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 2b43_1_C DATA FIRST_RESID 6 DATA SEQUENCE GTYCGAPILG PGSAPKLSTK TKFWRSSTTP LPPGTYEPAY LGGKDPRVKG DATA SEQUENCE GPSLQQVMRD QLKPFTEPRG KPPKPSVLEA AKKTIINVLE QTIDPPEKWS DATA SEQUENCE FTQACASLDK TTSSGHPHHM RKNDCWNGES FTGKLADQAS KANLMFEGGK DATA SEQUENCE NMTPVYTGAL KDELVKTDKI YGKIKKRLLW GSDLATMIRC ARAFGGLMDE DATA SEQUENCE LKAHCVTLPI RVGMNMNEDG PIIFERHSRY KYHYDADYSR WDSTQQRAVL DATA SEQUENCE AAALEIMVKF SSEPHLAQVV AEDLLSPSVV DVGDFKISIN 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 E 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 3.956 3.960 -0.006 0.000 0.244 6 G C 0.000 174.826 174.900 -0.123 0.000 0.946 6 G CA 0.000 45.040 45.100 -0.100 0.000 0.502 7 T N 0.165 114.670 114.554 -0.081 0.000 2.887 7 T HA 0.573 4.920 4.350 -0.006 0.000 0.288 7 T C -1.739 172.967 174.700 0.010 0.000 1.021 7 T CA -0.425 61.647 62.100 -0.048 0.000 1.000 7 T CB 1.683 70.534 68.868 -0.030 0.000 1.034 7 T HN 0.141 nan 8.240 nan 0.000 0.467 8 Y N 3.077 123.305 120.300 -0.120 0.000 2.464 8 Y HA 0.318 4.865 4.550 -0.006 0.000 0.326 8 Y C 0.678 176.566 175.900 -0.021 0.000 0.969 8 Y CA -1.110 56.951 58.100 -0.065 0.000 1.270 8 Y CB -0.273 38.158 38.460 -0.047 0.000 1.103 8 Y HN 0.971 nan 8.280 nan 0.000 0.491 9 C N 3.032 122.193 119.300 -0.231 0.000 3.409 9 C HA -0.115 4.341 4.460 -0.006 0.000 0.273 9 C C 1.689 176.658 174.990 -0.035 0.000 1.375 9 C CA 0.530 59.466 59.018 -0.135 0.000 2.175 9 C CB -2.523 25.130 27.740 -0.145 0.000 1.410 9 C HN 1.683 nan 8.230 nan 0.000 0.550 10 G N -1.182 107.604 108.800 -0.024 0.000 2.189 10 G HA2 0.121 4.077 3.960 -0.006 0.000 0.267 10 G HA3 0.121 4.077 3.960 -0.006 0.000 0.267 10 G C 0.255 175.166 174.900 0.017 0.000 0.975 10 G CA 0.645 45.742 45.100 -0.004 0.000 0.644 10 G HN 2.541 nan 8.290 nan 0.000 0.537 11 A N 0.881 123.723 122.820 0.038 0.000 2.331 11 A HA 0.742 5.058 4.320 -0.006 0.000 0.283 11 A C -1.737 175.866 177.584 0.031 0.000 1.142 11 A CA -1.180 50.888 52.037 0.051 0.000 0.812 11 A CB 0.793 19.841 19.000 0.081 0.000 1.074 11 A HN 0.158 nan 8.150 nan 0.000 0.497 12 P HA 0.242 nan 4.420 nan 0.000 0.271 12 P C -0.677 176.599 177.300 -0.041 0.000 1.218 12 P CA 0.163 63.253 63.100 -0.016 0.000 0.780 12 P CB 0.430 32.126 31.700 -0.008 0.000 0.901 13 I N 3.156 123.669 120.570 -0.094 0.000 2.342 13 I HA 0.147 4.313 4.170 -0.006 0.000 0.291 13 I C 1.362 177.425 176.117 -0.089 0.000 1.010 13 I CA -0.151 61.057 61.300 -0.154 0.000 1.308 13 I CB 0.748 38.535 38.000 -0.355 0.000 1.400 13 I HN 0.274 nan 8.210 nan 0.000 0.488 14 L N 5.472 126.663 121.223 -0.054 0.000 2.537 14 L HA 0.476 4.812 4.340 -0.006 0.000 0.224 14 L C 0.969 177.831 176.870 -0.014 0.000 1.065 14 L CA 0.048 54.871 54.840 -0.028 0.000 0.860 14 L CB 0.169 42.215 42.059 -0.022 0.000 1.086 14 L HN 0.802 nan 8.230 nan 0.000 0.482 15 G N -0.524 108.279 108.800 0.004 0.000 2.321 15 G HA2 0.263 4.219 3.960 -0.006 0.000 0.296 15 G HA3 0.263 4.219 3.960 -0.006 0.000 0.296 15 G C -3.098 171.844 174.900 0.070 0.000 1.287 15 G CA -0.584 44.532 45.100 0.026 0.000 0.846 15 G HN -0.322 nan 8.290 nan 0.000 0.508 16 P HA 0.461 nan 4.420 nan 0.000 0.277 16 P C 0.291 177.603 177.300 0.019 0.000 1.240 16 P CA 0.116 63.249 63.100 0.054 0.000 0.798 16 P CB 1.471 33.191 31.700 0.033 0.000 0.979 17 G N -0.181 108.603 108.800 -0.027 0.000 2.437 17 G HA2 0.454 4.410 3.960 -0.006 0.000 0.319 17 G HA3 0.454 4.410 3.960 -0.006 0.000 0.319 17 G C 0.287 175.177 174.900 -0.017 0.000 1.158 17 G CA -0.579 44.496 45.100 -0.041 0.000 0.899 17 G HN 0.510 nan 8.290 nan 0.000 0.502 18 S N -1.055 114.669 115.700 0.040 0.000 2.847 18 S HA 0.506 4.972 4.470 -0.006 0.000 0.254 18 S C 0.893 175.482 174.600 -0.018 0.000 1.039 18 S CA 0.388 58.623 58.200 0.059 0.000 1.113 18 S CB 0.251 63.542 63.200 0.152 0.000 1.092 18 S HN 1.190 nan 8.310 nan 0.000 0.620 19 A N 3.270 126.033 122.820 -0.095 0.000 2.540 19 A HA 0.509 4.825 4.320 -0.006 0.000 0.239 19 A C -2.232 175.164 177.584 -0.314 0.000 1.061 19 A CA -0.613 51.224 52.037 -0.332 0.000 0.758 19 A CB -0.700 18.192 19.000 -0.181 0.000 0.991 19 A HN 0.328 nan 8.150 nan 0.000 0.502 20 P HA 0.141 nan 4.420 nan 0.000 0.268 20 P C -0.404 176.804 177.300 -0.154 0.000 1.208 20 P CA -0.091 62.875 63.100 -0.223 0.000 0.777 20 P CB 0.361 31.942 31.700 -0.197 0.000 0.875 21 K N 1.369 121.703 120.400 -0.111 0.000 2.485 21 K HA 0.083 4.399 4.320 -0.006 0.000 0.277 21 K C -0.074 176.478 176.600 -0.080 0.000 0.990 21 K CA -0.304 55.928 56.287 -0.092 0.000 0.994 21 K CB -0.167 32.288 32.500 -0.074 0.000 0.906 21 K HN 0.257 nan 8.250 nan 0.000 0.488 22 L N 2.450 123.629 121.223 -0.073 0.000 2.601 22 L HA -0.050 4.286 4.340 -0.006 0.000 0.277 22 L C 0.660 177.494 176.870 -0.060 0.000 1.219 22 L CA 0.792 55.597 54.840 -0.059 0.000 0.915 22 L CB 0.300 42.330 42.059 -0.048 0.000 1.160 22 L HN 0.607 nan 8.230 nan 0.000 0.494 23 S N 1.598 117.266 115.700 -0.052 0.000 2.549 23 S HA 0.157 4.624 4.470 -0.006 0.000 0.283 23 S C 1.009 175.561 174.600 -0.080 0.000 1.320 23 S CA 0.100 58.268 58.200 -0.053 0.000 1.058 23 S CB 0.314 63.495 63.200 -0.033 0.000 0.882 23 S HN 0.788 nan 8.310 nan 0.000 0.498 24 T N 1.691 116.191 114.554 -0.089 0.000 3.174 24 T HA 0.347 4.694 4.350 -0.006 0.000 0.269 24 T C -0.064 174.561 174.700 -0.125 0.000 1.017 24 T CA -0.500 61.521 62.100 -0.131 0.000 0.899 24 T CB -0.007 68.783 68.868 -0.130 0.000 1.077 24 T HN 0.418 nan 8.240 nan 0.000 0.552 25 K N 1.059 121.408 120.400 -0.085 0.000 2.208 25 K HA 0.652 4.968 4.320 -0.006 0.000 0.247 25 K C -0.773 175.799 176.600 -0.047 0.000 0.953 25 K CA -0.597 55.648 56.287 -0.070 0.000 0.837 25 K CB 2.037 34.528 32.500 -0.015 0.000 1.131 25 K HN 0.081 nan 8.250 nan 0.000 0.431 26 T N 0.385 114.912 114.554 -0.044 0.000 2.887 26 T HA 0.177 4.524 4.350 -0.006 0.000 0.288 26 T C 0.663 175.430 174.700 0.112 0.000 1.021 26 T CA -0.691 61.428 62.100 0.031 0.000 1.000 26 T CB 0.884 69.767 68.868 0.025 0.000 1.034 26 T HN 0.640 nan 8.240 nan 0.000 0.467 27 K N 3.159 123.575 120.400 0.028 0.000 2.444 27 K HA 0.098 4.414 4.320 -0.006 0.000 0.193 27 K C -0.537 176.084 176.600 0.035 0.000 1.024 27 K CA 0.129 56.416 56.287 0.001 0.000 1.077 27 K CB -0.084 32.318 32.500 -0.163 0.000 0.833 27 K HN 0.472 nan 8.250 nan 0.000 0.517 28 F N 1.054 121.156 119.950 0.253 0.000 2.396 28 F HA 0.303 4.826 4.527 -0.005 0.000 0.343 28 F C -0.134 175.990 175.800 0.540 0.000 1.104 28 F CA -0.512 57.695 58.000 0.345 0.000 1.161 28 F CB 0.493 39.505 39.000 0.021 0.000 1.146 28 F HN -0.076 nan 8.300 nan 0.000 0.522 29 W N 2.504 124.204 121.300 0.666 0.000 2.844 29 W HA 0.550 5.207 4.660 -0.005 0.000 0.340 29 W C -0.418 176.473 176.519 0.620 0.000 1.093 29 W CA -1.159 56.550 57.345 0.605 0.000 1.212 29 W CB 0.811 30.413 29.460 0.237 0.000 1.422 29 W HN 0.114 nan 8.180 nan 0.000 0.515 30 R N 1.240 122.090 120.500 0.583 0.000 2.504 30 R HA -0.005 4.331 4.340 -0.006 0.000 0.291 30 R C 1.325 177.733 176.300 0.180 0.000 0.974 30 R CA 0.472 56.624 56.100 0.086 0.000 1.077 30 R CB 0.367 30.640 30.300 -0.045 0.000 0.926 30 R HN 0.707 nan 8.270 nan 0.000 0.407 31 S N 0.144 115.886 115.700 0.069 0.000 2.522 31 S HA -0.033 4.433 4.470 -0.006 0.000 0.227 31 S C 0.837 175.438 174.600 0.001 0.000 0.986 31 S CA 0.453 58.685 58.200 0.053 0.000 0.929 31 S CB 0.041 63.242 63.200 0.000 0.000 0.769 31 S HN 0.709 nan 8.310 nan 0.000 0.529 32 S N 0.008 115.706 115.700 -0.003 0.000 2.655 32 S HA 0.398 4.864 4.470 -0.006 0.000 0.266 32 S C 0.203 174.805 174.600 0.004 0.000 1.149 32 S CA -0.049 58.147 58.200 -0.007 0.000 0.818 32 S CB 0.538 63.715 63.200 -0.040 0.000 1.130 32 S HN 0.400 nan 8.310 nan 0.000 0.476 33 T N -0.563 113.995 114.554 0.006 0.000 3.144 33 T HA 0.282 4.628 4.350 -0.006 0.000 0.249 33 T C 0.857 175.558 174.700 0.001 0.000 1.089 33 T CA 0.489 62.594 62.100 0.009 0.000 0.989 33 T CB -1.292 67.586 68.868 0.017 0.000 0.992 33 T HN 1.058 nan 8.240 nan 0.000 0.540 34 T N 1.745 116.303 114.554 0.007 0.000 2.903 34 T HA 0.339 4.686 4.350 -0.006 0.000 0.314 34 T C -2.567 172.128 174.700 -0.008 0.000 1.078 34 T CA -1.381 60.728 62.100 0.015 0.000 1.114 34 T CB -0.181 68.723 68.868 0.060 0.000 0.987 34 T HN 0.052 nan 8.240 nan 0.000 0.548 35 P HA 0.151 nan 4.420 nan 0.000 0.265 35 P C -0.474 176.735 177.300 -0.151 0.000 1.187 35 P CA -0.588 62.471 63.100 -0.069 0.000 0.766 35 P CB 0.208 31.874 31.700 -0.057 0.000 0.820 36 L N 6.683 127.786 121.223 -0.199 0.000 2.361 36 L HA 0.331 4.667 4.340 -0.006 0.000 0.278 36 L C -2.152 174.527 176.870 -0.319 0.000 1.113 36 L CA -1.898 52.727 54.840 -0.358 0.000 0.849 36 L CB -0.260 41.651 42.059 -0.246 0.000 1.155 36 L HN 0.288 nan 8.230 nan 0.000 0.452 37 P HA 0.147 nan 4.420 nan 0.000 0.266 37 P C -2.524 174.684 177.300 -0.153 0.000 1.195 37 P CA -0.734 62.211 63.100 -0.259 0.000 0.768 37 P CB -0.158 31.377 31.700 -0.275 0.000 0.838 38 P HA 0.047 nan 4.420 nan 0.000 0.266 38 P C 1.098 178.392 177.300 -0.011 0.000 1.195 38 P CA 1.119 64.191 63.100 -0.047 0.000 0.768 38 P CB 0.232 31.907 31.700 -0.042 0.000 0.838 39 G N 1.411 110.225 108.800 0.024 0.000 2.267 39 G HA2 -0.261 3.695 3.960 -0.006 0.000 0.257 39 G HA3 -0.261 3.695 3.960 -0.006 0.000 0.257 39 G C 0.379 175.368 174.900 0.149 0.000 0.998 39 G CA 0.395 45.542 45.100 0.079 0.000 0.620 39 G HN 0.628 nan 8.290 nan 0.000 0.529 40 T N 2.351 116.970 114.554 0.108 0.000 2.934 40 T HA 0.347 4.694 4.350 -0.006 0.000 0.306 40 T C 0.481 175.391 174.700 0.350 0.000 1.042 40 T CA 0.019 62.224 62.100 0.175 0.000 1.145 40 T CB 0.560 69.461 68.868 0.056 0.000 0.982 40 T HN 0.201 nan 8.240 nan 0.000 0.544 41 Y N 2.189 122.570 120.300 0.135 0.000 2.607 41 Y HA 0.184 4.731 4.550 -0.006 0.000 0.348 41 Y C 1.288 177.244 175.900 0.093 0.000 1.261 41 Y CA -0.426 57.718 58.100 0.072 0.000 1.480 41 Y CB 0.196 38.652 38.460 -0.008 0.000 1.358 41 Y HN 0.639 nan 8.280 nan 0.000 0.630 42 E N 2.174 122.405 120.200 0.051 0.000 2.393 42 E HA 0.367 4.713 4.350 -0.006 0.000 0.273 42 E C -2.789 173.554 176.600 -0.429 0.000 0.918 42 E CA -2.445 53.856 56.400 -0.164 0.000 0.773 42 E CB 2.040 31.806 29.700 0.110 0.000 1.275 42 E HN 0.237 nan 8.360 nan 0.000 0.451 43 P HA -0.034 nan 4.420 nan 0.000 0.266 43 P C -0.901 176.243 177.300 -0.260 0.000 1.195 43 P CA 0.240 63.032 63.100 -0.513 0.000 0.768 43 P CB 0.438 31.883 31.700 -0.425 0.000 0.838 44 A N 3.600 126.318 122.820 -0.171 0.000 2.448 44 A HA 0.049 4.365 4.320 -0.006 0.000 0.239 44 A C -0.159 177.397 177.584 -0.046 0.000 1.080 44 A CA -0.085 51.898 52.037 -0.089 0.000 0.779 44 A CB -0.588 18.390 19.000 -0.036 0.000 1.026 44 A HN 0.553 nan 8.150 nan 0.000 0.499 45 Y N 0.638 120.846 120.300 -0.153 0.000 2.904 45 Y HA 0.053 4.599 4.550 -0.006 0.000 0.336 45 Y C 0.670 176.507 175.900 -0.105 0.000 1.263 45 Y CA 0.760 58.773 58.100 -0.145 0.000 1.547 45 Y CB 0.207 38.586 38.460 -0.134 0.000 1.272 45 Y HN 0.440 nan 8.280 nan 0.000 0.596 46 L N 5.831 126.617 121.223 -0.728 0.000 2.728 46 L HA 0.367 4.703 4.340 -0.006 0.000 0.238 46 L C 1.042 177.493 176.870 -0.698 0.000 1.143 46 L CA 0.313 54.817 54.840 -0.560 0.000 0.937 46 L CB -0.636 41.221 42.059 -0.336 0.000 1.225 46 L HN 1.049 nan 8.230 nan 0.000 0.507 47 G N -0.129 107.848 108.800 -1.372 0.000 2.549 47 G HA2 -0.180 3.777 3.960 -0.006 0.000 0.404 47 G HA3 -0.180 3.777 3.960 -0.006 0.000 0.404 47 G C 0.558 175.224 174.900 -0.390 0.000 1.292 47 G CA -0.449 44.211 45.100 -0.733 0.000 0.935 47 G HN 0.119 nan 8.290 nan 0.000 0.512 48 G N -0.653 108.087 108.800 -0.099 0.000 2.535 48 G HA2 0.141 4.097 3.960 -0.006 0.000 0.218 48 G HA3 0.141 4.097 3.960 -0.006 0.000 0.218 48 G C 1.090 175.976 174.900 -0.022 0.000 1.122 48 G CA 1.561 46.666 45.100 0.010 0.000 0.769 48 G HN 0.716 nan 8.290 nan 0.000 0.549 49 K N 0.335 120.685 120.400 -0.084 0.000 2.537 49 K HA 0.113 4.430 4.320 -0.006 0.000 0.206 49 K C -0.416 176.127 176.600 -0.094 0.000 1.041 49 K CA -0.471 55.776 56.287 -0.067 0.000 1.090 49 K CB 0.747 33.210 32.500 -0.062 0.000 0.833 49 K HN 0.025 nan 8.250 nan 0.000 0.493 50 D N 2.176 122.494 120.400 -0.137 0.000 2.412 50 D HA -0.007 4.629 4.640 -0.006 0.000 0.257 50 D C -1.662 174.609 176.300 -0.049 0.000 1.217 50 D CA -1.660 52.256 54.000 -0.141 0.000 0.897 50 D CB 1.308 41.986 40.800 -0.203 0.000 1.132 50 D HN -0.038 nan 8.370 nan 0.000 0.493 51 P HA -0.106 nan 4.420 nan 0.000 0.219 51 P C 0.853 178.170 177.300 0.028 0.000 1.146 51 P CA 1.109 64.201 63.100 -0.014 0.000 0.808 51 P CB 0.221 31.904 31.700 -0.029 0.000 0.779 52 R N -1.448 119.075 120.500 0.040 0.000 2.276 52 R HA 0.179 4.515 4.340 -0.006 0.000 0.196 52 R C -0.012 176.365 176.300 0.129 0.000 0.961 52 R CA 0.347 56.515 56.100 0.114 0.000 1.024 52 R CB 0.334 30.704 30.300 0.116 0.000 0.940 52 R HN 0.045 nan 8.270 nan 0.000 0.480 53 V N 2.195 122.159 119.914 0.083 0.000 2.612 53 V HA 0.232 4.348 4.120 -0.006 0.000 0.301 53 V C -0.892 175.255 176.094 0.088 0.000 1.059 53 V CA -1.196 61.160 62.300 0.093 0.000 0.886 53 V CB 2.071 33.957 31.823 0.104 0.000 1.007 53 V HN -0.010 nan 8.190 nan 0.000 0.426 54 K N 2.443 122.883 120.400 0.068 0.000 2.185 54 K HA 0.612 4.928 4.320 -0.006 0.000 0.269 54 K C 0.916 177.543 176.600 0.045 0.000 0.987 54 K CA -0.009 56.309 56.287 0.051 0.000 0.865 54 K CB 1.392 33.915 32.500 0.038 0.000 1.090 54 K HN 1.199 nan 8.250 nan 0.000 0.450 55 G N 1.946 110.773 108.800 0.045 0.000 2.272 55 G HA2 -0.240 3.716 3.960 -0.006 0.000 0.280 55 G HA3 -0.240 3.716 3.960 -0.006 0.000 0.280 55 G C 0.506 175.427 174.900 0.036 0.000 1.067 55 G CA 0.198 45.319 45.100 0.035 0.000 0.902 55 G HN 0.853 nan 8.290 nan 0.000 0.500 56 G N -0.064 108.784 108.800 0.080 0.000 2.588 56 G HA2 0.732 4.688 3.960 -0.006 0.000 0.281 56 G HA3 0.732 4.688 3.960 -0.006 0.000 0.281 56 G C -0.996 173.945 174.900 0.069 0.000 1.236 56 G CA -0.365 44.766 45.100 0.052 0.000 0.969 56 G HN 0.390 nan 8.290 nan 0.000 0.504 57 P HA 0.202 nan 4.420 nan 0.000 0.274 57 P C 0.267 177.666 177.300 0.165 0.000 1.246 57 P CA -0.338 62.790 63.100 0.046 0.000 0.795 57 P CB 0.923 32.608 31.700 -0.025 0.000 1.006 58 S N 0.268 116.032 115.700 0.106 0.000 2.593 58 S HA 0.108 4.574 4.470 -0.006 0.000 0.269 58 S C 1.524 176.201 174.600 0.129 0.000 1.334 58 S CA -0.576 57.682 58.200 0.098 0.000 1.015 58 S CB -0.043 63.189 63.200 0.053 0.000 0.912 58 S HN 0.364 nan 8.310 nan 0.000 0.541 59 L N 0.859 122.134 121.223 0.087 0.000 2.191 59 L HA -0.131 4.205 4.340 -0.006 0.000 0.212 59 L C 2.909 179.815 176.870 0.060 0.000 1.103 59 L CA 1.078 55.961 54.840 0.073 0.000 0.769 59 L CB -0.507 41.548 42.059 -0.007 0.000 0.908 59 L HN 0.712 nan 8.230 nan 0.000 0.438 60 Q N -0.379 119.452 119.800 0.051 0.000 2.079 60 Q HA -0.249 4.088 4.340 -0.006 0.000 0.200 60 Q C 2.172 178.223 176.000 0.084 0.000 0.974 60 Q CA 1.433 57.279 55.803 0.071 0.000 0.840 60 Q CB -0.163 28.618 28.738 0.073 0.000 0.898 60 Q HN 0.421 nan 8.270 nan 0.000 0.430 61 Q N 0.726 120.564 119.800 0.064 0.000 2.084 61 Q HA -0.114 4.222 4.340 -0.006 0.000 0.202 61 Q C 1.990 178.009 176.000 0.033 0.000 0.978 61 Q CA 1.718 57.542 55.803 0.035 0.000 0.844 61 Q CB -0.404 28.348 28.738 0.023 0.000 0.898 61 Q HN 0.305 nan 8.270 nan 0.000 0.426 62 V N -1.093 118.854 119.914 0.055 0.000 2.626 62 V HA -0.140 3.976 4.120 -0.006 0.000 0.252 62 V C 2.050 178.176 176.094 0.053 0.000 1.067 62 V CA 1.919 64.250 62.300 0.050 0.000 1.081 62 V CB -0.542 31.331 31.823 0.083 0.000 0.686 62 V HN 0.507 nan 8.190 nan 0.000 0.468 63 M N -0.036 119.599 119.600 0.059 0.000 2.156 63 M HA -0.051 4.425 4.480 -0.006 0.000 0.264 63 M C 2.477 178.814 176.300 0.062 0.000 1.067 63 M CA 1.719 57.053 55.300 0.056 0.000 1.131 63 M CB -0.208 32.420 32.600 0.046 0.000 1.368 63 M HN 0.241 nan 8.290 nan 0.000 0.416 64 R N 0.471 121.005 120.500 0.056 0.000 2.096 64 R HA -0.187 4.149 4.340 -0.006 0.000 0.240 64 R C 1.646 177.950 176.300 0.007 0.000 1.139 64 R CA 2.073 58.173 56.100 -0.001 0.000 0.952 64 R CB -0.580 29.661 30.300 -0.098 0.000 0.854 64 R HN 0.472 nan 8.270 nan 0.000 0.436 65 D N 0.169 120.576 120.400 0.012 0.000 2.182 65 D HA -0.174 4.462 4.640 -0.006 0.000 0.201 65 D C 1.948 178.287 176.300 0.065 0.000 0.986 65 D CA 1.072 55.085 54.000 0.022 0.000 0.847 65 D CB -0.153 40.652 40.800 0.009 0.000 0.942 65 D HN 0.235 nan 8.370 nan 0.000 0.467 66 Q N -0.210 119.646 119.800 0.093 0.000 2.230 66 Q HA 0.047 4.384 4.340 -0.006 0.000 0.202 66 Q C 2.499 178.663 176.000 0.273 0.000 0.963 66 Q CA 0.323 56.227 55.803 0.167 0.000 0.866 66 Q CB 0.083 28.917 28.738 0.160 0.000 0.931 66 Q HN 0.393 nan 8.270 nan 0.000 0.452 67 L N 0.123 121.456 121.223 0.184 0.000 2.162 67 L HA -0.088 4.249 4.340 -0.006 0.000 0.205 67 L C 2.339 179.363 176.870 0.256 0.000 1.086 67 L CA 0.445 55.411 54.840 0.210 0.000 0.778 67 L CB -0.269 41.830 42.059 0.067 0.000 0.928 67 L HN 0.050 nan 8.230 nan 0.000 0.446 68 K N 1.048 121.533 120.400 0.141 0.000 2.049 68 K HA -0.213 4.104 4.320 -0.006 0.000 0.219 68 K C -0.652 176.017 176.600 0.116 0.000 1.056 68 K CA 2.178 58.520 56.287 0.092 0.000 0.946 68 K CB -1.436 31.086 32.500 0.036 0.000 0.723 68 K HN 0.082 nan 8.250 nan 0.000 0.453 69 P HA -0.130 nan 4.420 nan 0.000 0.217 69 P C 0.880 178.167 177.300 -0.022 0.000 1.148 69 P CA 1.295 64.398 63.100 0.005 0.000 0.828 69 P CB -0.095 31.570 31.700 -0.058 0.000 0.783 70 F N -0.443 119.536 119.950 0.048 0.000 2.365 70 F HA -0.109 4.414 4.527 -0.006 0.000 0.300 70 F C 2.189 178.017 175.800 0.045 0.000 1.090 70 F CA 1.723 59.761 58.000 0.064 0.000 1.408 70 F CB -1.148 37.954 39.000 0.170 0.000 1.060 70 F HN 0.023 nan 8.300 nan 0.000 0.534 71 T N -3.523 111.154 114.554 0.204 0.000 3.044 71 T HA 0.119 4.465 4.350 -0.006 0.000 0.250 71 T C 0.630 175.362 174.700 0.054 0.000 1.081 71 T CA -0.120 62.050 62.100 0.116 0.000 1.040 71 T CB -0.229 68.695 68.868 0.092 0.000 0.962 71 T HN 0.099 nan 8.240 nan 0.000 0.506 72 E N 2.361 122.579 120.200 0.030 0.000 2.371 72 E HA 0.328 4.675 4.350 -0.006 0.000 0.257 72 E C -2.415 174.175 176.600 -0.016 0.000 1.134 72 E CA -2.107 54.293 56.400 -0.001 0.000 0.919 72 E CB 0.280 29.970 29.700 -0.016 0.000 1.025 72 E HN 0.240 nan 8.360 nan 0.000 0.438 73 P HA 0.033 nan 4.420 nan 0.000 0.268 73 P C -0.740 176.532 177.300 -0.046 0.000 1.208 73 P CA 0.051 63.134 63.100 -0.027 0.000 0.777 73 P CB 0.554 32.239 31.700 -0.025 0.000 0.875 74 R N 0.916 121.387 120.500 -0.049 0.000 2.531 74 R HA 0.546 4.883 4.340 -0.006 0.000 0.273 74 R C 0.955 177.217 176.300 -0.063 0.000 1.070 74 R CA 0.132 56.189 56.100 -0.071 0.000 1.112 74 R CB -0.009 30.249 30.300 -0.071 0.000 1.049 74 R HN 0.649 nan 8.270 nan 0.000 0.508 75 G N 1.809 110.565 108.800 -0.074 0.000 2.651 75 G HA2 0.101 4.057 3.960 -0.006 0.000 0.260 75 G HA3 0.101 4.057 3.960 -0.006 0.000 0.260 75 G C -0.743 174.139 174.900 -0.030 0.000 1.216 75 G CA -0.582 44.493 45.100 -0.043 0.000 0.913 75 G HN 0.370 nan 8.290 nan 0.000 0.535 76 K N 1.106 121.512 120.400 0.010 0.000 2.326 76 K HA 0.209 4.526 4.320 -0.006 0.000 0.275 76 K C -2.237 174.347 176.600 -0.026 0.000 1.018 76 K CA -1.594 54.697 56.287 0.007 0.000 0.962 76 K CB 0.999 33.523 32.500 0.039 0.000 0.953 76 K HN 0.264 nan 8.250 nan 0.000 0.475 77 P HA 0.221 nan 4.420 nan 0.000 0.274 77 P C -2.485 174.680 177.300 -0.227 0.000 1.237 77 P CA -1.530 61.457 63.100 -0.188 0.000 0.793 77 P CB -0.367 31.249 31.700 -0.139 0.000 0.977 78 P HA 0.088 nan 4.420 nan 0.000 0.268 78 P C 0.064 177.286 177.300 -0.129 0.000 1.208 78 P CA 0.002 62.873 63.100 -0.382 0.000 0.777 78 P CB 0.244 31.634 31.700 -0.515 0.000 0.875 79 K N 3.797 124.183 120.400 -0.023 0.000 2.530 79 K HA -0.080 4.236 4.320 -0.006 0.000 0.280 79 K C -1.499 175.079 176.600 -0.035 0.000 1.004 79 K CA -0.577 55.704 56.287 -0.011 0.000 1.071 79 K CB -0.094 32.418 32.500 0.021 0.000 0.876 79 K HN 0.299 nan 8.250 nan 0.000 0.487 80 P HA -0.182 nan 4.420 nan 0.000 0.219 80 P C 0.859 178.142 177.300 -0.028 0.000 1.146 80 P CA 1.234 64.311 63.100 -0.039 0.000 0.808 80 P CB 0.210 31.892 31.700 -0.031 0.000 0.779 81 S N -1.257 114.434 115.700 -0.016 0.000 2.425 81 S HA -0.072 4.394 4.470 -0.006 0.000 0.225 81 S C 1.964 176.562 174.600 -0.004 0.000 1.024 81 S CA 0.878 59.073 58.200 -0.008 0.000 0.951 81 S CB -1.630 61.569 63.200 -0.001 0.000 0.796 81 S HN 0.133 nan 8.310 nan 0.000 0.498 82 V N 0.938 120.852 119.914 0.000 0.000 2.346 82 V HA 0.041 4.158 4.120 -0.006 0.000 0.244 82 V C 2.229 178.316 176.094 -0.012 0.000 1.037 82 V CA 1.430 63.736 62.300 0.010 0.000 1.029 82 V CB -0.993 30.853 31.823 0.038 0.000 0.663 82 V HN 0.412 nan 8.190 nan 0.000 0.454 83 L N 1.076 122.274 121.223 -0.042 0.000 2.051 83 L HA -0.225 4.112 4.340 -0.006 0.000 0.214 83 L C 2.517 179.355 176.870 -0.054 0.000 1.076 83 L CA 2.896 57.694 54.840 -0.070 0.000 0.758 83 L CB -0.974 41.024 42.059 -0.101 0.000 0.890 83 L HN 0.665 nan 8.230 nan 0.000 0.433 84 E N -0.417 119.759 120.200 -0.039 0.000 2.072 84 E HA -0.123 4.223 4.350 -0.006 0.000 0.191 84 E C 2.087 178.671 176.600 -0.027 0.000 0.985 84 E CA 1.475 57.856 56.400 -0.033 0.000 0.801 84 E CB -0.416 29.270 29.700 -0.024 0.000 0.750 84 E HN 0.535 nan 8.360 nan 0.000 0.452 85 A N 0.700 123.511 122.820 -0.015 0.000 1.972 85 A HA 0.002 4.318 4.320 -0.006 0.000 0.219 85 A C 2.401 179.977 177.584 -0.013 0.000 1.169 85 A CA 1.909 53.944 52.037 -0.005 0.000 0.635 85 A CB -0.878 18.129 19.000 0.011 0.000 0.810 85 A HN 0.377 nan 8.150 nan 0.000 0.446 86 A N -0.194 122.611 122.820 -0.025 0.000 1.930 86 A HA -0.120 4.197 4.320 -0.006 0.000 0.217 86 A C 2.108 179.619 177.584 -0.122 0.000 1.175 86 A CA 1.843 53.849 52.037 -0.052 0.000 0.627 86 A CB -0.414 18.558 19.000 -0.046 0.000 0.815 86 A HN 0.549 nan 8.150 nan 0.000 0.443 87 K N 0.089 120.428 120.400 -0.102 0.000 2.032 87 K HA -0.179 4.137 4.320 -0.006 0.000 0.209 87 K C 1.988 178.538 176.600 -0.084 0.000 1.048 87 K CA 1.734 57.957 56.287 -0.107 0.000 0.927 87 K CB -0.186 32.275 32.500 -0.065 0.000 0.712 87 K HN 0.421 nan 8.250 nan 0.000 0.441 88 K N -0.249 120.122 120.400 -0.048 0.000 2.057 88 K HA -0.101 4.216 4.320 -0.006 0.000 0.207 88 K C 2.151 178.740 176.600 -0.018 0.000 1.049 88 K CA 1.845 58.121 56.287 -0.019 0.000 0.931 88 K CB -0.191 32.305 32.500 -0.007 0.000 0.714 88 K HN 0.220 nan 8.250 nan 0.000 0.440 89 T N 1.996 116.530 114.554 -0.032 0.000 2.684 89 T HA -0.119 4.227 4.350 -0.006 0.000 0.267 89 T C 1.944 176.602 174.700 -0.070 0.000 1.036 89 T CA 1.179 63.272 62.100 -0.013 0.000 1.148 89 T CB -0.186 68.693 68.868 0.019 0.000 0.863 89 T HN 0.147 nan 8.240 nan 0.000 0.436 90 I N 0.401 120.817 120.570 -0.257 0.000 2.179 90 I HA -0.143 4.023 4.170 -0.006 0.000 0.242 90 I C 2.289 178.282 176.117 -0.207 0.000 1.088 90 I CA 1.330 62.318 61.300 -0.520 0.000 1.357 90 I CB -0.430 37.025 38.000 -0.908 0.000 1.051 90 I HN 0.214 nan 8.210 nan 0.000 0.409 91 I N 0.942 121.489 120.570 -0.039 0.000 2.163 91 I HA -0.357 3.810 4.170 -0.006 0.000 0.243 91 I C 2.371 178.609 176.117 0.203 0.000 1.085 91 I CA 1.784 63.213 61.300 0.215 0.000 1.347 91 I CB -0.494 37.622 38.000 0.193 0.000 1.044 91 I HN 0.330 nan 8.210 nan 0.000 0.408 92 N N 0.634 119.392 118.700 0.096 0.000 2.043 92 N HA -0.175 4.562 4.740 -0.006 0.000 0.193 92 N C 1.753 177.313 175.510 0.084 0.000 1.037 92 N CA 1.678 54.782 53.050 0.089 0.000 0.851 92 N CB -0.228 38.296 38.487 0.061 0.000 1.027 92 N HN 0.087 nan 8.380 nan 0.000 0.422 93 V N 0.408 120.373 119.914 0.085 0.000 2.392 93 V HA -0.201 3.915 4.120 -0.006 0.000 0.249 93 V C 2.181 178.308 176.094 0.055 0.000 1.059 93 V CA 1.147 63.518 62.300 0.119 0.000 1.051 93 V CB -0.563 31.438 31.823 0.296 0.000 0.658 93 V HN 0.340 nan 8.190 nan 0.000 0.455 94 L N -0.420 120.789 121.223 -0.024 0.000 2.095 94 L HA -0.050 4.286 4.340 -0.006 0.000 0.204 94 L C 2.420 179.219 176.870 -0.117 0.000 1.080 94 L CA 1.578 56.281 54.840 -0.228 0.000 0.759 94 L CB -1.255 40.345 42.059 -0.764 0.000 0.914 94 L HN 0.378 nan 8.230 nan 0.000 0.439 95 E N -0.753 119.513 120.200 0.109 0.000 2.160 95 E HA -0.263 4.083 4.350 -0.006 0.000 0.195 95 E C 1.961 178.609 176.600 0.080 0.000 0.991 95 E CA 1.183 57.707 56.400 0.207 0.000 0.810 95 E CB 0.027 29.856 29.700 0.214 0.000 0.742 95 E HN 0.564 nan 8.360 nan 0.000 0.466 96 Q N -1.102 118.720 119.800 0.036 0.000 2.424 96 Q HA 0.015 4.351 4.340 -0.006 0.000 0.204 96 Q C 1.293 177.271 176.000 -0.036 0.000 0.933 96 Q CA 0.810 56.621 55.803 0.012 0.000 0.929 96 Q CB 0.721 29.472 28.738 0.022 0.000 1.037 96 Q HN 0.137 nan 8.270 nan 0.000 0.511 97 T N 0.212 114.707 114.554 -0.098 0.000 3.151 97 T HA 0.187 4.533 4.350 -0.006 0.000 0.239 97 T C 0.832 175.262 174.700 -0.450 0.000 0.979 97 T CA -0.047 61.915 62.100 -0.230 0.000 1.194 97 T CB 0.240 68.974 68.868 -0.224 0.000 0.982 97 T HN 0.232 nan 8.240 nan 0.000 0.428 98 I N -0.079 120.268 120.570 -0.371 0.000 2.934 98 I HA 0.579 4.745 4.170 -0.006 0.000 0.315 98 I C -0.888 175.191 176.117 -0.064 0.000 0.997 98 I CA -0.920 60.177 61.300 -0.339 0.000 1.184 98 I CB 0.887 38.767 38.000 -0.199 0.000 1.400 98 I HN -0.101 nan 8.210 nan 0.000 0.549 99 D N 2.708 123.139 120.400 0.052 0.000 2.217 99 D HA 0.371 5.007 4.640 -0.006 0.000 0.248 99 D C -2.474 173.902 176.300 0.126 0.000 1.008 99 D CA -1.061 53.000 54.000 0.101 0.000 0.914 99 D CB 1.480 42.355 40.800 0.126 0.000 1.182 99 D HN 0.417 nan 8.370 nan 0.000 0.451 100 P HA 0.054 nan 4.420 nan 0.000 0.260 100 P C -2.322 175.056 177.300 0.129 0.000 1.185 100 P CA -0.690 62.488 63.100 0.131 0.000 0.763 100 P CB -0.550 31.212 31.700 0.103 0.000 0.776 101 P HA 0.122 nan 4.420 nan 0.000 0.272 101 P C -0.085 177.293 177.300 0.131 0.000 1.223 101 P CA 0.023 63.201 63.100 0.130 0.000 0.784 101 P CB 0.941 32.708 31.700 0.112 0.000 0.923 102 E N 1.369 121.665 120.200 0.160 0.000 2.366 102 E HA 0.153 4.499 4.350 -0.006 0.000 0.266 102 E C 0.000 176.735 176.600 0.224 0.000 1.051 102 E CA -0.589 55.924 56.400 0.188 0.000 0.884 102 E CB 0.622 30.453 29.700 0.218 0.000 1.006 102 E HN 0.299 nan 8.360 nan 0.000 0.417 103 K N 1.623 122.149 120.400 0.210 0.000 2.326 103 K HA 0.140 4.456 4.320 -0.006 0.000 0.275 103 K C -0.817 176.008 176.600 0.375 0.000 1.018 103 K CA -0.188 56.235 56.287 0.226 0.000 0.962 103 K CB 0.540 33.145 32.500 0.176 0.000 0.953 103 K HN 0.336 nan 8.250 nan 0.000 0.475 104 W N 1.875 123.187 121.300 0.020 0.000 2.433 104 W HA 0.158 4.817 4.660 -0.002 0.000 0.315 104 W C 0.629 177.156 176.519 0.013 0.000 1.087 104 W CA -0.834 56.514 57.345 0.005 0.000 1.205 104 W CB 1.029 30.473 29.460 -0.027 0.000 1.288 104 W HN 0.628 nan 8.180 nan 0.000 0.504 105 S N 2.268 118.072 115.700 0.173 0.000 2.655 105 S HA 0.176 4.642 4.470 -0.006 0.000 0.265 105 S C 0.866 175.580 174.600 0.191 0.000 1.240 105 S CA -0.405 57.889 58.200 0.156 0.000 0.986 105 S CB 0.529 63.788 63.200 0.100 0.000 0.985 105 S HN 0.401 nan 8.310 nan 0.000 0.562 106 F N 1.527 121.512 119.950 0.059 0.000 2.095 106 F HA -0.072 4.452 4.527 -0.005 0.000 0.298 106 F C 2.546 178.387 175.800 0.068 0.000 1.104 106 F CA 2.270 60.311 58.000 0.069 0.000 1.232 106 F CB -1.416 37.632 39.000 0.080 0.000 0.987 106 F HN 0.692 nan 8.300 nan 0.000 0.475 107 T N 0.345 114.871 114.554 -0.046 0.000 2.635 107 T HA -0.278 4.069 4.350 -0.006 0.000 0.267 107 T C 1.930 176.520 174.700 -0.183 0.000 1.040 107 T CA 2.035 64.035 62.100 -0.167 0.000 1.156 107 T CB -0.344 68.484 68.868 -0.066 0.000 0.863 107 T HN 0.402 nan 8.240 nan 0.000 0.430 108 Q N 0.152 119.846 119.800 -0.176 0.000 2.135 108 Q HA -0.091 4.245 4.340 -0.006 0.000 0.204 108 Q C 2.624 178.438 176.000 -0.309 0.000 0.981 108 Q CA 1.488 57.079 55.803 -0.353 0.000 0.856 108 Q CB -0.274 28.144 28.738 -0.532 0.000 0.902 108 Q HN 0.564 nan 8.270 nan 0.000 0.425 109 A N -0.011 122.787 122.820 -0.037 0.000 1.898 109 A HA -0.171 4.145 4.320 -0.006 0.000 0.216 109 A C 2.299 179.908 177.584 0.042 0.000 1.181 109 A CA 1.169 53.301 52.037 0.159 0.000 0.620 109 A CB -0.846 18.274 19.000 0.199 0.000 0.819 109 A HN 0.489 nan 8.150 nan 0.000 0.442 110 C N -0.912 118.331 119.300 -0.095 0.000 2.429 110 C HA 0.041 4.497 4.460 -0.006 0.000 0.277 110 C C 3.285 178.151 174.990 -0.208 0.000 1.262 110 C CA 0.828 59.781 59.018 -0.110 0.000 1.733 110 C CB -1.306 26.292 27.740 -0.237 0.000 2.010 110 C HN 0.695 nan 8.230 nan 0.000 0.483 111 A N 0.927 123.668 122.820 -0.131 0.000 2.019 111 A HA -0.136 4.181 4.320 -0.006 0.000 0.219 111 A C 2.247 179.739 177.584 -0.153 0.000 1.164 111 A CA 2.040 54.012 52.037 -0.109 0.000 0.644 111 A CB -0.666 18.278 19.000 -0.093 0.000 0.805 111 A HN 0.719 nan 8.150 nan 0.000 0.449 112 S N -0.741 114.890 115.700 -0.114 0.000 2.489 112 S HA 0.180 4.647 4.470 -0.006 0.000 0.228 112 S C 0.616 175.226 174.600 0.017 0.000 0.995 112 S CA -0.125 58.074 58.200 -0.003 0.000 0.934 112 S CB -0.560 62.769 63.200 0.213 0.000 0.771 112 S HN 0.378 nan 8.310 nan 0.000 0.522 113 L N 2.495 123.685 121.223 -0.055 0.000 2.349 113 L HA 0.336 4.673 4.340 -0.006 0.000 0.275 113 L C 0.261 177.069 176.870 -0.103 0.000 1.115 113 L CA -0.648 54.174 54.840 -0.031 0.000 0.820 113 L CB 0.429 42.505 42.059 0.029 0.000 1.135 113 L HN 0.155 nan 8.230 nan 0.000 0.445 114 D N 3.151 123.532 120.400 -0.032 0.000 2.412 114 D HA -0.043 4.593 4.640 -0.006 0.000 0.257 114 D C 0.518 176.770 176.300 -0.080 0.000 1.217 114 D CA 0.158 54.134 54.000 -0.041 0.000 0.897 114 D CB 0.979 41.789 40.800 0.016 0.000 1.132 114 D HN 0.312 nan 8.370 nan 0.000 0.493 115 K N 2.470 122.782 120.400 -0.147 0.000 2.444 115 K HA 0.033 4.349 4.320 -0.006 0.000 0.193 115 K C 1.477 178.046 176.600 -0.052 0.000 1.024 115 K CA 0.146 56.330 56.287 -0.172 0.000 1.077 115 K CB 0.186 32.471 32.500 -0.359 0.000 0.833 115 K HN 0.349 nan 8.250 nan 0.000 0.517 116 T N 1.246 115.787 114.554 -0.022 0.000 2.978 116 T HA -0.025 4.321 4.350 -0.006 0.000 0.262 116 T C 0.947 175.664 174.700 0.028 0.000 1.063 116 T CA 0.830 62.936 62.100 0.009 0.000 1.140 116 T CB 0.147 69.023 68.868 0.013 0.000 0.886 116 T HN 0.408 nan 8.240 nan 0.000 0.470 117 T N 0.385 114.959 114.554 0.033 0.000 2.847 117 T HA 0.492 4.838 4.350 -0.006 0.000 0.279 117 T C 0.361 175.097 174.700 0.060 0.000 0.984 117 T CA -0.793 61.339 62.100 0.053 0.000 0.988 117 T CB 1.300 70.208 68.868 0.066 0.000 1.040 117 T HN 0.060 nan 8.240 nan 0.000 0.528 118 S N 0.190 115.936 115.700 0.077 0.000 2.579 118 S HA 0.152 4.618 4.470 -0.006 0.000 0.275 118 S C 1.629 176.271 174.600 0.070 0.000 1.345 118 S CA -0.184 58.068 58.200 0.088 0.000 1.031 118 S CB 0.173 63.449 63.200 0.126 0.000 0.892 118 S HN 0.953 nan 8.310 nan 0.000 0.529 119 S N 3.601 119.326 115.700 0.042 0.000 2.515 119 S HA 0.259 4.725 4.470 -0.006 0.000 0.231 119 S C 1.405 175.987 174.600 -0.031 0.000 0.987 119 S CA 0.502 58.693 58.200 -0.016 0.000 0.936 119 S CB -1.487 61.682 63.200 -0.052 0.000 0.766 119 S HN 1.860 nan 8.310 nan 0.000 0.528 120 G N 1.536 110.344 108.800 0.013 0.000 2.569 120 G HA2 -0.327 3.629 3.960 -0.006 0.000 0.259 120 G HA3 -0.327 3.629 3.960 -0.006 0.000 0.259 120 G C -0.221 174.435 174.900 -0.408 0.000 1.263 120 G CA 0.250 45.346 45.100 -0.006 0.000 0.928 120 G HN 1.071 nan 8.290 nan 0.000 0.572 121 H N 2.689 121.523 119.070 -0.394 0.000 2.897 121 H HA 0.413 4.965 4.556 -0.006 0.000 0.347 121 H C -1.053 174.013 175.328 -0.438 0.000 1.068 121 H CA -0.204 55.547 56.048 -0.494 0.000 1.426 121 H CB 1.394 31.029 29.762 -0.211 0.000 1.410 121 H HN 0.255 nan 8.280 nan 0.000 0.597 122 P HA 0.048 nan 4.420 nan 0.000 0.275 122 P C 0.337 177.185 177.300 -0.754 0.000 1.310 122 P CA 0.581 62.978 63.100 -1.173 0.000 0.904 122 P CB 0.551 31.518 31.700 -1.221 0.000 1.381 123 H N -1.157 117.646 119.070 -0.444 0.000 2.520 123 H HA 0.105 4.658 4.556 -0.006 0.000 0.279 123 H C 0.350 175.623 175.328 -0.091 0.000 0.990 123 H CA 0.529 56.454 56.048 -0.205 0.000 1.288 123 H CB -0.605 29.065 29.762 -0.153 0.000 1.446 123 H HN 0.237 nan 8.280 nan 0.000 0.538 124 H N -0.272 118.830 119.070 0.054 0.000 2.655 124 H HA -0.143 4.410 4.556 -0.006 0.000 0.313 124 H C 0.095 175.454 175.328 0.053 0.000 1.141 124 H CA 0.619 56.693 56.048 0.042 0.000 1.138 124 H CB -1.738 28.039 29.762 0.026 0.000 1.446 124 H HN 0.284 nan 8.280 nan 0.000 0.415 125 M N 0.222 119.893 119.600 0.118 0.000 2.318 125 M HA 0.249 4.726 4.480 -0.006 0.000 0.347 125 M C 1.140 177.489 176.300 0.082 0.000 1.175 125 M CA -0.561 54.794 55.300 0.092 0.000 1.075 125 M CB 1.654 34.294 32.600 0.066 0.000 1.614 125 M HN 0.097 nan 8.290 nan 0.000 0.456 126 R N 1.740 122.287 120.500 0.079 0.000 2.480 126 R HA -0.028 4.309 4.340 -0.006 0.000 0.303 126 R C 0.917 177.270 176.300 0.088 0.000 0.985 126 R CA 0.473 56.617 56.100 0.073 0.000 1.051 126 R CB 0.558 30.896 30.300 0.063 0.000 0.935 126 R HN 0.601 nan 8.270 nan 0.000 0.410 127 K N 2.403 122.856 120.400 0.089 0.000 2.152 127 K HA -0.244 4.072 4.320 -0.006 0.000 0.206 127 K C 1.438 178.147 176.600 0.183 0.000 1.048 127 K CA 1.906 58.288 56.287 0.158 0.000 0.933 127 K CB -0.099 32.499 32.500 0.164 0.000 0.721 127 K HN 0.577 nan 8.250 nan 0.000 0.447 128 N N 0.888 119.645 118.700 0.096 0.000 2.132 128 N HA -0.184 4.552 4.740 -0.006 0.000 0.191 128 N C 1.071 176.696 175.510 0.191 0.000 1.015 128 N CA 1.682 54.815 53.050 0.137 0.000 0.864 128 N CB -0.007 38.533 38.487 0.088 0.000 1.006 128 N HN 0.168 nan 8.380 nan 0.000 0.430 129 D N -0.789 119.700 120.400 0.148 0.000 2.178 129 D HA -0.046 4.590 4.640 -0.006 0.000 0.202 129 D C 0.191 176.581 176.300 0.151 0.000 0.974 129 D CA 0.778 54.852 54.000 0.124 0.000 0.841 129 D CB -0.179 40.674 40.800 0.088 0.000 0.953 129 D HN 0.253 nan 8.370 nan 0.000 0.478 130 C N 1.461 120.892 119.300 0.219 0.000 2.626 130 C HA 0.286 4.743 4.460 -0.006 0.000 0.356 130 C C -0.788 174.475 174.990 0.456 0.000 1.398 130 C CA -0.822 58.352 59.018 0.260 0.000 1.678 130 C CB -0.903 26.956 27.740 0.200 0.000 2.430 130 C HN 0.321 nan 8.230 nan 0.000 0.561 131 W N 4.163 125.513 121.300 0.084 0.000 3.164 131 W HA 0.200 4.856 4.660 -0.006 0.000 0.311 131 W C -1.456 175.037 176.519 -0.043 0.000 1.080 131 W CA -0.726 56.609 57.345 -0.015 0.000 1.231 131 W CB 0.175 29.581 29.460 -0.089 0.000 1.060 131 W HN 0.637 nan 8.180 nan 0.000 0.358 132 N N 1.470 119.972 118.700 -0.330 0.000 2.453 132 N HA 0.311 5.048 4.740 -0.006 0.000 0.253 132 N C 1.179 176.116 175.510 -0.956 0.000 1.252 132 N CA 0.497 53.293 53.050 -0.423 0.000 0.917 132 N CB 0.793 39.099 38.487 -0.302 0.000 1.117 132 N HN 0.443 nan 8.380 nan 0.000 0.442 133 G N -0.902 107.537 108.800 -0.603 0.000 3.270 133 G HA2 -0.157 3.800 3.960 -0.006 0.000 0.207 133 G HA3 -0.157 3.800 3.960 -0.006 0.000 0.207 133 G C 0.556 175.013 174.900 -0.738 0.000 1.249 133 G CA 0.236 45.022 45.100 -0.525 0.000 1.214 133 G HN 0.818 nan 8.290 nan 0.000 0.502 134 E N -1.782 117.499 120.200 -1.531 0.000 2.586 134 E HA 0.029 4.375 4.350 -0.006 0.000 0.225 134 E C -0.201 175.634 176.600 -1.275 0.000 1.064 134 E CA 0.076 55.837 56.400 -1.065 0.000 1.695 134 E CB 0.220 29.605 29.700 -0.526 0.000 2.917 134 E HN 0.158 nan 8.360 nan 0.000 1.096 135 S N 0.113 115.061 115.700 -1.253 0.000 2.549 135 S HA 0.605 5.072 4.470 -0.006 0.000 0.280 135 S C -0.927 173.471 174.600 -0.336 0.000 1.109 135 S CA -0.588 57.238 58.200 -0.623 0.000 0.905 135 S CB 0.792 63.843 63.200 -0.248 0.000 1.081 135 S HN 0.121 nan 8.310 nan 0.000 0.477 136 F N 2.478 122.569 119.950 0.235 0.000 2.553 136 F HA 0.315 4.840 4.527 -0.003 0.000 0.356 136 F C 1.519 177.389 175.800 0.117 0.000 1.142 136 F CA 0.026 58.191 58.000 0.275 0.000 1.322 136 F CB 0.533 39.688 39.000 0.258 0.000 1.126 136 F HN 0.482 nan 8.300 nan 0.000 0.599 137 T N -0.607 114.139 114.554 0.320 0.000 2.907 137 T HA 0.722 5.069 4.350 -0.006 0.000 0.292 137 T C 0.264 175.026 174.700 0.102 0.000 1.043 137 T CA -0.445 61.747 62.100 0.153 0.000 1.003 137 T CB 1.445 70.365 68.868 0.086 0.000 1.084 137 T HN 1.178 nan 8.240 nan 0.000 0.483 138 G N 2.230 111.059 108.800 0.048 0.000 2.611 138 G HA2 -0.350 3.607 3.960 -0.006 0.000 0.301 138 G HA3 -0.350 3.607 3.960 -0.006 0.000 0.301 138 G C 0.861 175.728 174.900 -0.055 0.000 1.233 138 G CA 0.626 45.721 45.100 -0.007 0.000 0.993 138 G HN 0.951 nan 8.290 nan 0.000 0.553 139 K N -0.048 120.250 120.400 -0.170 0.000 2.089 139 K HA -0.093 4.223 4.320 -0.006 0.000 0.210 139 K C 2.613 179.048 176.600 -0.276 0.000 1.048 139 K CA 1.887 57.944 56.287 -0.383 0.000 0.926 139 K CB -0.284 31.670 32.500 -0.911 0.000 0.714 139 K HN 0.439 nan 8.250 nan 0.000 0.448 140 L N -0.075 121.039 121.223 -0.182 0.000 2.270 140 L HA -0.010 4.327 4.340 -0.006 0.000 0.210 140 L C 2.536 179.371 176.870 -0.059 0.000 1.104 140 L CA 0.452 55.203 54.840 -0.149 0.000 0.804 140 L CB -0.474 41.475 42.059 -0.183 0.000 0.937 140 L HN 0.168 nan 8.230 nan 0.000 0.450 141 A N 0.243 123.126 122.820 0.106 0.000 1.969 141 A HA -0.201 4.115 4.320 -0.006 0.000 0.218 141 A C 1.759 179.430 177.584 0.145 0.000 1.169 141 A CA 1.866 54.035 52.037 0.220 0.000 0.635 141 A CB -0.388 18.735 19.000 0.205 0.000 0.810 141 A HN 0.318 nan 8.150 nan 0.000 0.445 142 D N -1.171 119.268 120.400 0.065 0.000 2.149 142 D HA -0.102 4.534 4.640 -0.006 0.000 0.201 142 D C 2.110 178.440 176.300 0.050 0.000 0.972 142 D CA 1.297 55.327 54.000 0.049 0.000 0.835 142 D CB -0.160 40.656 40.800 0.027 0.000 0.966 142 D HN 0.615 nan 8.370 nan 0.000 0.476 143 Q N 0.195 120.021 119.800 0.044 0.000 2.046 143 Q HA -0.130 4.206 4.340 -0.006 0.000 0.200 143 Q C 2.072 178.093 176.000 0.034 0.000 0.975 143 Q CA 1.455 57.276 55.803 0.032 0.000 0.836 143 Q CB -0.092 28.660 28.738 0.024 0.000 0.896 143 Q HN 0.249 nan 8.270 nan 0.000 0.428 144 A N 0.018 122.871 122.820 0.055 0.000 1.908 144 A HA -0.203 4.113 4.320 -0.006 0.000 0.218 144 A C 2.179 179.911 177.584 0.246 0.000 1.181 144 A CA 1.934 54.103 52.037 0.220 0.000 0.627 144 A CB -0.949 18.279 19.000 0.379 0.000 0.818 144 A HN 0.452 nan 8.150 nan 0.000 0.445 145 S N -0.499 115.279 115.700 0.131 0.000 2.371 145 S HA -0.172 4.295 4.470 -0.006 0.000 0.224 145 S C 2.137 176.668 174.600 -0.114 0.000 1.029 145 S CA 1.930 60.059 58.200 -0.118 0.000 0.978 145 S CB -0.281 62.896 63.200 -0.038 0.000 0.833 145 S HN 0.567 nan 8.310 nan 0.000 0.466 146 K N 1.909 122.295 120.400 -0.025 0.000 2.009 146 K HA 0.051 4.367 4.320 -0.006 0.000 0.210 146 K C 1.991 178.590 176.600 -0.002 0.000 1.049 146 K CA 1.939 58.218 56.287 -0.014 0.000 0.929 146 K CB -1.128 31.375 32.500 0.006 0.000 0.714 146 K HN 0.296 nan 8.250 nan 0.000 0.440 147 A N 1.140 123.976 122.820 0.026 0.000 1.877 147 A HA -0.231 4.085 4.320 -0.006 0.000 0.216 147 A C 2.271 179.901 177.584 0.078 0.000 1.186 147 A CA 1.919 53.991 52.037 0.059 0.000 0.620 147 A CB -1.068 17.981 19.000 0.082 0.000 0.822 147 A HN 0.658 nan 8.150 nan 0.000 0.443 148 N N -0.035 118.681 118.700 0.026 0.000 2.104 148 N HA -0.137 4.599 4.740 -0.006 0.000 0.190 148 N C 1.781 177.311 175.510 0.033 0.000 1.024 148 N CA 1.554 54.599 53.050 -0.008 0.000 0.853 148 N CB -0.178 38.047 38.487 -0.437 0.000 1.008 148 N HN 0.521 nan 8.380 nan 0.000 0.424 149 L N 0.419 121.618 121.223 -0.041 0.000 2.093 149 L HA -0.113 4.223 4.340 -0.006 0.000 0.208 149 L C 2.566 179.441 176.870 0.008 0.000 1.085 149 L CA 0.607 55.434 54.840 -0.023 0.000 0.755 149 L CB -0.297 41.732 42.059 -0.050 0.000 0.904 149 L HN 0.244 nan 8.230 nan 0.000 0.435 150 M N -0.867 118.749 119.600 0.026 0.000 2.117 150 M HA -0.232 4.244 4.480 -0.006 0.000 0.262 150 M C 2.354 178.668 176.300 0.024 0.000 1.065 150 M CA 1.746 57.058 55.300 0.021 0.000 1.114 150 M CB -1.221 31.398 32.600 0.032 0.000 1.361 150 M HN 0.173 nan 8.290 nan 0.000 0.408 151 F N 2.091 122.015 119.950 -0.043 0.000 2.069 151 F HA -0.219 4.305 4.527 -0.005 0.000 0.298 151 F C 2.297 178.056 175.800 -0.067 0.000 1.113 151 F CA 1.779 59.744 58.000 -0.058 0.000 1.214 151 F CB -0.291 38.683 39.000 -0.044 0.000 0.978 151 F HN 0.161 nan 8.300 nan 0.000 0.474 152 E N 0.149 120.331 120.200 -0.030 0.000 2.130 152 E HA -0.187 4.159 4.350 -0.006 0.000 0.196 152 E C 2.280 178.770 176.600 -0.184 0.000 0.998 152 E CA 1.319 57.651 56.400 -0.112 0.000 0.806 152 E CB -0.945 28.768 29.700 0.022 0.000 0.738 152 E HN 0.559 nan 8.360 nan 0.000 0.459 153 G N -0.320 108.399 108.800 -0.135 0.000 2.985 153 G HA2 0.168 4.125 3.960 -0.006 0.000 0.209 153 G HA3 0.168 4.125 3.960 -0.006 0.000 0.209 153 G C 1.026 175.852 174.900 -0.125 0.000 1.165 153 G CA 0.280 45.320 45.100 -0.101 0.000 0.776 153 G HN 0.357 nan 8.290 nan 0.000 0.541 154 G N 0.353 109.024 108.800 -0.215 0.000 2.305 154 G HA2 -0.292 3.665 3.960 -0.006 0.000 0.287 154 G HA3 -0.292 3.665 3.960 -0.006 0.000 0.287 154 G C 0.207 175.043 174.900 -0.107 0.000 1.036 154 G CA 0.445 45.429 45.100 -0.195 0.000 0.887 154 G HN 0.580 nan 8.290 nan 0.000 0.505 155 K N 0.345 120.695 120.400 -0.083 0.000 2.159 155 K HA 0.293 4.609 4.320 -0.006 0.000 0.266 155 K C 0.124 176.709 176.600 -0.025 0.000 0.975 155 K CA -0.988 55.273 56.287 -0.043 0.000 0.865 155 K CB 0.957 33.439 32.500 -0.030 0.000 1.087 155 K HN 0.129 nan 8.250 nan 0.000 0.446 156 N N 3.108 121.799 118.700 -0.016 0.000 2.454 156 N HA 0.075 4.811 4.740 -0.006 0.000 0.260 156 N C -0.363 175.150 175.510 0.005 0.000 1.218 156 N CA 0.684 53.733 53.050 -0.002 0.000 0.904 156 N CB 0.543 39.029 38.487 -0.000 0.000 1.065 156 N HN 0.363 nan 8.380 nan 0.000 0.462 157 M N 0.771 120.379 119.600 0.013 0.000 2.530 157 M HA 0.220 4.696 4.480 -0.006 0.000 0.307 157 M C -0.372 175.934 176.300 0.009 0.000 1.161 157 M CA -0.690 54.617 55.300 0.012 0.000 0.903 157 M CB 2.191 34.802 32.600 0.018 0.000 1.711 157 M HN 0.218 nan 8.290 nan 0.000 0.451 158 T N 3.135 117.688 114.554 -0.002 0.000 2.728 158 T HA 0.383 4.730 4.350 -0.006 0.000 0.296 158 T C -2.400 172.268 174.700 -0.054 0.000 0.940 158 T CA -1.140 60.953 62.100 -0.013 0.000 1.013 158 T CB 0.208 69.065 68.868 -0.018 0.000 0.912 158 T HN 0.304 nan 8.240 nan 0.000 0.484 159 P HA 0.238 nan 4.420 nan 0.000 0.269 159 P C -0.858 176.246 177.300 -0.327 0.000 1.209 159 P CA -0.469 62.499 63.100 -0.221 0.000 0.776 159 P CB 0.530 32.070 31.700 -0.268 0.000 0.876 160 V N 4.002 123.672 119.914 -0.407 0.000 2.525 160 V HA 0.481 4.598 4.120 -0.006 0.000 0.299 160 V C -1.697 174.181 176.094 -0.360 0.000 1.034 160 V CA -0.640 61.432 62.300 -0.381 0.000 0.863 160 V CB 0.563 32.117 31.823 -0.448 0.000 0.999 160 V HN 0.308 nan 8.190 nan 0.000 0.423 161 Y N 2.929 123.250 120.300 0.035 0.000 2.361 161 Y HA 0.692 5.239 4.550 -0.006 0.000 0.332 161 Y C 0.882 176.773 175.900 -0.015 0.000 1.101 161 Y CA -0.695 57.447 58.100 0.070 0.000 1.137 161 Y CB 2.081 40.633 38.460 0.153 0.000 1.207 161 Y HN 0.586 nan 8.280 nan 0.000 0.463 162 T N 2.349 117.015 114.554 0.187 0.000 2.756 162 T HA 0.412 4.759 4.350 -0.006 0.000 0.290 162 T C 0.406 175.110 174.700 0.007 0.000 0.985 162 T CA -0.851 61.306 62.100 0.096 0.000 0.955 162 T CB 0.715 69.697 68.868 0.190 0.000 0.930 162 T HN 0.938 nan 8.240 nan 0.000 0.451 163 G N 2.070 110.808 108.800 -0.104 0.000 2.365 163 G HA2 0.534 4.490 3.960 -0.006 0.000 0.249 163 G HA3 0.534 4.490 3.960 -0.006 0.000 0.249 163 G C -0.313 174.547 174.900 -0.067 0.000 1.288 163 G CA -0.366 44.643 45.100 -0.153 0.000 0.887 163 G HN 0.964 nan 8.290 nan 0.000 0.524 164 A N 2.032 124.835 122.820 -0.028 0.000 2.566 164 A HA 0.834 5.150 4.320 -0.006 0.000 0.292 164 A C -0.797 176.802 177.584 0.025 0.000 1.112 164 A CA -0.725 51.314 52.037 0.003 0.000 0.707 164 A CB 1.367 20.387 19.000 0.033 0.000 1.302 164 A HN 0.704 nan 8.150 nan 0.000 0.409 165 L N 0.748 121.989 121.223 0.029 0.000 2.346 165 L HA 0.499 4.836 4.340 -0.006 0.000 0.276 165 L C 0.214 177.117 176.870 0.055 0.000 1.006 165 L CA -0.697 54.170 54.840 0.046 0.000 0.817 165 L CB 1.974 44.056 42.059 0.038 0.000 1.272 165 L HN 0.764 nan 8.230 nan 0.000 0.421 166 K N 1.952 122.395 120.400 0.071 0.000 2.338 166 K HA 0.025 4.342 4.320 -0.006 0.000 0.290 166 K C -0.522 176.125 176.600 0.079 0.000 1.069 166 K CA -0.367 55.969 56.287 0.082 0.000 0.941 166 K CB 0.413 32.969 32.500 0.093 0.000 1.023 166 K HN 0.449 nan 8.250 nan 0.000 0.477 167 D N 5.181 125.637 120.400 0.093 0.000 2.348 167 D HA -0.018 4.619 4.640 -0.006 0.000 0.259 167 D C -0.694 175.761 176.300 0.257 0.000 1.296 167 D CA 0.294 54.376 54.000 0.137 0.000 0.931 167 D CB 0.318 41.189 40.800 0.118 0.000 1.067 167 D HN 0.576 nan 8.370 nan 0.000 0.503 168 E N 2.090 122.397 120.200 0.178 0.000 2.430 168 E HA 0.358 4.705 4.350 -0.006 0.000 0.279 168 E C -0.876 175.585 176.600 -0.231 0.000 1.003 168 E CA -1.065 55.403 56.400 0.113 0.000 0.801 168 E CB 0.580 30.337 29.700 0.096 0.000 1.313 168 E HN 0.187 nan 8.360 nan 0.000 0.459 169 L N 1.833 122.794 121.223 -0.437 0.000 2.418 169 L HA 0.369 4.706 4.340 -0.006 0.000 0.274 169 L C 0.057 176.881 176.870 -0.078 0.000 1.135 169 L CA -0.562 54.031 54.840 -0.412 0.000 0.870 169 L CB 0.583 42.392 42.059 -0.417 0.000 1.154 169 L HN 0.480 nan 8.230 nan 0.000 0.462 170 V N 0.880 120.671 119.914 -0.205 0.000 3.001 170 V HA 0.532 4.648 4.120 -0.006 0.000 0.314 170 V C -0.288 175.304 176.094 -0.837 0.000 1.099 170 V CA -1.333 60.710 62.300 -0.428 0.000 0.989 170 V CB 1.779 33.439 31.823 -0.271 0.000 1.040 170 V HN 0.783 nan 8.190 nan 0.000 0.434 171 K N 0.409 120.039 120.400 -1.284 0.000 2.414 171 K HA 0.165 4.481 4.320 -0.006 0.000 0.272 171 K C 1.066 177.479 176.600 -0.312 0.000 0.993 171 K CA 0.519 56.261 56.287 -0.907 0.000 0.964 171 K CB 0.712 32.851 32.500 -0.601 0.000 0.925 171 K HN 1.000 nan 8.250 nan 0.000 0.487 172 T N -1.680 112.825 114.554 -0.083 0.000 2.962 172 T HA -0.183 4.163 4.350 -0.006 0.000 0.270 172 T C 1.364 176.132 174.700 0.112 0.000 1.088 172 T CA 1.507 63.671 62.100 0.108 0.000 1.127 172 T CB -0.303 68.717 68.868 0.253 0.000 0.883 172 T HN 0.805 nan 8.240 nan 0.000 0.493 173 D N 1.368 121.779 120.400 0.019 0.000 2.178 173 D HA -0.059 4.578 4.640 -0.006 0.000 0.201 173 D C 2.046 178.312 176.300 -0.056 0.000 0.980 173 D CA 0.834 54.837 54.000 0.006 0.000 0.842 173 D CB -0.111 40.680 40.800 -0.016 0.000 0.948 173 D HN 0.444 nan 8.370 nan 0.000 0.472 174 K N -0.590 119.746 120.400 -0.106 0.000 2.504 174 K HA 0.003 4.319 4.320 -0.006 0.000 0.195 174 K C 1.273 177.763 176.600 -0.184 0.000 1.036 174 K CA 0.523 56.728 56.287 -0.138 0.000 0.984 174 K CB 0.401 32.815 32.500 -0.143 0.000 0.788 174 K HN 0.376 nan 8.250 nan 0.000 0.488 175 I N -1.974 118.458 120.570 -0.231 0.000 3.673 175 I HA -0.062 4.105 4.170 -0.006 0.000 0.281 175 I C 1.104 176.927 176.117 -0.490 0.000 1.182 175 I CA 0.223 61.279 61.300 -0.407 0.000 1.391 175 I CB 0.207 37.841 38.000 -0.610 0.000 1.383 175 I HN -0.051 nan 8.210 nan 0.000 0.456 176 Y N 1.079 121.342 120.300 -0.062 0.000 2.497 176 Y HA 0.364 4.910 4.550 -0.006 0.000 0.265 176 Y C 1.684 177.547 175.900 -0.062 0.000 1.111 176 Y CA 0.222 58.292 58.100 -0.049 0.000 1.288 176 Y CB -0.158 38.286 38.460 -0.027 0.000 1.082 176 Y HN 0.040 nan 8.280 nan 0.000 0.536 177 G N -0.130 108.688 108.800 0.030 0.000 3.414 177 G HA2 0.178 4.134 3.960 -0.006 0.000 0.189 177 G HA3 0.178 4.134 3.960 -0.006 0.000 0.189 177 G C -0.778 174.076 174.900 -0.076 0.000 1.329 177 G CA -0.662 44.430 45.100 -0.013 0.000 0.851 177 G HN -0.083 nan 8.290 nan 0.000 0.671 178 K N 1.153 121.510 120.400 -0.072 0.000 2.307 178 K HA 0.237 4.553 4.320 -0.006 0.000 0.285 178 K C 0.012 176.536 176.600 -0.127 0.000 1.073 178 K CA -0.034 56.199 56.287 -0.092 0.000 0.996 178 K CB -0.780 31.682 32.500 -0.063 0.000 0.994 178 K HN 0.200 nan 8.250 nan 0.000 0.452 179 I N 4.681 125.135 120.570 -0.192 0.000 2.618 179 I HA 0.021 4.187 4.170 -0.006 0.000 0.284 179 I C 0.345 176.369 176.117 -0.154 0.000 1.146 179 I CA 0.442 61.589 61.300 -0.254 0.000 1.425 179 I CB 0.546 38.240 38.000 -0.510 0.000 1.383 179 I HN 0.527 nan 8.210 nan 0.000 0.562 180 K N 6.075 126.409 120.400 -0.111 0.000 2.468 180 K HA 0.564 4.880 4.320 -0.006 0.000 0.252 180 K C -1.072 175.517 176.600 -0.018 0.000 0.932 180 K CA -0.963 55.294 56.287 -0.050 0.000 0.794 180 K CB 2.471 34.946 32.500 -0.043 0.000 1.241 180 K HN 0.362 nan 8.250 nan 0.000 0.428 181 K N 1.787 122.200 120.400 0.021 0.000 2.501 181 K HA 0.274 4.590 4.320 -0.006 0.000 0.252 181 K C -1.179 175.457 176.600 0.059 0.000 0.934 181 K CA -0.818 55.495 56.287 0.042 0.000 0.797 181 K CB 1.861 34.404 32.500 0.072 0.000 1.270 181 K HN 0.457 nan 8.250 nan 0.000 0.431 182 R N 3.770 124.309 120.500 0.065 0.000 2.421 182 R HA 0.058 4.394 4.340 -0.006 0.000 0.305 182 R C -0.523 175.846 176.300 0.115 0.000 1.039 182 R CA -0.388 55.769 56.100 0.096 0.000 1.003 182 R CB 0.241 30.598 30.300 0.094 0.000 0.959 182 R HN 0.435 nan 8.270 nan 0.000 0.427 183 L N 6.480 127.794 121.223 0.152 0.000 2.360 183 L HA 0.251 4.587 4.340 -0.006 0.000 0.276 183 L C -0.979 176.034 176.870 0.239 0.000 1.121 183 L CA 0.321 55.257 54.840 0.159 0.000 0.845 183 L CB 0.745 42.906 42.059 0.171 0.000 1.143 183 L HN 0.516 nan 8.230 nan 0.000 0.452 184 L N 4.697 126.036 121.223 0.193 0.000 2.334 184 L HA 0.387 4.724 4.340 -0.006 0.000 0.275 184 L C -1.134 175.907 176.870 0.284 0.000 1.036 184 L CA -0.568 54.431 54.840 0.265 0.000 0.807 184 L CB 1.312 43.478 42.059 0.178 0.000 1.231 184 L HN 0.603 nan 8.230 nan 0.000 0.438 185 W N 1.565 122.871 121.300 0.011 0.000 2.282 185 W HA 0.514 5.171 4.660 -0.006 0.000 0.322 185 W C 0.529 177.130 176.519 0.137 0.000 1.011 185 W CA -1.013 56.337 57.345 0.009 0.000 1.392 185 W CB 1.232 30.572 29.460 -0.201 0.000 1.215 185 W HN 0.435 nan 8.180 nan 0.000 0.394 186 G N 2.389 111.385 108.800 0.327 0.000 2.349 186 G HA2 0.391 4.347 3.960 -0.006 0.000 0.281 186 G HA3 0.391 4.347 3.960 -0.006 0.000 0.281 186 G C 0.197 175.312 174.900 0.358 0.000 1.182 186 G CA -0.460 44.816 45.100 0.293 0.000 0.899 186 G HN 0.375 nan 8.290 nan 0.000 0.455 187 S N 2.152 118.060 115.700 0.347 0.000 2.603 187 S HA 0.309 4.776 4.470 -0.006 0.000 0.268 187 S C 0.283 174.939 174.600 0.093 0.000 1.317 187 S CA -0.710 57.633 58.200 0.239 0.000 1.012 187 S CB 1.260 64.617 63.200 0.262 0.000 0.926 187 S HN 0.735 nan 8.310 nan 0.000 0.539 188 D N 1.147 121.541 120.400 -0.009 0.000 2.329 188 D HA 0.042 4.678 4.640 -0.006 0.000 0.246 188 D C 1.204 177.494 176.300 -0.016 0.000 1.111 188 D CA -0.739 53.251 54.000 -0.018 0.000 0.941 188 D CB 0.976 41.764 40.800 -0.020 0.000 1.169 188 D HN 0.476 nan 8.370 nan 0.000 0.441 189 L N 2.020 123.213 121.223 -0.050 0.000 2.127 189 L HA -0.110 4.226 4.340 -0.006 0.000 0.211 189 L C 2.278 179.131 176.870 -0.030 0.000 1.089 189 L CA 2.195 56.993 54.840 -0.070 0.000 0.757 189 L CB -0.759 41.191 42.059 -0.182 0.000 0.899 189 L HN 0.640 nan 8.230 nan 0.000 0.434 190 A N -1.379 121.430 122.820 -0.018 0.000 1.873 190 A HA -0.175 4.142 4.320 -0.006 0.000 0.215 190 A C 2.254 179.860 177.584 0.036 0.000 1.186 190 A CA 2.165 54.212 52.037 0.017 0.000 0.616 190 A CB -1.217 17.790 19.000 0.012 0.000 0.823 190 A HN 0.494 nan 8.150 nan 0.000 0.442 191 T N 0.464 115.030 114.554 0.020 0.000 2.684 191 T HA -0.216 4.131 4.350 -0.006 0.000 0.267 191 T C 1.946 176.691 174.700 0.075 0.000 1.036 191 T CA 1.964 64.089 62.100 0.041 0.000 1.148 191 T CB -0.406 68.469 68.868 0.012 0.000 0.863 191 T HN 0.461 nan 8.240 nan 0.000 0.436 192 M N 0.417 120.063 119.600 0.077 0.000 2.073 192 M HA -0.090 4.387 4.480 -0.006 0.000 0.258 192 M C 2.250 178.608 176.300 0.096 0.000 1.070 192 M CA 1.614 56.973 55.300 0.099 0.000 1.103 192 M CB -0.594 32.062 32.600 0.094 0.000 1.321 192 M HN 0.138 nan 8.290 nan 0.000 0.405 193 I N 0.265 120.892 120.570 0.096 0.000 2.163 193 I HA -0.277 3.889 4.170 -0.006 0.000 0.243 193 I C 2.507 178.645 176.117 0.035 0.000 1.085 193 I CA 1.789 63.161 61.300 0.121 0.000 1.347 193 I CB -1.211 36.910 38.000 0.201 0.000 1.044 193 I HN 0.365 nan 8.210 nan 0.000 0.408 194 R N -0.279 120.235 120.500 0.024 0.000 2.081 194 R HA -0.177 4.159 4.340 -0.006 0.000 0.235 194 R C 2.493 178.717 176.300 -0.126 0.000 1.131 194 R CA 1.656 57.731 56.100 -0.041 0.000 0.960 194 R CB -0.719 29.631 30.300 0.083 0.000 0.856 194 R HN 0.366 nan 8.270 nan 0.000 0.436 195 C N 0.260 119.553 119.300 -0.011 0.000 2.432 195 C HA -0.094 4.362 4.460 -0.006 0.000 0.277 195 C C 3.004 177.966 174.990 -0.047 0.000 1.249 195 C CA 0.907 59.951 59.018 0.043 0.000 1.725 195 C CB -0.956 26.879 27.740 0.158 0.000 2.028 195 C HN 0.615 nan 8.230 nan 0.000 0.477 196 A N 0.262 123.068 122.820 -0.022 0.000 1.908 196 A HA -0.188 4.129 4.320 -0.006 0.000 0.218 196 A C 2.252 179.730 177.584 -0.176 0.000 1.181 196 A CA 1.499 53.523 52.037 -0.022 0.000 0.627 196 A CB -0.442 18.689 19.000 0.218 0.000 0.818 196 A HN 0.576 nan 8.150 nan 0.000 0.445 197 R N -0.529 119.774 120.500 -0.328 0.000 2.075 197 R HA -0.015 4.322 4.340 -0.006 0.000 0.232 197 R C 2.440 178.297 176.300 -0.738 0.000 1.126 197 R CA 1.379 57.085 56.100 -0.656 0.000 0.963 197 R CB -1.078 28.312 30.300 -1.516 0.000 0.858 197 R HN 0.539 nan 8.270 nan 0.000 0.435 198 A N 0.106 122.489 122.820 -0.729 0.000 1.873 198 A HA -0.069 4.247 4.320 -0.006 0.000 0.215 198 A C 1.423 178.533 177.584 -0.790 0.000 1.186 198 A CA 1.243 52.830 52.037 -0.751 0.000 0.616 198 A CB -0.234 18.028 19.000 -1.230 0.000 0.823 198 A HN 0.261 nan 8.150 nan 0.000 0.442 199 F N -1.247 118.560 119.950 -0.240 0.000 2.746 199 F HA 0.285 4.808 4.527 -0.006 0.000 0.313 199 F C 2.268 177.766 175.800 -0.504 0.000 1.095 199 F CA -0.434 57.406 58.000 -0.267 0.000 1.224 199 F CB -0.765 38.130 39.000 -0.174 0.000 1.060 199 F HN 0.215 nan 8.300 nan 0.000 0.584 200 G N 1.172 109.512 108.800 -0.766 0.000 2.649 200 G HA2 -0.324 3.632 3.960 -0.006 0.000 0.220 200 G HA3 -0.324 3.632 3.960 -0.006 0.000 0.220 200 G C 2.045 176.049 174.900 -1.493 0.000 1.189 200 G CA 1.390 45.338 45.100 -1.920 0.000 0.777 200 G HN 0.483 nan 8.290 nan 0.000 0.602 201 G N 0.350 108.470 108.800 -1.134 0.000 2.422 201 G HA2 -0.075 3.881 3.960 -0.006 0.000 0.218 201 G HA3 -0.075 3.881 3.960 -0.006 0.000 0.218 201 G C 1.767 176.619 174.900 -0.080 0.000 1.146 201 G CA 1.110 46.028 45.100 -0.304 0.000 0.769 201 G HN 0.474 nan 8.290 nan 0.000 0.547 202 L N 0.315 121.492 121.223 -0.077 0.000 2.027 202 L HA 0.121 4.458 4.340 -0.006 0.000 0.206 202 L C 2.835 179.708 176.870 0.006 0.000 1.074 202 L CA 1.691 56.549 54.840 0.029 0.000 0.745 202 L CB -0.412 41.710 42.059 0.105 0.000 0.898 202 L HN 0.235 nan 8.230 nan 0.000 0.433 203 M N -0.593 118.974 119.600 -0.054 0.000 2.106 203 M HA -0.239 4.237 4.480 -0.006 0.000 0.259 203 M C 1.805 178.121 176.300 0.026 0.000 1.068 203 M CA 1.908 57.190 55.300 -0.031 0.000 1.100 203 M CB -0.558 31.997 32.600 -0.074 0.000 1.351 203 M HN 0.257 nan 8.290 nan 0.000 0.404 204 D N -0.125 120.309 120.400 0.057 0.000 2.097 204 D HA -0.150 4.486 4.640 -0.006 0.000 0.197 204 D C 1.911 178.278 176.300 0.112 0.000 0.984 204 D CA 1.158 55.241 54.000 0.138 0.000 0.826 204 D CB -0.256 40.696 40.800 0.254 0.000 0.973 204 D HN 0.228 nan 8.370 nan 0.000 0.460 205 E N 0.695 120.965 120.200 0.117 0.000 2.070 205 E HA -0.129 4.218 4.350 -0.006 0.000 0.197 205 E C 2.291 179.004 176.600 0.187 0.000 1.004 205 E CA 0.744 57.239 56.400 0.157 0.000 0.805 205 E CB -0.455 29.330 29.700 0.141 0.000 0.744 205 E HN 0.250 nan 8.360 nan 0.000 0.451 206 L N 0.051 121.339 121.223 0.108 0.000 2.012 206 L HA -0.236 4.100 4.340 -0.006 0.000 0.210 206 L C 2.523 179.442 176.870 0.081 0.000 1.073 206 L CA 1.707 56.599 54.840 0.087 0.000 0.748 206 L CB -0.414 41.669 42.059 0.039 0.000 0.891 206 L HN 0.124 nan 8.230 nan 0.000 0.431 207 K N -0.151 120.280 120.400 0.051 0.000 2.147 207 K HA -0.120 4.197 4.320 -0.006 0.000 0.205 207 K C 2.088 178.681 176.600 -0.012 0.000 1.049 207 K CA 1.193 57.494 56.287 0.023 0.000 0.936 207 K CB -0.199 32.322 32.500 0.035 0.000 0.722 207 K HN 0.286 nan 8.250 nan 0.000 0.446 208 A N 0.640 123.436 122.820 -0.040 0.000 2.125 208 A HA -0.138 4.178 4.320 -0.006 0.000 0.219 208 A C 0.897 178.229 177.584 -0.420 0.000 1.156 208 A CA 1.173 53.085 52.037 -0.208 0.000 0.671 208 A CB -0.270 18.587 19.000 -0.239 0.000 0.794 208 A HN 0.314 nan 8.150 nan 0.000 0.459 209 H N -1.525 117.540 119.070 -0.007 0.000 2.575 209 H HA 0.072 4.625 4.556 -0.005 0.000 0.256 209 H C 1.473 176.774 175.328 -0.044 0.000 1.162 209 H CA 0.358 56.392 56.048 -0.023 0.000 0.969 209 H CB -0.274 29.476 29.762 -0.019 0.000 1.796 209 H HN 0.702 nan 8.280 nan 0.000 0.607 210 C N -1.276 118.033 119.300 0.015 0.000 2.472 210 C HA 0.061 4.517 4.460 -0.006 0.000 0.278 210 C C 2.202 177.162 174.990 -0.050 0.000 1.447 210 C CA -0.200 58.808 59.018 -0.017 0.000 1.773 210 C CB -1.432 26.299 27.740 -0.014 0.000 1.793 210 C HN 0.194 nan 8.230 nan 0.000 0.544 211 V N 1.575 121.459 119.914 -0.050 0.000 2.649 211 V HA -0.090 4.026 4.120 -0.006 0.000 0.248 211 V C 2.763 178.805 176.094 -0.087 0.000 1.054 211 V CA 2.516 64.769 62.300 -0.079 0.000 1.073 211 V CB -0.587 31.193 31.823 -0.072 0.000 0.699 211 V HN 0.656 nan 8.190 nan 0.000 0.463 212 T N -0.237 114.291 114.554 -0.042 0.000 2.901 212 T HA 0.148 4.494 4.350 -0.006 0.000 0.252 212 T C 0.602 175.235 174.700 -0.112 0.000 1.035 212 T CA 0.358 62.427 62.100 -0.052 0.000 1.142 212 T CB -0.042 68.840 68.868 0.024 0.000 0.869 212 T HN 0.005 nan 8.240 nan 0.000 0.442 213 L N 2.062 123.230 121.223 -0.092 0.000 2.395 213 L HA 0.309 4.645 4.340 -0.006 0.000 0.269 213 L C -1.626 175.068 176.870 -0.292 0.000 1.133 213 L CA -2.340 52.400 54.840 -0.166 0.000 0.812 213 L CB 0.801 42.821 42.059 -0.066 0.000 1.125 213 L HN -0.067 nan 8.230 nan 0.000 0.452 214 P HA 0.017 nan 4.420 nan 0.000 0.226 214 P C 0.320 177.415 177.300 -0.342 0.000 1.153 214 P CA 0.813 63.563 63.100 -0.583 0.000 0.777 214 P CB 0.180 31.314 31.700 -0.943 0.000 0.794 215 I N 0.930 121.365 120.570 -0.225 0.000 2.483 215 I HA 0.034 4.201 4.170 -0.006 0.000 0.291 215 I C 1.354 177.436 176.117 -0.058 0.000 1.112 215 I CA -0.019 61.255 61.300 -0.044 0.000 1.350 215 I CB 0.421 38.436 38.000 0.025 0.000 1.419 215 I HN -0.190 nan 8.210 nan 0.000 0.523 216 R N 4.813 125.306 120.500 -0.011 0.000 2.359 216 R HA 0.115 4.451 4.340 -0.006 0.000 0.231 216 R C 0.211 176.515 176.300 0.005 0.000 0.913 216 R CA -0.111 56.028 56.100 0.066 0.000 1.075 216 R CB -0.341 30.148 30.300 0.314 0.000 1.087 216 R HN 0.557 nan 8.270 nan 0.000 0.515 217 V N -0.487 119.254 119.914 -0.288 0.000 2.540 217 V HA 0.439 4.555 4.120 -0.006 0.000 0.297 217 V C 1.064 177.111 176.094 -0.078 0.000 1.024 217 V CA 1.129 63.166 62.300 -0.437 0.000 1.105 217 V CB 0.692 32.114 31.823 -0.668 0.000 0.938 217 V HN 0.615 nan 8.190 nan 0.000 0.482 218 G N 3.901 112.733 108.800 0.054 0.000 2.231 218 G HA2 -0.204 3.752 3.960 -0.006 0.000 0.206 218 G HA3 -0.204 3.752 3.960 -0.006 0.000 0.206 218 G C 0.182 175.118 174.900 0.061 0.000 0.996 218 G CA 0.060 45.195 45.100 0.059 0.000 0.645 218 G HN 1.698 nan 8.290 nan 0.000 0.498 219 M N 1.291 120.940 119.600 0.082 0.000 2.248 219 M HA 0.601 5.078 4.480 -0.006 0.000 0.337 219 M C 0.222 176.525 176.300 0.004 0.000 1.121 219 M CA 0.207 55.527 55.300 0.033 0.000 1.155 219 M CB 0.286 32.914 32.600 0.048 0.000 1.514 219 M HN 0.388 nan 8.290 nan 0.000 0.452 220 N N 3.114 121.785 118.700 -0.049 0.000 2.485 220 N HA 0.413 5.149 4.740 -0.006 0.000 0.280 220 N C -0.077 175.317 175.510 -0.192 0.000 1.205 220 N CA -0.887 52.107 53.050 -0.094 0.000 0.959 220 N CB 0.847 39.298 38.487 -0.060 0.000 1.206 220 N HN 0.754 nan 8.380 nan 0.000 0.545 221 M N 0.341 119.734 119.600 -0.345 0.000 2.486 221 M HA 0.037 4.513 4.480 -0.006 0.000 0.264 221 M C 1.032 177.085 176.300 -0.412 0.000 1.125 221 M CA 0.855 55.834 55.300 -0.534 0.000 1.144 221 M CB -1.401 30.576 32.600 -1.039 0.000 1.353 221 M HN 0.848 nan 8.290 nan 0.000 0.466 222 N N 0.257 118.813 118.700 -0.239 0.000 2.309 222 N HA -0.163 4.574 4.740 -0.006 0.000 0.182 222 N C 1.562 177.039 175.510 -0.055 0.000 1.018 222 N CA 1.438 54.477 53.050 -0.019 0.000 0.876 222 N CB 0.025 38.563 38.487 0.084 0.000 0.972 222 N HN 0.539 nan 8.380 nan 0.000 0.434 223 E N -0.702 119.447 120.200 -0.085 0.000 2.713 223 E HA -0.013 4.333 4.350 -0.006 0.000 0.201 223 E C 0.636 177.171 176.600 -0.108 0.000 0.935 223 E CA 0.024 56.382 56.400 -0.070 0.000 1.273 223 E CB 0.109 29.783 29.700 -0.044 0.000 1.221 223 E HN 0.125 nan 8.360 nan 0.000 0.547 224 D N 0.916 121.235 120.400 -0.135 0.000 2.097 224 D HA -0.105 4.531 4.640 -0.006 0.000 0.197 224 D C 1.816 177.942 176.300 -0.290 0.000 0.984 224 D CA 1.431 55.330 54.000 -0.169 0.000 0.826 224 D CB -0.730 39.987 40.800 -0.138 0.000 0.973 224 D HN 0.353 nan 8.370 nan 0.000 0.460 225 G N 2.038 110.610 108.800 -0.380 0.000 2.553 225 G HA2 -0.246 3.710 3.960 -0.006 0.000 0.218 225 G HA3 -0.246 3.710 3.960 -0.006 0.000 0.218 225 G C -0.749 173.620 174.900 -0.885 0.000 1.195 225 G CA 1.007 45.643 45.100 -0.774 0.000 0.779 225 G HN 0.307 nan 8.290 nan 0.000 0.577 226 P HA -0.073 nan 4.420 nan 0.000 0.216 226 P C 1.996 179.256 177.300 -0.067 0.000 1.153 226 P CA 0.867 63.938 63.100 -0.048 0.000 0.858 226 P CB -0.102 31.628 31.700 0.050 0.000 0.789 227 I N -1.320 119.175 120.570 -0.126 0.000 2.127 227 I HA -0.250 3.916 4.170 -0.006 0.000 0.241 227 I C 2.335 178.363 176.117 -0.147 0.000 1.075 227 I CA 1.603 62.842 61.300 -0.102 0.000 1.334 227 I CB -0.583 37.358 38.000 -0.097 0.000 1.040 227 I HN -0.115 nan 8.210 nan 0.000 0.405 228 I N 0.036 120.455 120.570 -0.252 0.000 2.163 228 I HA -0.287 3.880 4.170 -0.006 0.000 0.240 228 I C 2.411 178.479 176.117 -0.081 0.000 1.081 228 I CA 1.425 62.588 61.300 -0.229 0.000 1.353 228 I CB -0.401 37.411 38.000 -0.313 0.000 1.054 228 I HN 0.061 nan 8.210 nan 0.000 0.407 229 F N 0.855 120.731 119.950 -0.124 0.000 2.134 229 F HA -0.186 4.337 4.527 -0.006 0.000 0.299 229 F C 2.615 178.065 175.800 -0.584 0.000 1.097 229 F CA 1.038 58.859 58.000 -0.298 0.000 1.264 229 F CB -1.187 37.691 39.000 -0.203 0.000 1.001 229 F HN 0.129 nan 8.300 nan 0.000 0.479 230 E N 1.024 121.071 120.200 -0.254 0.000 2.077 230 E HA -0.190 4.156 4.350 -0.006 0.000 0.193 230 E C 2.357 178.839 176.600 -0.197 0.000 0.989 230 E CA 1.014 57.222 56.400 -0.320 0.000 0.800 230 E CB -0.031 29.683 29.700 0.023 0.000 0.746 230 E HN 0.323 nan 8.360 nan 0.000 0.452 231 R N -0.215 120.212 120.500 -0.122 0.000 2.081 231 R HA -0.123 4.213 4.340 -0.006 0.000 0.235 231 R C 2.339 178.613 176.300 -0.044 0.000 1.131 231 R CA 1.009 57.059 56.100 -0.083 0.000 0.960 231 R CB -0.937 29.291 30.300 -0.120 0.000 0.856 231 R HN 0.436 nan 8.270 nan 0.000 0.436 232 H N 1.060 120.038 119.070 -0.153 0.000 2.352 232 H HA -0.085 4.468 4.556 -0.006 0.000 0.299 232 H C 2.293 177.619 175.328 -0.004 0.000 1.097 232 H CA 2.111 58.081 56.048 -0.128 0.000 1.311 232 H CB 0.007 29.612 29.762 -0.262 0.000 1.377 232 H HN 0.291 nan 8.280 nan 0.000 0.504 233 S N 0.820 116.417 115.700 -0.172 0.000 2.474 233 S HA -0.078 4.389 4.470 -0.006 0.000 0.235 233 S C 1.906 176.534 174.600 0.047 0.000 0.997 233 S CA 0.477 58.560 58.200 -0.194 0.000 0.949 233 S CB -0.167 62.744 63.200 -0.481 0.000 0.766 233 S HN 0.335 nan 8.310 nan 0.000 0.517 234 R N -0.455 120.061 120.500 0.028 0.000 2.280 234 R HA 0.165 4.501 4.340 -0.006 0.000 0.207 234 R C -0.307 175.841 176.300 -0.254 0.000 1.043 234 R CA 0.459 56.494 56.100 -0.109 0.000 1.006 234 R CB -0.144 30.027 30.300 -0.214 0.000 0.885 234 R HN 0.479 nan 8.270 nan 0.000 0.467 235 Y N 0.097 120.368 120.300 -0.048 0.000 2.403 235 Y HA 0.145 4.692 4.550 -0.006 0.000 0.323 235 Y C 1.430 177.205 175.900 -0.208 0.000 1.226 235 Y CA -0.701 57.320 58.100 -0.131 0.000 1.235 235 Y CB 1.024 39.383 38.460 -0.168 0.000 1.248 235 Y HN -0.313 nan 8.280 nan 0.000 0.489 236 K N 0.539 120.817 120.400 -0.202 0.000 2.076 236 K HA -0.010 4.307 4.320 -0.006 0.000 0.204 236 K C -0.806 175.417 176.600 -0.629 0.000 1.051 236 K CA 1.138 57.145 56.287 -0.467 0.000 0.949 236 K CB 0.110 32.169 32.500 -0.736 0.000 0.726 236 K HN 0.594 nan 8.250 nan 0.000 0.443 237 Y N 0.048 120.159 120.300 -0.314 0.000 2.468 237 Y HA 0.384 4.930 4.550 -0.006 0.000 0.342 237 Y C -0.341 175.202 175.900 -0.594 0.000 1.021 237 Y CA -1.048 56.880 58.100 -0.288 0.000 1.079 237 Y CB 1.681 40.110 38.460 -0.052 0.000 1.226 237 Y HN 0.012 nan 8.280 nan 0.000 0.460 238 H N 2.142 121.359 119.070 0.246 0.000 2.806 238 H HA 0.416 4.968 4.556 -0.006 0.000 0.367 238 H C -1.569 173.857 175.328 0.163 0.000 1.136 238 H CA -0.946 55.163 56.048 0.103 0.000 1.178 238 H CB 2.538 32.309 29.762 0.014 0.000 1.718 238 H HN 0.775 nan 8.280 nan 0.000 0.540 239 Y N -0.272 120.113 120.300 0.143 0.000 2.597 239 Y HA 0.324 4.870 4.550 -0.006 0.000 0.340 239 Y C -0.555 175.367 175.900 0.037 0.000 1.097 239 Y CA -1.219 56.926 58.100 0.075 0.000 1.037 239 Y CB 1.325 39.820 38.460 0.058 0.000 1.305 239 Y HN 0.463 nan 8.280 nan 0.000 0.463 240 D N 1.116 121.639 120.400 0.204 0.000 2.513 240 D HA 0.220 4.857 4.640 -0.006 0.000 0.222 240 D C 1.520 177.867 176.300 0.078 0.000 1.210 240 D CA 0.170 54.219 54.000 0.081 0.000 0.825 240 D CB 0.298 41.100 40.800 0.004 0.000 1.037 240 D HN 1.046 nan 8.370 nan 0.000 0.506 241 A N 1.447 124.354 122.820 0.144 0.000 3.915 241 A HA -0.418 3.898 4.320 -0.006 0.000 0.252 241 A C 1.000 178.334 177.584 -0.418 0.000 2.081 241 A CA 2.185 54.123 52.037 -0.164 0.000 1.025 241 A CB -1.832 17.018 19.000 -0.249 0.000 0.963 241 A HN 0.520 nan 8.150 nan 0.000 0.510 242 D N -2.700 117.514 120.400 -0.309 0.000 3.205 242 D HA -0.165 4.472 4.640 -0.006 0.000 0.227 242 D C -0.411 175.790 176.300 -0.165 0.000 1.171 242 D CA 1.100 55.003 54.000 -0.160 0.000 0.929 242 D CB -1.613 39.147 40.800 -0.067 0.000 0.900 242 D HN 0.655 nan 8.370 nan 0.000 0.404 243 Y N 1.112 121.497 120.300 0.142 0.000 2.359 243 Y HA 0.269 4.815 4.550 -0.006 0.000 0.330 243 Y C 1.485 177.463 175.900 0.129 0.000 1.143 243 Y CA -0.277 57.925 58.100 0.169 0.000 1.318 243 Y CB 1.095 39.757 38.460 0.337 0.000 1.234 243 Y HN 0.117 nan 8.280 nan 0.000 0.522 244 S N 3.297 119.141 115.700 0.240 0.000 2.523 244 S HA 0.272 4.739 4.470 -0.006 0.000 0.275 244 S C 0.256 174.935 174.600 0.132 0.000 1.281 244 S CA -0.534 57.752 58.200 0.144 0.000 1.050 244 S CB -0.003 63.245 63.200 0.080 0.000 0.937 244 S HN 0.786 nan 8.310 nan 0.000 0.492 245 R N 2.573 123.135 120.500 0.103 0.000 3.422 245 R HA -0.165 4.171 4.340 -0.006 0.000 0.267 245 R C 0.932 177.233 176.300 0.001 0.000 1.074 245 R CA 0.740 56.857 56.100 0.028 0.000 0.718 245 R CB -1.722 28.548 30.300 -0.049 0.000 1.157 245 R HN 0.901 nan 8.270 nan 0.000 0.440 246 W N 1.375 122.616 121.300 -0.099 0.000 2.317 246 W HA -0.261 4.395 4.660 -0.006 0.000 0.318 246 W C 1.139 177.506 176.519 -0.254 0.000 1.227 246 W CA 2.272 59.514 57.345 -0.170 0.000 1.269 246 W CB -0.242 29.141 29.460 -0.130 0.000 1.155 246 W HN 0.269 nan 8.180 nan 0.000 0.484 247 D N 0.117 120.512 120.400 -0.007 0.000 2.104 247 D HA -0.206 4.431 4.640 -0.006 0.000 0.194 247 D C 2.423 178.413 176.300 -0.516 0.000 0.994 247 D CA 2.631 56.529 54.000 -0.170 0.000 0.830 247 D CB -0.850 39.946 40.800 -0.007 0.000 0.959 247 D HN 0.238 nan 8.370 nan 0.000 0.452 248 S N -0.350 114.875 115.700 -0.792 0.000 2.474 248 S HA -0.106 4.361 4.470 -0.006 0.000 0.235 248 S C 1.751 175.942 174.600 -0.682 0.000 0.997 248 S CA 1.528 58.955 58.200 -1.288 0.000 0.949 248 S CB -0.529 62.025 63.200 -1.076 0.000 0.766 248 S HN 0.332 nan 8.310 nan 0.000 0.517 249 T N -2.251 111.981 114.554 -0.536 0.000 3.069 249 T HA 0.248 4.595 4.350 -0.006 0.000 0.252 249 T C 0.454 174.856 174.700 -0.497 0.000 1.053 249 T CA -0.463 61.369 62.100 -0.446 0.000 0.964 249 T CB -0.081 68.542 68.868 -0.407 0.000 1.005 249 T HN 0.153 nan 8.240 nan 0.000 0.532 250 Q N 2.120 121.583 119.800 -0.562 0.000 2.373 250 Q HA 0.310 4.646 4.340 -0.006 0.000 0.255 250 Q C -0.215 175.591 176.000 -0.324 0.000 0.980 250 Q CA 0.342 55.829 55.803 -0.527 0.000 0.882 250 Q CB 0.721 29.133 28.738 -0.543 0.000 1.249 250 Q HN 0.602 nan 8.270 nan 0.000 0.438 251 Q N 1.931 121.559 119.800 -0.286 0.000 2.271 251 Q HA 0.271 4.607 4.340 -0.006 0.000 0.258 251 Q C 0.905 176.827 176.000 -0.130 0.000 0.936 251 Q CA -0.676 55.018 55.803 -0.182 0.000 0.909 251 Q CB 1.451 30.079 28.738 -0.184 0.000 1.253 251 Q HN 0.311 nan 8.270 nan 0.000 0.440 252 R N 1.296 121.758 120.500 -0.062 0.000 2.152 252 R HA -0.151 4.185 4.340 -0.006 0.000 0.232 252 R C 1.715 178.021 176.300 0.010 0.000 1.117 252 R CA 1.313 57.416 56.100 0.004 0.000 0.981 252 R CB -0.454 29.870 30.300 0.040 0.000 0.870 252 R HN 0.733 nan 8.270 nan 0.000 0.451 253 A N 0.571 123.372 122.820 -0.033 0.000 1.902 253 A HA -0.093 4.224 4.320 -0.006 0.000 0.217 253 A C 2.409 179.963 177.584 -0.049 0.000 1.181 253 A CA 1.358 53.372 52.037 -0.038 0.000 0.623 253 A CB -0.353 18.609 19.000 -0.063 0.000 0.818 253 A HN 0.105 nan 8.150 nan 0.000 0.443 254 V N 0.084 119.945 119.914 -0.090 0.000 2.488 254 V HA -0.172 3.945 4.120 -0.006 0.000 0.246 254 V C 2.489 178.573 176.094 -0.018 0.000 1.046 254 V CA 1.501 63.741 62.300 -0.101 0.000 1.053 254 V CB -0.717 30.991 31.823 -0.190 0.000 0.679 254 V HN 0.552 nan 8.190 nan 0.000 0.458 255 L N 0.353 121.582 121.223 0.011 0.000 2.079 255 L HA -0.210 4.127 4.340 -0.006 0.000 0.210 255 L C 2.726 179.811 176.870 0.358 0.000 1.081 255 L CA 1.648 56.616 54.840 0.213 0.000 0.752 255 L CB -0.820 41.358 42.059 0.198 0.000 0.896 255 L HN 0.387 nan 8.230 nan 0.000 0.433 256 A N 0.036 122.957 122.820 0.169 0.000 1.873 256 A HA -0.131 4.186 4.320 -0.006 0.000 0.215 256 A C 2.575 180.195 177.584 0.061 0.000 1.186 256 A CA 1.621 53.718 52.037 0.100 0.000 0.616 256 A CB -0.687 18.343 19.000 0.050 0.000 0.823 256 A HN 0.386 nan 8.150 nan 0.000 0.442 257 A N 0.014 122.858 122.820 0.040 0.000 1.883 257 A HA 0.096 4.412 4.320 -0.006 0.000 0.217 257 A C 2.533 180.136 177.584 0.031 0.000 1.186 257 A CA 2.365 54.408 52.037 0.011 0.000 0.624 257 A CB -1.138 17.847 19.000 -0.025 0.000 0.822 257 A HN 1.107 nan 8.150 nan 0.000 0.444 258 A N -0.472 122.404 122.820 0.093 0.000 1.883 258 A HA -0.098 4.218 4.320 -0.006 0.000 0.217 258 A C 2.210 179.835 177.584 0.069 0.000 1.186 258 A CA 1.615 53.737 52.037 0.142 0.000 0.624 258 A CB -0.658 18.531 19.000 0.315 0.000 0.822 258 A HN 0.481 nan 8.150 nan 0.000 0.444 259 L N -0.867 120.352 121.223 -0.006 0.000 2.083 259 L HA -0.218 4.119 4.340 -0.006 0.000 0.209 259 L C 2.603 179.415 176.870 -0.096 0.000 1.083 259 L CA 1.639 56.333 54.840 -0.243 0.000 0.752 259 L CB -0.440 41.399 42.059 -0.366 0.000 0.899 259 L HN 0.491 nan 8.230 nan 0.000 0.433 260 E N 0.027 120.213 120.200 -0.024 0.000 2.085 260 E HA -0.247 4.099 4.350 -0.006 0.000 0.194 260 E C 2.199 178.817 176.600 0.030 0.000 0.994 260 E CA 1.335 57.737 56.400 0.003 0.000 0.801 260 E CB -0.083 29.616 29.700 -0.001 0.000 0.743 260 E HN 0.479 nan 8.360 nan 0.000 0.453 261 I N 0.359 120.958 120.570 0.048 0.000 2.202 261 I HA -0.301 3.865 4.170 -0.006 0.000 0.242 261 I C 2.389 178.646 176.117 0.233 0.000 1.091 261 I CA 1.097 62.483 61.300 0.142 0.000 1.368 261 I CB -0.169 37.884 38.000 0.089 0.000 1.058 261 I HN 0.155 nan 8.210 nan 0.000 0.410 262 M N -0.234 119.414 119.600 0.081 0.000 2.080 262 M HA -0.203 4.273 4.480 -0.006 0.000 0.260 262 M C 2.386 178.815 176.300 0.215 0.000 1.068 262 M CA 1.624 56.952 55.300 0.048 0.000 1.109 262 M CB -0.505 31.881 32.600 -0.357 0.000 1.342 262 M HN 0.076 nan 8.290 nan 0.000 0.405 263 V N 0.575 120.601 119.914 0.186 0.000 2.255 263 V HA -0.326 3.790 4.120 -0.006 0.000 0.247 263 V C 2.358 178.523 176.094 0.118 0.000 1.051 263 V CA 2.089 64.520 62.300 0.218 0.000 1.018 263 V CB -0.809 31.092 31.823 0.130 0.000 0.641 263 V HN 0.482 nan 8.190 nan 0.000 0.445 264 K N -0.639 119.785 120.400 0.040 0.000 2.127 264 K HA -0.218 4.098 4.320 -0.006 0.000 0.208 264 K C 1.607 178.066 176.600 -0.234 0.000 1.047 264 K CA 2.092 58.295 56.287 -0.140 0.000 0.927 264 K CB -0.201 32.136 32.500 -0.272 0.000 0.716 264 K HN 0.486 nan 8.250 nan 0.000 0.450 265 F N 0.666 120.649 119.950 0.055 0.000 2.693 265 F HA 0.103 4.627 4.527 -0.006 0.000 0.303 265 F C 0.751 176.596 175.800 0.075 0.000 1.097 265 F CA -0.492 57.542 58.000 0.056 0.000 1.330 265 F CB 0.415 39.442 39.000 0.045 0.000 1.067 265 F HN -0.069 nan 8.300 nan 0.000 0.565 266 S N -0.936 114.892 115.700 0.214 0.000 2.652 266 S HA 0.185 4.651 4.470 -0.006 0.000 0.270 266 S C 1.409 176.068 174.600 0.099 0.000 1.243 266 S CA -0.109 58.190 58.200 0.165 0.000 0.999 266 S CB 1.454 64.747 63.200 0.155 0.000 0.973 266 S HN 0.204 nan 8.310 nan 0.000 0.544 267 S N 0.508 116.253 115.700 0.075 0.000 2.399 267 S HA -0.077 4.390 4.470 -0.006 0.000 0.231 267 S C 0.098 174.746 174.600 0.081 0.000 1.022 267 S CA 0.872 59.122 58.200 0.083 0.000 0.983 267 S CB -0.668 62.588 63.200 0.093 0.000 0.803 267 S HN 0.838 nan 8.310 nan 0.000 0.480 268 E N 1.134 121.364 120.200 0.051 0.000 3.108 268 E HA 0.343 4.689 4.350 -0.006 0.000 0.228 268 E C -2.398 174.161 176.600 -0.069 0.000 1.176 268 E CA -1.931 54.471 56.400 0.002 0.000 0.881 268 E CB 1.570 31.211 29.700 -0.098 0.000 1.354 268 E HN 0.137 nan 8.360 nan 0.000 0.400 269 P HA -0.269 nan 4.420 nan 0.000 0.216 269 P C 1.170 178.469 177.300 -0.002 0.000 1.150 269 P CA 1.355 64.471 63.100 0.027 0.000 0.843 269 P CB 0.033 31.761 31.700 0.045 0.000 0.787 270 H N -1.047 117.985 119.070 -0.063 0.000 2.457 270 H HA 0.022 4.574 4.556 -0.006 0.000 0.294 270 H C 1.704 176.949 175.328 -0.138 0.000 1.064 270 H CA 0.964 56.961 56.048 -0.086 0.000 1.330 270 H CB -1.155 28.559 29.762 -0.081 0.000 1.395 270 H HN 0.180 nan 8.280 nan 0.000 0.541 271 L N 0.275 121.094 121.223 -0.673 0.000 2.202 271 L HA 0.174 4.511 4.340 -0.006 0.000 0.205 271 L C 3.012 179.649 176.870 -0.389 0.000 1.083 271 L CA 0.689 55.116 54.840 -0.688 0.000 0.790 271 L CB -0.389 40.998 42.059 -1.121 0.000 0.942 271 L HN 0.299 nan 8.230 nan 0.000 0.452 272 A N -0.739 121.938 122.820 -0.238 0.000 2.015 272 A HA -0.185 4.132 4.320 -0.006 0.000 0.219 272 A C 2.230 179.766 177.584 -0.079 0.000 1.163 272 A CA 0.999 52.916 52.037 -0.201 0.000 0.646 272 A CB -0.341 18.506 19.000 -0.254 0.000 0.806 272 A HN 0.342 nan 8.150 nan 0.000 0.448 273 Q N -0.105 119.662 119.800 -0.055 0.000 2.135 273 Q HA -0.147 4.190 4.340 -0.006 0.000 0.204 273 Q C 2.210 178.200 176.000 -0.017 0.000 0.981 273 Q CA 1.910 57.706 55.803 -0.011 0.000 0.856 273 Q CB -0.325 28.404 28.738 -0.016 0.000 0.902 273 Q HN 0.524 nan 8.270 nan 0.000 0.425 274 V N -0.141 119.739 119.914 -0.056 0.000 2.358 274 V HA -0.193 3.923 4.120 -0.006 0.000 0.246 274 V C 2.475 178.564 176.094 -0.008 0.000 1.047 274 V CA 1.238 63.512 62.300 -0.043 0.000 1.035 274 V CB -0.582 31.190 31.823 -0.085 0.000 0.658 274 V HN 0.096 nan 8.190 nan 0.000 0.452 275 V N 0.601 120.515 119.914 0.001 0.000 2.343 275 V HA -0.245 3.872 4.120 -0.006 0.000 0.247 275 V C 2.742 178.871 176.094 0.059 0.000 1.051 275 V CA 2.024 64.350 62.300 0.043 0.000 1.036 275 V CB -1.197 30.638 31.823 0.021 0.000 0.654 275 V HN 0.545 nan 8.190 nan 0.000 0.451 276 A N 1.024 123.886 122.820 0.070 0.000 1.902 276 A HA -0.247 4.069 4.320 -0.006 0.000 0.217 276 A C 2.224 179.796 177.584 -0.021 0.000 1.181 276 A CA 1.829 53.869 52.037 0.006 0.000 0.623 276 A CB -0.506 18.511 19.000 0.029 0.000 0.818 276 A HN 0.777 nan 8.150 nan 0.000 0.443 277 E N -0.374 119.831 120.200 0.008 0.000 2.204 277 E HA -0.201 4.145 4.350 -0.006 0.000 0.194 277 E C 0.813 177.435 176.600 0.037 0.000 0.989 277 E CA 1.215 57.627 56.400 0.019 0.000 0.824 277 E CB -0.383 29.325 29.700 0.014 0.000 0.756 277 E HN 0.489 nan 8.360 nan 0.000 0.477 278 D N 1.252 121.676 120.400 0.039 0.000 2.183 278 D HA -0.036 4.601 4.640 -0.006 0.000 0.203 278 D C 2.147 178.506 176.300 0.099 0.000 0.969 278 D CA 0.669 54.704 54.000 0.059 0.000 0.842 278 D CB -0.079 40.751 40.800 0.048 0.000 0.957 278 D HN 0.243 nan 8.370 nan 0.000 0.484 279 L N -0.008 121.266 121.223 0.086 0.000 2.141 279 L HA -0.136 4.200 4.340 -0.006 0.000 0.209 279 L C 2.034 179.031 176.870 0.213 0.000 1.094 279 L CA 0.437 55.363 54.840 0.143 0.000 0.763 279 L CB -0.121 41.904 42.059 -0.056 0.000 0.908 279 L HN 0.052 nan 8.230 nan 0.000 0.437 280 L N -1.006 120.298 121.223 0.135 0.000 2.209 280 L HA 0.087 4.423 4.340 -0.006 0.000 0.207 280 L C 1.410 178.366 176.870 0.144 0.000 1.094 280 L CA 0.795 55.733 54.840 0.164 0.000 0.790 280 L CB -0.477 41.643 42.059 0.103 0.000 0.932 280 L HN 0.029 nan 8.230 nan 0.000 0.447 281 S N 0.445 116.217 115.700 0.120 0.000 2.563 281 S HA 0.098 4.564 4.470 -0.006 0.000 0.284 281 S C -2.175 172.508 174.600 0.137 0.000 1.331 281 S CA -0.826 57.437 58.200 0.106 0.000 1.047 281 S CB 0.096 63.346 63.200 0.084 0.000 0.859 281 S HN 0.053 nan 8.310 nan 0.000 0.514 282 P HA 0.005 nan 4.420 nan 0.000 0.259 282 P C -0.773 176.631 177.300 0.173 0.000 1.163 282 P CA 0.355 63.534 63.100 0.132 0.000 0.760 282 P CB 0.150 31.905 31.700 0.093 0.000 0.762 283 S N 1.974 117.819 115.700 0.242 0.000 2.548 283 S HA 0.193 4.660 4.470 -0.006 0.000 0.277 283 S C 0.249 175.004 174.600 0.259 0.000 1.315 283 S CA -0.678 57.741 58.200 0.364 0.000 1.050 283 S CB 0.491 64.023 63.200 0.554 0.000 0.918 283 S HN 0.154 nan 8.310 nan 0.000 0.497 284 V N 4.412 124.461 119.914 0.225 0.000 2.408 284 V HA 0.307 4.423 4.120 -0.006 0.000 0.267 284 V C 0.124 176.286 176.094 0.113 0.000 1.047 284 V CA -0.294 62.061 62.300 0.092 0.000 0.937 284 V CB 0.888 32.702 31.823 -0.014 0.000 0.999 284 V HN 0.663 nan 8.190 nan 0.000 0.472 285 V N 4.686 124.601 119.914 0.001 0.000 2.540 285 V HA 0.581 4.697 4.120 -0.006 0.000 0.302 285 V C -0.671 175.356 176.094 -0.113 0.000 1.035 285 V CA -0.574 61.669 62.300 -0.093 0.000 0.873 285 V CB 2.056 33.638 31.823 -0.401 0.000 0.992 285 V HN 0.834 nan 8.190 nan 0.000 0.428 286 D N 4.352 124.694 120.400 -0.097 0.000 2.359 286 D HA 0.263 4.900 4.640 -0.006 0.000 0.230 286 D C 0.748 176.973 176.300 -0.126 0.000 1.118 286 D CA 0.113 54.059 54.000 -0.089 0.000 0.844 286 D CB 1.801 42.583 40.800 -0.030 0.000 1.059 286 D HN 0.686 nan 8.370 nan 0.000 0.493 287 V N 1.867 121.685 119.914 -0.160 0.000 3.596 287 V HA 0.521 4.638 4.120 -0.006 0.000 0.289 287 V C 1.194 177.160 176.094 -0.214 0.000 1.336 287 V CA 0.740 62.931 62.300 -0.182 0.000 1.137 287 V CB 0.073 31.767 31.823 -0.216 0.000 0.966 287 V HN 0.705 nan 8.190 nan 0.000 0.428 288 G N 0.642 109.314 108.800 -0.213 0.000 3.178 288 G HA2 -0.252 3.705 3.960 -0.006 0.000 0.200 288 G HA3 -0.252 3.705 3.960 -0.006 0.000 0.200 288 G C 0.531 175.259 174.900 -0.288 0.000 1.831 288 G CA 0.328 45.293 45.100 -0.225 0.000 1.470 288 G HN 0.379 nan 8.290 nan 0.000 0.591 289 D N 0.705 120.804 120.400 -0.501 0.000 2.194 289 D HA 0.258 4.894 4.640 -0.006 0.000 0.204 289 D C 0.492 176.404 176.300 -0.648 0.000 0.964 289 D CA 0.939 54.516 54.000 -0.705 0.000 0.846 289 D CB 0.037 40.135 40.800 -1.171 0.000 0.962 289 D HN 0.254 nan 8.370 nan 0.000 0.490 290 F N 0.243 120.064 119.950 -0.215 0.000 2.577 290 F HA 0.425 4.948 4.527 -0.006 0.000 0.318 290 F C 0.458 176.141 175.800 -0.195 0.000 1.065 290 F CA -1.220 56.651 58.000 -0.215 0.000 0.929 290 F CB 1.275 40.082 39.000 -0.322 0.000 1.237 290 F HN -0.562 nan 8.300 nan 0.000 0.468 291 K N 2.993 123.433 120.400 0.066 0.000 2.185 291 K HA 0.721 5.037 4.320 -0.006 0.000 0.269 291 K C -0.730 175.863 176.600 -0.012 0.000 0.987 291 K CA -0.552 55.727 56.287 -0.013 0.000 0.865 291 K CB 1.814 34.286 32.500 -0.046 0.000 1.090 291 K HN 0.673 nan 8.250 nan 0.000 0.450 292 I N -2.041 118.508 120.570 -0.034 0.000 2.957 292 I HA 0.508 4.674 4.170 -0.006 0.000 0.310 292 I C -0.491 175.623 176.117 -0.005 0.000 1.063 292 I CA -0.782 60.505 61.300 -0.022 0.000 1.033 292 I CB 2.223 40.225 38.000 0.004 0.000 1.230 292 I HN 0.317 nan 8.210 nan 0.000 0.447 293 S N 3.960 119.670 115.700 0.016 0.000 2.456 293 S HA 0.635 5.101 4.470 -0.006 0.000 0.316 293 S C -0.695 173.944 174.600 0.065 0.000 1.089 293 S CA -0.654 57.572 58.200 0.043 0.000 1.101 293 S CB 0.540 63.762 63.200 0.038 0.000 0.995 293 S HN 0.461 nan 8.310 nan 0.000 0.468 294 I N 5.608 126.238 120.570 0.099 0.000 2.355 294 I HA 0.281 4.447 4.170 -0.006 0.000 0.288 294 I C 0.507 176.724 176.117 0.167 0.000 0.999 294 I CA -0.621 60.763 61.300 0.140 0.000 1.163 294 I CB 1.183 39.288 38.000 0.175 0.000 1.316 294 I HN 0.800 nan 8.210 nan 0.000 0.454 295 N N 4.188 122.969 118.700 0.135 0.000 2.353 295 N HA 0.059 4.795 4.740 -0.006 0.000 0.185 295 N C 0.270 175.848 175.510 0.114 0.000 1.098 295 N CA 0.249 53.369 53.050 0.116 0.000 0.872 295 N CB 0.578 39.112 38.487 0.079 0.000 0.970 295 N HN 0.435 nan 8.380 nan 0.000 0.467 296 E N -0.701 119.584 120.200 0.143 0.000 2.431 296 E HA 0.599 4.945 4.350 -0.006 0.000 0.268 296 E C 0.284 176.988 176.600 0.173 0.000 0.953 296 E CA -0.344 56.121 56.400 0.109 0.000 0.810 296 E CB 1.959 31.691 29.700 0.053 0.000 1.369 296 E HN 0.204 nan 8.360 nan 0.000 0.440 297 G N 0.094 108.916 108.800 0.037 0.000 2.796 297 G HA2 -0.211 3.746 3.960 -0.006 0.000 0.571 297 G HA3 -0.211 3.746 3.960 -0.006 0.000 0.571 297 G C -1.211 173.633 174.900 -0.094 0.000 1.370 297 G CA -0.262 44.826 45.100 -0.021 0.000 0.856 297 G HN 0.353 nan 8.290 nan 0.000 0.538 298 L N 1.451 122.558 121.223 -0.193 0.000 2.264 298 L HA 0.657 4.993 4.340 -0.006 0.000 0.289 298 L C -1.930 174.575 176.870 -0.609 0.000 1.044 298 L CA -1.979 52.621 54.840 -0.400 0.000 0.807 298 L CB 1.398 43.188 42.059 -0.448 0.000 1.192 298 L HN 0.324 nan 8.230 nan 0.000 0.425 299 P HA -0.054 nan 4.420 nan 0.000 0.243 299 P C -0.478 176.087 177.300 -1.225 0.000 1.134 299 P CA 0.353 62.470 63.100 -1.638 0.000 1.109 299 P CB 0.004 31.134 31.700 -0.950 0.000 1.140 300 S N 4.183 118.955 115.700 -1.548 0.000 2.643 300 S HA 0.288 4.754 4.470 -0.006 0.000 0.329 300 S C 1.175 175.649 174.600 -0.211 0.000 1.193 300 S CA 0.870 58.728 58.200 -0.570 0.000 1.293 300 S CB -1.634 61.462 63.200 -0.173 0.000 1.205 300 S HN 0.784 nan 8.310 nan 0.000 0.550 301 G N 2.877 111.620 108.800 -0.095 0.000 2.683 301 G HA2 -0.143 3.813 3.960 -0.006 0.000 0.234 301 G HA3 -0.143 3.813 3.960 -0.006 0.000 0.234 301 G C -0.401 174.567 174.900 0.113 0.000 1.135 301 G CA -0.285 44.845 45.100 0.051 0.000 0.975 301 G HN 1.304 nan 8.290 nan 0.000 0.511 302 V N -1.176 118.810 119.914 0.119 0.000 2.465 302 V HA 0.450 4.566 4.120 -0.006 0.000 0.263 302 V C -1.707 174.505 176.094 0.196 0.000 0.981 302 V CA -1.987 60.428 62.300 0.192 0.000 0.838 302 V CB 1.042 33.024 31.823 0.264 0.000 1.068 302 V HN 0.269 nan 8.190 nan 0.000 0.458 303 P HA -0.245 nan 4.420 nan 0.000 0.261 303 P C 0.916 178.315 177.300 0.165 0.000 1.101 303 P CA 1.535 64.727 63.100 0.155 0.000 0.751 303 P CB -0.063 31.723 31.700 0.144 0.000 0.683 304 C N 1.968 121.355 119.300 0.144 0.000 5.886 304 C HA -0.238 4.218 4.460 -0.006 0.000 0.304 304 C C 2.465 177.561 174.990 0.177 0.000 2.224 304 C CA 2.391 61.490 59.018 0.136 0.000 1.983 304 C CB -2.559 25.272 27.740 0.152 0.000 3.022 304 C HN 0.785 nan 8.230 nan 0.000 0.394 305 T N 0.371 115.060 114.554 0.225 0.000 2.881 305 T HA -0.090 4.257 4.350 -0.006 0.000 0.270 305 T C 1.664 176.455 174.700 0.151 0.000 1.068 305 T CA 2.633 64.898 62.100 0.275 0.000 1.131 305 T CB -0.732 68.243 68.868 0.179 0.000 0.871 305 T HN 1.650 nan 8.240 nan 0.000 0.479 306 S N 1.797 117.556 115.700 0.099 0.000 2.368 306 S HA -0.198 4.269 4.470 -0.006 0.000 0.224 306 S C 2.154 176.751 174.600 -0.005 0.000 1.029 306 S CA 0.965 59.186 58.200 0.035 0.000 0.988 306 S CB -0.565 62.652 63.200 0.029 0.000 0.838 306 S HN 0.516 nan 8.310 nan 0.000 0.462 307 Q N 0.212 120.022 119.800 0.017 0.000 2.079 307 Q HA 0.007 4.343 4.340 -0.006 0.000 0.200 307 Q C 1.707 177.781 176.000 0.124 0.000 0.974 307 Q CA 1.608 57.428 55.803 0.028 0.000 0.840 307 Q CB -0.652 28.092 28.738 0.009 0.000 0.898 307 Q HN 0.790 nan 8.270 nan 0.000 0.430 308 W N 1.924 123.177 121.300 -0.078 0.000 2.317 308 W HA -0.221 4.435 4.660 -0.006 0.000 0.318 308 W C 1.842 178.358 176.519 -0.005 0.000 1.227 308 W CA 1.824 59.122 57.345 -0.078 0.000 1.269 308 W CB -1.022 28.369 29.460 -0.115 0.000 1.155 308 W HN 0.183 nan 8.180 nan 0.000 0.484 309 N N -0.036 118.620 118.700 -0.075 0.000 2.069 309 N HA -0.185 4.552 4.740 -0.006 0.000 0.191 309 N C 1.908 177.444 175.510 0.043 0.000 1.031 309 N CA 2.417 55.403 53.050 -0.107 0.000 0.852 309 N CB -0.756 37.689 38.487 -0.070 0.000 1.018 309 N HN 0.109 nan 8.380 nan 0.000 0.423 310 S N 0.155 115.887 115.700 0.053 0.000 2.383 310 S HA -0.031 4.436 4.470 -0.006 0.000 0.229 310 S C 2.026 176.712 174.600 0.142 0.000 1.030 310 S CA 0.874 59.121 58.200 0.079 0.000 1.002 310 S CB -0.187 63.056 63.200 0.072 0.000 0.829 310 S HN 0.363 nan 8.310 nan 0.000 0.467 311 I N 1.601 122.289 120.570 0.198 0.000 2.252 311 I HA -0.180 3.986 4.170 -0.006 0.000 0.245 311 I C 2.740 178.939 176.117 0.137 0.000 1.102 311 I CA 0.960 62.404 61.300 0.241 0.000 1.385 311 I CB -0.632 37.484 38.000 0.194 0.000 1.064 311 I HN 0.253 nan 8.210 nan 0.000 0.414 312 A N 0.356 123.239 122.820 0.105 0.000 1.892 312 A HA -0.337 3.979 4.320 -0.006 0.000 0.218 312 A C 2.206 179.841 177.584 0.086 0.000 1.188 312 A CA 2.293 54.360 52.037 0.050 0.000 0.631 312 A CB -1.312 17.671 19.000 -0.029 0.000 0.822 312 A HN 0.540 nan 8.150 nan 0.000 0.447 313 H N -2.896 116.174 119.070 -0.001 0.000 2.319 313 H HA -0.237 4.316 4.556 -0.006 0.000 0.299 313 H C 1.909 176.924 175.328 -0.522 0.000 1.092 313 H CA 1.779 57.721 56.048 -0.176 0.000 1.302 313 H CB -0.195 29.207 29.762 -0.601 0.000 1.373 313 H HN 0.703 nan 8.280 nan 0.000 0.497 314 W N 1.402 122.263 121.300 -0.731 0.000 2.363 314 W HA -0.180 4.476 4.660 -0.006 0.000 0.296 314 W C 1.789 178.201 176.519 -0.179 0.000 1.212 314 W CA 1.288 58.281 57.345 -0.587 0.000 1.260 314 W CB -0.822 28.553 29.460 -0.142 0.000 1.131 314 W HN 0.272 nan 8.180 nan 0.000 0.530 315 L N -0.160 121.065 121.223 0.004 0.000 2.027 315 L HA -0.237 4.099 4.340 -0.006 0.000 0.206 315 L C 2.627 179.493 176.870 -0.008 0.000 1.074 315 L CA 1.287 56.087 54.840 -0.066 0.000 0.745 315 L CB -0.982 41.023 42.059 -0.091 0.000 0.898 315 L HN -0.098 nan 8.230 nan 0.000 0.433 316 L N -1.102 120.126 121.223 0.010 0.000 2.083 316 L HA -0.182 4.154 4.340 -0.006 0.000 0.209 316 L C 2.558 179.545 176.870 0.195 0.000 1.083 316 L CA 1.319 56.206 54.840 0.079 0.000 0.752 316 L CB -0.843 41.247 42.059 0.051 0.000 0.899 316 L HN 0.250 nan 8.230 nan 0.000 0.433 317 T N 0.098 114.742 114.554 0.151 0.000 2.737 317 T HA -0.127 4.219 4.350 -0.006 0.000 0.265 317 T C 1.985 176.774 174.700 0.149 0.000 1.038 317 T CA 1.127 63.321 62.100 0.157 0.000 1.144 317 T CB -0.214 68.681 68.868 0.046 0.000 0.866 317 T HN 0.170 nan 8.240 nan 0.000 0.434 318 L N 0.380 121.697 121.223 0.155 0.000 2.046 318 L HA -0.124 4.212 4.340 -0.006 0.000 0.208 318 L C 2.876 179.849 176.870 0.172 0.000 1.077 318 L CA 0.976 55.940 54.840 0.206 0.000 0.747 318 L CB -0.571 41.601 42.059 0.189 0.000 0.896 318 L HN 0.395 nan 8.230 nan 0.000 0.432 319 C N -0.639 118.753 119.300 0.153 0.000 2.453 319 C HA -0.127 4.330 4.460 -0.006 0.000 0.277 319 C C 3.115 178.252 174.990 0.245 0.000 1.262 319 C CA 0.738 59.857 59.018 0.167 0.000 1.718 319 C CB -0.989 26.816 27.740 0.109 0.000 2.031 319 C HN 0.626 nan 8.230 nan 0.000 0.480 320 A N 0.273 123.270 122.820 0.296 0.000 1.898 320 A HA -0.063 4.253 4.320 -0.006 0.000 0.216 320 A C 2.113 179.767 177.584 0.116 0.000 1.181 320 A CA 1.405 53.540 52.037 0.164 0.000 0.620 320 A CB -0.595 18.461 19.000 0.093 0.000 0.819 320 A HN 0.606 nan 8.150 nan 0.000 0.442 321 L N -0.907 120.413 121.223 0.163 0.000 2.056 321 L HA -0.129 4.207 4.340 -0.006 0.000 0.207 321 L C 2.897 179.849 176.870 0.135 0.000 1.078 321 L CA 1.399 56.337 54.840 0.162 0.000 0.749 321 L CB -0.584 41.616 42.059 0.235 0.000 0.901 321 L HN 0.493 nan 8.230 nan 0.000 0.433 322 S N -0.086 115.700 115.700 0.144 0.000 2.359 322 S HA -0.241 4.226 4.470 -0.006 0.000 0.224 322 S C 1.881 176.534 174.600 0.089 0.000 1.035 322 S CA 1.678 59.947 58.200 0.115 0.000 1.018 322 S CB -0.127 63.141 63.200 0.112 0.000 0.876 322 S HN 0.419 nan 8.310 nan 0.000 0.448 323 E N -0.333 119.923 120.200 0.093 0.000 2.106 323 E HA -0.055 4.291 4.350 -0.006 0.000 0.192 323 E C 1.957 178.581 176.600 0.041 0.000 0.984 323 E CA 1.117 57.560 56.400 0.071 0.000 0.806 323 E CB -0.088 29.668 29.700 0.092 0.000 0.750 323 E HN 0.354 nan 8.360 nan 0.000 0.458 324 V N 0.125 120.059 119.914 0.034 0.000 3.306 324 V HA -0.086 4.031 4.120 -0.006 0.000 0.264 324 V C 1.879 177.982 176.094 0.016 0.000 1.149 324 V CA 1.467 63.772 62.300 0.009 0.000 1.143 324 V CB 0.455 32.271 31.823 -0.011 0.000 0.767 324 V HN 0.239 nan 8.190 nan 0.000 0.476 325 T N -1.469 113.107 114.554 0.037 0.000 2.955 325 T HA 0.135 4.482 4.350 -0.006 0.000 0.251 325 T C 1.017 175.742 174.700 0.040 0.000 1.002 325 T CA 0.215 62.339 62.100 0.040 0.000 0.970 325 T CB -0.152 68.754 68.868 0.063 0.000 1.091 325 T HN 0.485 nan 8.240 nan 0.000 0.495 326 N N 1.115 119.841 118.700 0.043 0.000 2.725 326 N HA -0.133 4.603 4.740 -0.006 0.000 0.249 326 N C -0.792 174.745 175.510 0.046 0.000 1.103 326 N CA 0.396 53.471 53.050 0.041 0.000 0.707 326 N CB -1.046 37.459 38.487 0.030 0.000 1.043 326 N HN 0.456 nan 8.380 nan 0.000 0.553 327 L N 0.899 122.158 121.223 0.059 0.000 2.334 327 L HA 0.366 4.702 4.340 -0.006 0.000 0.273 327 L C 0.953 177.866 176.870 0.072 0.000 1.013 327 L CA -0.732 54.146 54.840 0.063 0.000 0.816 327 L CB 1.755 43.856 42.059 0.071 0.000 1.278 327 L HN 0.112 nan 8.230 nan 0.000 0.431 328 S N 1.312 117.051 115.700 0.065 0.000 2.568 328 S HA 0.126 4.592 4.470 -0.006 0.000 0.282 328 S C -1.913 172.740 174.600 0.089 0.000 1.338 328 S CA -0.843 57.397 58.200 0.066 0.000 1.045 328 S CB 0.725 63.957 63.200 0.054 0.000 0.873 328 S HN 0.437 nan 8.310 nan 0.000 0.516 329 P HA -0.114 nan 4.420 nan 0.000 0.216 329 P C 0.806 178.185 177.300 0.132 0.000 1.150 329 P CA 1.344 64.519 63.100 0.124 0.000 0.843 329 P CB -0.041 31.714 31.700 0.093 0.000 0.787 330 D N -1.007 119.450 120.400 0.095 0.000 2.104 330 D HA -0.153 4.483 4.640 -0.006 0.000 0.194 330 D C 1.956 178.308 176.300 0.086 0.000 0.994 330 D CA 1.011 55.063 54.000 0.086 0.000 0.830 330 D CB -0.649 40.188 40.800 0.061 0.000 0.959 330 D HN 0.051 nan 8.370 nan 0.000 0.452 331 I N 0.917 121.536 120.570 0.081 0.000 2.142 331 I HA -0.220 3.946 4.170 -0.006 0.000 0.240 331 I C 2.374 178.547 176.117 0.094 0.000 1.078 331 I CA 0.749 62.095 61.300 0.076 0.000 1.343 331 I CB -0.830 37.212 38.000 0.070 0.000 1.046 331 I HN 0.047 nan 8.210 nan 0.000 0.405 332 I N 0.693 121.339 120.570 0.126 0.000 2.091 332 I HA -0.337 3.830 4.170 -0.006 0.000 0.239 332 I C 2.677 178.881 176.117 0.146 0.000 1.061 332 I CA 1.682 63.083 61.300 0.168 0.000 1.317 332 I CB -1.455 36.689 38.000 0.240 0.000 1.031 332 I HN 0.310 nan 8.210 nan 0.000 0.401 333 Q N 1.053 120.959 119.800 0.177 0.000 2.077 333 Q HA -0.162 4.175 4.340 -0.006 0.000 0.206 333 Q C 2.155 178.152 176.000 -0.005 0.000 0.989 333 Q CA 2.538 58.412 55.803 0.117 0.000 0.853 333 Q CB -0.417 28.452 28.738 0.219 0.000 0.907 333 Q HN 0.506 nan 8.270 nan 0.000 0.418 334 A N -0.235 122.609 122.820 0.040 0.000 2.121 334 A HA -0.078 4.239 4.320 -0.006 0.000 0.218 334 A C 1.344 178.951 177.584 0.037 0.000 1.154 334 A CA 1.357 53.411 52.037 0.028 0.000 0.679 334 A CB -0.165 18.859 19.000 0.041 0.000 0.795 334 A HN 0.431 nan 8.150 nan 0.000 0.458 335 N N -0.379 118.348 118.700 0.045 0.000 2.200 335 N HA 0.157 4.893 4.740 -0.006 0.000 0.224 335 N C -0.741 174.836 175.510 0.112 0.000 1.179 335 N CA 0.237 53.352 53.050 0.107 0.000 0.877 335 N CB 0.791 39.338 38.487 0.099 0.000 1.072 335 N HN 0.291 nan 8.380 nan 0.000 0.519 336 S N 0.283 115.888 115.700 -0.158 0.000 2.661 336 S HA 0.630 5.097 4.470 -0.006 0.000 0.285 336 S C -1.134 172.806 174.600 -1.099 0.000 1.138 336 S CA -0.590 57.275 58.200 -0.558 0.000 0.855 336 S CB 2.614 65.555 63.200 -0.432 0.000 1.136 336 S HN 0.083 nan 8.310 nan 0.000 0.484 337 L N 1.956 122.361 121.223 -1.362 0.000 2.476 337 L HA 0.698 5.035 4.340 -0.006 0.000 0.269 337 L C -2.104 174.168 176.870 -0.998 0.000 0.965 337 L CA -0.244 53.803 54.840 -1.322 0.000 0.845 337 L CB 0.911 42.094 42.059 -1.461 0.000 1.259 337 L HN 0.573 nan 8.230 nan 0.000 0.403 338 F N 1.724 121.259 119.950 -0.691 0.000 2.507 338 F HA 0.738 5.261 4.527 -0.006 0.000 0.327 338 F C 0.368 175.666 175.800 -0.838 0.000 1.068 338 F CA -1.066 56.447 58.000 -0.811 0.000 0.965 338 F CB 2.186 40.494 39.000 -1.153 0.000 1.192 338 F HN 0.291 nan 8.300 nan 0.000 0.476 339 S N 1.845 117.122 115.700 -0.705 0.000 2.605 339 S HA 0.750 5.217 4.470 -0.006 0.000 0.308 339 S C -1.519 172.578 174.600 -0.838 0.000 1.113 339 S CA -0.441 57.300 58.200 -0.765 0.000 1.049 339 S CB 0.478 63.072 63.200 -1.011 0.000 1.001 339 S HN 0.322 nan 8.310 nan 0.000 0.480 340 F N 2.295 122.176 119.950 -0.116 0.000 2.540 340 F HA 0.500 5.023 4.527 -0.006 0.000 0.317 340 F C -0.645 175.262 175.800 0.180 0.000 1.104 340 F CA -1.030 56.928 58.000 -0.070 0.000 0.913 340 F CB 1.252 40.075 39.000 -0.295 0.000 1.170 340 F HN 0.520 nan 8.300 nan 0.000 0.450 341 Y N 2.131 122.596 120.300 0.275 0.000 2.535 341 Y HA 0.517 5.063 4.550 -0.007 0.000 0.341 341 Y C 0.488 176.379 175.900 -0.015 0.000 1.041 341 Y CA -0.254 57.895 58.100 0.082 0.000 1.307 341 Y CB 0.930 39.324 38.460 -0.110 0.000 1.095 341 Y HN 0.870 nan 8.280 nan 0.000 0.534 342 G N 3.905 112.772 108.800 0.111 0.000 2.602 342 G HA2 -0.439 3.517 3.960 -0.006 0.000 0.310 342 G HA3 -0.439 3.517 3.960 -0.006 0.000 0.310 342 G C 0.894 175.660 174.900 -0.224 0.000 1.183 342 G CA 0.889 45.981 45.100 -0.013 0.000 0.979 342 G HN 0.673 nan 8.290 nan 0.000 0.545 343 D N 1.325 121.457 120.400 -0.445 0.000 2.347 343 D HA 0.118 4.754 4.640 -0.006 0.000 0.213 343 D C 0.647 176.870 176.300 -0.128 0.000 0.985 343 D CA 0.995 54.482 54.000 -0.855 0.000 0.879 343 D CB -0.231 40.193 40.800 -0.628 0.000 0.919 343 D HN 0.370 nan 8.370 nan 0.000 0.526 344 D N 1.058 121.475 120.400 0.028 0.000 2.345 344 D HA 0.184 4.821 4.640 -0.006 0.000 0.247 344 D C -0.070 176.417 176.300 0.313 0.000 1.108 344 D CA -0.051 54.028 54.000 0.131 0.000 0.894 344 D CB 0.940 41.701 40.800 -0.065 0.000 1.203 344 D HN 0.440 nan 8.370 nan 0.000 0.430 345 E N 2.120 122.516 120.200 0.326 0.000 2.408 345 E HA 0.577 4.923 4.350 -0.006 0.000 0.275 345 E C -1.177 175.433 176.600 0.017 0.000 0.935 345 E CA -0.873 55.640 56.400 0.188 0.000 0.775 345 E CB 1.284 31.123 29.700 0.233 0.000 1.277 345 E HN 0.321 nan 8.360 nan 0.000 0.455 346 I N 1.992 122.368 120.570 -0.323 0.000 2.478 346 I HA 0.271 4.437 4.170 -0.006 0.000 0.287 346 I C -1.114 174.779 176.117 -0.374 0.000 1.042 346 I CA -1.159 59.892 61.300 -0.415 0.000 1.067 346 I CB 2.195 39.767 38.000 -0.714 0.000 1.233 346 I HN 0.366 nan 8.210 nan 0.000 0.431 347 V N 5.134 124.798 119.914 -0.418 0.000 2.347 347 V HA 0.393 4.509 4.120 -0.006 0.000 0.280 347 V C 0.094 176.048 176.094 -0.232 0.000 1.021 347 V CA -0.275 61.819 62.300 -0.345 0.000 0.847 347 V CB 1.406 32.807 31.823 -0.703 0.000 0.990 347 V HN 0.730 nan 8.190 nan 0.000 0.444 348 S N 3.222 118.888 115.700 -0.057 0.000 2.509 348 S HA 0.801 5.268 4.470 -0.006 0.000 0.297 348 S C -0.102 174.361 174.600 -0.229 0.000 1.118 348 S CA -0.491 57.647 58.200 -0.103 0.000 1.074 348 S CB 1.964 65.204 63.200 0.067 0.000 1.038 348 S HN 0.835 nan 8.310 nan 0.000 0.498 349 T N 0.416 114.924 114.554 -0.078 0.000 2.853 349 T HA 0.319 4.665 4.350 -0.006 0.000 0.311 349 T C -0.803 174.041 174.700 0.240 0.000 1.307 349 T CA -0.534 61.614 62.100 0.079 0.000 1.019 349 T CB 1.465 70.427 68.868 0.157 0.000 1.264 349 T HN 0.425 nan 8.240 nan 0.000 0.497 350 D N 1.495 122.060 120.400 0.276 0.000 2.346 350 D HA 0.268 4.904 4.640 -0.006 0.000 0.206 350 D C 0.587 177.050 176.300 0.272 0.000 1.001 350 D CA 0.362 54.479 54.000 0.195 0.000 0.871 350 D CB 0.254 41.116 40.800 0.103 0.000 0.943 350 D HN 0.516 nan 8.370 nan 0.000 0.518 351 I N 1.664 122.387 120.570 0.255 0.000 2.396 351 I HA 0.009 4.176 4.170 -0.006 0.000 0.289 351 I C 0.791 177.000 176.117 0.154 0.000 1.056 351 I CA -0.368 61.047 61.300 0.192 0.000 1.365 351 I CB 0.771 38.854 38.000 0.138 0.000 1.407 351 I HN -0.336 nan 8.210 nan 0.000 0.509 352 K N 7.507 127.962 120.400 0.092 0.000 2.412 352 K HA 0.289 4.606 4.320 -0.006 0.000 0.284 352 K C -1.024 175.480 176.600 -0.161 0.000 1.046 352 K CA -0.052 56.125 56.287 -0.182 0.000 0.999 352 K CB 0.373 32.833 32.500 -0.067 0.000 0.941 352 K HN 0.516 nan 8.250 nan 0.000 0.474 353 L N 2.953 124.017 121.223 -0.264 0.000 2.331 353 L HA 0.299 4.635 4.340 -0.006 0.000 0.275 353 L C -0.079 176.702 176.870 -0.148 0.000 1.022 353 L CA -1.105 53.654 54.840 -0.136 0.000 0.812 353 L CB 1.461 43.474 42.059 -0.076 0.000 1.257 353 L HN 0.649 nan 8.230 nan 0.000 0.435 354 D N 2.623 122.965 120.400 -0.096 0.000 2.339 354 D HA 0.196 4.832 4.640 -0.006 0.000 0.241 354 D C -1.882 174.358 176.300 -0.100 0.000 1.183 354 D CA -1.852 52.095 54.000 -0.088 0.000 0.859 354 D CB 2.005 42.768 40.800 -0.061 0.000 1.067 354 D HN 0.185 nan 8.370 nan 0.000 0.484 355 P HA -0.102 nan 4.420 nan 0.000 0.217 355 P C 0.942 178.174 177.300 -0.114 0.000 1.150 355 P CA 1.023 64.046 63.100 -0.128 0.000 0.832 355 P CB 0.418 32.056 31.700 -0.102 0.000 0.787 356 E N 0.182 120.331 120.200 -0.085 0.000 2.072 356 E HA -0.151 4.196 4.350 -0.006 0.000 0.191 356 E C 1.904 178.458 176.600 -0.077 0.000 0.985 356 E CA 1.038 57.394 56.400 -0.073 0.000 0.801 356 E CB -0.376 29.292 29.700 -0.055 0.000 0.750 356 E HN 0.370 nan 8.360 nan 0.000 0.452 357 K N 0.697 121.053 120.400 -0.074 0.000 2.026 357 K HA -0.151 4.165 4.320 -0.006 0.000 0.208 357 K C 2.294 178.837 176.600 -0.095 0.000 1.048 357 K CA 0.847 57.091 56.287 -0.073 0.000 0.929 357 K CB -0.266 32.200 32.500 -0.057 0.000 0.713 357 K HN 0.003 nan 8.250 nan 0.000 0.439 358 L N 1.540 122.698 121.223 -0.108 0.000 2.012 358 L HA -0.183 4.153 4.340 -0.006 0.000 0.210 358 L C 2.042 178.826 176.870 -0.143 0.000 1.073 358 L CA 1.973 56.735 54.840 -0.130 0.000 0.748 358 L CB -0.855 41.103 42.059 -0.169 0.000 0.891 358 L HN 0.150 nan 8.230 nan 0.000 0.431 359 T N -0.127 114.345 114.554 -0.137 0.000 2.720 359 T HA -0.181 4.165 4.350 -0.006 0.000 0.268 359 T C 1.904 176.543 174.700 -0.100 0.000 1.037 359 T CA 1.425 63.459 62.100 -0.110 0.000 1.144 359 T CB -0.635 68.174 68.868 -0.098 0.000 0.864 359 T HN 0.525 nan 8.240 nan 0.000 0.444 360 A N 1.567 124.326 122.820 -0.103 0.000 1.898 360 A HA -0.083 4.233 4.320 -0.006 0.000 0.216 360 A C 2.208 179.700 177.584 -0.153 0.000 1.181 360 A CA 1.950 53.926 52.037 -0.101 0.000 0.620 360 A CB -0.492 18.459 19.000 -0.081 0.000 0.819 360 A HN 0.370 nan 8.150 nan 0.000 0.442 361 K N 0.233 120.511 120.400 -0.203 0.000 2.026 361 K HA -0.012 4.304 4.320 -0.006 0.000 0.208 361 K C 1.749 177.986 176.600 -0.604 0.000 1.048 361 K CA 1.497 57.569 56.287 -0.359 0.000 0.929 361 K CB -0.669 31.643 32.500 -0.312 0.000 0.713 361 K HN 0.448 nan 8.250 nan 0.000 0.439 362 L N 0.511 121.503 121.223 -0.386 0.000 2.012 362 L HA -0.225 4.112 4.340 -0.006 0.000 0.210 362 L C 2.416 179.184 176.870 -0.171 0.000 1.073 362 L CA 1.755 56.437 54.840 -0.263 0.000 0.748 362 L CB -0.419 41.644 42.059 0.007 0.000 0.891 362 L HN 0.188 nan 8.230 nan 0.000 0.431 363 K N -0.297 120.034 120.400 -0.115 0.000 2.097 363 K HA -0.231 4.086 4.320 -0.006 0.000 0.206 363 K C 2.050 178.604 176.600 -0.076 0.000 1.049 363 K CA 1.304 57.549 56.287 -0.069 0.000 0.933 363 K CB -0.127 32.342 32.500 -0.052 0.000 0.717 363 K HN 0.308 nan 8.250 nan 0.000 0.442 364 E N 0.253 120.380 120.200 -0.121 0.000 2.118 364 E HA -0.205 4.142 4.350 -0.006 0.000 0.195 364 E C 1.056 177.702 176.600 0.077 0.000 0.992 364 E CA 1.135 57.503 56.400 -0.053 0.000 0.804 364 E CB 0.043 29.691 29.700 -0.087 0.000 0.741 364 E HN 0.326 nan 8.360 nan 0.000 0.458 365 Y N -0.406 119.840 120.300 -0.089 0.000 2.632 365 Y HA 0.155 4.701 4.550 -0.006 0.000 0.301 365 Y C 1.776 177.570 175.900 -0.177 0.000 1.172 365 Y CA 0.727 58.747 58.100 -0.133 0.000 1.328 365 Y CB -0.332 38.033 38.460 -0.159 0.000 1.016 365 Y HN 0.277 nan 8.280 nan 0.000 0.529 366 G N -0.258 108.537 108.800 -0.009 0.000 2.176 366 G HA2 -0.284 3.672 3.960 -0.006 0.000 0.253 366 G HA3 -0.284 3.672 3.960 -0.006 0.000 0.253 366 G C 0.195 175.012 174.900 -0.138 0.000 0.979 366 G CA 0.168 45.216 45.100 -0.085 0.000 0.641 366 G HN 0.300 nan 8.290 nan 0.000 0.530 367 L N -0.143 120.995 121.223 -0.141 0.000 2.453 367 L HA 0.465 4.801 4.340 -0.006 0.000 0.261 367 L C 0.846 177.721 176.870 0.008 0.000 1.179 367 L CA -0.181 54.555 54.840 -0.173 0.000 0.813 367 L CB 0.595 42.489 42.059 -0.275 0.000 1.110 367 L HN -0.006 nan 8.230 nan 0.000 0.466 368 K N 2.507 122.985 120.400 0.130 0.000 2.606 368 K HA 0.302 4.618 4.320 -0.006 0.000 0.196 368 K C -2.507 174.257 176.600 0.274 0.000 1.048 368 K CA -1.634 54.748 56.287 0.158 0.000 1.017 368 K CB 0.764 33.311 32.500 0.079 0.000 1.413 368 K HN 0.276 nan 8.250 nan 0.000 0.568 369 P HA -0.053 nan 4.420 nan 0.000 0.267 369 P C -0.264 177.023 177.300 -0.022 0.000 1.205 369 P CA 0.255 63.367 63.100 0.020 0.000 0.765 369 P CB 0.777 32.487 31.700 0.017 0.000 0.828 370 T N 0.620 115.132 114.554 -0.071 0.000 2.848 370 T HA 0.372 4.719 4.350 -0.006 0.000 0.285 370 T C 0.177 174.847 174.700 -0.050 0.000 0.995 370 T CA -1.214 60.864 62.100 -0.036 0.000 0.970 370 T CB 0.769 69.632 68.868 -0.008 0.000 0.976 370 T HN 0.194 nan 8.240 nan 0.000 0.441 371 R N 4.376 124.855 120.500 -0.035 0.000 2.816 371 R HA 0.083 4.420 4.340 -0.006 0.000 0.344 371 R C -1.405 174.886 176.300 -0.017 0.000 1.065 371 R CA -0.994 55.091 56.100 -0.026 0.000 0.995 371 R CB -0.030 30.259 30.300 -0.018 0.000 0.984 371 R HN 0.588 nan 8.270 nan 0.000 0.435 372 P HA -0.189 nan 4.420 nan 0.000 0.227 372 P C -0.491 176.807 177.300 -0.004 0.000 1.145 372 P CA 1.190 64.283 63.100 -0.011 0.000 0.769 372 P CB 0.313 32.005 31.700 -0.012 0.000 0.769 373 D N -0.002 120.396 120.400 -0.003 0.000 2.685 373 D HA -0.014 4.623 4.640 -0.006 0.000 0.254 373 D C 1.781 178.082 176.300 0.001 0.000 1.414 373 D CA 0.269 54.268 54.000 -0.000 0.000 1.145 373 D CB -0.616 40.185 40.800 0.001 0.000 0.941 373 D HN -0.058 nan 8.370 nan 0.000 0.250 374 K N 0.242 120.642 120.400 -0.000 0.000 2.293 374 K HA 0.301 4.618 4.320 -0.006 0.000 0.198 374 K C -0.126 176.473 176.600 -0.001 0.000 1.066 374 K CA 0.656 56.943 56.287 0.000 0.000 1.070 374 K CB -0.998 31.502 32.500 -0.001 0.000 1.374 374 K HN 0.346 nan 8.250 nan 0.000 0.461 375 T N 0.531 115.083 114.554 -0.004 0.000 3.478 375 T HA 0.124 4.471 4.350 -0.006 0.000 0.436 375 T C -1.580 173.114 174.700 -0.008 0.000 1.554 375 T CA -0.502 61.595 62.100 -0.006 0.000 1.084 375 T CB 0.573 69.439 68.868 -0.003 0.000 1.531 375 T HN 0.494 nan 8.240 nan 0.000 0.452 376 E N -0.289 119.904 120.200 -0.011 0.000 2.567 376 E HA -0.110 4.237 4.350 -0.006 0.000 0.295 376 E C 0.042 176.632 176.600 -0.016 0.000 1.000 376 E CA 1.268 57.660 56.400 -0.013 0.000 0.878 376 E CB -1.338 28.355 29.700 -0.011 0.000 1.387 376 E HN 1.152 nan 8.360 nan 0.000 0.399 377 G N -0.174 108.613 108.800 -0.021 0.000 2.846 377 G HA2 0.740 4.696 3.960 -0.006 0.000 0.299 377 G HA3 0.740 4.696 3.960 -0.006 0.000 0.299 377 G C -2.800 172.079 174.900 -0.036 0.000 1.242 377 G CA -0.413 44.672 45.100 -0.026 0.000 0.800 377 G HN 0.009 nan 8.290 nan 0.000 0.538 378 P HA 0.403 nan 4.420 nan 0.000 0.276 378 P C 0.084 177.342 177.300 -0.069 0.000 1.252 378 P CA -0.473 62.590 63.100 -0.061 0.000 0.802 378 P CB 0.936 32.599 31.700 -0.062 0.000 1.035 379 L N 0.298 121.457 121.223 -0.106 0.000 2.554 379 L HA 0.013 4.350 4.340 -0.006 0.000 0.293 379 L C 0.405 177.224 176.870 -0.085 0.000 1.252 379 L CA 0.039 54.803 54.840 -0.127 0.000 0.862 379 L CB -0.204 41.694 42.059 -0.269 0.000 1.113 379 L HN 0.110 nan 8.230 nan 0.000 0.510 380 V N 4.695 124.589 119.914 -0.033 0.000 2.370 380 V HA 0.359 4.476 4.120 -0.006 0.000 0.279 380 V C 0.290 176.423 176.094 0.066 0.000 1.029 380 V CA -0.297 62.009 62.300 0.011 0.000 0.870 380 V CB 1.285 33.126 31.823 0.029 0.000 0.984 380 V HN 0.438 nan 8.190 nan 0.000 0.451 381 I N 3.898 124.510 120.570 0.070 0.000 2.359 381 I HA 0.497 4.664 4.170 -0.006 0.000 0.294 381 I C 0.331 176.554 176.117 0.178 0.000 0.987 381 I CA 0.127 61.520 61.300 0.155 0.000 1.225 381 I CB 1.801 39.856 38.000 0.092 0.000 1.366 381 I HN 0.642 nan 8.210 nan 0.000 0.466 382 S N 3.652 119.496 115.700 0.239 0.000 2.600 382 S HA 0.375 4.842 4.470 -0.006 0.000 0.300 382 S C 0.327 175.113 174.600 0.309 0.000 1.087 382 S CA -0.565 57.772 58.200 0.229 0.000 0.965 382 S CB 1.663 64.971 63.200 0.180 0.000 1.089 382 S HN 0.682 nan 8.310 nan 0.000 0.496 383 E N 0.695 121.046 120.200 0.252 0.000 2.474 383 E HA 0.150 4.497 4.350 -0.006 0.000 0.195 383 E C -0.921 175.839 176.600 0.267 0.000 1.039 383 E CA 0.035 56.570 56.400 0.225 0.000 0.881 383 E CB 0.396 30.160 29.700 0.108 0.000 0.970 383 E HN 0.441 nan 8.360 nan 0.000 0.486 384 D N 0.666 121.202 120.400 0.227 0.000 2.408 384 D HA 0.082 4.718 4.640 -0.006 0.000 0.243 384 D C 0.192 176.502 176.300 0.017 0.000 1.075 384 D CA -0.441 53.641 54.000 0.136 0.000 0.832 384 D CB 1.908 42.767 40.800 0.098 0.000 1.162 384 D HN -0.037 nan 8.370 nan 0.000 0.515 385 L N 4.409 125.508 121.223 -0.206 0.000 2.240 385 L HA 0.165 4.502 4.340 -0.006 0.000 0.211 385 L C 0.725 177.562 176.870 -0.055 0.000 1.106 385 L CA 0.653 55.234 54.840 -0.432 0.000 0.793 385 L CB -0.402 41.111 42.059 -0.910 0.000 0.927 385 L HN 0.417 nan 8.230 nan 0.000 0.446 386 N N 0.753 119.566 118.700 0.189 0.000 2.315 386 N HA 0.012 4.748 4.740 -0.006 0.000 0.270 386 N C 0.996 176.494 175.510 -0.021 0.000 1.329 386 N CA 1.363 54.471 53.050 0.097 0.000 0.860 386 N CB 0.241 38.721 38.487 -0.012 0.000 1.095 386 N HN 0.595 nan 8.380 nan 0.000 0.487 387 G N 2.361 111.115 108.800 -0.076 0.000 2.218 387 G HA2 -0.234 3.722 3.960 -0.006 0.000 0.216 387 G HA3 -0.234 3.722 3.960 -0.006 0.000 0.216 387 G C 0.043 174.886 174.900 -0.095 0.000 0.994 387 G CA -0.254 44.794 45.100 -0.086 0.000 0.637 387 G HN 0.496 nan 8.290 nan 0.000 0.505 388 L N 1.540 122.690 121.223 -0.121 0.000 2.476 388 L HA 0.654 4.991 4.340 -0.006 0.000 0.255 388 L C 0.904 177.674 176.870 -0.166 0.000 1.218 388 L CA 0.678 55.440 54.840 -0.131 0.000 0.819 388 L CB 0.911 42.872 42.059 -0.164 0.000 1.119 388 L HN 0.132 nan 8.230 nan 0.000 0.485 389 T N 1.208 115.696 114.554 -0.111 0.000 2.876 389 T HA 0.637 4.983 4.350 -0.006 0.000 0.289 389 T C -1.405 173.316 174.700 0.036 0.000 1.014 389 T CA -0.267 61.788 62.100 -0.075 0.000 0.986 389 T CB 1.090 69.927 68.868 -0.052 0.000 1.021 389 T HN 0.274 nan 8.240 nan 0.000 0.458 390 F N 3.157 123.002 119.950 -0.176 0.000 2.639 390 F HA 0.384 4.908 4.527 -0.006 0.000 0.326 390 F C -0.396 175.356 175.800 -0.081 0.000 1.150 390 F CA -1.233 56.695 58.000 -0.120 0.000 1.057 390 F CB 0.791 39.721 39.000 -0.116 0.000 1.300 390 F HN 0.543 nan 8.300 nan 0.000 0.486 391 L N 6.517 127.284 121.223 -0.760 0.000 3.678 391 L HA -0.360 3.976 4.340 -0.006 0.000 0.425 391 L C 0.758 177.465 176.870 -0.273 0.000 1.240 391 L CA 1.111 55.614 54.840 -0.562 0.000 0.876 391 L CB -1.468 40.275 42.059 -0.527 0.000 1.766 391 L HN 0.909 nan 8.230 nan 0.000 0.917 392 R N -2.843 117.536 120.500 -0.201 0.000 3.951 392 R HA -0.150 4.186 4.340 -0.006 0.000 0.352 392 R C 0.297 176.556 176.300 -0.069 0.000 1.178 392 R CA 1.513 57.549 56.100 -0.108 0.000 0.949 392 R CB -1.083 29.164 30.300 -0.088 0.000 1.452 392 R HN 0.554 nan 8.270 nan 0.000 0.540 393 R N 0.410 120.865 120.500 -0.076 0.000 2.637 393 R HA 0.338 4.674 4.340 -0.006 0.000 0.291 393 R C -0.372 175.854 176.300 -0.124 0.000 0.963 393 R CA -0.709 55.351 56.100 -0.067 0.000 0.901 393 R CB 1.788 32.071 30.300 -0.028 0.000 1.160 393 R HN -0.103 nan 8.270 nan 0.000 0.457 394 T N 2.331 116.794 114.554 -0.152 0.000 2.737 394 T HA 0.118 4.464 4.350 -0.006 0.000 0.296 394 T C 0.334 174.832 174.700 -0.337 0.000 0.922 394 T CA -0.432 61.544 62.100 -0.207 0.000 1.079 394 T CB 0.819 69.589 68.868 -0.163 0.000 0.892 394 T HN 0.163 nan 8.240 nan 0.000 0.514 395 V N 5.397 125.066 119.914 -0.408 0.000 2.479 395 V HA 0.249 4.365 4.120 -0.006 0.000 0.281 395 V C 0.626 176.542 176.094 -0.297 0.000 1.031 395 V CA 0.059 62.010 62.300 -0.581 0.000 1.038 395 V CB 0.318 31.665 31.823 -0.794 0.000 0.981 395 V HN 0.977 nan 8.190 nan 0.000 0.478 396 T N 5.394 119.751 114.554 -0.328 0.000 2.881 396 T HA 0.487 4.833 4.350 -0.006 0.000 0.290 396 T C -0.435 174.040 174.700 -0.376 0.000 1.000 396 T CA -0.722 61.128 62.100 -0.417 0.000 0.978 396 T CB 1.735 70.109 68.868 -0.823 0.000 0.997 396 T HN 0.520 nan 8.240 nan 0.000 0.443 397 R N 3.252 123.371 120.500 -0.635 0.000 2.229 397 R HA 0.488 4.824 4.340 -0.006 0.000 0.332 397 R C -0.681 175.425 176.300 -0.324 0.000 0.989 397 R CA -0.847 54.689 56.100 -0.939 0.000 0.842 397 R CB -0.045 29.354 30.300 -1.503 0.000 1.119 397 R HN 0.804 nan 8.270 nan 0.000 0.456 398 D N 3.552 123.916 120.400 -0.059 0.000 2.449 398 D HA 0.397 5.033 4.640 -0.006 0.000 0.250 398 D C -1.934 174.340 176.300 -0.044 0.000 1.050 398 D CA -2.245 51.769 54.000 0.024 0.000 1.024 398 D CB 0.795 41.699 40.800 0.172 0.000 1.218 398 D HN 0.230 nan 8.370 nan 0.000 0.566 399 P HA 0.051 nan 4.420 nan 0.000 0.226 399 P C 0.615 177.932 177.300 0.028 0.000 1.146 399 P CA 1.432 64.529 63.100 -0.006 0.000 0.773 399 P CB 0.095 31.800 31.700 0.009 0.000 0.772 400 A N -1.608 121.255 122.820 0.072 0.000 2.220 400 A HA 0.571 4.887 4.320 -0.006 0.000 0.211 400 A C 1.129 178.793 177.584 0.134 0.000 1.176 400 A CA 0.887 53.010 52.037 0.143 0.000 0.834 400 A CB -0.143 19.058 19.000 0.336 0.000 0.868 400 A HN 0.314 nan 8.150 nan 0.000 0.488 401 G N -2.281 106.556 108.800 0.061 0.000 2.320 401 G HA2 0.215 4.171 3.960 -0.006 0.000 0.274 401 G HA3 0.215 4.171 3.960 -0.006 0.000 0.274 401 G C -1.670 173.268 174.900 0.064 0.000 1.324 401 G CA -0.718 44.443 45.100 0.102 0.000 0.957 401 G HN 0.324 nan 8.290 nan 0.000 0.481 402 W N 0.362 121.810 121.300 0.246 0.000 2.512 402 W HA 0.795 5.451 4.660 -0.006 0.000 0.335 402 W C 0.098 176.895 176.519 0.464 0.000 1.088 402 W CA -0.243 57.295 57.345 0.321 0.000 1.236 402 W CB 1.576 31.203 29.460 0.279 0.000 1.307 402 W HN 0.720 nan 8.180 nan 0.000 0.567 403 F N 0.047 120.241 119.950 0.406 0.000 2.817 403 F HA 0.865 5.388 4.527 -0.006 0.000 0.317 403 F C -0.659 175.304 175.800 0.271 0.000 1.168 403 F CA -2.222 55.955 58.000 0.295 0.000 0.911 403 F CB 0.701 39.730 39.000 0.048 0.000 1.337 403 F HN 0.472 nan 8.300 nan 0.000 0.464 404 G N 1.461 110.325 108.800 0.106 0.000 2.544 404 G HA2 0.609 4.566 3.960 -0.006 0.000 0.313 404 G HA3 0.609 4.566 3.960 -0.006 0.000 0.313 404 G C -1.893 172.951 174.900 -0.093 0.000 1.316 404 G CA -1.039 44.015 45.100 -0.077 0.000 0.944 404 G HN 0.662 nan 8.290 nan 0.000 0.489 405 K N 1.536 121.800 120.400 -0.226 0.000 2.221 405 K HA 0.427 4.743 4.320 -0.006 0.000 0.258 405 K C -0.672 175.932 176.600 0.006 0.000 0.944 405 K CA -0.837 55.388 56.287 -0.104 0.000 0.823 405 K CB 2.523 34.823 32.500 -0.333 0.000 1.113 405 K HN 0.271 nan 8.250 nan 0.000 0.431 406 L N 2.400 123.706 121.223 0.139 0.000 2.452 406 L HA 0.066 4.403 4.340 -0.006 0.000 0.267 406 L C 0.123 177.098 176.870 0.176 0.000 1.188 406 L CA 0.441 55.365 54.840 0.141 0.000 0.821 406 L CB 0.485 42.650 42.059 0.177 0.000 1.102 406 L HN 0.538 nan 8.230 nan 0.000 0.470 407 E N 2.166 122.402 120.200 0.061 0.000 2.414 407 E HA -0.063 4.284 4.350 -0.006 0.000 0.263 407 E C 0.629 177.170 176.600 -0.098 0.000 1.000 407 E CA 0.172 56.568 56.400 -0.007 0.000 0.914 407 E CB 0.463 30.139 29.700 -0.040 0.000 0.948 407 E HN 0.555 nan 8.360 nan 0.000 0.444 408 Q N 1.264 120.867 119.800 -0.329 0.000 2.096 408 Q HA -0.215 4.122 4.340 -0.006 0.000 0.204 408 Q C 2.209 178.142 176.000 -0.111 0.000 0.982 408 Q CA 1.968 57.438 55.803 -0.555 0.000 0.850 408 Q CB -0.060 28.130 28.738 -0.914 0.000 0.901 408 Q HN 0.648 nan 8.270 nan 0.000 0.422 409 S N -0.380 115.262 115.700 -0.096 0.000 2.383 409 S HA -0.159 4.307 4.470 -0.006 0.000 0.229 409 S C 2.042 176.610 174.600 -0.054 0.000 1.030 409 S CA 1.398 59.568 58.200 -0.051 0.000 1.002 409 S CB -0.325 62.817 63.200 -0.097 0.000 0.829 409 S HN 0.187 nan 8.310 nan 0.000 0.467 410 S N 1.226 116.890 115.700 -0.058 0.000 2.387 410 S HA 0.128 4.595 4.470 -0.006 0.000 0.226 410 S C 1.725 176.358 174.600 0.054 0.000 1.026 410 S CA 0.941 59.118 58.200 -0.038 0.000 0.972 410 S CB -0.533 62.654 63.200 -0.022 0.000 0.814 410 S HN 0.594 nan 8.310 nan 0.000 0.477 411 I N 0.991 121.630 120.570 0.115 0.000 2.233 411 I HA -0.135 4.031 4.170 -0.006 0.000 0.243 411 I C 2.162 178.365 176.117 0.144 0.000 1.093 411 I CA 0.862 62.266 61.300 0.174 0.000 1.380 411 I CB -0.326 37.860 38.000 0.311 0.000 1.067 411 I HN 0.261 nan 8.210 nan 0.000 0.413 412 L N 0.333 121.668 121.223 0.187 0.000 2.012 412 L HA -0.268 4.068 4.340 -0.006 0.000 0.210 412 L C 2.800 179.802 176.870 0.219 0.000 1.073 412 L CA 1.434 56.376 54.840 0.170 0.000 0.748 412 L CB -0.537 41.664 42.059 0.236 0.000 0.891 412 L HN 0.202 nan 8.230 nan 0.000 0.431 413 R N -0.109 120.514 120.500 0.204 0.000 2.113 413 R HA -0.265 4.071 4.340 -0.006 0.000 0.244 413 R C 2.230 178.730 176.300 0.334 0.000 1.142 413 R CA 2.058 58.323 56.100 0.275 0.000 0.953 413 R CB -0.175 30.189 30.300 0.106 0.000 0.860 413 R HN 0.462 nan 8.270 nan 0.000 0.438 414 Q N -0.989 118.933 119.800 0.204 0.000 2.436 414 Q HA -0.054 4.283 4.340 -0.006 0.000 0.209 414 Q C 1.814 177.865 176.000 0.085 0.000 0.965 414 Q CA 0.589 56.510 55.803 0.196 0.000 0.910 414 Q CB 0.209 29.040 28.738 0.156 0.000 0.980 414 Q HN 0.317 nan 8.270 nan 0.000 0.491 415 M N -1.089 118.469 119.600 -0.070 0.000 2.175 415 M HA -0.120 4.356 4.480 -0.006 0.000 0.264 415 M C 1.024 177.065 176.300 -0.431 0.000 1.063 415 M CA 1.593 56.681 55.300 -0.354 0.000 1.119 415 M CB -0.566 31.640 32.600 -0.656 0.000 1.377 415 M HN 0.237 nan 8.290 nan 0.000 0.415 416 Y N -2.709 117.545 120.300 -0.077 0.000 2.500 416 Y HA 0.055 4.601 4.550 -0.006 0.000 0.270 416 Y C 0.003 175.633 175.900 -0.450 0.000 1.134 416 Y CA -0.331 57.588 58.100 -0.302 0.000 1.293 416 Y CB 0.076 38.287 38.460 -0.414 0.000 1.063 416 Y HN 0.104 nan 8.280 nan 0.000 0.534 417 W N -0.747 120.691 121.300 0.230 0.000 2.839 417 W HA 0.531 5.187 4.660 -0.007 0.000 0.334 417 W C -0.124 176.577 176.519 0.303 0.000 1.064 417 W CA -0.886 56.635 57.345 0.293 0.000 1.236 417 W CB 1.699 31.327 29.460 0.280 0.000 1.405 417 W HN -0.458 nan 8.180 nan 0.000 0.478 418 T N 1.827 116.740 114.554 0.598 0.000 2.926 418 T HA 0.638 4.984 4.350 -0.006 0.000 0.289 418 T C -0.596 174.379 174.700 0.458 0.000 1.054 418 T CA -0.780 61.584 62.100 0.441 0.000 1.015 418 T CB 1.025 70.062 68.868 0.281 0.000 1.167 418 T HN 0.422 nan 8.240 nan 0.000 0.526 419 R N 0.892 121.554 120.500 0.270 0.000 2.312 419 R HA 0.664 5.000 4.340 -0.006 0.000 0.311 419 R C 0.361 176.632 176.300 -0.049 0.000 1.004 419 R CA -0.428 55.705 56.100 0.056 0.000 0.902 419 R CB 1.529 31.787 30.300 -0.070 0.000 1.073 419 R HN 0.812 nan 8.270 nan 0.000 0.457 420 G N 2.650 111.447 108.800 -0.004 0.000 2.947 420 G HA2 0.457 4.413 3.960 -0.006 0.000 0.293 420 G HA3 0.457 4.413 3.960 -0.006 0.000 0.293 420 G C -2.748 172.166 174.900 0.023 0.000 1.243 420 G CA -1.007 43.956 45.100 -0.229 0.000 0.802 420 G HN 0.313 nan 8.290 nan 0.000 0.560 421 P HA 0.128 nan 4.420 nan 0.000 0.268 421 P C -0.261 177.261 177.300 0.370 0.000 1.208 421 P CA -0.082 63.123 63.100 0.174 0.000 0.777 421 P CB 0.314 32.107 31.700 0.154 0.000 0.875 422 N N 1.217 120.049 118.700 0.220 0.000 2.412 422 N HA 0.102 4.839 4.740 -0.006 0.000 0.254 422 N C 0.200 175.867 175.510 0.263 0.000 1.232 422 N CA 0.368 53.543 53.050 0.208 0.000 0.880 422 N CB -0.028 38.522 38.487 0.105 0.000 1.076 422 N HN 0.666 nan 8.380 nan 0.000 0.458 423 H N -1.530 117.500 119.070 -0.067 0.000 2.933 423 H HA 0.343 4.896 4.556 -0.006 0.000 0.310 423 H C -0.492 174.716 175.328 -0.200 0.000 1.351 423 H CA -0.924 55.024 56.048 -0.167 0.000 1.137 423 H CB 1.404 30.919 29.762 -0.412 0.000 1.853 423 H HN 0.365 nan 8.280 nan 0.000 0.539 424 E N -0.717 119.301 120.200 -0.304 0.000 2.413 424 E HA -0.002 4.345 4.350 -0.006 0.000 0.203 424 E C -0.453 175.918 176.600 -0.380 0.000 0.957 424 E CA 0.100 56.326 56.400 -0.290 0.000 0.950 424 E CB 0.716 30.324 29.700 -0.152 0.000 0.957 424 E HN 0.380 nan 8.360 nan 0.000 0.497 425 D N 0.703 120.810 120.400 -0.489 0.000 2.454 425 D HA 0.118 4.754 4.640 -0.006 0.000 0.225 425 D C -2.022 173.946 176.300 -0.552 0.000 1.081 425 D CA -2.549 51.231 54.000 -0.365 0.000 0.864 425 D CB 1.435 42.133 40.800 -0.171 0.000 1.040 425 D HN -0.198 nan 8.370 nan 0.000 0.517 426 P HA -0.168 nan 4.420 nan 0.000 0.218 426 P C 1.438 178.855 177.300 0.195 0.000 1.148 426 P CA 1.078 64.095 63.100 -0.138 0.000 0.822 426 P CB 0.147 31.852 31.700 0.008 0.000 0.784 427 S N -1.056 114.724 115.700 0.134 0.000 2.440 427 S HA -0.170 4.296 4.470 -0.006 0.000 0.238 427 S C 0.806 175.506 174.600 0.167 0.000 1.010 427 S CA 0.602 58.897 58.200 0.158 0.000 0.972 427 S CB -1.160 62.099 63.200 0.099 0.000 0.774 427 S HN 0.228 nan 8.310 nan 0.000 0.501 428 E N 1.258 121.558 120.200 0.166 0.000 2.415 428 E HA 0.190 4.536 4.350 -0.006 0.000 0.262 428 E C -0.303 176.582 176.600 0.473 0.000 1.038 428 E CA 0.202 56.763 56.400 0.269 0.000 0.921 428 E CB 0.501 30.333 29.700 0.220 0.000 0.950 428 E HN 0.124 nan 8.360 nan 0.000 0.438 429 T N 2.470 117.288 114.554 0.440 0.000 2.902 429 T HA 0.513 4.859 4.350 -0.006 0.000 0.283 429 T C -0.636 174.275 174.700 0.351 0.000 1.009 429 T CA -0.497 61.814 62.100 0.353 0.000 1.051 429 T CB 0.581 69.557 68.868 0.180 0.000 0.999 429 T HN 0.325 nan 8.240 nan 0.000 0.474 430 M N 5.403 125.120 119.600 0.197 0.000 2.271 430 M HA 0.448 4.925 4.480 -0.006 0.000 0.285 430 M C -0.619 175.659 176.300 -0.037 0.000 1.059 430 M CA -1.095 54.175 55.300 -0.049 0.000 0.940 430 M CB 1.174 33.569 32.600 -0.342 0.000 1.636 430 M HN 0.551 nan 8.290 nan 0.000 0.460 431 I N 2.735 123.266 120.570 -0.065 0.000 2.779 431 I HA 0.483 4.650 4.170 -0.006 0.000 0.285 431 I C -2.560 173.517 176.117 -0.065 0.000 1.134 431 I CA -1.934 59.333 61.300 -0.054 0.000 1.398 431 I CB -0.631 37.342 38.000 -0.044 0.000 1.404 431 I HN 0.464 nan 8.210 nan 0.000 0.587 432 P HA 0.167 nan 4.420 nan 0.000 0.267 432 P C -0.688 176.537 177.300 -0.125 0.000 1.205 432 P CA 0.371 63.380 63.100 -0.152 0.000 0.765 432 P CB 0.184 31.783 31.700 -0.169 0.000 0.828 433 H N -0.242 118.787 119.070 -0.068 0.000 2.136 433 H HA 0.256 4.809 4.556 -0.007 0.000 0.311 433 H C 1.470 176.784 175.328 -0.022 0.000 1.737 433 H CA -0.112 55.899 56.048 -0.061 0.000 1.439 433 H CB -0.528 29.186 29.762 -0.081 0.000 1.733 433 H HN 0.286 nan 8.280 nan 0.000 0.637 434 S N -1.663 114.140 115.700 0.171 0.000 2.436 434 S HA -0.129 4.338 4.470 -0.006 0.000 0.228 434 S C 1.419 176.074 174.600 0.092 0.000 1.014 434 S CA 0.550 58.810 58.200 0.099 0.000 0.950 434 S CB -0.183 63.076 63.200 0.098 0.000 0.784 434 S HN 0.651 nan 8.310 nan 0.000 0.504 435 Q N 0.381 120.319 119.800 0.229 0.000 2.408 435 Q HA 0.256 4.592 4.340 -0.006 0.000 0.205 435 Q C 1.962 177.932 176.000 -0.050 0.000 0.919 435 Q CA 0.249 56.151 55.803 0.164 0.000 0.932 435 Q CB -0.153 28.774 28.738 0.315 0.000 1.058 435 Q HN 0.502 nan 8.270 nan 0.000 0.517 436 R N 1.891 122.059 120.500 -0.553 0.000 2.075 436 R HA -0.050 4.286 4.340 -0.006 0.000 0.232 436 R C -0.891 175.287 176.300 -0.203 0.000 1.126 436 R CA 1.322 57.135 56.100 -0.479 0.000 0.963 436 R CB -1.221 28.640 30.300 -0.733 0.000 0.858 436 R HN 0.144 nan 8.270 nan 0.000 0.435 437 P HA -0.079 nan 4.420 nan 0.000 0.218 437 P C 1.008 178.380 177.300 0.120 0.000 1.149 437 P CA 1.253 64.354 63.100 0.001 0.000 0.817 437 P CB -0.047 31.735 31.700 0.137 0.000 0.785 438 I N -0.584 120.048 120.570 0.104 0.000 2.142 438 I HA -0.270 3.897 4.170 -0.006 0.000 0.240 438 I C 2.713 178.895 176.117 0.109 0.000 1.078 438 I CA 1.546 62.925 61.300 0.132 0.000 1.343 438 I CB -0.842 37.228 38.000 0.116 0.000 1.046 438 I HN 0.022 nan 8.210 nan 0.000 0.405 439 Q N 0.802 120.643 119.800 0.069 0.000 2.077 439 Q HA -0.248 4.089 4.340 -0.006 0.000 0.206 439 Q C 2.335 178.358 176.000 0.038 0.000 0.989 439 Q CA 1.729 57.573 55.803 0.069 0.000 0.853 439 Q CB 0.024 28.805 28.738 0.071 0.000 0.907 439 Q HN 0.325 nan 8.270 nan 0.000 0.418 440 L N 0.134 121.335 121.223 -0.037 0.000 2.083 440 L HA -0.176 4.160 4.340 -0.006 0.000 0.209 440 L C 2.345 179.192 176.870 -0.039 0.000 1.083 440 L CA 1.561 56.322 54.840 -0.131 0.000 0.752 440 L CB -0.941 40.901 42.059 -0.361 0.000 0.899 440 L HN 0.393 nan 8.230 nan 0.000 0.433 441 M N -0.987 118.684 119.600 0.117 0.000 2.086 441 M HA -0.160 4.317 4.480 -0.006 0.000 0.261 441 M C 2.437 178.869 176.300 0.220 0.000 1.067 441 M CA 1.622 57.087 55.300 0.274 0.000 1.116 441 M CB -0.517 32.301 32.600 0.363 0.000 1.348 441 M HN 0.113 nan 8.290 nan 0.000 0.407 442 S N 0.309 116.111 115.700 0.170 0.000 2.370 442 S HA -0.117 4.349 4.470 -0.006 0.000 0.226 442 S C 1.834 176.527 174.600 0.156 0.000 1.033 442 S CA 1.567 59.861 58.200 0.158 0.000 1.011 442 S CB -0.595 62.690 63.200 0.140 0.000 0.852 442 S HN 0.531 nan 8.310 nan 0.000 0.457 443 L N 0.788 122.084 121.223 0.123 0.000 2.141 443 L HA -0.048 4.288 4.340 -0.006 0.000 0.209 443 L C 2.179 179.129 176.870 0.134 0.000 1.094 443 L CA 0.806 55.716 54.840 0.115 0.000 0.763 443 L CB -0.442 41.644 42.059 0.046 0.000 0.908 443 L HN 0.272 nan 8.230 nan 0.000 0.437 444 L N -0.725 120.572 121.223 0.123 0.000 2.056 444 L HA -0.121 4.215 4.340 -0.006 0.000 0.207 444 L C 2.662 179.773 176.870 0.403 0.000 1.078 444 L CA 1.350 56.303 54.840 0.187 0.000 0.749 444 L CB -1.059 41.104 42.059 0.174 0.000 0.901 444 L HN 0.319 nan 8.230 nan 0.000 0.433 445 G N -0.538 108.464 108.800 0.336 0.000 2.459 445 G HA2 -0.258 3.698 3.960 -0.006 0.000 0.217 445 G HA3 -0.258 3.698 3.960 -0.006 0.000 0.217 445 G C 1.423 176.471 174.900 0.245 0.000 1.183 445 G CA 0.537 45.809 45.100 0.287 0.000 0.776 445 G HN 0.270 nan 8.290 nan 0.000 0.552 446 E N 0.972 121.318 120.200 0.244 0.000 2.058 446 E HA -0.149 4.198 4.350 -0.006 0.000 0.194 446 E C 2.985 179.858 176.600 0.455 0.000 0.997 446 E CA 1.184 57.765 56.400 0.303 0.000 0.801 446 E CB -0.783 29.090 29.700 0.289 0.000 0.746 446 E HN 0.360 nan 8.360 nan 0.000 0.450 447 A N 1.683 124.801 122.820 0.496 0.000 1.908 447 A HA -0.160 4.156 4.320 -0.006 0.000 0.218 447 A C 2.471 180.481 177.584 0.711 0.000 1.181 447 A CA 2.373 54.823 52.037 0.689 0.000 0.627 447 A CB -0.729 18.456 19.000 0.309 0.000 0.818 447 A HN 0.284 nan 8.150 nan 0.000 0.445 448 A N -0.324 122.856 122.820 0.599 0.000 1.986 448 A HA -0.131 4.186 4.320 -0.006 0.000 0.220 448 A C 2.036 179.907 177.584 0.477 0.000 1.171 448 A CA 1.628 53.909 52.037 0.407 0.000 0.640 448 A CB -0.639 18.482 19.000 0.202 0.000 0.811 448 A HN 0.521 nan 8.150 nan 0.000 0.451 449 L N -1.297 120.196 121.223 0.450 0.000 2.465 449 L HA -0.086 4.250 4.340 -0.006 0.000 0.224 449 L C 1.780 178.828 176.870 0.297 0.000 1.145 449 L CA 0.562 55.659 54.840 0.428 0.000 0.834 449 L CB -0.451 41.769 42.059 0.267 0.000 0.944 449 L HN 0.497 nan 8.230 nan 0.000 0.451 450 H N -0.234 119.047 119.070 0.351 0.000 2.539 450 H HA 0.245 4.798 4.556 -0.006 0.000 0.269 450 H C 1.124 176.570 175.328 0.197 0.000 0.980 450 H CA 0.717 56.898 56.048 0.222 0.000 1.152 450 H CB 0.567 30.390 29.762 0.101 0.000 1.407 450 H HN 0.350 nan 8.280 nan 0.000 0.564 451 G N 1.473 110.431 108.800 0.264 0.000 2.712 451 G HA2 -0.202 3.754 3.960 -0.006 0.000 0.683 451 G HA3 -0.202 3.754 3.960 -0.006 0.000 0.683 451 G C -1.822 173.191 174.900 0.188 0.000 1.320 451 G CA -0.351 44.811 45.100 0.103 0.000 0.847 451 G HN 0.007 nan 8.290 nan 0.000 0.553 452 P HA -0.047 nan 4.420 nan 0.000 0.217 452 P C 1.983 179.397 177.300 0.191 0.000 1.150 452 P CA 2.782 65.968 63.100 0.144 0.000 0.832 452 P CB -0.143 31.596 31.700 0.065 0.000 0.787 453 A N -0.917 122.004 122.820 0.168 0.000 1.897 453 A HA -0.139 4.177 4.320 -0.006 0.000 0.215 453 A C 2.120 179.825 177.584 0.202 0.000 1.181 453 A CA 1.049 53.178 52.037 0.153 0.000 0.620 453 A CB -1.675 17.402 19.000 0.127 0.000 0.821 453 A HN 0.101 nan 8.150 nan 0.000 0.443 454 F N -1.107 118.910 119.950 0.112 0.000 2.163 454 F HA -0.106 4.417 4.527 -0.006 0.000 0.297 454 F C 2.093 177.972 175.800 0.132 0.000 1.094 454 F CA 1.452 59.511 58.000 0.098 0.000 1.290 454 F CB -0.600 38.458 39.000 0.097 0.000 1.017 454 F HN 0.368 nan 8.300 nan 0.000 0.483 455 Y N 0.290 120.636 120.300 0.077 0.000 2.193 455 Y HA -0.265 4.281 4.550 -0.006 0.000 0.285 455 Y C 2.687 178.542 175.900 -0.076 0.000 1.166 455 Y CA 1.953 60.051 58.100 -0.003 0.000 1.181 455 Y CB -0.836 37.685 38.460 0.102 0.000 0.976 455 Y HN 0.060 nan 8.280 nan 0.000 0.520 456 S N -0.208 115.502 115.700 0.017 0.000 2.345 456 S HA -0.214 4.252 4.470 -0.006 0.000 0.220 456 S C 2.063 176.569 174.600 -0.156 0.000 1.031 456 S CA 1.459 59.623 58.200 -0.059 0.000 0.996 456 S CB -0.363 62.853 63.200 0.025 0.000 0.882 456 S HN 0.473 nan 8.310 nan 0.000 0.445 457 K N 0.644 120.947 120.400 -0.163 0.000 2.044 457 K HA -0.140 4.176 4.320 -0.006 0.000 0.210 457 K C 1.835 178.243 176.600 -0.320 0.000 1.049 457 K CA 1.507 57.670 56.287 -0.207 0.000 0.927 457 K CB -0.200 32.187 32.500 -0.189 0.000 0.713 457 K HN 0.240 nan 8.250 nan 0.000 0.443 458 I N 1.001 121.275 120.570 -0.492 0.000 2.286 458 I HA -0.170 3.996 4.170 -0.006 0.000 0.245 458 I C 2.309 178.181 176.117 -0.409 0.000 1.104 458 I CA 1.069 62.072 61.300 -0.496 0.000 1.397 458 I CB -1.299 36.347 38.000 -0.589 0.000 1.072 458 I HN 0.143 nan 8.210 nan 0.000 0.417 459 S N 1.026 116.461 115.700 -0.443 0.000 2.365 459 S HA -0.233 4.233 4.470 -0.006 0.000 0.225 459 S C 1.958 176.406 174.600 -0.253 0.000 1.039 459 S CA 1.561 59.537 58.200 -0.373 0.000 1.033 459 S CB -0.199 62.785 63.200 -0.359 0.000 0.887 459 S HN 0.432 nan 8.310 nan 0.000 0.447 460 K N 0.597 120.871 120.400 -0.211 0.000 2.097 460 K HA -0.030 4.286 4.320 -0.006 0.000 0.206 460 K C 2.041 178.537 176.600 -0.173 0.000 1.049 460 K CA 1.032 57.227 56.287 -0.154 0.000 0.933 460 K CB -0.342 32.089 32.500 -0.116 0.000 0.717 460 K HN 0.318 nan 8.250 nan 0.000 0.442 461 L N 0.372 121.462 121.223 -0.223 0.000 2.056 461 L HA -0.158 4.178 4.340 -0.006 0.000 0.207 461 L C 2.345 179.042 176.870 -0.288 0.000 1.078 461 L CA 0.734 55.420 54.840 -0.256 0.000 0.749 461 L CB -0.377 41.484 42.059 -0.329 0.000 0.901 461 L HN -0.031 nan 8.230 nan 0.000 0.433 462 V N 0.131 119.847 119.914 -0.330 0.000 2.358 462 V HA -0.276 3.841 4.120 -0.006 0.000 0.246 462 V C 2.293 178.167 176.094 -0.367 0.000 1.047 462 V CA 1.757 63.808 62.300 -0.415 0.000 1.035 462 V CB -0.220 31.278 31.823 -0.541 0.000 0.658 462 V HN 0.311 nan 8.190 nan 0.000 0.452 463 I N 0.155 120.572 120.570 -0.254 0.000 2.315 463 I HA -0.210 3.957 4.170 -0.006 0.000 0.248 463 I C 2.597 178.637 176.117 -0.129 0.000 1.117 463 I CA 1.340 62.551 61.300 -0.149 0.000 1.404 463 I CB -0.492 37.457 38.000 -0.086 0.000 1.071 463 I HN 0.299 nan 8.210 nan 0.000 0.419 464 A N 0.328 123.064 122.820 -0.140 0.000 1.873 464 A HA -0.245 4.071 4.320 -0.006 0.000 0.215 464 A C 2.316 179.832 177.584 -0.114 0.000 1.186 464 A CA 1.751 53.723 52.037 -0.108 0.000 0.616 464 A CB -0.606 18.333 19.000 -0.102 0.000 0.823 464 A HN 0.468 nan 8.150 nan 0.000 0.442 465 E N -0.064 120.042 120.200 -0.157 0.000 2.031 465 E HA -0.193 4.153 4.350 -0.006 0.000 0.193 465 E C 1.942 178.463 176.600 -0.132 0.000 0.994 465 E CA 1.428 57.738 56.400 -0.151 0.000 0.800 465 E CB -0.250 29.328 29.700 -0.203 0.000 0.752 465 E HN 0.584 nan 8.360 nan 0.000 0.447 466 L N 0.808 121.933 121.223 -0.164 0.000 2.083 466 L HA -0.156 4.181 4.340 -0.006 0.000 0.209 466 L C 2.824 179.653 176.870 -0.069 0.000 1.083 466 L CA 1.285 56.051 54.840 -0.125 0.000 0.752 466 L CB -0.398 41.573 42.059 -0.148 0.000 0.899 466 L HN 0.107 nan 8.230 nan 0.000 0.433 467 K N 0.498 120.860 120.400 -0.064 0.000 2.026 467 K HA -0.255 4.061 4.320 -0.006 0.000 0.208 467 K C 2.106 178.686 176.600 -0.034 0.000 1.048 467 K CA 1.687 57.952 56.287 -0.038 0.000 0.929 467 K CB -0.034 32.444 32.500 -0.036 0.000 0.713 467 K HN 0.282 nan 8.250 nan 0.000 0.439 468 E N -0.548 119.627 120.200 -0.042 0.000 2.130 468 E HA -0.159 4.187 4.350 -0.006 0.000 0.196 468 E C 1.425 178.008 176.600 -0.027 0.000 0.998 468 E CA 1.389 57.770 56.400 -0.032 0.000 0.806 468 E CB -0.207 29.472 29.700 -0.035 0.000 0.738 468 E HN 0.473 nan 8.360 nan 0.000 0.459 469 G N -0.785 107.992 108.800 -0.037 0.000 3.124 469 G HA2 0.173 4.130 3.960 -0.006 0.000 0.212 469 G HA3 0.173 4.130 3.960 -0.006 0.000 0.212 469 G C 0.898 175.784 174.900 -0.023 0.000 1.181 469 G CA 0.194 45.274 45.100 -0.033 0.000 0.803 469 G HN 0.494 nan 8.290 nan 0.000 0.529 470 G N -0.626 108.164 108.800 -0.017 0.000 2.147 470 G HA2 -0.270 3.687 3.960 -0.006 0.000 0.244 470 G HA3 -0.270 3.687 3.960 -0.006 0.000 0.244 470 G C 0.097 174.997 174.900 0.000 0.000 1.005 470 G CA 0.511 45.607 45.100 -0.007 0.000 0.713 470 G HN 0.468 nan 8.290 nan 0.000 0.515 471 M N -0.397 119.202 119.600 -0.001 0.000 2.518 471 M HA 0.485 4.961 4.480 -0.006 0.000 0.300 471 M C 0.304 176.620 176.300 0.025 0.000 1.175 471 M CA -0.393 54.918 55.300 0.018 0.000 0.890 471 M CB 1.812 34.424 32.600 0.019 0.000 1.710 471 M HN 0.136 nan 8.290 nan 0.000 0.453 472 D N 0.317 120.746 120.400 0.049 0.000 2.398 472 D HA 0.148 4.785 4.640 -0.006 0.000 0.210 472 D C 0.002 176.345 176.300 0.072 0.000 1.094 472 D CA -0.302 53.727 54.000 0.050 0.000 0.839 472 D CB 0.032 40.857 40.800 0.042 0.000 0.963 472 D HN 0.358 nan 8.370 nan 0.000 0.506 473 F N 2.170 122.022 119.950 -0.163 0.000 1.668 473 F HA -0.266 4.257 4.527 -0.006 0.000 0.290 473 F C -0.835 174.779 175.800 -0.311 0.000 0.546 473 F CA -0.060 57.672 58.000 -0.446 0.000 0.676 473 F CB 0.079 38.801 39.000 -0.463 0.000 0.773 473 F HN 0.141 nan 8.300 nan 0.000 0.615 474 Y N 4.780 124.690 120.300 -0.650 0.000 2.504 474 Y HA 0.603 5.150 4.550 -0.005 0.000 0.339 474 Y C -0.666 174.957 175.900 -0.462 0.000 0.974 474 Y CA -1.603 56.228 58.100 -0.449 0.000 1.232 474 Y CB 0.203 38.399 38.460 -0.440 0.000 1.108 474 Y HN 0.332 nan 8.280 nan 0.000 0.509 475 V N 6.038 125.940 119.914 -0.020 0.000 2.385 475 V HA 0.294 4.411 4.120 -0.006 0.000 0.269 475 V C -1.863 174.296 176.094 0.108 0.000 1.043 475 V CA -1.815 60.563 62.300 0.130 0.000 0.906 475 V CB 0.694 32.604 31.823 0.145 0.000 0.995 475 V HN 0.655 nan 8.190 nan 0.000 0.467 476 P HA 0.151 nan 4.420 nan 0.000 0.266 476 P C 0.245 177.620 177.300 0.126 0.000 1.195 476 P CA -0.296 62.800 63.100 -0.007 0.000 0.768 476 P CB 0.420 32.068 31.700 -0.087 0.000 0.838 477 R N 2.363 122.855 120.500 -0.012 0.000 2.619 477 R HA -0.113 4.223 4.340 -0.006 0.000 0.268 477 R C 1.599 177.859 176.300 -0.066 0.000 0.990 477 R CA 0.297 56.402 56.100 0.010 0.000 1.092 477 R CB 0.306 30.577 30.300 -0.049 0.000 0.935 477 R HN 0.582 nan 8.270 nan 0.000 0.415 478 Q N 2.825 122.532 119.800 -0.156 0.000 2.124 478 Q HA -0.224 4.113 4.340 -0.006 0.000 0.202 478 Q C 0.797 176.658 176.000 -0.232 0.000 0.977 478 Q CA 2.040 57.501 55.803 -0.570 0.000 0.850 478 Q CB 0.232 28.726 28.738 -0.407 0.000 0.901 478 Q HN 0.612 nan 8.270 nan 0.000 0.429 479 E N 0.088 120.246 120.200 -0.070 0.000 2.047 479 E HA -0.113 4.234 4.350 -0.006 0.000 0.191 479 E C -0.904 175.782 176.600 0.144 0.000 0.987 479 E CA 1.565 57.989 56.400 0.040 0.000 0.799 479 E CB -0.799 28.917 29.700 0.026 0.000 0.752 479 E HN 0.428 nan 8.360 nan 0.000 0.449 480 P HA -0.128 nan 4.420 nan 0.000 0.218 480 P C 1.272 178.815 177.300 0.404 0.000 1.149 480 P CA 0.998 64.238 63.100 0.234 0.000 0.817 480 P CB 0.075 31.832 31.700 0.095 0.000 0.785 481 M N -1.298 118.475 119.600 0.289 0.000 2.117 481 M HA -0.122 4.354 4.480 -0.006 0.000 0.262 481 M C 1.898 178.373 176.300 0.291 0.000 1.065 481 M CA 1.776 57.309 55.300 0.389 0.000 1.114 481 M CB -1.373 31.326 32.600 0.166 0.000 1.361 481 M HN -0.166 nan 8.290 nan 0.000 0.408 482 F N 0.253 120.231 119.950 0.047 0.000 2.146 482 F HA -0.115 4.409 4.527 -0.005 0.000 0.298 482 F C 2.135 177.952 175.800 0.028 0.000 1.096 482 F CA 1.681 59.678 58.000 -0.005 0.000 1.275 482 F CB -0.313 38.660 39.000 -0.045 0.000 1.008 482 F HN 0.070 nan 8.300 nan 0.000 0.480 483 R N -0.263 120.394 120.500 0.261 0.000 2.096 483 R HA -0.242 4.094 4.340 -0.006 0.000 0.235 483 R C 2.354 178.769 176.300 0.190 0.000 1.127 483 R CA 1.774 58.044 56.100 0.283 0.000 0.968 483 R CB -1.165 29.354 30.300 0.365 0.000 0.861 483 R HN 0.612 nan 8.270 nan 0.000 0.440 484 W N 1.093 122.415 121.300 0.036 0.000 2.333 484 W HA -0.226 4.431 4.660 -0.006 0.000 0.316 484 W C 1.484 177.878 176.519 -0.209 0.000 1.215 484 W CA 1.119 58.417 57.345 -0.077 0.000 1.278 484 W CB -0.017 29.369 29.460 -0.123 0.000 1.154 484 W HN 0.053 nan 8.180 nan 0.000 0.486 485 M N 0.440 119.721 119.600 -0.532 0.000 2.254 485 M HA -0.111 4.366 4.480 -0.006 0.000 0.265 485 M C 2.033 177.919 176.300 -0.689 0.000 1.066 485 M CA 1.517 56.360 55.300 -0.761 0.000 1.123 485 M CB -1.412 30.921 32.600 -0.446 0.000 1.388 485 M HN 0.015 nan 8.290 nan 0.000 0.425 486 R N -0.146 119.818 120.500 -0.893 0.000 2.127 486 R HA 0.006 4.343 4.340 -0.006 0.000 0.217 486 R C 0.850 176.492 176.300 -1.097 0.000 1.074 486 R CA 1.349 56.696 56.100 -1.255 0.000 0.991 486 R CB 0.005 29.001 30.300 -2.173 0.000 0.895 486 R HN 0.244 nan 8.270 nan 0.000 0.450 487 F N -1.151 118.590 119.950 -0.348 0.000 2.856 487 F HA 0.388 4.911 4.527 -0.007 0.000 0.338 487 F C 0.315 175.999 175.800 -0.195 0.000 1.100 487 F CA -0.210 57.666 58.000 -0.207 0.000 1.150 487 F CB 0.540 39.465 39.000 -0.125 0.000 1.101 487 F HN -0.197 nan 8.300 nan 0.000 0.548 488 S N 1.187 116.744 115.700 -0.239 0.000 3.641 488 S HA -0.245 4.221 4.470 -0.006 0.000 0.346 488 S C -0.285 174.414 174.600 0.164 0.000 1.074 488 S CA 0.992 58.976 58.200 -0.359 0.000 1.026 488 S CB -1.425 61.614 63.200 -0.268 0.000 0.908 488 S HN 0.618 nan 8.310 nan 0.000 0.479 489 D N -0.188 120.383 120.400 0.285 0.000 2.185 489 D HA 0.594 5.231 4.640 -0.006 0.000 0.247 489 D C 0.522 177.037 176.300 0.358 0.000 1.027 489 D CA -0.683 53.489 54.000 0.287 0.000 0.861 489 D CB 0.721 41.650 40.800 0.215 0.000 1.202 489 D HN 0.186 nan 8.370 nan 0.000 0.453 490 L N 2.633 123.996 121.223 0.233 0.000 3.229 490 L HA 0.137 4.473 4.340 -0.006 0.000 0.286 490 L C 1.613 178.593 176.870 0.183 0.000 1.239 490 L CA -0.088 54.859 54.840 0.178 0.000 1.035 490 L CB 0.301 42.351 42.059 -0.015 0.000 1.408 490 L HN 0.467 nan 8.230 nan 0.000 0.593 491 S N -2.465 113.327 115.700 0.154 0.000 2.481 491 S HA -0.077 4.390 4.470 -0.006 0.000 0.231 491 S C 1.450 176.117 174.600 0.111 0.000 0.996 491 S CA 1.234 59.498 58.200 0.107 0.000 0.942 491 S CB -0.062 63.183 63.200 0.074 0.000 0.768 491 S HN 0.281 nan 8.310 nan 0.000 0.520 492 T N 0.307 114.955 114.554 0.157 0.000 3.058 492 T HA 0.201 4.547 4.350 -0.006 0.000 0.278 492 T C -0.104 174.681 174.700 0.142 0.000 0.974 492 T CA -0.715 61.458 62.100 0.123 0.000 0.893 492 T CB -0.054 68.882 68.868 0.114 0.000 1.138 492 T HN 0.562 nan 8.240 nan 0.000 0.529 493 W N 3.020 124.323 121.300 0.005 0.000 2.170 493 W HA 0.186 4.842 4.660 -0.006 0.000 0.342 493 W C -0.585 175.906 176.519 -0.046 0.000 1.294 493 W CA 0.368 57.693 57.345 -0.032 0.000 1.246 493 W CB 0.415 29.820 29.460 -0.092 0.000 1.156 493 W HN 0.184 nan 8.180 nan 0.000 0.572 494 E N 2.858 122.617 120.200 -0.734 0.000 2.171 494 E HA 0.490 4.837 4.350 -0.006 0.000 0.271 494 E C 0.384 176.737 176.600 -0.413 0.000 0.916 494 E CA -0.044 56.085 56.400 -0.452 0.000 0.774 494 E CB 1.468 30.944 29.700 -0.375 0.000 1.128 494 E HN 0.728 nan 8.360 nan 0.000 0.403 495 G N 3.418 112.136 108.800 -0.137 0.000 2.584 495 G HA2 -0.250 3.706 3.960 -0.006 0.000 0.229 495 G HA3 -0.250 3.706 3.960 -0.006 0.000 0.229 495 G C -0.548 174.399 174.900 0.079 0.000 1.320 495 G CA -0.520 44.544 45.100 -0.060 0.000 0.891 495 G HN 0.635 nan 8.290 nan 0.000 0.573 496 D N 1.077 121.503 120.400 0.044 0.000 2.520 496 D HA 0.112 4.748 4.640 -0.006 0.000 0.243 496 D C 2.059 178.426 176.300 0.110 0.000 1.160 496 D CA 0.443 54.470 54.000 0.044 0.000 0.877 496 D CB 0.491 41.279 40.800 -0.021 0.000 1.150 496 D HN 0.677 nan 8.370 nan 0.000 0.494 497 R N 3.336 123.826 120.500 -0.017 0.000 2.193 497 R HA -0.135 4.201 4.340 -0.006 0.000 0.229 497 R C 0.726 176.821 176.300 -0.342 0.000 1.110 497 R CA 0.759 56.694 56.100 -0.275 0.000 0.988 497 R CB -0.165 29.974 30.300 -0.268 0.000 0.871 497 R HN 0.226 nan 8.270 nan 0.000 0.458 498 N N 1.089 119.692 118.700 -0.163 0.000 2.453 498 N HA -0.070 4.666 4.740 -0.006 0.000 0.183 498 N C 1.544 176.990 175.510 -0.107 0.000 1.041 498 N CA 0.866 53.838 53.050 -0.130 0.000 0.900 498 N CB -0.085 38.362 38.487 -0.066 0.000 0.961 498 N HN 0.309 nan 8.380 nan 0.000 0.443 499 L N 0.147 121.333 121.223 -0.061 0.000 2.395 499 L HA 0.128 4.464 4.340 -0.006 0.000 0.218 499 L C 0.759 177.621 176.870 -0.014 0.000 1.130 499 L CA -0.137 54.735 54.840 0.054 0.000 0.826 499 L CB -0.266 41.898 42.059 0.176 0.000 0.941 499 L HN 0.000 nan 8.230 nan 0.000 0.451 500 A N 1.788 124.305 122.820 -0.505 0.000 2.491 500 A HA 0.280 4.597 4.320 -0.006 0.000 0.261 500 A C -2.102 175.249 177.584 -0.388 0.000 1.101 500 A CA -1.009 50.371 52.037 -1.096 0.000 0.772 500 A CB -0.619 16.839 19.000 -2.570 0.000 1.043 500 A HN -0.026 nan 8.150 nan 0.000 0.501 501 P HA 0.125 nan 4.420 nan 0.000 0.275 501 P C 0.226 177.679 177.300 0.255 0.000 1.227 501 P CA -0.121 63.093 63.100 0.190 0.000 0.781 501 P CB 1.098 32.930 31.700 0.220 0.000 0.906 502 S N 2.619 118.418 115.700 0.165 0.000 2.576 502 S HA 0.169 4.636 4.470 -0.006 0.000 0.272 502 S C -0.029 174.602 174.600 0.051 0.000 1.352 502 S CA -0.435 57.843 58.200 0.130 0.000 1.021 502 S CB -0.484 62.808 63.200 0.154 0.000 0.887 502 S HN 0.176 nan 8.310 nan 0.000 0.542 503 F N 1.984 121.976 119.950 0.071 0.000 2.595 503 F HA 0.177 4.700 4.527 -0.007 0.000 0.359 503 F C 0.992 176.838 175.800 0.077 0.000 1.147 503 F CA 0.244 58.277 58.000 0.055 0.000 1.341 503 F CB 0.253 39.263 39.000 0.016 0.000 1.104 503 F HN 0.474 nan 8.300 nan 0.000 0.603 504 V N 2.202 122.277 119.914 0.268 0.000 3.003 504 V HA 0.306 4.423 4.120 -0.006 0.000 0.305 504 V C 0.480 176.672 176.094 0.163 0.000 1.078 504 V CA -0.831 61.584 62.300 0.192 0.000 1.083 504 V CB 1.309 33.231 31.823 0.165 0.000 1.039 504 V HN 0.952 nan 8.190 nan 0.000 0.481 505 N N 0.012 118.790 118.700 0.129 0.000 3.049 505 N HA -0.128 4.608 4.740 -0.006 0.000 0.243 505 N C 0.128 175.700 175.510 0.103 0.000 1.053 505 N CA 0.728 53.837 53.050 0.098 0.000 0.869 505 N CB -0.914 37.609 38.487 0.060 0.000 1.114 505 N HN 1.184 nan 8.380 nan 0.000 0.547 506 E N 0.000 120.272 120.200 0.121 0.000 2.725 506 E HA 0.000 4.346 4.350 -0.006 0.000 0.291 506 E CA 0.000 56.471 56.400 0.118 0.000 0.976 506 E CB 0.000 29.765 29.700 0.109 0.000 0.812 506 E HN 0.000 nan 8.360 nan 0.000 0.440