.190 nan 0.000 0.447 463 I N 0.309 120.810 120.570 -0.115 0.000 2.252 463 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 463 I C 2.550 178.621 176.117 -0.077 0.000 1.102 463 I CA 1.509 62.773 61.300 -0.059 0.000 1.385 463 I CB -0.492 37.492 38.000 -0.027 0.000 1.064 463 I HN 0.287 nan 8.210 nan 0.000 0.414 464 A N -0.222 122.545 122.820 -0.089 0.000 2.016 464 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 464 A C 2.299 179.834 177.584 -0.082 0.000 1.162 464 A CA 1.115 53.107 52.037 -0.074 0.000 0.662 464 A CB -0.405 18.556 19.000 -0.065 0.000 0.812 464 A HN 0.443 nan 8.150 nan 0.000 0.450 465 E N 0.218 120.349 120.200 -0.115 0.000 2.015 465 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 465 E C 1.881 178.418 176.600 -0.105 0.000 0.991 465 E CA 1.107 57.439 56.400 -0.114 0.000 0.802 465 E CB -0.198 29.411 29.700 -0.152 0.000 0.759 465 E HN 0.607 nan 8.360 nan 0.000 0.447 466 L N 0.607 121.750 121.223 -0.133 0.000 2.131 466 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 466 L C 2.704 179.529 176.870 -0.074 0.000 1.092 466 L CA 1.065 55.835 54.840 -0.117 0.000 0.759 466 L CB -0.384 41.578 42.059 -0.162 0.000 0.903 466 L HN 0.081 nan 8.230 nan 0.000 0.435 467 K N 0.767 121.128 120.400 -0.065 0.000 2.057 467 K HA -0.204 4.116 4.320 -0.000 0.000 0.207 467 K C 2.000 178.576 176.600 -0.040 0.000 1.049 467 K CA 1.373 57.631 56.287 -0.048 0.000 0.931 467 K CB -0.035 32.440 32.500 -0.042 0.000 0.714 467 K HN 0.190 nan 8.250 nan 0.000 0.440 468 E N -1.014 119.160 120.200 -0.042 0.000 2.118 468 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 468 E C 1.736 178.317 176.600 -0.032 0.000 0.992 468 E CA 1.172 57.552 56.400 -0.033 0.000 0.804 468 E CB -0.203 29.478 29.700 -0.031 0.000 0.741 468 E HN 0.564 nan 8.360 nan 0.000 0.458 469 G N -1.015 107.760 108.800 -0.042 0.000 2.598 469 G HA2 0.003 3.963 3.960 -0.000 0.000 0.215 469 G HA3 0.003 3.963 3.960 -0.000 0.000 0.215 469 G C 1.040 175.920 174.900 -0.035 0.000 1.131 469 G CA 0.704 45.780 45.100 -0.041 0.000 0.785 469 G HN 0.488 nan 8.290 nan 0.000 0.539 470 G N -1.148 107.632 108.800 -0.034 0.000 2.307 470 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.210 470 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.210 470 G C 0.404 175.284 174.900 -0.032 0.000 1.005 470 G CA 0.174 45.257 45.100 -0.028 0.000 0.634 470 G HN 0.302 nan 8.290 nan 0.000 0.496 471 M N 2.994 122.571 119.600 -0.038 0.000 2.277 471 M HA 0.352 4.832 4.480 -0.000 0.000 0.350 471 M C -0.859 175.404 176.300 -0.062 0.000 1.180 471 M CA -0.331 54.941 55.300 -0.047 0.000 1.103 471 M CB 0.953 33.533 32.600 -0.034 0.000 1.577 471 M HN 0.407 nan 8.290 nan 0.000 0.459 472 D N 3.919 124.265 120.400 -0.091 0.000 2.412 472 D HA 0.175 4.815 4.640 -0.000 0.000 0.224 472 D C -0.500 175.682 176.300 -0.197 0.000 1.093 472 D CA -0.366 53.575 54.000 -0.097 0.000 0.850 472 D CB 0.706 41.458 40.800 -0.080 0.000 1.046 472 D HN 0.251 nan 8.370 nan 0.000 0.507 473 F N 2.375 122.120 119.950 -0.341 0.000 2.496 473 F HA 0.079 4.606 4.527 -0.000 0.000 0.344 473 F C -0.102 175.455 175.800 -0.405 0.000 1.155 473 F CA -0.591 57.114 58.000 -0.493 0.000 1.302 473 F CB 0.430 39.282 39.000 -0.246 0.000 1.159 473 F HN 0.240 nan 8.300 nan 0.000 0.595 474 Y N 3.176 123.046 120.300 -0.716 0.000 2.751 474 Y HA 0.497 5.047 4.550 -0.000 0.000 0.333 474 Y C -0.310 175.237 175.900 -0.588 0.000 1.122 474 Y CA -1.548 56.225 58.100 -0.544 0.000 1.367 474 Y CB -0.838 37.332 38.460 -0.483 0.000 1.242 474 Y HN 0.120 nan 8.280 nan 0.000 0.505 475 V N 5.457 125.307 119.914 -0.105 0.000 2.455 475 V HA 0.244 4.364 4.120 -0.000 0.000 0.273 475 V C -1.808 174.274 176.094 -0.020 0.000 1.045 475 V CA -1.718 60.610 62.300 0.047 0.000 0.976 475 V CB 0.755 32.658 31.823 0.134 0.000 0.993 475 V HN 0.529 nan 8.190 nan 0.000 0.475 476 P HA 0.280 nan 4.420 nan 0.000 0.271 476 P C 0.031 177.343 177.300 0.021 0.000 1.216 476 P CA -0.361 62.615 63.100 -0.208 0.000 0.776 476 P CB 0.520 31.965 31.700 -0.426 0.000 0.881 477 R N 1.254 121.715 120.500 -0.066 0.000 2.784 477 R HA -0.006 4.334 4.340 -0.000 0.000 0.266 477 R C 1.635 177.845 176.300 -0.149 0.000 1.044 477 R CA 0.037 56.122 56.100 -0.024 0.000 1.151 477 R CB 0.141 30.407 30.300 -0.056 0.000 1.037 477 R HN 0.568 nan 8.270 nan 0.000 0.478 478 Q N 1.436 121.025 119.800 -0.353 0.000 2.030 478 Q HA -0.275 4.065 4.340 -0.000 0.000 0.204 478 Q C 1.595 177.455 176.000 -0.233 0.000 0.986 478 Q CA 1.935 57.337 55.803 -0.669 0.000 0.843 478 Q CB 0.061 28.416 28.738 -0.640 0.000 0.904 478 Q HN 0.618 nan 8.270 nan 0.000 0.420 479 E N -0.634 119.491 120.200 -0.124 0.000 2.038 479 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 479 E C -0.798 175.882 176.600 0.132 0.000 1.000 479 E CA 1.564 57.965 56.400 0.000 0.000 0.803 479 E CB -0.548 29.141 29.700 -0.018 0.000 0.750 479 E HN 0.375 nan 8.360 nan 0.000 0.448 480 P HA -0.202 nan 4.420 nan 0.000 0.215 480 P C 1.389 178.916 177.300 0.378 0.000 1.157 480 P CA 1.421 64.633 63.100 0.186 0.000 0.874 480 P CB -0.093 31.595 31.700 -0.020 0.000 0.790 481 M N -1.738 118.037 119.600 0.292 0.000 2.117 481 M HA -0.104 4.376 4.480 -0.000 0.000 0.262 481 M C 1.963 178.484 176.300 0.368 0.000 1.065 481 M CA 1.686 57.273 55.300 0.479 0.000 1.114 481 M CB -1.427 31.384 32.600 0.351 0.000 1.361 481 M HN -0.191 nan 8.290 nan 0.000 0.408 482 F N 0.740 120.725 119.950 0.060 0.000 2.095 482 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 482 F C 2.103 177.829 175.800 -0.124 0.000 1.104 482 F CA 1.795 59.753 58.000 -0.070 0.000 1.232 482 F CB -0.299 38.626 39.000 -0.125 0.000 0.987 482 F HN 0.093 nan 8.300 nan 0.000 0.475 483 R N 0.198 120.810 120.500 0.186 0.000 2.083 483 R HA -0.261 4.079 4.340 -0.000 0.000 0.237 483 R C 2.282 178.608 176.300 0.043 0.000 1.137 483 R CA 1.782 57.963 56.100 0.135 0.000 0.951 483 R CB -1.986 28.523 30.300 0.349 0.000 0.851 483 R HN 0.634 nan 8.270 nan 0.000 0.434 484 W N 0.846 122.161 121.300 0.026 0.000 2.388 484 W HA -0.127 4.533 4.660 0.000 0.000 0.294 484 W C 1.313 177.768 176.519 -0.107 0.000 1.212 484 W CA 0.784 58.119 57.345 -0.017 0.000 1.271 484 W CB -0.023 29.439 29.460 0.003 0.000 1.126 484 W HN -0.012 nan 8.180 nan 0.000 0.535 485 M N 0.726 120.142 119.600 -0.306 0.000 2.229 485 M HA -0.120 4.360 4.480 -0.000 0.000 0.264 485 M C 1.954 177.865 176.300 -0.650 0.000 1.063 485 M CA 1.446 56.460 55.300 -0.476 0.000 1.114 485 M CB -1.008 31.417 32.600 -0.292 0.000 1.387 485 M HN -0.039 nan 8.290 nan 0.000 0.420 486 R N -0.518 119.474 120.500 -0.846 0.000 2.064 486 R HA 0.136 4.476 4.340 -0.000 0.000 0.210 486 R C 1.544 177.430 176.300 -0.689 0.000 1.221 486 R CA 0.944 56.431 56.100 -1.023 0.000 1.055 486 R CB -0.726 28.484 30.300 -1.816 0.000 0.946 486 R HN 0.296 nan 8.270 nan 0.000 0.459 487 F N 1.200 121.009 119.950 -0.235 0.000 2.660 487 F HA 0.336 4.863 4.527 -0.000 0.000 0.302 487 F C 0.597 176.327 175.800 -0.118 0.000 1.103 487 F CA -0.801 57.119 58.000 -0.134 0.000 1.340 487 F CB -0.306 38.661 39.000 -0.055 0.000 1.048 487 F HN -0.147 nan 8.300 nan 0.000 0.551 488 S N 0.920 116.526 115.700 -0.157 0.000 3.549 488 S HA -0.273 4.197 4.470 -0.000 0.000 0.366 488 S C -0.042 174.665 174.600 0.178 0.000 1.012 488 S CA 1.028 59.094 58.200 -0.223 0.000 1.141 488 S CB -1.375 61.663 63.200 -0.271 0.000 0.910 488 S HN 0.694 nan 8.310 nan 0.000 0.471 489 D N 0.338 120.906 120.400 0.280 0.000 2.185 489 D HA 0.587 5.227 4.640 -0.000 0.000 0.247 489 D C 0.594 177.117 176.300 0.370 0.000 1.027 489 D CA -0.853 53.333 54.000 0.310 0.000 0.861 489 D CB 0.793 41.772 40.800 0.298 0.000 1.202 489 D HN 0.278 nan 8.370 nan 0.000 0.453 490 L N 1.169 122.550 121.223 0.264 0.000 3.483 490 L HA 0.337 4.677 4.340 -0.000 0.000 0.327 490 L C 0.933 177.923 176.870 0.200 0.000 1.318 490 L CA -0.439 54.539 54.840 0.229 0.000 0.979 490 L CB 0.004 42.050 42.059 -0.023 0.000 1.404 490 L HN 0.312 nan 8.230 nan 0.000 0.615 491 S N -1.426 114.378 115.700 0.173 0.000 2.442 491 S HA -0.188 4.282 4.470 -0.000 0.000 0.236 491 S C 1.691 176.372 174.600 0.134 0.000 1.007 491 S CA 1.717 59.995 58.200 0.129 0.000 0.965 491 S CB -0.447 62.817 63.200 0.106 0.000 0.773 491 S HN 0.618 nan 8.310 nan 0.000 0.504 492 T N -0.645 114.015 114.554 0.177 0.000 3.040 492 T HA 0.089 4.439 4.350 -0.000 0.000 0.250 492 T C 0.141 174.931 174.700 0.151 0.000 1.058 492 T CA -0.673 61.513 62.100 0.143 0.000 0.988 492 T CB -0.361 68.593 68.868 0.143 0.000 0.993 492 T HN 0.571 nan 8.240 nan 0.000 0.519 493 W N 3.648 124.955 121.300 0.012 0.000 2.469 493 W HA 0.242 4.902 4.660 -0.000 0.000 0.321 493 W C -0.526 175.966 176.519 -0.045 0.000 1.415 493 W CA -0.267 57.062 57.345 -0.027 0.000 1.308 493 W CB 0.368 29.782 29.460 -0.077 0.000 1.368 493 W HN 0.295 nan 8.180 nan 0.000 0.546 494 E N 3.471 123.484 120.200 -0.312 0.000 2.301 494 E HA 0.416 4.766 4.350 -0.000 0.000 0.275 494 E C 0.705 177.174 176.600 -0.219 0.000 1.030 494 E CA 0.284 56.560 56.400 -0.207 0.000 0.852 494 E CB 1.492 31.064 29.700 -0.214 0.000 1.060 494 E HN 0.717 nan 8.360 nan 0.000 0.401 495 G N 3.375 112.127 108.800 -0.079 0.000 2.598 495 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 495 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 495 G C -0.304 174.613 174.900 0.030 0.000 1.302 495 G CA -0.171 44.888 45.100 -0.069 0.000 0.903 495 G HN 0.638 nan 8.290 nan 0.000 0.575 496 D N 0.744 121.116 120.400 -0.046 0.000 2.502 496 D HA 0.123 4.763 4.640 -0.000 0.000 0.249 496 D C 1.912 178.252 176.300 0.068 0.000 1.188 496 D CA 0.120 54.095 54.000 -0.042 0.000 0.890 496 D CB 0.378 41.078 40.800 -0.166 0.000 1.140 496 D HN 0.471 nan 8.370 nan 0.000 0.505 497 R N 3.019 123.484 120.500 -0.059 0.000 2.193 497 R HA -0.010 4.330 4.340 -0.000 0.000 0.213 497 R C 1.150 177.161 176.300 -0.482 0.000 1.055 497 R CA 0.335 56.238 56.100 -0.328 0.000 0.995 497 R CB 0.098 30.244 30.300 -0.258 0.000 0.893 497 R HN 0.438 nan 8.270 nan 0.000 0.459 498 N N 0.858 119.389 118.700 -0.281 0.000 2.512 498 N HA -0.063 4.677 4.740 -0.000 0.000 0.183 498 N C 1.475 176.835 175.510 -0.250 0.000 1.073 498 N CA 0.746 53.642 53.050 -0.256 0.000 0.911 498 N CB 0.154 38.550 38.487 -0.153 0.000 0.964 498 N HN 0.265 nan 8.380 nan 0.000 0.447 499 L N 0.482 121.571 121.223 -0.222 0.000 2.492 499 L HA 0.180 4.520 4.340 -0.000 0.000 0.223 499 L C 0.758 177.539 176.870 -0.147 0.000 1.132 499 L CA -0.267 54.516 54.840 -0.095 0.000 0.850 499 L CB -0.219 41.842 42.059 0.005 0.000 0.966 499 L HN -0.023 nan 8.230 nan 0.000 0.454 500 A N 2.190 124.615 122.820 -0.659 0.000 2.522 500 A HA 0.229 4.549 4.320 -0.000 0.000 0.256 500 A C -2.047 175.266 177.584 -0.451 0.000 1.086 500 A CA -0.923 50.440 52.037 -1.123 0.000 0.763 500 A CB -0.650 16.778 19.000 -2.620 0.000 1.024 500 A HN -0.012 nan 8.150 nan 0.000 0.502 501 P HA 0.157 nan 4.420 nan 0.000 0.271 501 P C -0.039 177.418 177.300 0.261 0.000 1.216 501 P CA 0.056 63.215 63.100 0.098 0.000 0.776 501 P CB 1.044 32.807 31.700 0.105 0.000 0.881 502 S N 1.855 117.551 115.700 -0.008 0.000 2.718 502 S HA 0.746 5.216 4.470 -0.000 0.000 0.300 502 S C -0.909 173.516 174.600 -0.291 0.000 1.117 502 S CA -0.603 57.632 58.200 0.058 0.000 1.002 502 S CB 0.817 64.066 63.200 0.082 0.000 1.092 502 S HN 0.250 nan 8.310 nan 0.000 0.542 503 F N 0.714 120.711 119.950 0.079 0.000 2.536 503 F HA 0.423 4.950 4.527 0.000 0.000 0.322 503 F C 0.033 175.861 175.800 0.047 0.000 1.144 503 F CA -0.976 57.060 58.000 0.060 0.000 0.924 503 F CB 2.020 41.045 39.000 0.041 0.000 1.181 503 F HN 0.637 nan 8.300 nan 0.000 0.438 504 V N 0.944 120.969 119.914 0.184 0.000 3.051 504 V HA 0.336 4.456 4.120 -0.000 0.000 0.306 504 V C 0.482 176.663 176.094 0.146 0.000 1.083 504 V CA -0.923 61.458 62.300 0.133 0.000 1.104 504 V CB 0.196 32.077 31.823 0.097 0.000 1.027 504 V HN 0.673 nan 8.190 nan 0.000 0.483 505 N N 1.649 120.417 118.700 0.114 0.000 2.254 505 N HA 0.007 4.747 4.740 -0.000 0.000 0.272 505 N C 0.387 175.970 175.510 0.122 0.000 1.295 505 N CA 0.384 53.499 53.050 0.109 0.000 0.934 505 N CB -0.417 38.127 38.487 0.095 0.000 1.033 505 N HN 0.919 nan 8.380 nan 0.000 0.467 506 E N 0.524 120.812 120.200 0.147 0.000 2.038 506 E HA -0.250 4.100 4.350 -0.000 0.000 0.181 506 E C -0.680 175.997 176.600 0.129 0.000 1.383 506 E CA 0.699 57.225 56.400 0.210 0.000 0.677 506 E CB -1.741 28.086 29.700 0.212 0.000 1.051 506 E HN 0.404 nan 8.360 nan 0.000 0.317 507 D N 0.000 120.441 120.400 0.069 0.000 6.856 507 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 507 D CA 0.000 53.973 54.000 -0.046 0.000 0.868 507 D CB 0.000 40.791 40.800 -0.014 0.000 0.688 507 D HN 0.000 nan 8.370 nan 0.000 0.683