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_B 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 3.960 3.960 -0.000 0.000 0.244 6 G C 0.000 174.826 174.900 -0.123 0.000 0.946 6 G CA 0.000 45.036 45.100 -0.106 0.000 0.502 7 T N -0.039 114.459 114.554 -0.093 0.000 2.907 7 T HA 0.618 4.968 4.350 -0.000 0.000 0.292 7 T C -1.847 172.847 174.700 -0.010 0.000 1.043 7 T CA -0.510 61.557 62.100 -0.055 0.000 1.003 7 T CB 1.800 70.649 68.868 -0.031 0.000 1.084 7 T HN 0.183 nan 8.240 nan 0.000 0.483 8 Y N 3.590 123.828 120.300 -0.103 0.000 2.328 8 Y HA 0.369 4.918 4.550 -0.000 0.000 0.333 8 Y C 0.761 176.658 175.900 -0.005 0.000 0.958 8 Y CA -1.117 56.958 58.100 -0.041 0.000 1.167 8 Y CB 0.211 38.671 38.460 0.001 0.000 1.151 8 Y HN 1.046 nan 8.280 nan 0.000 0.470 9 C N 4.620 123.732 119.300 -0.314 0.000 2.350 9 C HA 0.085 4.545 4.460 -0.000 0.000 0.168 9 C C 1.463 176.431 174.990 -0.036 0.000 1.407 9 C CA 0.654 59.570 59.018 -0.170 0.000 2.568 9 C CB -2.392 25.229 27.740 -0.199 0.000 1.636 9 C HN 1.828 nan 8.230 nan 0.000 0.259 10 G N 1.960 110.748 108.800 -0.022 0.000 3.206 10 G HA2 0.107 4.067 3.960 -0.000 0.000 0.217 10 G HA3 0.107 4.067 3.960 -0.000 0.000 0.217 10 G C 0.660 175.576 174.900 0.027 0.000 1.350 10 G CA 0.786 45.890 45.100 0.007 0.000 0.836 10 G HN 2.660 nan 8.290 nan 0.000 0.548 11 A N 2.894 125.748 122.820 0.058 0.000 2.511 11 A HA 0.585 4.904 4.320 -0.000 0.000 0.242 11 A C -1.630 175.980 177.584 0.043 0.000 1.069 11 A CA 0.013 52.090 52.037 0.066 0.000 0.763 11 A CB -0.109 18.947 19.000 0.093 0.000 1.001 11 A HN 0.364 nan 8.150 nan 0.000 0.498 12 P HA 0.101 nan 4.420 nan 0.000 0.265 12 P C -0.594 176.690 177.300 -0.026 0.000 1.193 12 P CA 0.504 63.600 63.100 -0.007 0.000 0.765 12 P CB 0.269 31.970 31.700 0.001 0.000 0.823 13 I N 4.003 124.525 120.570 -0.079 0.000 2.325 13 I HA 0.114 4.284 4.170 -0.000 0.000 0.291 13 I C 1.390 177.460 176.117 -0.079 0.000 1.019 13 I CA -0.192 61.027 61.300 -0.134 0.000 1.302 13 I CB 0.768 38.561 38.000 -0.345 0.000 1.401 13 I HN 0.295 nan 8.210 nan 0.000 0.485 14 L N 5.754 126.954 121.223 -0.039 0.000 2.470 14 L HA 0.463 4.803 4.340 -0.000 0.000 0.219 14 L C 0.997 177.865 176.870 -0.004 0.000 1.071 14 L CA 0.027 54.857 54.840 -0.018 0.000 0.850 14 L CB -0.063 41.990 42.059 -0.009 0.000 1.040 14 L HN 0.781 nan 8.230 nan 0.000 0.475 15 G N -0.650 108.160 108.800 0.016 0.000 2.342 15 G HA2 0.302 4.261 3.960 -0.000 0.000 0.297 15 G HA3 0.302 4.261 3.960 -0.000 0.000 0.297 15 G C -3.130 171.824 174.900 0.090 0.000 1.313 15 G CA -0.625 44.499 45.100 0.040 0.000 0.830 15 G HN -0.343 nan 8.290 nan 0.000 0.506 16 P HA 0.427 nan 4.420 nan 0.000 0.274 16 P C 0.414 177.732 177.300 0.030 0.000 1.231 16 P CA 0.153 63.300 63.100 0.077 0.000 0.790 16 P CB 1.425 33.154 31.700 0.049 0.000 0.951 17 G N 0.147 108.931 108.800 -0.026 0.000 2.477 17 G HA2 0.398 4.357 3.960 -0.000 0.000 0.304 17 G HA3 0.398 4.357 3.960 -0.000 0.000 0.304 17 G C 0.310 175.195 174.900 -0.026 0.000 1.175 17 G CA -0.472 44.596 45.100 -0.054 0.000 0.907 17 G HN 0.433 nan 8.290 nan 0.000 0.509 18 S N -0.498 115.214 115.700 0.019 0.000 2.687 18 S HA 0.385 4.855 4.470 -0.000 0.000 0.247 18 S C 1.135 175.677 174.600 -0.097 0.000 1.050 18 S CA 0.237 58.465 58.200 0.046 0.000 1.063 18 S CB 0.522 63.857 63.200 0.224 0.000 1.039 18 S HN 1.063 nan 8.310 nan 0.000 0.580 19 A N 3.629 126.368 122.820 -0.134 0.000 2.587 19 A HA 0.366 4.686 4.320 -0.000 0.000 0.233 19 A C -2.374 175.005 177.584 -0.342 0.000 1.049 19 A CA -0.365 51.493 52.037 -0.299 0.000 0.754 19 A CB -0.561 18.345 19.000 -0.157 0.000 0.977 19 A HN 0.145 nan 8.150 nan 0.000 0.509 20 P HA 0.199 nan 4.420 nan 0.000 0.272 20 P C -0.536 176.670 177.300 -0.157 0.000 1.223 20 P CA -0.321 62.630 63.100 -0.248 0.000 0.784 20 P CB 0.388 31.962 31.700 -0.210 0.000 0.923 21 K N 1.475 121.806 120.400 -0.116 0.000 2.484 21 K HA 0.050 4.370 4.320 -0.000 0.000 0.280 21 K C -0.057 176.498 176.600 -0.076 0.000 1.013 21 K CA -0.391 55.841 56.287 -0.092 0.000 1.029 21 K CB -0.204 32.251 32.500 -0.074 0.000 0.902 21 K HN 0.282 nan 8.250 nan 0.000 0.481 22 L N 2.909 124.090 121.223 -0.070 0.000 2.706 22 L HA -0.103 4.237 4.340 -0.000 0.000 0.282 22 L C 0.749 177.586 176.870 -0.054 0.000 1.219 22 L CA 0.914 55.721 54.840 -0.054 0.000 0.935 22 L CB -0.227 41.806 42.059 -0.043 0.000 1.204 22 L HN 0.611 nan 8.230 nan 0.000 0.491 23 S N 2.085 117.757 115.700 -0.045 0.000 2.552 23 S HA 0.084 4.554 4.470 -0.000 0.000 0.289 23 S C 1.133 175.690 174.600 -0.072 0.000 1.304 23 S CA 0.186 58.358 58.200 -0.047 0.000 1.063 23 S CB 0.254 63.437 63.200 -0.029 0.000 0.848 23 S HN 0.802 nan 8.310 nan 0.000 0.499 24 T N 1.996 116.500 114.554 -0.085 0.000 3.176 24 T HA 0.350 4.700 4.350 -0.000 0.000 0.263 24 T C 0.006 174.627 174.700 -0.132 0.000 1.021 24 T CA -0.503 61.521 62.100 -0.127 0.000 0.905 24 T CB 0.008 68.800 68.868 -0.127 0.000 1.057 24 T HN 0.398 nan 8.240 nan 0.000 0.558 25 K N 0.928 121.270 120.400 -0.096 0.000 2.295 25 K HA 0.679 4.999 4.320 -0.000 0.000 0.239 25 K C -0.613 175.938 176.600 -0.082 0.000 0.991 25 K CA -0.612 55.618 56.287 -0.094 0.000 0.845 25 K CB 1.869 34.348 32.500 -0.035 0.000 1.197 25 K HN 0.125 nan 8.250 nan 0.000 0.441 26 T N -0.500 113.993 114.554 -0.101 0.000 2.916 26 T HA 0.269 4.619 4.350 -0.000 0.000 0.292 26 T C 0.440 175.173 174.700 0.054 0.000 1.055 26 T CA -0.702 61.379 62.100 -0.032 0.000 1.009 26 T CB 0.982 69.821 68.868 -0.047 0.000 1.118 26 T HN 0.657 nan 8.240 nan 0.000 0.497 27 K N 1.947 122.347 120.400 0.000 0.000 2.374 27 K HA 0.177 4.497 4.320 -0.000 0.000 0.196 27 K C -0.480 176.142 176.600 0.037 0.000 1.023 27 K CA -0.106 56.183 56.287 0.003 0.000 1.103 27 K CB 0.027 32.423 32.500 -0.172 0.000 0.848 27 K HN 0.393 nan 8.250 nan 0.000 0.528 28 F N 1.371 121.459 119.950 0.230 0.000 2.412 28 F HA 0.304 4.831 4.527 -0.000 0.000 0.348 28 F C -0.155 175.960 175.800 0.525 0.000 1.102 28 F CA -0.621 57.572 58.000 0.321 0.000 1.196 28 F CB 0.433 39.418 39.000 -0.025 0.000 1.144 28 F HN -0.052 nan 8.300 nan 0.000 0.541 29 W N 2.525 124.236 121.300 0.684 0.000 2.844 29 W HA 0.554 5.213 4.660 -0.000 0.000 0.340 29 W C -0.357 176.499 176.519 0.561 0.000 1.093 29 W CA -1.077 56.606 57.345 0.565 0.000 1.212 29 W CB 0.898 30.468 29.460 0.185 0.000 1.422 29 W HN 0.108 nan 8.180 nan 0.000 0.515 30 R N 1.163 121.957 120.500 0.490 0.000 2.489 30 R HA 0.051 4.391 4.340 -0.000 0.000 0.287 30 R C 1.254 177.629 176.300 0.126 0.000 1.053 30 R CA 0.273 56.364 56.100 -0.014 0.000 1.036 30 R CB 0.732 30.958 30.300 -0.124 0.000 0.966 30 R HN 0.677 nan 8.270 nan 0.000 0.432 31 S N 0.000 115.720 115.700 0.033 0.000 2.562 31 S HA 0.005 4.474 4.470 -0.000 0.000 0.221 31 S C 0.643 175.252 174.600 0.015 0.000 0.975 31 S CA 0.340 58.575 58.200 0.059 0.000 0.918 31 S CB 0.006 63.224 63.200 0.029 0.000 0.772 31 S HN 0.676 nan 8.310 nan 0.000 0.531 32 S N -0.393 115.310 115.700 0.005 0.000 2.656 32 S HA 0.372 4.842 4.470 -0.000 0.000 0.265 32 S C 0.640 175.241 174.600 0.003 0.000 1.132 32 S CA -0.091 58.111 58.200 0.003 0.000 0.819 32 S CB 0.454 63.645 63.200 -0.016 0.000 1.119 32 S HN 0.299 nan 8.310 nan 0.000 0.476 33 T N -0.655 113.902 114.554 0.004 0.000 2.851 33 T HA 0.139 4.488 4.350 -0.000 0.000 0.262 33 T C 0.961 175.655 174.700 -0.011 0.000 1.043 33 T CA 1.319 63.419 62.100 0.001 0.000 1.140 33 T CB -1.592 67.280 68.868 0.006 0.000 0.872 33 T HN 1.127 nan 8.240 nan 0.000 0.446 34 T N 3.825 118.377 114.554 -0.003 0.000 2.772 34 T HA 0.116 4.466 4.350 -0.000 0.000 0.268 34 T C -2.405 172.268 174.700 -0.045 0.000 1.025 34 T CA -0.828 61.270 62.100 -0.003 0.000 1.139 34 T CB -0.560 68.335 68.868 0.045 0.000 1.053 34 T HN 0.284 nan 8.240 nan 0.000 0.483 35 P HA 0.184 nan 4.420 nan 0.000 0.267 35 P C -0.201 176.969 177.300 -0.216 0.000 1.200 35 P CA -0.741 62.294 63.100 -0.107 0.000 0.772 35 P CB 0.331 31.982 31.700 -0.080 0.000 0.855 36 L N 6.161 127.234 121.223 -0.250 0.000 2.418 36 L HA 0.286 4.625 4.340 -0.000 0.000 0.274 36 L C -2.109 174.577 176.870 -0.308 0.000 1.135 36 L CA -1.741 52.864 54.840 -0.391 0.000 0.870 36 L CB -0.436 41.483 42.059 -0.235 0.000 1.154 36 L HN 0.295 nan 8.230 nan 0.000 0.462 37 P HA 0.155 nan 4.420 nan 0.000 0.265 37 P C -2.519 174.713 177.300 -0.113 0.000 1.193 37 P CA -0.828 62.143 63.100 -0.214 0.000 0.765 37 P CB -0.146 31.434 31.700 -0.200 0.000 0.823 38 P HA 0.060 nan 4.420 nan 0.000 0.266 38 P C 1.082 178.387 177.300 0.008 0.000 1.195 38 P CA 1.099 64.182 63.100 -0.029 0.000 0.768 38 P CB 0.231 31.914 31.700 -0.027 0.000 0.838 39 G N 1.422 110.248 108.800 0.043 0.000 2.225 39 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 39 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 39 G C 0.385 175.380 174.900 0.159 0.000 0.988 39 G CA 0.210 45.366 45.100 0.093 0.000 0.625 39 G HN 0.619 nan 8.290 nan 0.000 0.527 40 T N 2.194 116.824 114.554 0.127 0.000 2.928 40 T HA 0.379 4.729 4.350 -0.000 0.000 0.305 40 T C 0.436 175.355 174.700 0.365 0.000 1.035 40 T CA -0.030 62.186 62.100 0.193 0.000 1.145 40 T CB 0.558 69.484 68.868 0.097 0.000 0.963 40 T HN 0.183 nan 8.240 nan 0.000 0.545 41 Y N 2.237 122.621 120.300 0.140 0.000 2.652 41 Y HA 0.149 4.699 4.550 -0.000 0.000 0.344 41 Y C 1.256 177.217 175.900 0.102 0.000 1.254 41 Y CA -0.347 57.799 58.100 0.075 0.000 1.480 41 Y CB 0.128 38.587 38.460 -0.002 0.000 1.345 41 Y HN 0.633 nan 8.280 nan 0.000 0.617 42 E N 2.968 123.195 120.200 0.045 0.000 2.336 42 E HA 0.390 4.740 4.350 -0.000 0.000 0.267 42 E C -2.720 173.602 176.600 -0.465 0.000 0.906 42 E CA -2.422 53.883 56.400 -0.158 0.000 0.781 42 E CB 1.931 31.680 29.700 0.083 0.000 1.261 42 E HN 0.254 nan 8.360 nan 0.000 0.436 43 P HA 0.001 nan 4.420 nan 0.000 0.268 43 P C -0.952 176.173 177.300 -0.293 0.000 1.205 43 P CA 0.108 62.873 63.100 -0.558 0.000 0.771 43 P CB 0.518 31.918 31.700 -0.500 0.000 0.858 44 A N 3.481 126.179 122.820 -0.203 0.000 2.492 44 A HA 0.022 4.342 4.320 -0.000 0.000 0.236 44 A C -0.156 177.385 177.584 -0.071 0.000 1.078 44 A CA -0.016 51.952 52.037 -0.114 0.000 0.773 44 A CB -0.628 18.338 19.000 -0.056 0.000 1.023 44 A HN 0.567 nan 8.150 nan 0.000 0.504 45 Y N 0.856 121.054 120.300 -0.171 0.000 2.811 45 Y HA 0.112 4.661 4.550 -0.000 0.000 0.334 45 Y C 0.678 176.509 175.900 -0.115 0.000 1.247 45 Y CA 0.636 58.641 58.100 -0.158 0.000 1.526 45 Y CB 0.240 38.612 38.460 -0.147 0.000 1.284 45 Y HN 0.442 nan 8.280 nan 0.000 0.586 46 L N 5.983 126.791 121.223 -0.691 0.000 2.728 46 L HA 0.375 4.715 4.340 -0.000 0.000 0.238 46 L C 1.067 177.537 176.870 -0.666 0.000 1.143 46 L CA 0.314 54.837 54.840 -0.529 0.000 0.937 46 L CB -0.702 41.149 42.059 -0.347 0.000 1.225 46 L HN 1.049 nan 8.230 nan 0.000 0.507 47 G N -0.080 107.920 108.800 -1.333 0.000 2.526 47 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.250 47 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.250 47 G C 0.583 175.219 174.900 -0.441 0.000 1.289 47 G CA -0.430 44.230 45.100 -0.733 0.000 0.947 47 G HN 0.102 nan 8.290 nan 0.000 0.517 48 G N -0.485 108.251 108.800 -0.107 0.000 2.462 48 G HA2 -0.004 3.955 3.960 -0.000 0.000 0.220 48 G HA3 -0.004 3.955 3.960 -0.000 0.000 0.220 48 G C 1.205 176.085 174.900 -0.033 0.000 1.121 48 G CA 1.639 46.739 45.100 -0.001 0.000 0.758 48 G HN 0.709 nan 8.290 nan 0.000 0.559 49 K N 0.540 120.886 120.400 -0.090 0.000 2.576 49 K HA 0.119 4.439 4.320 -0.000 0.000 0.209 49 K C -0.399 176.138 176.600 -0.106 0.000 1.049 49 K CA -0.435 55.807 56.287 -0.074 0.000 1.140 49 K CB 0.519 32.982 32.500 -0.061 0.000 0.871 49 K HN 0.053 nan 8.250 nan 0.000 0.479 50 D N 1.763 122.068 120.400 -0.158 0.000 2.434 50 D HA -0.011 4.629 4.640 -0.000 0.000 0.252 50 D C -1.714 174.550 176.300 -0.061 0.000 1.185 50 D CA -1.715 52.185 54.000 -0.167 0.000 0.886 50 D CB 1.339 41.981 40.800 -0.264 0.000 1.148 50 D HN -0.009 nan 8.370 nan 0.000 0.483 51 P HA -0.047 nan 4.420 nan 0.000 0.225 51 P C 0.728 178.049 177.300 0.035 0.000 1.148 51 P CA 0.916 64.009 63.100 -0.012 0.000 0.779 51 P CB 0.270 31.956 31.700 -0.024 0.000 0.780 52 R N -1.517 119.016 120.500 0.055 0.000 2.254 52 R HA 0.190 4.530 4.340 -0.000 0.000 0.195 52 R C -0.013 176.392 176.300 0.175 0.000 0.957 52 R CA 0.266 56.456 56.100 0.150 0.000 1.024 52 R CB 0.391 30.814 30.300 0.207 0.000 0.952 52 R HN 0.014 nan 8.270 nan 0.000 0.484 53 V N 2.185 122.168 119.914 0.116 0.000 2.443 53 V HA 0.237 4.356 4.120 -0.000 0.000 0.293 53 V C -0.514 175.644 176.094 0.106 0.000 1.021 53 V CA -1.064 61.315 62.300 0.130 0.000 0.848 53 V CB 1.851 33.784 31.823 0.183 0.000 0.998 53 V HN -0.002 nan 8.190 nan 0.000 0.424 54 K N 2.803 123.252 120.400 0.082 0.000 2.201 54 K HA 0.479 4.799 4.320 -0.000 0.000 0.278 54 K C 1.121 177.752 176.600 0.052 0.000 1.027 54 K CA 0.460 56.782 56.287 0.058 0.000 0.909 54 K CB 1.277 33.803 32.500 0.043 0.000 1.062 54 K HN 1.105 nan 8.250 nan 0.000 0.465 55 G N 2.466 111.296 108.800 0.049 0.000 2.203 55 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.263 55 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.263 55 G C 0.609 175.533 174.900 0.039 0.000 1.012 55 G CA 0.301 45.424 45.100 0.038 0.000 0.749 55 G HN 0.831 nan 8.290 nan 0.000 0.512 56 G N 0.175 109.024 108.800 0.081 0.000 2.699 56 G HA2 0.527 4.486 3.960 -0.000 0.000 0.246 56 G HA3 0.527 4.486 3.960 -0.000 0.000 0.246 56 G C -0.823 174.121 174.900 0.073 0.000 1.219 56 G CA -0.037 45.093 45.100 0.050 0.000 0.866 56 G HN 0.404 nan 8.290 nan 0.000 0.572 57 P HA 0.189 nan 4.420 nan 0.000 0.274 57 P C 0.294 177.683 177.300 0.149 0.000 1.246 57 P CA -0.358 62.755 63.100 0.022 0.000 0.795 57 P CB 0.926 32.590 31.700 -0.059 0.000 1.006 58 S N 0.324 116.083 115.700 0.098 0.000 2.585 58 S HA 0.108 4.578 4.470 -0.000 0.000 0.273 58 S C 1.562 176.239 174.600 0.129 0.000 1.339 58 S CA -0.573 57.687 58.200 0.100 0.000 1.028 58 S CB -0.091 63.139 63.200 0.050 0.000 0.906 58 S HN 0.362 nan 8.310 nan 0.000 0.528 59 L N 0.922 122.208 121.223 0.104 0.000 2.127 59 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 59 L C 2.929 179.835 176.870 0.060 0.000 1.089 59 L CA 1.138 56.029 54.840 0.086 0.000 0.757 59 L CB -0.556 41.512 42.059 0.015 0.000 0.899 59 L HN 0.705 nan 8.230 nan 0.000 0.434 60 Q N -0.291 119.537 119.800 0.047 0.000 2.084 60 Q HA -0.258 4.082 4.340 -0.000 0.000 0.202 60 Q C 2.144 178.187 176.000 0.071 0.000 0.978 60 Q CA 1.606 57.446 55.803 0.061 0.000 0.844 60 Q CB -0.189 28.587 28.738 0.063 0.000 0.898 60 Q HN 0.443 nan 8.270 nan 0.000 0.426 61 Q N 0.455 120.285 119.800 0.051 0.000 2.050 61 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 61 Q C 2.009 178.024 176.000 0.025 0.000 0.980 61 Q CA 1.919 57.737 55.803 0.026 0.000 0.840 61 Q CB -0.426 28.319 28.738 0.012 0.000 0.898 61 Q HN 0.300 nan 8.270 nan 0.000 0.424 62 V N -1.125 118.813 119.914 0.040 0.000 2.720 62 V HA -0.168 3.952 4.120 -0.000 0.000 0.256 62 V C 2.105 178.225 176.094 0.043 0.000 1.082 62 V CA 2.045 64.365 62.300 0.032 0.000 1.101 62 V CB -0.637 31.215 31.823 0.048 0.000 0.693 62 V HN 0.496 nan 8.190 nan 0.000 0.479 63 M N -0.158 119.472 119.600 0.051 0.000 2.200 63 M HA -0.040 4.439 4.480 -0.000 0.000 0.265 63 M C 2.515 178.853 176.300 0.063 0.000 1.066 63 M CA 1.548 56.877 55.300 0.049 0.000 1.127 63 M CB -0.125 32.496 32.600 0.035 0.000 1.379 63 M HN 0.249 nan 8.290 nan 0.000 0.420 64 R N 0.389 120.928 120.500 0.065 0.000 2.105 64 R HA -0.167 4.172 4.340 -0.000 0.000 0.239 64 R C 1.541 177.859 176.300 0.030 0.000 1.135 64 R CA 1.739 57.860 56.100 0.035 0.000 0.967 64 R CB -0.512 29.760 30.300 -0.047 0.000 0.861 64 R HN 0.464 nan 8.270 nan 0.000 0.442 65 D N 0.222 120.638 120.400 0.026 0.000 2.178 65 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 65 D C 2.004 178.346 176.300 0.069 0.000 0.980 65 D CA 1.007 55.024 54.000 0.028 0.000 0.842 65 D CB -0.070 40.734 40.800 0.008 0.000 0.948 65 D HN 0.201 nan 8.370 nan 0.000 0.472 66 Q N 0.040 119.897 119.800 0.095 0.000 2.083 66 Q HA 0.028 4.368 4.340 -0.000 0.000 0.198 66 Q C 2.610 178.773 176.000 0.271 0.000 0.969 66 Q CA 0.406 56.307 55.803 0.165 0.000 0.838 66 Q CB -0.173 28.654 28.738 0.149 0.000 0.900 66 Q HN 0.369 nan 8.270 nan 0.000 0.436 67 L N 0.568 121.904 121.223 0.189 0.000 2.156 67 L HA -0.152 4.187 4.340 -0.000 0.000 0.208 67 L C 2.444 179.478 176.870 0.273 0.000 1.095 67 L CA 0.784 55.747 54.840 0.205 0.000 0.770 67 L CB -0.314 41.788 42.059 0.072 0.000 0.914 67 L HN 0.094 nan 8.230 nan 0.000 0.439 68 K N 0.814 121.316 120.400 0.170 0.000 2.020 68 K HA -0.179 4.141 4.320 -0.000 0.000 0.212 68 K C -0.602 176.079 176.600 0.134 0.000 1.050 68 K CA 1.778 58.137 56.287 0.120 0.000 0.929 68 K CB -1.226 31.307 32.500 0.055 0.000 0.714 68 K HN 0.082 nan 8.250 nan 0.000 0.443 69 P HA -0.136 nan 4.420 nan 0.000 0.218 69 P C 0.667 177.952 177.300 -0.024 0.000 1.146 69 P CA 1.212 64.317 63.100 0.009 0.000 0.813 69 P CB -0.053 31.610 31.700 -0.061 0.000 0.778 70 F N -0.591 119.390 119.950 0.052 0.000 2.325 70 F HA -0.087 4.440 4.527 -0.000 0.000 0.299 70 F C 2.150 177.977 175.800 0.045 0.000 1.090 70 F CA 1.725 59.763 58.000 0.062 0.000 1.392 70 F CB -0.998 38.103 39.000 0.168 0.000 1.053 70 F HN 0.005 nan 8.300 nan 0.000 0.521 71 T N -3.692 110.994 114.554 0.220 0.000 3.040 71 T HA 0.160 4.509 4.350 -0.000 0.000 0.250 71 T C 0.592 175.332 174.700 0.066 0.000 1.058 71 T CA -0.206 61.973 62.100 0.133 0.000 0.988 71 T CB -0.223 68.716 68.868 0.117 0.000 0.993 71 T HN 0.064 nan 8.240 nan 0.000 0.519 72 E N 2.423 122.650 120.200 0.044 0.000 2.392 72 E HA 0.276 4.626 4.350 -0.000 0.000 0.256 72 E C -2.434 174.161 176.600 -0.008 0.000 1.145 72 E CA -1.951 54.454 56.400 0.009 0.000 0.929 72 E CB 0.163 29.859 29.700 -0.007 0.000 0.998 72 E HN 0.236 nan 8.360 nan 0.000 0.442 73 P HA 0.016 nan 4.420 nan 0.000 0.269 73 P C -0.626 176.650 177.300 -0.041 0.000 1.209 73 P CA 0.057 63.143 63.100 -0.022 0.000 0.776 73 P CB 0.535 32.223 31.700 -0.020 0.000 0.876 74 R N 1.466 121.939 120.500 -0.044 0.000 2.738 74 R HA 0.341 4.681 4.340 -0.000 0.000 0.268 74 R C 1.217 177.484 176.300 -0.055 0.000 1.062 74 R CA -0.052 56.009 56.100 -0.066 0.000 1.158 74 R CB -0.288 29.973 30.300 -0.066 0.000 1.046 74 R HN 0.632 nan 8.270 nan 0.000 0.493 75 G N 1.521 110.283 108.800 -0.063 0.000 2.570 75 G HA2 0.066 4.025 3.960 -0.000 0.000 0.276 75 G HA3 0.066 4.025 3.960 -0.000 0.000 0.276 75 G C -0.446 174.445 174.900 -0.014 0.000 1.346 75 G CA -0.458 44.624 45.100 -0.030 0.000 1.034 75 G HN 0.233 nan 8.290 nan 0.000 0.512 76 K N 0.890 121.308 120.400 0.029 0.000 2.270 76 K HA 0.248 4.568 4.320 -0.000 0.000 0.276 76 K C -2.376 174.237 176.600 0.022 0.000 1.023 76 K CA -1.686 54.623 56.287 0.036 0.000 0.955 76 K CB 1.105 33.645 32.500 0.067 0.000 0.975 76 K HN 0.128 nan 8.250 nan 0.000 0.471 77 P HA 0.111 nan 4.420 nan 0.000 0.268 77 P C -2.361 174.847 177.300 -0.153 0.000 1.205 77 P CA -1.027 61.997 63.100 -0.127 0.000 0.771 77 P CB -0.276 31.369 31.700 -0.092 0.000 0.858 78 P HA -0.029 nan 4.420 nan 0.000 0.266 78 P C -0.103 177.131 177.300 -0.109 0.000 1.193 78 P CA 0.057 62.911 63.100 -0.411 0.000 0.770 78 P CB 0.243 31.558 31.700 -0.641 0.000 0.836 79 K N 5.297 125.706 120.400 0.015 0.000 2.405 79 K HA -0.072 4.248 4.320 -0.000 0.000 0.273 79 K C -1.594 174.994 176.600 -0.019 0.000 1.116 79 K CA -0.616 55.680 56.287 0.016 0.000 1.155 79 K CB -0.098 32.430 32.500 0.047 0.000 0.858 79 K HN 0.266 nan 8.250 nan 0.000 0.477 80 P HA -0.210 nan 4.420 nan 0.000 0.219 80 P C 1.034 178.319 177.300 -0.026 0.000 1.146 80 P CA 1.368 64.446 63.100 -0.037 0.000 0.808 80 P CB 0.159 31.840 31.700 -0.031 0.000 0.779 81 S N -0.537 115.156 115.700 -0.012 0.000 2.368 81 S HA -0.153 4.316 4.470 -0.000 0.000 0.225 81 S C 2.035 176.633 174.600 -0.003 0.000 1.030 81 S CA 1.625 59.822 58.200 -0.006 0.000 0.999 81 S CB -1.897 61.304 63.200 0.003 0.000 0.844 81 S HN 0.168 nan 8.310 nan 0.000 0.459 82 V N -0.007 119.908 119.914 0.003 0.000 2.788 82 V HA 0.151 4.271 4.120 -0.000 0.000 0.251 82 V C 2.162 178.251 176.094 -0.008 0.000 1.068 82 V CA 1.120 63.428 62.300 0.012 0.000 1.090 82 V CB -0.696 31.150 31.823 0.039 0.000 0.710 82 V HN 0.400 nan 8.190 nan 0.000 0.467 83 L N 1.172 122.373 121.223 -0.037 0.000 2.046 83 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 83 L C 2.481 179.318 176.870 -0.056 0.000 1.077 83 L CA 2.624 57.424 54.840 -0.067 0.000 0.747 83 L CB -1.010 40.989 42.059 -0.100 0.000 0.896 83 L HN 0.530 nan 8.230 nan 0.000 0.432 84 E N -0.046 120.129 120.200 -0.042 0.000 2.058 84 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 84 E C 2.104 178.687 176.600 -0.028 0.000 0.997 84 E CA 1.740 58.120 56.400 -0.034 0.000 0.801 84 E CB -0.457 29.228 29.700 -0.025 0.000 0.746 84 E HN 0.548 nan 8.360 nan 0.000 0.450 85 A N 0.576 123.387 122.820 -0.016 0.000 1.930 85 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 85 A C 2.424 180.000 177.584 -0.012 0.000 1.175 85 A CA 1.976 54.010 52.037 -0.005 0.000 0.627 85 A CB -0.931 18.075 19.000 0.011 0.000 0.815 85 A HN 0.370 nan 8.150 nan 0.000 0.443 86 A N -0.114 122.694 122.820 -0.020 0.000 1.902 86 A HA -0.175 4.144 4.320 -0.000 0.000 0.217 86 A C 2.138 179.656 177.584 -0.109 0.000 1.181 86 A CA 1.978 53.991 52.037 -0.041 0.000 0.623 86 A CB -0.465 18.514 19.000 -0.036 0.000 0.818 86 A HN 0.546 nan 8.150 nan 0.000 0.443 87 K N -0.021 120.320 120.400 -0.099 0.000 2.032 87 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 87 K C 2.010 178.553 176.600 -0.094 0.000 1.048 87 K CA 1.819 58.038 56.287 -0.113 0.000 0.927 87 K CB -0.214 32.241 32.500 -0.076 0.000 0.712 87 K HN 0.442 nan 8.250 nan 0.000 0.441 88 K N -0.257 120.111 120.400 -0.054 0.000 2.103 88 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 88 K C 2.097 178.680 176.600 -0.027 0.000 1.048 88 K CA 1.885 58.156 56.287 -0.027 0.000 0.930 88 K CB -0.106 32.387 32.500 -0.012 0.000 0.716 88 K HN 0.228 nan 8.250 nan 0.000 0.444 89 T N 1.674 116.201 114.554 -0.044 0.000 2.701 89 T HA -0.085 4.264 4.350 -0.000 0.000 0.263 89 T C 1.886 176.529 174.700 -0.095 0.000 1.040 89 T CA 1.089 63.174 62.100 -0.026 0.000 1.147 89 T CB -0.191 68.687 68.868 0.017 0.000 0.865 89 T HN 0.131 nan 8.240 nan 0.000 0.426 90 I N 0.677 121.068 120.570 -0.299 0.000 2.151 90 I HA -0.210 3.960 4.170 -0.000 0.000 0.243 90 I C 2.295 178.255 176.117 -0.261 0.000 1.080 90 I CA 1.503 62.445 61.300 -0.597 0.000 1.339 90 I CB -0.462 36.962 38.000 -0.959 0.000 1.039 90 I HN 0.232 nan 8.210 nan 0.000 0.409 91 I N 0.681 121.207 120.570 -0.072 0.000 2.179 91 I HA -0.331 3.839 4.170 -0.000 0.000 0.242 91 I C 2.360 178.583 176.117 0.177 0.000 1.088 91 I CA 1.934 63.337 61.300 0.172 0.000 1.357 91 I CB -0.500 37.610 38.000 0.183 0.000 1.051 91 I HN 0.344 nan 8.210 nan 0.000 0.409 92 N N 0.605 119.356 118.700 0.084 0.000 2.069 92 N HA -0.174 4.565 4.740 -0.000 0.000 0.191 92 N C 1.787 177.333 175.510 0.059 0.000 1.031 92 N CA 1.582 54.678 53.050 0.078 0.000 0.852 92 N CB -0.084 38.436 38.487 0.054 0.000 1.018 92 N HN 0.050 nan 8.380 nan 0.000 0.423 93 V N 0.464 120.411 119.914 0.056 0.000 2.282 93 V HA -0.221 3.898 4.120 -0.000 0.000 0.249 93 V C 2.282 178.383 176.094 0.012 0.000 1.057 93 V CA 1.289 63.641 62.300 0.086 0.000 1.032 93 V CB -0.683 31.288 31.823 0.246 0.000 0.645 93 V HN 0.361 nan 8.190 nan 0.000 0.447 94 L N -0.241 120.929 121.223 -0.089 0.000 2.046 94 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 94 L C 2.447 179.151 176.870 -0.276 0.000 1.077 94 L CA 1.717 56.344 54.840 -0.355 0.000 0.747 94 L CB -1.176 40.328 42.059 -0.924 0.000 0.896 94 L HN 0.420 nan 8.230 nan 0.000 0.432 95 E N -0.992 119.200 120.200 -0.013 0.000 2.085 95 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 95 E C 2.080 178.707 176.600 0.045 0.000 0.994 95 E CA 1.261 57.748 56.400 0.145 0.000 0.801 95 E CB -0.063 29.757 29.700 0.201 0.000 0.743 95 E HN 0.595 nan 8.360 nan 0.000 0.453 96 Q N -0.677 119.132 119.800 0.014 0.000 2.378 96 Q HA -0.035 4.305 4.340 -0.000 0.000 0.205 96 Q C 1.532 177.511 176.000 -0.035 0.000 0.954 96 Q CA 1.089 56.894 55.803 0.004 0.000 0.901 96 Q CB 0.472 29.220 28.738 0.016 0.000 0.981 96 Q HN 0.203 nan 8.270 nan 0.000 0.483 97 T N 0.541 115.038 114.554 -0.096 0.000 3.087 97 T HA 0.163 4.512 4.350 -0.000 0.000 0.237 97 T C 0.987 175.449 174.700 -0.396 0.000 0.990 97 T CA -0.011 61.977 62.100 -0.185 0.000 1.160 97 T CB 0.145 68.908 68.868 -0.176 0.000 0.923 97 T HN 0.257 nan 8.240 nan 0.000 0.442 98 I N 0.432 120.764 120.570 -0.395 0.000 2.677 98 I HA 0.530 4.700 4.170 -0.000 0.000 0.305 98 I C -0.892 175.134 176.117 -0.153 0.000 0.988 98 I CA -0.984 60.031 61.300 -0.474 0.000 1.260 98 I CB 0.980 38.771 38.000 -0.348 0.000 1.410 98 I HN -0.088 nan 8.210 nan 0.000 0.523 99 D N 3.953 124.334 120.400 -0.032 0.000 2.388 99 D HA 0.383 5.023 4.640 -0.000 0.000 0.254 99 D C -2.447 173.906 176.300 0.087 0.000 1.111 99 D CA -1.079 52.959 54.000 0.063 0.000 0.993 99 D CB 0.849 41.716 40.800 0.112 0.000 1.118 99 D HN 0.414 nan 8.370 nan 0.000 0.502 100 P HA 0.152 nan 4.420 nan 0.000 0.267 100 P C -2.317 175.051 177.300 0.114 0.000 1.205 100 P CA -0.873 62.295 63.100 0.113 0.000 0.765 100 P CB -0.355 31.404 31.700 0.097 0.000 0.828 101 P HA 0.051 nan 4.420 nan 0.000 0.268 101 P C -0.146 177.224 177.300 0.117 0.000 1.205 101 P CA 0.251 63.418 63.100 0.111 0.000 0.771 101 P CB 0.874 32.633 31.700 0.098 0.000 0.858 102 E N 1.782 122.065 120.200 0.139 0.000 2.374 102 E HA 0.126 4.476 4.350 -0.000 0.000 0.260 102 E C 0.183 176.902 176.600 0.199 0.000 1.101 102 E CA -0.487 56.013 56.400 0.167 0.000 0.907 102 E CB 0.718 30.534 29.700 0.193 0.000 1.014 102 E HN 0.322 nan 8.360 nan 0.000 0.427 103 K N 1.407 121.929 120.400 0.203 0.000 2.218 103 K HA 0.147 4.466 4.320 -0.000 0.000 0.276 103 K C -0.833 175.992 176.600 0.375 0.000 1.022 103 K CA -0.247 56.177 56.287 0.228 0.000 0.946 103 K CB 0.608 33.217 32.500 0.181 0.000 1.000 103 K HN 0.323 nan 8.250 nan 0.000 0.468 104 W N 2.136 123.448 121.300 0.021 0.000 2.361 104 W HA 0.133 4.792 4.660 -0.001 0.000 0.309 104 W C 0.888 177.415 176.519 0.013 0.000 1.122 104 W CA -0.694 56.652 57.345 0.002 0.000 1.208 104 W CB 0.910 30.347 29.460 -0.039 0.000 1.246 104 W HN 0.609 nan 8.180 nan 0.000 0.490 105 S N 2.760 118.549 115.700 0.148 0.000 2.641 105 S HA 0.146 4.616 4.470 -0.000 0.000 0.261 105 S C 0.894 175.590 174.600 0.161 0.000 1.257 105 S CA -0.250 58.033 58.200 0.139 0.000 0.983 105 S CB 0.477 63.728 63.200 0.084 0.000 0.990 105 S HN 0.392 nan 8.310 nan 0.000 0.572 106 F N 1.408 121.385 119.950 0.045 0.000 2.102 106 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 106 F C 2.582 178.412 175.800 0.050 0.000 1.105 106 F CA 2.247 60.283 58.000 0.059 0.000 1.239 106 F CB -1.298 37.747 39.000 0.076 0.000 0.991 106 F HN 0.687 nan 8.300 nan 0.000 0.474 107 T N 0.427 114.973 114.554 -0.014 0.000 2.720 107 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 107 T C 1.888 176.473 174.700 -0.192 0.000 1.037 107 T CA 1.841 63.867 62.100 -0.124 0.000 1.144 107 T CB -0.291 68.556 68.868 -0.034 0.000 0.864 107 T HN 0.412 nan 8.240 nan 0.000 0.444 108 Q N 0.561 120.220 119.800 -0.235 0.000 2.050 108 Q HA -0.035 4.305 4.340 -0.000 0.000 0.202 108 Q C 2.794 178.512 176.000 -0.471 0.000 0.980 108 Q CA 1.416 56.934 55.803 -0.474 0.000 0.840 108 Q CB -0.361 27.934 28.738 -0.740 0.000 0.898 108 Q HN 0.553 nan 8.270 nan 0.000 0.424 109 A N 0.622 123.324 122.820 -0.197 0.000 1.883 109 A HA -0.234 4.085 4.320 -0.000 0.000 0.217 109 A C 2.379 179.926 177.584 -0.061 0.000 1.186 109 A CA 1.621 53.674 52.037 0.027 0.000 0.624 109 A CB -1.087 17.968 19.000 0.092 0.000 0.822 109 A HN 0.520 nan 8.150 nan 0.000 0.444 110 C N -1.136 118.041 119.300 -0.204 0.000 2.453 110 C HA 0.094 4.554 4.460 -0.000 0.000 0.277 110 C C 3.326 178.154 174.990 -0.269 0.000 1.262 110 C CA 0.611 59.525 59.018 -0.173 0.000 1.718 110 C CB -1.456 26.138 27.740 -0.244 0.000 2.031 110 C HN 0.719 nan 8.230 nan 0.000 0.480 111 A N 1.424 124.134 122.820 -0.183 0.000 1.917 111 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 111 A C 2.284 179.737 177.584 -0.219 0.000 1.182 111 A CA 2.620 54.550 52.037 -0.179 0.000 0.633 111 A CB -1.028 17.888 19.000 -0.140 0.000 0.819 111 A HN 0.740 nan 8.150 nan 0.000 0.448 112 S N -0.752 114.846 115.700 -0.169 0.000 2.547 112 S HA 0.137 4.607 4.470 -0.000 0.000 0.235 112 S C 0.598 175.195 174.600 -0.005 0.000 0.980 112 S CA 0.066 58.243 58.200 -0.038 0.000 0.941 112 S CB -0.750 62.539 63.200 0.148 0.000 0.763 112 S HN 0.380 nan 8.310 nan 0.000 0.532 113 L N 2.057 123.233 121.223 -0.079 0.000 2.350 113 L HA 0.387 4.727 4.340 -0.000 0.000 0.275 113 L C 0.160 176.958 176.870 -0.120 0.000 1.099 113 L CA -0.733 54.079 54.840 -0.046 0.000 0.808 113 L CB 0.372 42.444 42.059 0.021 0.000 1.149 113 L HN 0.081 nan 8.230 nan 0.000 0.442 114 D N 2.695 123.068 120.400 -0.045 0.000 2.346 114 D HA -0.004 4.636 4.640 -0.000 0.000 0.260 114 D C 0.664 176.918 176.300 -0.077 0.000 1.252 114 D CA 0.013 53.982 54.000 -0.051 0.000 0.895 114 D CB 0.902 41.708 40.800 0.010 0.000 1.097 114 D HN 0.275 nan 8.370 nan 0.000 0.489 115 K N 2.393 122.698 120.400 -0.158 0.000 2.486 115 K HA -0.015 4.305 4.320 -0.000 0.000 0.194 115 K C 1.625 178.197 176.600 -0.047 0.000 1.033 115 K CA 0.236 56.424 56.287 -0.166 0.000 1.004 115 K CB -0.122 32.164 32.500 -0.356 0.000 0.798 115 K HN 0.380 nan 8.250 nan 0.000 0.495 116 T N 1.537 116.077 114.554 -0.024 0.000 2.788 116 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 116 T C 1.140 175.857 174.700 0.028 0.000 1.044 116 T CA 1.481 63.587 62.100 0.010 0.000 1.139 116 T CB -0.016 68.861 68.868 0.015 0.000 0.867 116 T HN 0.526 nan 8.240 nan 0.000 0.454 117 T N -0.665 113.908 114.554 0.033 0.000 2.912 117 T HA 0.546 4.896 4.350 -0.000 0.000 0.280 117 T C 0.287 175.022 174.700 0.059 0.000 0.989 117 T CA -0.829 61.302 62.100 0.051 0.000 0.995 117 T CB 1.447 70.352 68.868 0.061 0.000 1.077 117 T HN 0.016 nan 8.240 nan 0.000 0.531 118 S N 0.211 115.954 115.700 0.072 0.000 2.563 118 S HA 0.117 4.587 4.470 -0.000 0.000 0.284 118 S C 1.444 176.077 174.600 0.056 0.000 1.331 118 S CA -0.092 58.156 58.200 0.080 0.000 1.047 118 S CB -0.062 63.206 63.200 0.114 0.000 0.859 118 S HN 1.010 nan 8.310 nan 0.000 0.514 119 S N 3.554 119.270 115.700 0.027 0.000 2.593 119 S HA 0.360 4.830 4.470 -0.000 0.000 0.217 119 S C 1.364 175.924 174.600 -0.067 0.000 0.966 119 S CA 0.314 58.496 58.200 -0.029 0.000 0.914 119 S CB -1.174 61.989 63.200 -0.061 0.000 0.776 119 S HN 1.689 nan 8.310 nan 0.000 0.523 120 G N 1.898 110.671 108.800 -0.045 0.000 2.596 120 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.295 120 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.295 120 G C -0.163 174.413 174.900 -0.539 0.000 1.240 120 G CA 0.451 45.485 45.100 -0.111 0.000 0.985 120 G HN 0.987 nan 8.290 nan 0.000 0.555 121 H N 3.439 122.219 119.070 -0.483 0.000 2.732 121 H HA 0.467 5.023 4.556 -0.000 0.000 0.351 121 H C -0.943 174.127 175.328 -0.429 0.000 1.090 121 H CA -0.680 55.057 56.048 -0.518 0.000 1.431 121 H CB 1.652 31.271 29.762 -0.237 0.000 1.447 121 H HN 0.230 nan 8.280 nan 0.000 0.582 122 P HA 0.006 nan 4.420 nan 0.000 0.257 122 P C 0.442 177.324 177.300 -0.697 0.000 1.241 122 P CA 0.731 63.134 63.100 -1.163 0.000 0.816 122 P CB 0.561 31.554 31.700 -1.178 0.000 1.150 123 H N -0.920 117.928 119.070 -0.371 0.000 2.497 123 H HA 0.071 4.626 4.556 -0.000 0.000 0.282 123 H C 0.378 175.680 175.328 -0.043 0.000 1.003 123 H CA 0.602 56.556 56.048 -0.156 0.000 1.307 123 H CB -0.761 28.929 29.762 -0.120 0.000 1.437 123 H HN 0.288 nan 8.280 nan 0.000 0.544 124 H N -0.441 118.659 119.070 0.049 0.000 2.655 124 H HA -0.137 4.419 4.556 -0.000 0.000 0.313 124 H C 0.143 175.504 175.328 0.054 0.000 1.141 124 H CA 0.594 56.667 56.048 0.041 0.000 1.138 124 H CB -1.630 28.147 29.762 0.025 0.000 1.446 124 H HN 0.261 nan 8.280 nan 0.000 0.415 125 M N 0.189 119.860 119.600 0.118 0.000 2.314 125 M HA 0.256 4.735 4.480 -0.000 0.000 0.342 125 M C 1.207 177.557 176.300 0.085 0.000 1.171 125 M CA -0.466 54.891 55.300 0.095 0.000 1.098 125 M CB 1.066 33.709 32.600 0.071 0.000 1.559 125 M HN 0.110 nan 8.290 nan 0.000 0.459 126 R N 1.107 121.656 120.500 0.082 0.000 2.570 126 R HA 0.009 4.349 4.340 -0.000 0.000 0.277 126 R C 1.054 177.412 176.300 0.098 0.000 1.039 126 R CA 0.364 56.511 56.100 0.078 0.000 1.065 126 R CB 0.733 31.075 30.300 0.070 0.000 0.964 126 R HN 0.584 nan 8.270 nan 0.000 0.428 127 K N 1.955 122.415 120.400 0.101 0.000 2.148 127 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 127 K C 1.317 178.044 176.600 0.212 0.000 1.050 127 K CA 1.518 57.910 56.287 0.175 0.000 0.942 127 K CB -0.034 32.563 32.500 0.162 0.000 0.724 127 K HN 0.589 nan 8.250 nan 0.000 0.446 128 N N 0.759 119.532 118.700 0.122 0.000 2.443 128 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 128 N C 0.871 176.494 175.510 0.187 0.000 1.037 128 N CA 0.735 53.875 53.050 0.150 0.000 0.896 128 N CB 0.172 38.712 38.487 0.089 0.000 0.959 128 N HN 0.130 nan 8.380 nan 0.000 0.442 129 D N -0.553 119.940 120.400 0.154 0.000 2.178 129 D HA -0.035 4.605 4.640 -0.000 0.000 0.202 129 D C 0.319 176.709 176.300 0.150 0.000 0.974 129 D CA 0.812 54.888 54.000 0.127 0.000 0.841 129 D CB -0.054 40.802 40.800 0.094 0.000 0.953 129 D HN 0.235 nan 8.370 nan 0.000 0.478 130 C N 1.195 120.627 119.300 0.221 0.000 2.534 130 C HA 0.261 4.721 4.460 -0.000 0.000 0.285 130 C C -0.686 174.554 174.990 0.417 0.000 1.505 130 C CA -0.956 58.213 59.018 0.251 0.000 1.715 130 C CB -0.629 27.236 27.740 0.209 0.000 2.935 130 C HN 0.295 nan 8.230 nan 0.000 0.540 131 W N 2.864 124.213 121.300 0.082 0.000 2.968 131 W HA 0.300 4.959 4.660 -0.001 0.000 0.337 131 W C -0.830 175.662 176.519 -0.045 0.000 1.060 131 W CA -0.453 56.879 57.345 -0.023 0.000 1.240 131 W CB 1.082 30.487 29.460 -0.091 0.000 1.370 131 W HN 0.523 nan 8.180 nan 0.000 0.459 132 N N 3.263 121.611 118.700 -0.586 0.000 2.451 132 N HA 0.249 4.989 4.740 -0.000 0.000 0.264 132 N C 1.045 176.161 175.510 -0.655 0.000 1.167 132 N CA 0.221 52.992 53.050 -0.466 0.000 0.898 132 N CB 0.331 38.630 38.487 -0.312 0.000 1.176 132 N HN 0.757 nan 8.380 nan 0.000 0.507 133 G N -0.815 107.393 108.800 -0.986 0.000 2.189 133 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.267 133 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.267 133 G C 0.534 175.043 174.900 -0.651 0.000 0.975 133 G CA 0.752 45.557 45.100 -0.491 0.000 0.644 133 G HN 0.514 nan 8.290 nan 0.000 0.537 134 E N -1.475 117.916 120.200 -1.347 0.000 3.027 134 E HA 0.216 4.566 4.350 -0.000 0.000 0.221 134 E C 0.319 176.247 176.600 -1.119 0.000 1.070 134 E CA 0.899 56.777 56.400 -0.870 0.000 1.705 134 E CB 0.333 29.753 29.700 -0.466 0.000 1.998 134 E HN 0.335 nan 8.360 nan 0.000 0.976 135 S N -0.218 114.756 115.700 -1.210 0.000 2.627 135 S HA 0.578 5.048 4.470 -0.000 0.000 0.283 135 S C -0.852 173.436 174.600 -0.521 0.000 1.127 135 S CA -0.606 57.205 58.200 -0.649 0.000 0.863 135 S CB 1.141 64.203 63.200 -0.230 0.000 1.121 135 S HN 0.082 nan 8.310 nan 0.000 0.479 136 F N 1.972 121.995 119.950 0.121 0.000 2.450 136 F HA 0.375 4.901 4.527 -0.000 0.000 0.339 136 F C 1.331 177.183 175.800 0.086 0.000 1.146 136 F CA 0.065 58.202 58.000 0.228 0.000 1.267 136 F CB 0.631 39.785 39.000 0.257 0.000 1.178 136 F HN 0.370 nan 8.300 nan 0.000 0.585 137 T N 0.408 115.142 114.554 0.300 0.000 2.942 137 T HA 0.619 4.969 4.350 -0.000 0.000 0.289 137 T C 0.664 175.428 174.700 0.106 0.000 1.044 137 T CA -0.287 61.897 62.100 0.141 0.000 1.023 137 T CB 1.413 70.330 68.868 0.082 0.000 1.123 137 T HN 0.992 nan 8.240 nan 0.000 0.512 138 G N 1.976 110.805 108.800 0.048 0.000 2.660 138 G HA2 -0.390 3.569 3.960 -0.000 0.000 0.321 138 G HA3 -0.390 3.569 3.960 -0.000 0.000 0.321 138 G C 0.940 175.813 174.900 -0.045 0.000 1.246 138 G CA 0.991 46.090 45.100 -0.003 0.000 1.000 138 G HN 0.774 nan 8.290 nan 0.000 0.550 139 K N 0.297 120.606 120.400 -0.150 0.000 2.148 139 K HA 0.237 4.556 4.320 -0.000 0.000 0.204 139 K C 2.599 179.038 176.600 -0.267 0.000 1.050 139 K CA 1.280 57.363 56.287 -0.340 0.000 0.942 139 K CB -0.121 31.900 32.500 -0.799 0.000 0.724 139 K HN 0.388 nan 8.250 nan 0.000 0.446 140 L N 0.338 121.467 121.223 -0.157 0.000 2.341 140 L HA 0.016 4.356 4.340 -0.000 0.000 0.214 140 L C 2.381 179.217 176.870 -0.057 0.000 1.115 140 L CA 0.446 55.204 54.840 -0.137 0.000 0.820 140 L CB -0.376 41.604 42.059 -0.132 0.000 0.944 140 L HN 0.188 nan 8.230 nan 0.000 0.452 141 A N -0.442 122.446 122.820 0.113 0.000 2.016 141 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 141 A C 1.826 179.496 177.584 0.143 0.000 1.162 141 A CA 1.444 53.617 52.037 0.227 0.000 0.662 141 A CB -0.283 18.846 19.000 0.215 0.000 0.812 141 A HN 0.315 nan 8.150 nan 0.000 0.450 142 D N -0.951 119.488 120.400 0.064 0.000 2.091 142 D HA -0.166 4.473 4.640 -0.000 0.000 0.199 142 D C 2.147 178.483 176.300 0.059 0.000 0.980 142 D CA 1.461 55.490 54.000 0.049 0.000 0.831 142 D CB -0.082 40.732 40.800 0.023 0.000 0.987 142 D HN 0.552 nan 8.370 nan 0.000 0.460 143 Q N -0.079 119.760 119.800 0.065 0.000 2.061 143 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 143 Q C 1.977 178.010 176.000 0.055 0.000 0.984 143 Q CA 1.822 57.658 55.803 0.056 0.000 0.846 143 Q CB -0.195 28.579 28.738 0.059 0.000 0.902 143 Q HN 0.283 nan 8.270 nan 0.000 0.421 144 A N 0.164 123.032 122.820 0.079 0.000 1.877 144 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 144 A C 2.234 179.997 177.584 0.298 0.000 1.186 144 A CA 1.818 53.999 52.037 0.240 0.000 0.620 144 A CB -1.153 18.053 19.000 0.344 0.000 0.822 144 A HN 0.508 nan 8.150 nan 0.000 0.443 145 S N -0.147 115.646 115.700 0.155 0.000 2.370 145 S HA -0.242 4.228 4.470 -0.000 0.000 0.226 145 S C 2.133 176.672 174.600 -0.100 0.000 1.033 145 S CA 2.185 60.302 58.200 -0.139 0.000 1.011 145 S CB -0.317 62.826 63.200 -0.095 0.000 0.852 145 S HN 0.570 nan 8.310 nan 0.000 0.457 146 K N 1.565 121.957 120.400 -0.012 0.000 2.026 146 K HA 0.139 4.459 4.320 -0.000 0.000 0.208 146 K C 2.091 178.704 176.600 0.022 0.000 1.048 146 K CA 1.652 57.938 56.287 -0.001 0.000 0.929 146 K CB -1.088 31.419 32.500 0.012 0.000 0.713 146 K HN 0.319 nan 8.250 nan 0.000 0.439 147 A N 1.268 124.122 122.820 0.055 0.000 1.917 147 A HA -0.275 4.044 4.320 -0.000 0.000 0.219 147 A C 2.250 179.906 177.584 0.119 0.000 1.182 147 A CA 2.061 54.152 52.037 0.089 0.000 0.633 147 A CB -1.123 17.943 19.000 0.110 0.000 0.819 147 A HN 0.673 nan 8.150 nan 0.000 0.448 148 N N -0.175 118.584 118.700 0.100 0.000 2.058 148 N HA -0.121 4.619 4.740 -0.000 0.000 0.191 148 N C 1.824 177.379 175.510 0.075 0.000 1.037 148 N CA 1.496 54.594 53.050 0.081 0.000 0.848 148 N CB -0.195 38.141 38.487 -0.251 0.000 1.021 148 N HN 0.504 nan 8.380 nan 0.000 0.422 149 L N 0.599 121.813 121.223 -0.015 0.000 2.127 149 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 149 L C 2.554 179.437 176.870 0.021 0.000 1.089 149 L CA 0.761 55.596 54.840 -0.008 0.000 0.757 149 L CB -0.294 41.743 42.059 -0.036 0.000 0.899 149 L HN 0.334 nan 8.230 nan 0.000 0.434 150 M N -1.213 118.414 119.600 0.044 0.000 2.175 150 M HA -0.198 4.282 4.480 -0.000 0.000 0.264 150 M C 2.317 178.646 176.300 0.048 0.000 1.063 150 M CA 1.609 56.932 55.300 0.038 0.000 1.119 150 M CB -1.040 31.588 32.600 0.047 0.000 1.377 150 M HN 0.188 nan 8.290 nan 0.000 0.415 151 F N 2.103 122.038 119.950 -0.026 0.000 2.102 151 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 151 F C 2.220 177.986 175.800 -0.057 0.000 1.105 151 F CA 1.629 59.602 58.000 -0.044 0.000 1.239 151 F CB -0.221 38.764 39.000 -0.025 0.000 0.991 151 F HN 0.145 nan 8.300 nan 0.000 0.474 152 E N 0.135 120.292 120.200 -0.071 0.000 2.118 152 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 152 E C 2.226 178.704 176.600 -0.204 0.000 0.992 152 E CA 1.255 57.561 56.400 -0.157 0.000 0.804 152 E CB -0.865 28.838 29.700 0.004 0.000 0.741 152 E HN 0.530 nan 8.360 nan 0.000 0.458 153 G N -0.020 108.696 108.800 -0.140 0.000 3.141 153 G HA2 0.202 4.161 3.960 -0.000 0.000 0.218 153 G HA3 0.202 4.161 3.960 -0.000 0.000 0.218 153 G C 0.970 175.796 174.900 -0.123 0.000 1.170 153 G CA 0.169 45.207 45.100 -0.104 0.000 0.769 153 G HN 0.321 nan 8.290 nan 0.000 0.546 154 G N 0.343 109.017 108.800 -0.210 0.000 2.390 154 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.299 154 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.299 154 G C 0.156 174.996 174.900 -0.099 0.000 1.002 154 G CA 0.568 45.553 45.100 -0.191 0.000 0.979 154 G HN 0.576 nan 8.290 nan 0.000 0.513 155 K N 0.336 120.693 120.400 -0.072 0.000 2.221 155 K HA 0.282 4.602 4.320 -0.000 0.000 0.258 155 K C 0.368 176.960 176.600 -0.013 0.000 0.944 155 K CA -0.907 55.360 56.287 -0.033 0.000 0.823 155 K CB 1.029 33.515 32.500 -0.023 0.000 1.113 155 K HN 0.232 nan 8.250 nan 0.000 0.431 156 N N 3.131 121.828 118.700 -0.005 0.000 2.492 156 N HA 0.118 4.857 4.740 -0.000 0.000 0.260 156 N C -0.454 175.066 175.510 0.016 0.000 1.215 156 N CA 0.598 53.654 53.050 0.009 0.000 0.923 156 N CB 0.648 39.140 38.487 0.009 0.000 1.092 156 N HN 0.299 nan 8.380 nan 0.000 0.448 157 M N 0.717 120.332 119.600 0.025 0.000 2.518 157 M HA 0.205 4.684 4.480 -0.000 0.000 0.300 157 M C -0.581 175.733 176.300 0.023 0.000 1.175 157 M CA -0.676 54.639 55.300 0.024 0.000 0.890 157 M CB 2.368 34.985 32.600 0.029 0.000 1.710 157 M HN 0.278 nan 8.290 nan 0.000 0.453 158 T N 3.012 117.575 114.554 0.015 0.000 2.749 158 T HA 0.411 4.761 4.350 -0.000 0.000 0.295 158 T C -2.445 172.241 174.700 -0.023 0.000 0.936 158 T CA -1.111 60.994 62.100 0.009 0.000 1.060 158 T CB 0.246 69.116 68.868 0.004 0.000 0.904 158 T HN 0.293 nan 8.240 nan 0.000 0.500 159 P HA 0.352 nan 4.420 nan 0.000 0.275 159 P C -0.954 176.193 177.300 -0.255 0.000 1.228 159 P CA -0.582 62.418 63.100 -0.166 0.000 0.786 159 P CB 0.659 32.260 31.700 -0.165 0.000 0.927 160 V N 3.944 123.631 119.914 -0.377 0.000 2.525 160 V HA 0.491 4.610 4.120 -0.000 0.000 0.299 160 V C -1.727 174.131 176.094 -0.393 0.000 1.034 160 V CA -0.684 61.402 62.300 -0.357 0.000 0.863 160 V CB 0.658 32.210 31.823 -0.452 0.000 0.999 160 V HN 0.315 nan 8.190 nan 0.000 0.423 161 Y N 2.902 123.209 120.300 0.011 0.000 2.342 161 Y HA 0.618 5.168 4.550 -0.000 0.000 0.334 161 Y C 1.005 176.884 175.900 -0.035 0.000 1.067 161 Y CA -0.571 57.556 58.100 0.045 0.000 1.128 161 Y CB 1.981 40.519 38.460 0.130 0.000 1.200 161 Y HN 0.605 nan 8.280 nan 0.000 0.464 162 T N 2.940 117.592 114.554 0.163 0.000 2.738 162 T HA 0.324 4.674 4.350 -0.000 0.000 0.298 162 T C 0.542 175.249 174.700 0.013 0.000 0.962 162 T CA -0.792 61.368 62.100 0.099 0.000 0.972 162 T CB 0.281 69.280 68.868 0.218 0.000 0.928 162 T HN 0.938 nan 8.240 nan 0.000 0.474 163 G N 2.372 111.105 108.800 -0.113 0.000 2.340 163 G HA2 0.496 4.456 3.960 -0.000 0.000 0.245 163 G HA3 0.496 4.456 3.960 -0.000 0.000 0.245 163 G C -0.205 174.641 174.900 -0.089 0.000 1.294 163 G CA -0.283 44.702 45.100 -0.191 0.000 0.896 163 G HN 0.970 nan 8.290 nan 0.000 0.522 164 A N 2.052 124.838 122.820 -0.055 0.000 2.593 164 A HA 0.813 5.133 4.320 -0.000 0.000 0.290 164 A C -0.915 176.677 177.584 0.012 0.000 1.126 164 A CA -0.737 51.294 52.037 -0.010 0.000 0.695 164 A CB 1.251 20.266 19.000 0.026 0.000 1.290 164 A HN 0.727 nan 8.150 nan 0.000 0.414 165 L N 0.891 122.128 121.223 0.023 0.000 2.365 165 L HA 0.494 4.834 4.340 -0.000 0.000 0.273 165 L C 0.162 177.063 176.870 0.051 0.000 1.000 165 L CA -0.695 54.170 54.840 0.041 0.000 0.819 165 L CB 1.983 44.063 42.059 0.034 0.000 1.284 165 L HN 0.750 nan 8.230 nan 0.000 0.418 166 K N 2.000 122.441 120.400 0.068 0.000 2.349 166 K HA 0.044 4.364 4.320 -0.000 0.000 0.288 166 K C -0.664 175.983 176.600 0.077 0.000 1.058 166 K CA -0.354 55.981 56.287 0.080 0.000 0.953 166 K CB 0.653 33.209 32.500 0.094 0.000 0.997 166 K HN 0.469 nan 8.250 nan 0.000 0.477 167 D N 5.052 125.509 120.400 0.095 0.000 2.374 167 D HA 0.023 4.663 4.640 -0.000 0.000 0.240 167 D C -0.702 175.772 176.300 0.290 0.000 1.229 167 D CA 0.097 54.181 54.000 0.140 0.000 0.895 167 D CB 0.325 41.190 40.800 0.107 0.000 1.046 167 D HN 0.567 nan 8.370 nan 0.000 0.498 168 E N 2.227 122.547 120.200 0.200 0.000 2.445 168 E HA 0.351 4.701 4.350 -0.000 0.000 0.279 168 E C -0.951 175.488 176.600 -0.267 0.000 1.018 168 E CA -1.037 55.437 56.400 0.123 0.000 0.816 168 E CB 0.585 30.343 29.700 0.096 0.000 1.356 168 E HN 0.194 nan 8.360 nan 0.000 0.462 169 L N 1.560 122.485 121.223 -0.496 0.000 2.380 169 L HA 0.448 4.787 4.340 -0.000 0.000 0.273 169 L C 0.049 176.818 176.870 -0.168 0.000 1.138 169 L CA -0.483 54.085 54.840 -0.454 0.000 0.832 169 L CB 0.897 42.703 42.059 -0.420 0.000 1.124 169 L HN 0.515 nan 8.230 nan 0.000 0.454 170 V N 0.368 120.095 119.914 -0.312 0.000 3.159 170 V HA 0.494 4.613 4.120 -0.000 0.000 0.308 170 V C -0.568 174.959 176.094 -0.945 0.000 1.190 170 V CA -1.355 60.617 62.300 -0.546 0.000 1.037 170 V CB 1.823 33.456 31.823 -0.316 0.000 1.060 170 V HN 0.775 nan 8.190 nan 0.000 0.437 171 K N 0.260 119.946 120.400 -1.189 0.000 2.436 171 K HA 0.193 4.513 4.320 -0.000 0.000 0.275 171 K C 1.052 177.480 176.600 -0.287 0.000 0.999 171 K CA 0.523 56.342 56.287 -0.780 0.000 0.980 171 K CB 0.979 33.213 32.500 -0.444 0.000 0.919 171 K HN 1.023 nan 8.250 nan 0.000 0.484 172 T N -1.170 113.342 114.554 -0.070 0.000 2.897 172 T HA -0.213 4.137 4.350 -0.000 0.000 0.271 172 T C 1.331 176.100 174.700 0.116 0.000 1.084 172 T CA 1.618 63.782 62.100 0.107 0.000 1.123 172 T CB -0.301 68.725 68.868 0.263 0.000 0.865 172 T HN 0.830 nan 8.240 nan 0.000 0.496 173 D N 1.193 121.611 120.400 0.029 0.000 2.224 173 D HA -0.013 4.627 4.640 -0.000 0.000 0.205 173 D C 2.006 178.268 176.300 -0.064 0.000 0.965 173 D CA 0.697 54.706 54.000 0.014 0.000 0.852 173 D CB -0.155 40.645 40.800 0.001 0.000 0.947 173 D HN 0.402 nan 8.370 nan 0.000 0.494 174 K N -0.590 119.739 120.400 -0.118 0.000 2.555 174 K HA 0.046 4.365 4.320 -0.000 0.000 0.193 174 K C 1.089 177.566 176.600 -0.205 0.000 1.032 174 K CA 0.435 56.630 56.287 -0.152 0.000 1.004 174 K CB 0.402 32.806 32.500 -0.160 0.000 0.804 174 K HN 0.356 nan 8.250 nan 0.000 0.496 175 I N -2.051 118.357 120.570 -0.269 0.000 3.673 175 I HA -0.063 4.107 4.170 -0.000 0.000 0.281 175 I C 1.011 176.811 176.117 -0.527 0.000 1.182 175 I CA 0.185 61.212 61.300 -0.455 0.000 1.391 175 I CB 0.260 37.840 38.000 -0.700 0.000 1.383 175 I HN -0.036 nan 8.210 nan 0.000 0.456 176 Y N 1.013 121.282 120.300 -0.051 0.000 2.510 176 Y HA 0.351 4.901 4.550 -0.000 0.000 0.273 176 Y C 1.744 177.612 175.900 -0.053 0.000 1.119 176 Y CA 0.239 58.315 58.100 -0.040 0.000 1.286 176 Y CB -0.356 38.092 38.460 -0.020 0.000 1.061 176 Y HN 0.035 nan 8.280 nan 0.000 0.542 177 G N -0.124 108.689 108.800 0.022 0.000 3.434 177 G HA2 0.153 4.113 3.960 -0.000 0.000 0.197 177 G HA3 0.153 4.113 3.960 -0.000 0.000 0.197 177 G C -0.720 174.134 174.900 -0.076 0.000 1.559 177 G CA -0.635 44.457 45.100 -0.014 0.000 0.852 177 G HN -0.084 nan 8.290 nan 0.000 0.682 178 K N 1.032 121.388 120.400 -0.074 0.000 2.294 178 K HA 0.246 4.566 4.320 -0.000 0.000 0.288 178 K C 0.058 176.577 176.600 -0.135 0.000 1.072 178 K CA -0.073 56.157 56.287 -0.096 0.000 0.960 178 K CB -0.741 31.718 32.500 -0.067 0.000 1.043 178 K HN 0.194 nan 8.250 nan 0.000 0.455 179 I N 4.969 125.416 120.570 -0.204 0.000 2.668 179 I HA -0.044 4.126 4.170 -0.000 0.000 0.285 179 I C 0.331 176.343 176.117 -0.174 0.000 1.168 179 I CA 0.721 61.859 61.300 -0.271 0.000 1.424 179 I CB 0.368 38.046 38.000 -0.536 0.000 1.377 179 I HN 0.503 nan 8.210 nan 0.000 0.560 180 K N 6.451 126.774 120.400 -0.128 0.000 2.469 180 K HA 0.650 4.970 4.320 -0.000 0.000 0.254 180 K C -1.022 175.557 176.600 -0.036 0.000 0.939 180 K CA -1.110 55.138 56.287 -0.065 0.000 0.812 180 K CB 2.794 35.264 32.500 -0.051 0.000 1.301 180 K HN 0.353 nan 8.250 nan 0.000 0.433 181 K N 1.501 121.905 120.400 0.006 0.000 2.523 181 K HA 0.249 4.569 4.320 -0.000 0.000 0.257 181 K C -1.309 175.321 176.600 0.050 0.000 0.932 181 K CA -0.810 55.494 56.287 0.028 0.000 0.812 181 K CB 2.286 34.821 32.500 0.058 0.000 1.326 181 K HN 0.511 nan 8.250 nan 0.000 0.433 182 R N 3.468 124.004 120.500 0.058 0.000 2.442 182 R HA 0.114 4.454 4.340 -0.000 0.000 0.291 182 R C -0.585 175.782 176.300 0.112 0.000 1.069 182 R CA -0.465 55.691 56.100 0.094 0.000 1.022 182 R CB 0.368 30.725 30.300 0.096 0.000 0.976 182 R HN 0.474 nan 8.270 nan 0.000 0.443 183 L N 6.330 127.645 121.223 0.153 0.000 2.313 183 L HA 0.263 4.602 4.340 -0.000 0.000 0.282 183 L C -1.085 175.919 176.870 0.222 0.000 1.092 183 L CA 0.279 55.207 54.840 0.146 0.000 0.831 183 L CB 0.707 42.852 42.059 0.144 0.000 1.159 183 L HN 0.535 nan 8.230 nan 0.000 0.442 184 L N 5.087 126.406 121.223 0.159 0.000 2.309 184 L HA 0.322 4.661 4.340 -0.000 0.000 0.282 184 L C -1.014 175.978 176.870 0.202 0.000 1.036 184 L CA -0.462 54.516 54.840 0.230 0.000 0.806 184 L CB 1.113 43.269 42.059 0.162 0.000 1.220 184 L HN 0.645 nan 8.230 nan 0.000 0.429 185 W N 2.331 123.640 121.300 0.015 0.000 2.292 185 W HA 0.432 5.091 4.660 -0.000 0.000 0.352 185 W C 0.705 177.331 176.519 0.178 0.000 0.962 185 W CA -0.924 56.430 57.345 0.015 0.000 1.496 185 W CB 0.865 30.189 29.460 -0.227 0.000 1.381 185 W HN 0.461 nan 8.180 nan 0.000 0.363 186 G N 2.401 111.399 108.800 0.331 0.000 2.372 186 G HA2 0.333 4.293 3.960 -0.000 0.000 0.286 186 G HA3 0.333 4.293 3.960 -0.000 0.000 0.286 186 G C 0.280 175.374 174.900 0.322 0.000 1.153 186 G CA -0.427 44.842 45.100 0.283 0.000 0.985 186 G HN 0.350 nan 8.290 nan 0.000 0.429 187 S N 2.400 118.286 115.700 0.309 0.000 2.592 187 S HA 0.273 4.743 4.470 -0.000 0.000 0.271 187 S C 0.387 175.002 174.600 0.025 0.000 1.326 187 S CA -0.720 57.573 58.200 0.155 0.000 1.024 187 S CB 1.159 64.483 63.200 0.206 0.000 0.921 187 S HN 0.727 nan 8.310 nan 0.000 0.527 188 D N 1.667 122.016 120.400 -0.085 0.000 2.344 188 D HA 0.003 4.643 4.640 -0.000 0.000 0.244 188 D C 1.206 177.481 176.300 -0.043 0.000 1.134 188 D CA -0.676 53.285 54.000 -0.064 0.000 0.930 188 D CB 0.856 41.621 40.800 -0.058 0.000 1.175 188 D HN 0.484 nan 8.370 nan 0.000 0.437 189 L N 2.215 123.400 121.223 -0.064 0.000 2.131 189 L HA -0.099 4.240 4.340 -0.000 0.000 0.210 189 L C 2.367 179.216 176.870 -0.035 0.000 1.092 189 L CA 2.099 56.895 54.840 -0.073 0.000 0.759 189 L CB -0.720 41.240 42.059 -0.165 0.000 0.903 189 L HN 0.659 nan 8.230 nan 0.000 0.435 190 A N -1.466 121.339 122.820 -0.025 0.000 1.898 190 A HA -0.177 4.142 4.320 -0.000 0.000 0.216 190 A C 2.252 179.855 177.584 0.032 0.000 1.181 190 A CA 2.181 54.226 52.037 0.015 0.000 0.620 190 A CB -1.154 17.853 19.000 0.011 0.000 0.819 190 A HN 0.493 nan 8.150 nan 0.000 0.442 191 T N 0.324 114.884 114.554 0.011 0.000 2.746 191 T HA -0.162 4.187 4.350 -0.000 0.000 0.267 191 T C 1.950 176.689 174.700 0.065 0.000 1.039 191 T CA 1.771 63.891 62.100 0.032 0.000 1.142 191 T CB -0.372 68.493 68.868 -0.006 0.000 0.866 191 T HN 0.446 nan 8.240 nan 0.000 0.444 192 M N 0.610 120.248 119.600 0.064 0.000 2.082 192 M HA -0.100 4.380 4.480 -0.000 0.000 0.258 192 M C 2.217 178.568 176.300 0.085 0.000 1.071 192 M CA 1.623 56.975 55.300 0.087 0.000 1.103 192 M CB -0.642 32.005 32.600 0.078 0.000 1.307 192 M HN 0.139 nan 8.290 nan 0.000 0.409 193 I N 0.152 120.772 120.570 0.083 0.000 2.208 193 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 193 I C 2.484 178.621 176.117 0.034 0.000 1.097 193 I CA 1.779 63.142 61.300 0.105 0.000 1.363 193 I CB -1.247 36.866 38.000 0.188 0.000 1.051 193 I HN 0.367 nan 8.210 nan 0.000 0.413 194 R N -0.366 120.147 120.500 0.022 0.000 2.092 194 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 194 R C 2.484 178.699 176.300 -0.142 0.000 1.119 194 R CA 1.487 57.559 56.100 -0.047 0.000 0.970 194 R CB -0.454 29.889 30.300 0.072 0.000 0.864 194 R HN 0.359 nan 8.270 nan 0.000 0.440 195 C N 0.135 119.421 119.300 -0.023 0.000 2.429 195 C HA -0.045 4.415 4.460 -0.000 0.000 0.277 195 C C 2.926 177.875 174.990 -0.068 0.000 1.262 195 C CA 0.783 59.817 59.018 0.027 0.000 1.733 195 C CB -0.885 26.960 27.740 0.175 0.000 2.010 195 C HN 0.578 nan 8.230 nan 0.000 0.483 196 A N 0.835 123.639 122.820 -0.027 0.000 1.877 196 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 196 A C 2.280 179.792 177.584 -0.120 0.000 1.186 196 A CA 1.370 53.413 52.037 0.010 0.000 0.620 196 A CB -0.455 18.711 19.000 0.277 0.000 0.822 196 A HN 0.583 nan 8.150 nan 0.000 0.443 197 R N -0.345 119.994 120.500 -0.269 0.000 2.081 197 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 197 R C 2.446 178.301 176.300 -0.741 0.000 1.131 197 R CA 1.445 57.183 56.100 -0.605 0.000 0.960 197 R CB -1.038 28.456 30.300 -1.344 0.000 0.856 197 R HN 0.531 nan 8.270 nan 0.000 0.436 198 A N 0.473 122.819 122.820 -0.791 0.000 1.873 198 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 198 A C 1.366 178.463 177.584 -0.812 0.000 1.186 198 A CA 1.268 52.849 52.037 -0.759 0.000 0.616 198 A CB -0.226 18.067 19.000 -1.179 0.000 0.823 198 A HN 0.273 nan 8.150 nan 0.000 0.442 199 F N -1.198 118.620 119.950 -0.219 0.000 2.746 199 F HA 0.299 4.825 4.527 -0.000 0.000 0.320 199 F C 2.150 177.673 175.800 -0.462 0.000 1.097 199 F CA -0.510 57.343 58.000 -0.245 0.000 1.195 199 F CB -0.641 38.258 39.000 -0.168 0.000 1.056 199 F HN 0.202 nan 8.300 nan 0.000 0.562 200 G N 0.984 109.359 108.800 -0.709 0.000 2.586 200 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 200 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 200 G C 2.029 176.049 174.900 -1.466 0.000 1.216 200 G CA 1.167 45.186 45.100 -1.801 0.000 0.786 200 G HN 0.465 nan 8.290 nan 0.000 0.583 201 G N 0.274 108.426 108.800 -1.081 0.000 2.443 201 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.219 201 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.219 201 G C 1.737 176.573 174.900 -0.108 0.000 1.131 201 G CA 1.011 45.925 45.100 -0.309 0.000 0.775 201 G HN 0.452 nan 8.290 nan 0.000 0.547 202 L N 0.261 121.421 121.223 -0.105 0.000 2.056 202 L HA 0.139 4.479 4.340 -0.000 0.000 0.207 202 L C 2.770 179.632 176.870 -0.013 0.000 1.078 202 L CA 1.642 56.487 54.840 0.009 0.000 0.749 202 L CB -0.415 41.702 42.059 0.097 0.000 0.901 202 L HN 0.227 nan 8.230 nan 0.000 0.433 203 M N -0.563 118.992 119.600 -0.076 0.000 2.080 203 M HA -0.229 4.250 4.480 -0.000 0.000 0.260 203 M C 1.903 178.201 176.300 -0.002 0.000 1.068 203 M CA 1.954 57.222 55.300 -0.054 0.000 1.109 203 M CB -0.669 31.872 32.600 -0.099 0.000 1.342 203 M HN 0.232 nan 8.290 nan 0.000 0.405 204 D N 0.254 120.660 120.400 0.011 0.000 2.126 204 D HA -0.214 4.426 4.640 -0.000 0.000 0.190 204 D C 1.873 178.231 176.300 0.096 0.000 1.001 204 D CA 1.569 55.633 54.000 0.107 0.000 0.841 204 D CB -0.311 40.609 40.800 0.200 0.000 0.949 204 D HN 0.282 nan 8.370 nan 0.000 0.446 205 E N 0.149 120.407 120.200 0.096 0.000 2.110 205 E HA -0.090 4.259 4.350 -0.000 0.000 0.193 205 E C 2.196 178.902 176.600 0.178 0.000 0.988 205 E CA 0.672 57.156 56.400 0.141 0.000 0.804 205 E CB -0.355 29.416 29.700 0.119 0.000 0.745 205 E HN 0.290 nan 8.360 nan 0.000 0.458 206 L N -0.028 121.250 121.223 0.093 0.000 2.093 206 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 206 L C 2.438 179.353 176.870 0.075 0.000 1.085 206 L CA 1.299 56.184 54.840 0.075 0.000 0.755 206 L CB -0.261 41.815 42.059 0.029 0.000 0.904 206 L HN 0.059 nan 8.230 nan 0.000 0.435 207 K N 0.047 120.479 120.400 0.052 0.000 2.057 207 K HA -0.112 4.207 4.320 -0.000 0.000 0.206 207 K C 2.184 178.788 176.600 0.008 0.000 1.050 207 K CA 1.261 57.564 56.287 0.027 0.000 0.935 207 K CB -0.280 32.241 32.500 0.035 0.000 0.715 207 K HN 0.258 nan 8.250 nan 0.000 0.439 208 A N 0.902 123.726 122.820 0.006 0.000 2.076 208 A HA -0.168 4.151 4.320 -0.000 0.000 0.220 208 A C 0.983 178.368 177.584 -0.332 0.000 1.160 208 A CA 1.342 53.299 52.037 -0.133 0.000 0.653 208 A CB -0.425 18.494 19.000 -0.135 0.000 0.801 208 A HN 0.351 nan 8.150 nan 0.000 0.455 209 H N -1.489 117.571 119.070 -0.018 0.000 2.510 209 H HA 0.085 4.641 4.556 -0.000 0.000 0.266 209 H C 1.418 176.714 175.328 -0.053 0.000 1.146 209 H CA 0.355 56.383 56.048 -0.033 0.000 0.993 209 H CB -0.195 29.549 29.762 -0.030 0.000 1.727 209 H HN 0.719 nan 8.280 nan 0.000 0.590 210 C N -1.328 117.976 119.300 0.008 0.000 2.491 210 C HA 0.083 4.543 4.460 -0.000 0.000 0.277 210 C C 2.148 177.098 174.990 -0.066 0.000 1.455 210 C CA -0.323 58.680 59.018 -0.026 0.000 1.758 210 C CB -1.457 26.267 27.740 -0.026 0.000 1.745 210 C HN 0.190 nan 8.230 nan 0.000 0.558 211 V N 1.688 121.559 119.914 -0.071 0.000 2.331 211 V HA -0.107 4.013 4.120 -0.000 0.000 0.242 211 V C 2.867 178.895 176.094 -0.110 0.000 1.034 211 V CA 2.604 64.842 62.300 -0.104 0.000 1.027 211 V CB -1.013 30.752 31.823 -0.097 0.000 0.667 211 V HN 0.561 nan 8.190 nan 0.000 0.457 212 T N 0.340 114.859 114.554 -0.059 0.000 2.821 212 T HA 0.017 4.367 4.350 -0.000 0.000 0.267 212 T C 0.572 175.210 174.700 -0.103 0.000 1.046 212 T CA 0.802 62.868 62.100 -0.056 0.000 1.139 212 T CB -0.141 68.743 68.868 0.026 0.000 0.871 212 T HN -0.036 nan 8.240 nan 0.000 0.454 213 L N 1.366 122.532 121.223 -0.095 0.000 2.343 213 L HA 0.362 4.702 4.340 -0.000 0.000 0.275 213 L C -1.678 175.028 176.870 -0.274 0.000 1.056 213 L CA -2.601 52.144 54.840 -0.157 0.000 0.804 213 L CB 1.245 43.266 42.059 -0.063 0.000 1.203 213 L HN -0.155 nan 8.230 nan 0.000 0.440 214 P HA -0.014 nan 4.420 nan 0.000 0.225 214 P C 0.243 177.371 177.300 -0.288 0.000 1.148 214 P CA 0.987 63.766 63.100 -0.535 0.000 0.779 214 P CB 0.133 31.305 31.700 -0.880 0.000 0.780 215 I N 0.777 121.240 120.570 -0.178 0.000 2.406 215 I HA 0.066 4.236 4.170 -0.000 0.000 0.293 215 I C 1.399 177.480 176.117 -0.060 0.000 1.101 215 I CA -0.083 61.199 61.300 -0.031 0.000 1.334 215 I CB 0.460 38.477 38.000 0.028 0.000 1.421 215 I HN -0.214 nan 8.210 nan 0.000 0.513 216 R N 4.747 125.232 120.500 -0.024 0.000 2.359 216 R HA 0.129 4.469 4.340 -0.000 0.000 0.231 216 R C 0.277 176.552 176.300 -0.043 0.000 0.913 216 R CA -0.138 55.986 56.100 0.039 0.000 1.075 216 R CB -0.296 30.169 30.300 0.276 0.000 1.087 216 R HN 0.547 nan 8.270 nan 0.000 0.515 217 V N 0.325 120.041 119.914 -0.329 0.000 2.557 217 V HA 0.344 4.464 4.120 -0.000 0.000 0.301 217 V C 1.098 177.135 176.094 -0.095 0.000 1.026 217 V CA 1.391 63.414 62.300 -0.462 0.000 1.137 217 V CB 0.476 31.909 31.823 -0.650 0.000 0.917 217 V HN 0.694 nan 8.190 nan 0.000 0.484 218 G N 4.146 112.969 108.800 0.039 0.000 2.195 218 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.224 218 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.224 218 G C 0.185 175.115 174.900 0.049 0.000 0.990 218 G CA 0.136 45.268 45.100 0.053 0.000 0.639 218 G HN 1.769 nan 8.290 nan 0.000 0.514 219 M N 1.134 120.773 119.600 0.065 0.000 2.248 219 M HA 0.578 5.057 4.480 -0.000 0.000 0.337 219 M C 0.239 176.531 176.300 -0.012 0.000 1.121 219 M CA 0.264 55.573 55.300 0.016 0.000 1.155 219 M CB 0.236 32.849 32.600 0.023 0.000 1.514 219 M HN 0.401 nan 8.290 nan 0.000 0.452 220 N N 2.885 121.544 118.700 -0.068 0.000 2.477 220 N HA 0.438 5.178 4.740 -0.000 0.000 0.284 220 N C -0.256 175.115 175.510 -0.231 0.000 1.182 220 N CA -0.863 52.117 53.050 -0.118 0.000 0.949 220 N CB 0.987 39.424 38.487 -0.083 0.000 1.204 220 N HN 0.827 nan 8.380 nan 0.000 0.526 221 M N 0.472 119.824 119.600 -0.414 0.000 2.486 221 M HA 0.159 4.639 4.480 -0.000 0.000 0.264 221 M C 1.079 177.061 176.300 -0.530 0.000 1.125 221 M CA 0.868 55.776 55.300 -0.653 0.000 1.144 221 M CB -1.027 30.736 32.600 -1.395 0.000 1.353 221 M HN 0.852 nan 8.290 nan 0.000 0.466 222 N N -0.818 117.667 118.700 -0.358 0.000 2.244 222 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 222 N C 1.691 177.136 175.510 -0.109 0.000 1.016 222 N CA 1.645 54.620 53.050 -0.126 0.000 0.866 222 N CB -0.097 38.370 38.487 -0.033 0.000 0.980 222 N HN 0.547 nan 8.380 nan 0.000 0.430 223 E N -0.764 119.363 120.200 -0.122 0.000 2.520 223 E HA -0.007 4.343 4.350 -0.000 0.000 0.201 223 E C 0.678 177.204 176.600 -0.123 0.000 0.894 223 E CA 0.061 56.405 56.400 -0.092 0.000 1.161 223 E CB 0.206 29.866 29.700 -0.065 0.000 1.137 223 E HN 0.181 nan 8.360 nan 0.000 0.510 224 D N 0.671 120.979 120.400 -0.153 0.000 2.117 224 D HA -0.087 4.552 4.640 -0.000 0.000 0.198 224 D C 1.791 177.910 176.300 -0.301 0.000 0.982 224 D CA 1.281 55.170 54.000 -0.184 0.000 0.828 224 D CB -0.634 40.073 40.800 -0.155 0.000 0.967 224 D HN 0.326 nan 8.370 nan 0.000 0.464 225 G N 2.079 110.650 108.800 -0.382 0.000 2.586 225 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 225 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 225 G C -0.723 173.734 174.900 -0.738 0.000 1.216 225 G CA 0.931 45.587 45.100 -0.740 0.000 0.786 225 G HN 0.293 nan 8.290 nan 0.000 0.583 226 P HA -0.085 nan 4.420 nan 0.000 0.216 226 P C 1.920 179.215 177.300 -0.008 0.000 1.153 226 P CA 0.986 64.108 63.100 0.036 0.000 0.858 226 P CB -0.101 31.643 31.700 0.073 0.000 0.789 227 I N -1.764 118.746 120.570 -0.100 0.000 2.252 227 I HA -0.194 3.975 4.170 -0.000 0.000 0.245 227 I C 2.246 178.272 176.117 -0.152 0.000 1.102 227 I CA 1.253 62.499 61.300 -0.090 0.000 1.385 227 I CB -0.488 37.456 38.000 -0.094 0.000 1.064 227 I HN -0.121 nan 8.210 nan 0.000 0.414 228 I N 0.096 120.503 120.570 -0.271 0.000 2.202 228 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 228 I C 2.286 178.315 176.117 -0.146 0.000 1.091 228 I CA 1.458 62.586 61.300 -0.287 0.000 1.368 228 I CB -0.346 37.415 38.000 -0.399 0.000 1.058 228 I HN 0.057 nan 8.210 nan 0.000 0.410 229 F N 0.726 120.610 119.950 -0.110 0.000 2.186 229 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 229 F C 2.598 178.031 175.800 -0.611 0.000 1.090 229 F CA 1.002 58.843 58.000 -0.266 0.000 1.307 229 F CB -1.028 37.889 39.000 -0.138 0.000 1.019 229 F HN 0.112 nan 8.300 nan 0.000 0.489 230 E N 0.883 120.912 120.200 -0.286 0.000 2.077 230 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 230 E C 2.366 178.825 176.600 -0.236 0.000 0.989 230 E CA 0.870 57.045 56.400 -0.375 0.000 0.800 230 E CB -0.003 29.715 29.700 0.029 0.000 0.746 230 E HN 0.303 nan 8.360 nan 0.000 0.452 231 R N -0.134 120.271 120.500 -0.157 0.000 2.091 231 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 231 R C 2.321 178.573 176.300 -0.081 0.000 1.136 231 R CA 1.060 57.087 56.100 -0.122 0.000 0.959 231 R CB -0.941 29.253 30.300 -0.175 0.000 0.856 231 R HN 0.434 nan 8.270 nan 0.000 0.437 232 H N 0.903 119.876 119.070 -0.161 0.000 2.353 232 H HA -0.093 4.463 4.556 -0.000 0.000 0.298 232 H C 2.260 177.574 175.328 -0.023 0.000 1.103 232 H CA 2.129 58.097 56.048 -0.132 0.000 1.293 232 H CB -0.143 29.456 29.762 -0.271 0.000 1.372 232 H HN 0.281 nan 8.280 nan 0.000 0.501 233 S N 0.789 116.372 115.700 -0.196 0.000 2.507 233 S HA -0.069 4.401 4.470 -0.000 0.000 0.235 233 S C 1.916 176.537 174.600 0.036 0.000 0.988 233 S CA 0.524 58.594 58.200 -0.216 0.000 0.944 233 S CB -0.130 62.752 63.200 -0.529 0.000 0.762 233 S HN 0.324 nan 8.310 nan 0.000 0.526 234 R N -0.705 119.809 120.500 0.023 0.000 2.275 234 R HA 0.217 4.557 4.340 -0.000 0.000 0.199 234 R C -0.314 175.847 176.300 -0.233 0.000 0.989 234 R CA 0.303 56.345 56.100 -0.097 0.000 1.016 234 R CB -0.043 30.145 30.300 -0.187 0.000 0.918 234 R HN 0.465 nan 8.270 nan 0.000 0.473 235 Y N 0.289 120.564 120.300 -0.042 0.000 2.354 235 Y HA 0.112 4.662 4.550 -0.000 0.000 0.322 235 Y C 1.459 177.229 175.900 -0.215 0.000 1.253 235 Y CA -0.394 57.633 58.100 -0.122 0.000 1.272 235 Y CB 0.990 39.365 38.460 -0.141 0.000 1.255 235 Y HN -0.297 nan 8.280 nan 0.000 0.500 236 K N 0.586 120.855 120.400 -0.218 0.000 2.116 236 K HA 0.003 4.322 4.320 -0.000 0.000 0.203 236 K C -0.839 175.346 176.600 -0.692 0.000 1.052 236 K CA 1.050 57.042 56.287 -0.491 0.000 0.952 236 K CB 0.159 32.208 32.500 -0.752 0.000 0.729 236 K HN 0.578 nan 8.250 nan 0.000 0.446 237 Y N -0.184 119.903 120.300 -0.355 0.000 2.485 237 Y HA 0.399 4.948 4.550 -0.000 0.000 0.345 237 Y C -0.385 175.172 175.900 -0.571 0.000 0.998 237 Y CA -1.092 56.819 58.100 -0.315 0.000 1.059 237 Y CB 1.723 40.151 38.460 -0.053 0.000 1.234 237 Y HN -0.008 nan 8.280 nan 0.000 0.461 238 H N 2.004 121.235 119.070 0.268 0.000 2.954 238 H HA 0.391 4.947 4.556 -0.000 0.000 0.361 238 H C -1.550 173.891 175.328 0.188 0.000 1.122 238 H CA -0.953 55.165 56.048 0.116 0.000 1.217 238 H CB 2.348 32.125 29.762 0.025 0.000 1.776 238 H HN 0.787 nan 8.280 nan 0.000 0.533 239 Y N -0.297 120.096 120.300 0.155 0.000 2.655 239 Y HA 0.446 4.996 4.550 -0.000 0.000 0.336 239 Y C -1.235 174.702 175.900 0.061 0.000 1.154 239 Y CA -1.206 56.949 58.100 0.093 0.000 1.055 239 Y CB 1.688 40.195 38.460 0.078 0.000 1.295 239 Y HN 0.437 nan 8.280 nan 0.000 0.465 240 D N 0.920 121.452 120.400 0.220 0.000 2.978 240 D HA 0.389 5.029 4.640 -0.000 0.000 0.268 240 D C -0.495 175.892 176.300 0.145 0.000 1.252 240 D CA -0.210 53.853 54.000 0.104 0.000 0.771 240 D CB 0.255 41.064 40.800 0.014 0.000 1.361 240 D HN 0.992 nan 8.370 nan 0.000 0.558 241 A N 0.794 123.746 122.820 0.220 0.000 2.555 241 A HA 0.252 4.572 4.320 -0.000 0.000 0.233 241 A C 0.156 177.647 177.584 -0.155 0.000 1.060 241 A CA 0.288 52.290 52.037 -0.058 0.000 0.759 241 A CB 0.365 19.196 19.000 -0.281 0.000 0.995 241 A HN 0.427 nan 8.150 nan 0.000 0.506 242 D N 0.187 120.441 120.400 -0.243 0.000 2.217 242 D HA 0.501 5.140 4.640 -0.000 0.000 0.243 242 D C -1.547 174.589 176.300 -0.273 0.000 1.054 242 D CA 0.120 54.035 54.000 -0.140 0.000 0.838 242 D CB 0.779 41.548 40.800 -0.051 0.000 1.162 242 D HN 0.383 nan 8.370 nan 0.000 0.472 243 Y N 1.022 121.396 120.300 0.122 0.000 2.328 243 Y HA 0.243 4.793 4.550 -0.000 0.000 0.337 243 Y C 0.806 176.789 175.900 0.139 0.000 0.966 243 Y CA -0.730 57.472 58.100 0.170 0.000 1.136 243 Y CB 1.676 40.340 38.460 0.340 0.000 1.170 243 Y HN 0.111 nan 8.280 nan 0.000 0.470 244 S N 3.766 119.596 115.700 0.216 0.000 2.549 244 S HA 0.194 4.664 4.470 -0.000 0.000 0.279 244 S C 0.321 175.006 174.600 0.142 0.000 1.321 244 S CA -0.721 57.562 58.200 0.138 0.000 1.054 244 S CB 0.213 63.456 63.200 0.071 0.000 0.899 244 S HN 0.736 nan 8.310 nan 0.000 0.497 245 R N 0.761 121.326 120.500 0.108 0.000 3.322 245 R HA -0.202 4.137 4.340 -0.000 0.000 0.253 245 R C 0.828 177.145 176.300 0.028 0.000 0.987 245 R CA 0.528 56.655 56.100 0.044 0.000 0.666 245 R CB -1.632 28.648 30.300 -0.034 0.000 1.072 245 R HN 0.880 nan 8.270 nan 0.000 0.447 246 W N 1.595 122.849 121.300 -0.078 0.000 2.317 246 W HA -0.268 4.392 4.660 -0.000 0.000 0.318 246 W C 1.144 177.523 176.519 -0.234 0.000 1.227 246 W CA 2.258 59.515 57.345 -0.146 0.000 1.269 246 W CB -0.254 29.131 29.460 -0.124 0.000 1.155 246 W HN 0.284 nan 8.180 nan 0.000 0.484 247 D N 0.144 120.550 120.400 0.010 0.000 2.123 247 D HA -0.209 4.430 4.640 -0.000 0.000 0.196 247 D C 2.426 178.429 176.300 -0.495 0.000 0.992 247 D CA 2.609 56.507 54.000 -0.171 0.000 0.833 247 D CB -0.853 39.940 40.800 -0.011 0.000 0.954 247 D HN 0.246 nan 8.370 nan 0.000 0.455 248 S N -0.283 114.977 115.700 -0.733 0.000 2.442 248 S HA -0.126 4.344 4.470 -0.000 0.000 0.236 248 S C 1.842 176.008 174.600 -0.723 0.000 1.007 248 S CA 1.630 59.038 58.200 -1.319 0.000 0.965 248 S CB -0.611 61.918 63.200 -1.119 0.000 0.773 248 S HN 0.353 nan 8.310 nan 0.000 0.504 249 T N -2.154 112.076 114.554 -0.541 0.000 3.086 249 T HA 0.226 4.576 4.350 -0.000 0.000 0.250 249 T C 0.514 174.912 174.700 -0.504 0.000 1.074 249 T CA -0.435 61.399 62.100 -0.443 0.000 0.988 249 T CB -0.151 68.492 68.868 -0.376 0.000 0.988 249 T HN 0.156 nan 8.240 nan 0.000 0.530 250 Q N 2.095 121.542 119.800 -0.589 0.000 2.395 250 Q HA 0.275 4.615 4.340 -0.000 0.000 0.271 250 Q C -0.252 175.547 176.000 -0.335 0.000 1.026 250 Q CA 0.556 56.035 55.803 -0.541 0.000 0.900 250 Q CB 0.547 28.952 28.738 -0.555 0.000 1.266 250 Q HN 0.621 nan 8.270 nan 0.000 0.430 251 Q N 1.903 121.530 119.800 -0.289 0.000 2.293 251 Q HA 0.291 4.631 4.340 -0.000 0.000 0.261 251 Q C 0.835 176.755 176.000 -0.134 0.000 0.960 251 Q CA -0.799 54.894 55.803 -0.184 0.000 0.882 251 Q CB 1.555 30.186 28.738 -0.178 0.000 1.275 251 Q HN 0.305 nan 8.270 nan 0.000 0.445 252 R N 1.261 121.719 120.500 -0.071 0.000 2.127 252 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 252 R C 1.747 178.046 176.300 -0.002 0.000 1.134 252 R CA 1.402 57.498 56.100 -0.006 0.000 0.975 252 R CB -0.669 29.645 30.300 0.024 0.000 0.865 252 R HN 0.761 nan 8.270 nan 0.000 0.447 253 A N 0.518 123.314 122.820 -0.039 0.000 1.940 253 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 253 A C 2.427 179.978 177.584 -0.054 0.000 1.176 253 A CA 1.661 53.670 52.037 -0.045 0.000 0.631 253 A CB -0.378 18.581 19.000 -0.068 0.000 0.814 253 A HN 0.127 nan 8.150 nan 0.000 0.446 254 V N -0.239 119.622 119.914 -0.088 0.000 2.535 254 V HA -0.116 4.004 4.120 -0.000 0.000 0.246 254 V C 2.435 178.521 176.094 -0.014 0.000 1.045 254 V CA 1.326 63.567 62.300 -0.099 0.000 1.058 254 V CB -0.568 31.145 31.823 -0.184 0.000 0.689 254 V HN 0.540 nan 8.190 nan 0.000 0.461 255 L N 0.213 121.453 121.223 0.028 0.000 2.141 255 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 255 L C 2.720 179.794 176.870 0.340 0.000 1.094 255 L CA 1.395 56.379 54.840 0.240 0.000 0.763 255 L CB -0.734 41.442 42.059 0.195 0.000 0.908 255 L HN 0.381 nan 8.230 nan 0.000 0.437 256 A N 0.241 123.150 122.820 0.148 0.000 1.877 256 A HA -0.160 4.159 4.320 -0.000 0.000 0.216 256 A C 2.565 180.166 177.584 0.028 0.000 1.186 256 A CA 1.658 53.737 52.037 0.070 0.000 0.620 256 A CB -0.647 18.372 19.000 0.033 0.000 0.822 256 A HN 0.383 nan 8.150 nan 0.000 0.443 257 A N -0.090 122.739 122.820 0.015 0.000 1.908 257 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 257 A C 2.509 180.093 177.584 -0.001 0.000 1.181 257 A CA 2.293 54.322 52.037 -0.013 0.000 0.627 257 A CB -1.039 17.937 19.000 -0.041 0.000 0.818 257 A HN 1.070 nan 8.150 nan 0.000 0.445 258 A N -0.519 122.336 122.820 0.058 0.000 1.877 258 A HA -0.028 4.291 4.320 -0.000 0.000 0.216 258 A C 2.200 179.783 177.584 -0.002 0.000 1.186 258 A CA 1.492 53.589 52.037 0.099 0.000 0.620 258 A CB -0.599 18.577 19.000 0.294 0.000 0.822 258 A HN 0.464 nan 8.150 nan 0.000 0.443 259 L N -0.756 120.405 121.223 -0.104 0.000 2.083 259 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 259 L C 2.592 179.363 176.870 -0.165 0.000 1.083 259 L CA 1.521 56.153 54.840 -0.347 0.000 0.752 259 L CB -0.464 41.285 42.059 -0.516 0.000 0.899 259 L HN 0.491 nan 8.230 nan 0.000 0.433 260 E N 0.125 120.278 120.200 -0.077 0.000 2.097 260 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 260 E C 2.172 178.761 176.600 -0.018 0.000 1.000 260 E CA 1.597 57.973 56.400 -0.039 0.000 0.804 260 E CB -0.154 29.526 29.700 -0.032 0.000 0.740 260 E HN 0.490 nan 8.360 nan 0.000 0.454 261 I N 0.265 120.835 120.570 -0.000 0.000 2.252 261 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 261 I C 2.383 178.602 176.117 0.169 0.000 1.102 261 I CA 0.951 62.306 61.300 0.091 0.000 1.385 261 I CB -0.127 37.911 38.000 0.065 0.000 1.064 261 I HN 0.150 nan 8.210 nan 0.000 0.414 262 M N -0.319 119.296 119.600 0.026 0.000 2.086 262 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 262 M C 2.417 178.808 176.300 0.152 0.000 1.067 262 M CA 1.528 56.826 55.300 -0.003 0.000 1.116 262 M CB -0.441 31.921 32.600 -0.396 0.000 1.348 262 M HN 0.069 nan 8.290 nan 0.000 0.407 263 V N 0.738 120.728 119.914 0.127 0.000 2.287 263 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 263 V C 2.364 178.508 176.094 0.084 0.000 1.053 263 V CA 2.147 64.558 62.300 0.185 0.000 1.027 263 V CB -0.784 31.102 31.823 0.105 0.000 0.646 263 V HN 0.482 nan 8.190 nan 0.000 0.447 264 K N -0.457 119.936 120.400 -0.013 0.000 2.074 264 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 264 K C 1.583 178.003 176.600 -0.299 0.000 1.048 264 K CA 2.104 58.262 56.287 -0.216 0.000 0.926 264 K CB -0.214 32.052 32.500 -0.391 0.000 0.713 264 K HN 0.471 nan 8.250 nan 0.000 0.444 265 F N 0.999 120.973 119.950 0.041 0.000 2.660 265 F HA 0.131 4.658 4.527 -0.000 0.000 0.302 265 F C 0.717 176.557 175.800 0.066 0.000 1.103 265 F CA -0.490 57.536 58.000 0.042 0.000 1.340 265 F CB 0.268 39.283 39.000 0.025 0.000 1.048 265 F HN -0.051 nan 8.300 nan 0.000 0.551 266 S N -0.646 115.179 115.700 0.208 0.000 2.614 266 S HA 0.113 4.583 4.470 -0.000 0.000 0.265 266 S C 1.461 176.129 174.600 0.113 0.000 1.303 266 S CA -0.086 58.219 58.200 0.174 0.000 1.000 266 S CB 1.335 64.643 63.200 0.180 0.000 0.935 266 S HN 0.247 nan 8.310 nan 0.000 0.551 267 S N 0.188 115.942 115.700 0.089 0.000 2.447 267 S HA 0.008 4.477 4.470 -0.000 0.000 0.233 267 S C 0.236 174.895 174.600 0.099 0.000 1.006 267 S CA 0.526 58.783 58.200 0.095 0.000 0.957 267 S CB -0.596 62.664 63.200 0.100 0.000 0.773 267 S HN 0.840 nan 8.310 nan 0.000 0.507 268 E N 1.097 121.338 120.200 0.067 0.000 3.132 268 E HA 0.301 4.651 4.350 -0.000 0.000 0.241 268 E C -2.438 174.119 176.600 -0.071 0.000 1.196 268 E CA -1.860 54.541 56.400 0.001 0.000 0.869 268 E CB 1.623 31.248 29.700 -0.126 0.000 1.387 268 E HN 0.147 nan 8.360 nan 0.000 0.393 269 P HA -0.268 nan 4.420 nan 0.000 0.217 269 P C 1.150 178.475 177.300 0.042 0.000 1.151 269 P CA 1.337 64.477 63.100 0.068 0.000 0.849 269 P CB 0.054 31.798 31.700 0.074 0.000 0.787 270 H N -1.331 117.701 119.070 -0.064 0.000 2.457 270 H HA 0.026 4.582 4.556 -0.000 0.000 0.294 270 H C 1.792 177.039 175.328 -0.135 0.000 1.064 270 H CA 0.959 56.956 56.048 -0.086 0.000 1.330 270 H CB -1.314 28.396 29.762 -0.085 0.000 1.395 270 H HN 0.189 nan 8.280 nan 0.000 0.541 271 L N 0.300 121.141 121.223 -0.637 0.000 2.145 271 L HA 0.177 4.517 4.340 -0.000 0.000 0.201 271 L C 3.011 179.679 176.870 -0.337 0.000 1.075 271 L CA 0.721 55.172 54.840 -0.647 0.000 0.773 271 L CB -0.480 40.891 42.059 -1.148 0.000 0.936 271 L HN 0.293 nan 8.230 nan 0.000 0.451 272 A N -0.125 122.572 122.820 -0.205 0.000 2.019 272 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 272 A C 2.179 179.739 177.584 -0.039 0.000 1.164 272 A CA 1.719 53.651 52.037 -0.174 0.000 0.644 272 A CB -0.471 18.396 19.000 -0.220 0.000 0.805 272 A HN 0.394 nan 8.150 nan 0.000 0.449 273 Q N 0.153 119.940 119.800 -0.022 0.000 2.135 273 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 273 Q C 1.800 177.800 176.000 -0.000 0.000 0.981 273 Q CA 2.344 58.152 55.803 0.009 0.000 0.856 273 Q CB -0.671 28.067 28.738 -0.001 0.000 0.902 273 Q HN 0.363 nan 8.270 nan 0.000 0.425 274 V N -0.681 119.213 119.914 -0.033 0.000 2.379 274 V HA -0.187 3.932 4.120 -0.000 0.000 0.245 274 V C 2.278 178.377 176.094 0.009 0.000 1.044 274 V CA 1.423 63.708 62.300 -0.024 0.000 1.036 274 V CB -0.481 31.305 31.823 -0.061 0.000 0.664 274 V HN 0.246 nan 8.190 nan 0.000 0.453 275 V N 0.608 120.535 119.914 0.021 0.000 2.343 275 V HA -0.261 3.858 4.120 -0.000 0.000 0.247 275 V C 2.724 178.863 176.094 0.075 0.000 1.051 275 V CA 2.023 64.357 62.300 0.058 0.000 1.036 275 V CB -1.260 30.580 31.823 0.028 0.000 0.654 275 V HN 0.549 nan 8.190 nan 0.000 0.451 276 A N -0.120 122.752 122.820 0.087 0.000 1.902 276 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 276 A C 2.180 179.751 177.584 -0.021 0.000 1.181 276 A CA 1.880 53.924 52.037 0.012 0.000 0.623 276 A CB -0.472 18.544 19.000 0.027 0.000 0.818 276 A HN 0.636 nan 8.150 nan 0.000 0.443 277 E N 0.006 120.211 120.200 0.009 0.000 2.038 277 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 277 E C 1.536 178.160 176.600 0.040 0.000 1.000 277 E CA 1.297 57.708 56.400 0.019 0.000 0.803 277 E CB -0.309 29.401 29.700 0.016 0.000 0.750 277 E HN 0.526 nan 8.360 nan 0.000 0.448 278 D N 0.701 121.129 120.400 0.046 0.000 2.149 278 D HA -0.140 4.499 4.640 -0.000 0.000 0.198 278 D C 2.025 178.390 176.300 0.108 0.000 0.990 278 D CA 0.862 54.904 54.000 0.069 0.000 0.839 278 D CB -0.165 40.673 40.800 0.062 0.000 0.948 278 D HN 0.170 nan 8.370 nan 0.000 0.460 279 L N -0.167 121.111 121.223 0.092 0.000 2.156 279 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 279 L C 2.066 179.060 176.870 0.207 0.000 1.095 279 L CA 0.254 55.183 54.840 0.149 0.000 0.770 279 L CB -0.067 41.975 42.059 -0.030 0.000 0.914 279 L HN 0.062 nan 8.230 nan 0.000 0.439 280 L N -0.788 120.509 121.223 0.124 0.000 2.270 280 L HA 0.082 4.422 4.340 -0.000 0.000 0.210 280 L C 1.338 178.288 176.870 0.132 0.000 1.104 280 L CA 0.864 55.793 54.840 0.149 0.000 0.804 280 L CB -0.659 41.452 42.059 0.087 0.000 0.937 280 L HN 0.050 nan 8.230 nan 0.000 0.450 281 S N 0.541 116.311 115.700 0.117 0.000 2.560 281 S HA 0.088 4.558 4.470 -0.000 0.000 0.284 281 S C -2.111 172.568 174.600 0.132 0.000 1.327 281 S CA -0.829 57.434 58.200 0.105 0.000 1.055 281 S CB 0.319 63.573 63.200 0.089 0.000 0.868 281 S HN 0.068 nan 8.310 nan 0.000 0.506 282 P HA -0.030 nan 4.420 nan 0.000 0.257 282 P C -0.778 176.620 177.300 0.165 0.000 1.153 282 P CA 0.443 63.617 63.100 0.123 0.000 0.762 282 P CB 0.071 31.825 31.700 0.090 0.000 0.743 283 S N 2.249 118.083 115.700 0.223 0.000 2.528 283 S HA 0.169 4.639 4.470 -0.000 0.000 0.277 283 S C 0.334 175.101 174.600 0.279 0.000 1.297 283 S CA -0.638 57.770 58.200 0.346 0.000 1.052 283 S CB 0.418 63.892 63.200 0.456 0.000 0.917 283 S HN 0.145 nan 8.310 nan 0.000 0.492 284 V N 4.528 124.601 119.914 0.265 0.000 2.432 284 V HA 0.364 4.484 4.120 -0.000 0.000 0.271 284 V C 0.099 176.289 176.094 0.159 0.000 1.046 284 V CA -0.340 62.039 62.300 0.131 0.000 0.945 284 V CB 1.065 32.905 31.823 0.028 0.000 0.992 284 V HN 0.656 nan 8.190 nan 0.000 0.471 285 V N 4.773 124.697 119.914 0.016 0.000 2.531 285 V HA 0.524 4.644 4.120 -0.000 0.000 0.301 285 V C -0.601 175.411 176.094 -0.138 0.000 1.034 285 V CA -0.586 61.658 62.300 -0.093 0.000 0.865 285 V CB 1.950 33.530 31.823 -0.406 0.000 0.995 285 V HN 0.872 nan 8.190 nan 0.000 0.424 286 D N 4.419 124.748 120.400 -0.118 0.000 2.325 286 D HA 0.214 4.853 4.640 -0.000 0.000 0.251 286 D C 0.780 176.982 176.300 -0.164 0.000 1.196 286 D CA 0.220 54.149 54.000 -0.118 0.000 0.866 286 D CB 1.909 42.677 40.800 -0.054 0.000 1.101 286 D HN 0.740 nan 8.370 nan 0.000 0.476 287 V N 1.795 121.577 119.914 -0.220 0.000 3.342 287 V HA 0.505 4.625 4.120 -0.000 0.000 0.322 287 V C 1.148 177.083 176.094 -0.264 0.000 1.370 287 V CA 0.609 62.755 62.300 -0.257 0.000 1.170 287 V CB 0.070 31.668 31.823 -0.375 0.000 1.101 287 V HN 0.744 nan 8.190 nan 0.000 0.442 288 G N 0.901 109.557 108.800 -0.239 0.000 4.244 288 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.222 288 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.222 288 G C 0.522 175.236 174.900 -0.311 0.000 1.665 288 G CA 0.428 45.382 45.100 -0.244 0.000 1.315 288 G HN 0.419 nan 8.290 nan 0.000 0.637 289 D N 0.885 120.974 120.400 -0.519 0.000 2.149 289 D HA 0.256 4.896 4.640 -0.000 0.000 0.201 289 D C 0.815 176.704 176.300 -0.684 0.000 0.972 289 D CA 1.195 54.749 54.000 -0.743 0.000 0.835 289 D CB -0.054 39.982 40.800 -1.272 0.000 0.966 289 D HN 0.311 nan 8.370 nan 0.000 0.476 290 F N -0.273 119.553 119.950 -0.207 0.000 2.593 290 F HA 0.448 4.975 4.527 -0.000 0.000 0.320 290 F C 0.320 175.998 175.800 -0.202 0.000 1.060 290 F CA -1.260 56.625 58.000 -0.192 0.000 0.940 290 F CB 1.192 40.056 39.000 -0.227 0.000 1.268 290 F HN -0.573 nan 8.300 nan 0.000 0.475 291 K N 2.702 123.141 120.400 0.064 0.000 2.201 291 K HA 0.669 4.989 4.320 -0.000 0.000 0.278 291 K C -0.584 176.010 176.600 -0.010 0.000 1.027 291 K CA -0.447 55.829 56.287 -0.018 0.000 0.909 291 K CB 1.381 33.854 32.500 -0.044 0.000 1.062 291 K HN 0.661 nan 8.250 nan 0.000 0.465 292 I N -2.118 118.428 120.570 -0.040 0.000 3.170 292 I HA 0.521 4.691 4.170 -0.000 0.000 0.312 292 I C -0.480 175.637 176.117 0.000 0.000 1.085 292 I CA -0.836 60.452 61.300 -0.019 0.000 0.999 292 I CB 2.177 40.177 38.000 -0.000 0.000 1.233 292 I HN 0.328 nan 8.210 nan 0.000 0.467 293 S N 3.324 119.039 115.700 0.026 0.000 2.566 293 S HA 0.607 5.077 4.470 -0.000 0.000 0.324 293 S C -0.768 173.877 174.600 0.076 0.000 1.081 293 S CA -0.666 57.566 58.200 0.053 0.000 1.105 293 S CB 0.452 63.679 63.200 0.045 0.000 0.981 293 S HN 0.450 nan 8.310 nan 0.000 0.464 294 I N 6.060 126.697 120.570 0.112 0.000 2.354 294 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 294 I C 0.590 176.810 176.117 0.172 0.000 1.007 294 I CA -0.560 60.834 61.300 0.157 0.000 1.167 294 I CB 1.124 39.253 38.000 0.216 0.000 1.320 294 I HN 0.784 nan 8.210 nan 0.000 0.458 295 N N 4.101 122.883 118.700 0.137 0.000 2.280 295 N HA 0.069 4.809 4.740 -0.000 0.000 0.192 295 N C 0.213 175.783 175.510 0.099 0.000 1.109 295 N CA 0.164 53.280 53.050 0.110 0.000 0.855 295 N CB 0.685 39.219 38.487 0.079 0.000 0.974 295 N HN 0.411 nan 8.380 nan 0.000 0.482 296 E N -0.426 119.851 120.200 0.129 0.000 2.378 296 E HA 0.614 4.964 4.350 -0.000 0.000 0.265 296 E C 0.306 176.996 176.600 0.150 0.000 0.932 296 E CA -0.209 56.248 56.400 0.095 0.000 0.795 296 E CB 2.099 31.832 29.700 0.056 0.000 1.296 296 E HN 0.242 nan 8.360 nan 0.000 0.438 297 G N 0.092 108.901 108.800 0.015 0.000 2.760 297 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.246 297 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.246 297 G C -1.270 173.543 174.900 -0.145 0.000 1.359 297 G CA -0.250 44.816 45.100 -0.056 0.000 0.861 297 G HN 0.379 nan 8.290 nan 0.000 0.541 298 L N 1.433 122.509 121.223 -0.246 0.000 2.287 298 L HA 0.676 5.016 4.340 -0.000 0.000 0.287 298 L C -2.000 174.480 176.870 -0.649 0.000 1.022 298 L CA -1.942 52.621 54.840 -0.462 0.000 0.814 298 L CB 1.450 43.196 42.059 -0.522 0.000 1.217 298 L HN 0.366 nan 8.230 nan 0.000 0.420 299 P HA -0.065 nan 4.420 nan 0.000 0.253 299 P C -0.945 175.745 177.300 -1.015 0.000 1.159 299 P CA 0.552 62.672 63.100 -1.633 0.000 0.779 299 P CB 0.251 31.381 31.700 -0.950 0.000 0.745 300 S N 3.644 118.607 115.700 -1.228 0.000 2.457 300 S HA 0.546 5.016 4.470 -0.000 0.000 0.289 300 S C 0.937 175.563 174.600 0.044 0.000 1.163 300 S CA 0.380 58.393 58.200 -0.311 0.000 1.078 300 S CB -0.247 62.952 63.200 -0.001 0.000 0.987 300 S HN 0.796 nan 8.310 nan 0.000 0.482 301 G N 2.864 111.707 108.800 0.072 0.000 2.203 301 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.231 301 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.231 301 G C -0.345 174.651 174.900 0.160 0.000 1.058 301 G CA -0.039 45.145 45.100 0.140 0.000 0.781 301 G HN 1.071 nan 8.290 nan 0.000 0.496 302 V N 0.722 120.721 119.914 0.141 0.000 2.555 302 V HA 0.656 4.776 4.120 -0.000 0.000 0.302 302 V C -1.497 174.695 176.094 0.162 0.000 1.038 302 V CA -2.010 60.400 62.300 0.184 0.000 0.887 302 V CB 1.916 33.880 31.823 0.234 0.000 0.991 302 V HN 0.223 nan 8.190 nan 0.000 0.434 303 P HA 0.133 nan 4.420 nan 0.000 0.268 303 P C 0.590 177.990 177.300 0.167 0.000 1.204 303 P CA 0.321 63.511 63.100 0.151 0.000 0.768 303 P CB 0.650 32.433 31.700 0.138 0.000 0.842 304 C N 1.789 121.178 119.300 0.149 0.000 5.960 304 C HA -0.187 4.273 4.460 -0.000 0.000 0.275 304 C C 2.323 177.425 174.990 0.185 0.000 1.940 304 C CA 1.870 60.979 59.018 0.152 0.000 1.716 304 C CB -2.542 25.308 27.740 0.183 0.000 2.794 304 C HN 0.746 nan 8.230 nan 0.000 0.507 305 T N 0.127 114.809 114.554 0.213 0.000 3.055 305 T HA 0.062 4.412 4.350 -0.000 0.000 0.265 305 T C 1.619 176.395 174.700 0.126 0.000 1.111 305 T CA 2.102 64.346 62.100 0.240 0.000 1.118 305 T CB -0.488 68.462 68.868 0.137 0.000 0.909 305 T HN 1.499 nan 8.240 nan 0.000 0.501 306 S N 1.863 117.617 115.700 0.089 0.000 2.382 306 S HA -0.223 4.247 4.470 -0.000 0.000 0.228 306 S C 2.107 176.703 174.600 -0.007 0.000 1.027 306 S CA 0.982 59.202 58.200 0.032 0.000 0.991 306 S CB -0.560 62.660 63.200 0.033 0.000 0.823 306 S HN 0.515 nan 8.310 nan 0.000 0.469 307 Q N 0.287 120.098 119.800 0.017 0.000 2.016 307 Q HA 0.007 4.346 4.340 -0.000 0.000 0.200 307 Q C 1.746 177.819 176.000 0.123 0.000 0.978 307 Q CA 1.584 57.405 55.803 0.029 0.000 0.833 307 Q CB -0.693 28.049 28.738 0.008 0.000 0.895 307 Q HN 0.752 nan 8.270 nan 0.000 0.427 308 W N 2.064 123.312 121.300 -0.086 0.000 2.302 308 W HA -0.278 4.382 4.660 -0.001 0.000 0.320 308 W C 1.846 178.355 176.519 -0.016 0.000 1.241 308 W CA 2.026 59.319 57.345 -0.086 0.000 1.264 308 W CB -1.040 28.350 29.460 -0.117 0.000 1.154 308 W HN 0.199 nan 8.180 nan 0.000 0.483 309 N N -0.185 118.523 118.700 0.014 0.000 2.104 309 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 309 N C 1.925 177.469 175.510 0.057 0.000 1.024 309 N CA 2.296 55.314 53.050 -0.053 0.000 0.853 309 N CB -0.688 37.771 38.487 -0.046 0.000 1.008 309 N HN 0.110 nan 8.380 nan 0.000 0.424 310 S N 0.178 115.908 115.700 0.051 0.000 2.356 310 S HA -0.046 4.424 4.470 -0.000 0.000 0.223 310 S C 2.042 176.700 174.600 0.096 0.000 1.032 310 S CA 0.963 59.196 58.200 0.054 0.000 1.005 310 S CB -0.232 63.002 63.200 0.057 0.000 0.867 310 S HN 0.341 nan 8.310 nan 0.000 0.449 311 I N 1.827 122.501 120.570 0.173 0.000 2.226 311 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 311 I C 2.672 178.862 176.117 0.121 0.000 1.100 311 I CA 1.096 62.526 61.300 0.218 0.000 1.374 311 I CB -0.506 37.598 38.000 0.174 0.000 1.057 311 I HN 0.253 nan 8.210 nan 0.000 0.413 312 A N -0.152 122.733 122.820 0.108 0.000 1.908 312 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 312 A C 2.215 179.838 177.584 0.066 0.000 1.181 312 A CA 2.162 54.231 52.037 0.053 0.000 0.627 312 A CB -1.195 17.806 19.000 0.001 0.000 0.818 312 A HN 0.566 nan 8.150 nan 0.000 0.445 313 H N -2.897 116.151 119.070 -0.038 0.000 2.321 313 H HA -0.203 4.352 4.556 -0.000 0.000 0.300 313 H C 1.930 176.910 175.328 -0.582 0.000 1.087 313 H CA 1.501 57.425 56.048 -0.206 0.000 1.319 313 H CB -0.169 29.294 29.762 -0.498 0.000 1.379 313 H HN 0.685 nan 8.280 nan 0.000 0.501 314 W N 1.577 122.377 121.300 -0.834 0.000 2.335 314 W HA -0.223 4.436 4.660 -0.000 0.000 0.311 314 W C 1.911 178.296 176.519 -0.223 0.000 1.213 314 W CA 1.411 58.340 57.345 -0.692 0.000 1.274 314 W CB -0.955 28.367 29.460 -0.231 0.000 1.148 314 W HN 0.278 nan 8.180 nan 0.000 0.498 315 L N -0.094 121.125 121.223 -0.007 0.000 2.042 315 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 315 L C 2.687 179.546 176.870 -0.018 0.000 1.076 315 L CA 1.467 56.266 54.840 -0.069 0.000 0.749 315 L CB -1.003 40.995 42.059 -0.101 0.000 0.893 315 L HN -0.040 nan 8.230 nan 0.000 0.432 316 L N -1.244 119.973 121.223 -0.009 0.000 2.056 316 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 316 L C 2.585 179.555 176.870 0.168 0.000 1.078 316 L CA 1.463 56.324 54.840 0.034 0.000 0.749 316 L CB -0.718 41.341 42.059 0.000 0.000 0.901 316 L HN 0.226 nan 8.230 nan 0.000 0.433 317 T N 0.115 114.756 114.554 0.144 0.000 2.821 317 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 317 T C 1.972 176.751 174.700 0.132 0.000 1.046 317 T CA 1.097 63.289 62.100 0.155 0.000 1.139 317 T CB -0.197 68.730 68.868 0.098 0.000 0.871 317 T HN 0.161 nan 8.240 nan 0.000 0.454 318 L N 0.367 121.676 121.223 0.144 0.000 2.046 318 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 318 L C 2.867 179.847 176.870 0.184 0.000 1.077 318 L CA 1.012 55.982 54.840 0.217 0.000 0.747 318 L CB -0.593 41.597 42.059 0.218 0.000 0.896 318 L HN 0.388 nan 8.230 nan 0.000 0.432 319 C N -0.624 118.771 119.300 0.157 0.000 2.432 319 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 319 C C 3.120 178.275 174.990 0.275 0.000 1.249 319 C CA 0.696 59.823 59.018 0.182 0.000 1.725 319 C CB -1.062 26.733 27.740 0.092 0.000 2.028 319 C HN 0.632 nan 8.230 nan 0.000 0.477 320 A N 0.448 123.458 122.820 0.317 0.000 1.858 320 A HA -0.107 4.212 4.320 -0.000 0.000 0.216 320 A C 2.124 179.781 177.584 0.121 0.000 1.190 320 A CA 1.547 53.687 52.037 0.172 0.000 0.617 320 A CB -0.690 18.384 19.000 0.123 0.000 0.827 320 A HN 0.602 nan 8.150 nan 0.000 0.443 321 L N -0.739 120.585 121.223 0.169 0.000 2.046 321 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 321 L C 2.933 179.887 176.870 0.139 0.000 1.077 321 L CA 1.524 56.465 54.840 0.168 0.000 0.747 321 L CB -0.577 41.633 42.059 0.252 0.000 0.896 321 L HN 0.517 nan 8.230 nan 0.000 0.432 322 S N -0.184 115.607 115.700 0.151 0.000 2.353 322 S HA -0.226 4.244 4.470 -0.000 0.000 0.222 322 S C 1.873 176.528 174.600 0.092 0.000 1.035 322 S CA 1.627 59.900 58.200 0.122 0.000 1.025 322 S CB -0.133 63.141 63.200 0.122 0.000 0.902 322 S HN 0.425 nan 8.310 nan 0.000 0.440 323 E N -0.123 120.135 120.200 0.096 0.000 2.077 323 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 323 E C 2.084 178.706 176.600 0.037 0.000 0.989 323 E CA 1.301 57.743 56.400 0.070 0.000 0.800 323 E CB -0.187 29.566 29.700 0.089 0.000 0.746 323 E HN 0.373 nan 8.360 nan 0.000 0.452 324 V N 0.433 120.364 119.914 0.028 0.000 3.041 324 V HA -0.120 4.000 4.120 -0.000 0.000 0.260 324 V C 1.969 178.069 176.094 0.010 0.000 1.105 324 V CA 1.587 63.888 62.300 0.001 0.000 1.125 324 V CB 0.172 31.985 31.823 -0.017 0.000 0.730 324 V HN 0.263 nan 8.190 nan 0.000 0.479 325 T N -1.576 112.998 114.554 0.033 0.000 2.969 325 T HA 0.126 4.475 4.350 -0.000 0.000 0.250 325 T C 1.036 175.759 174.700 0.038 0.000 1.021 325 T CA 0.180 62.302 62.100 0.037 0.000 1.003 325 T CB -0.130 68.776 68.868 0.063 0.000 1.040 325 T HN 0.470 nan 8.240 nan 0.000 0.492 326 N N 1.226 119.951 118.700 0.041 0.000 2.725 326 N HA -0.141 4.599 4.740 -0.000 0.000 0.249 326 N C -0.822 174.715 175.510 0.045 0.000 1.103 326 N CA 0.460 53.533 53.050 0.040 0.000 0.707 326 N CB -1.198 37.306 38.487 0.028 0.000 1.043 326 N HN 0.435 nan 8.380 nan 0.000 0.553 327 L N 0.493 121.751 121.223 0.058 0.000 2.333 327 L HA 0.454 4.794 4.340 -0.000 0.000 0.269 327 L C 0.895 177.808 176.870 0.072 0.000 1.010 327 L CA -0.869 54.008 54.840 0.063 0.000 0.818 327 L CB 1.758 43.859 42.059 0.071 0.000 1.306 327 L HN 0.125 nan 8.230 nan 0.000 0.430 328 S N 0.165 115.904 115.700 0.066 0.000 2.579 328 S HA 0.217 4.687 4.470 -0.000 0.000 0.275 328 S C -1.988 172.666 174.600 0.091 0.000 1.345 328 S CA -0.912 57.329 58.200 0.068 0.000 1.031 328 S CB 0.911 64.144 63.200 0.054 0.000 0.892 328 S HN 0.423 nan 8.310 nan 0.000 0.529 329 P HA -0.156 nan 4.420 nan 0.000 0.216 329 P C 0.853 178.230 177.300 0.129 0.000 1.154 329 P CA 1.467 64.643 63.100 0.127 0.000 0.865 329 P CB -0.058 31.698 31.700 0.093 0.000 0.789 330 D N -1.086 119.369 120.400 0.091 0.000 2.126 330 D HA -0.170 4.470 4.640 -0.000 0.000 0.190 330 D C 1.869 178.220 176.300 0.085 0.000 1.001 330 D CA 1.133 55.182 54.000 0.081 0.000 0.841 330 D CB -0.639 40.195 40.800 0.058 0.000 0.949 330 D HN 0.044 nan 8.370 nan 0.000 0.446 331 I N 1.024 121.644 120.570 0.082 0.000 2.163 331 I HA -0.193 3.977 4.170 -0.000 0.000 0.240 331 I C 2.418 178.593 176.117 0.097 0.000 1.081 331 I CA 0.563 61.911 61.300 0.079 0.000 1.353 331 I CB -1.051 36.992 38.000 0.072 0.000 1.054 331 I HN 0.037 nan 8.210 nan 0.000 0.407 332 I N 0.570 121.217 120.570 0.130 0.000 2.087 332 I HA -0.345 3.825 4.170 -0.000 0.000 0.240 332 I C 2.621 178.820 176.117 0.136 0.000 1.054 332 I CA 1.733 63.136 61.300 0.173 0.000 1.311 332 I CB -1.479 36.674 38.000 0.255 0.000 1.024 332 I HN 0.308 nan 8.210 nan 0.000 0.402 333 Q N 0.989 120.884 119.800 0.159 0.000 2.124 333 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 333 Q C 2.161 178.154 176.000 -0.011 0.000 0.977 333 Q CA 2.179 58.035 55.803 0.089 0.000 0.850 333 Q CB -0.370 28.494 28.738 0.210 0.000 0.901 333 Q HN 0.501 nan 8.270 nan 0.000 0.429 334 A N -0.038 122.805 122.820 0.037 0.000 2.121 334 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 334 A C 1.256 178.866 177.584 0.043 0.000 1.154 334 A CA 1.355 53.411 52.037 0.032 0.000 0.679 334 A CB -0.170 18.856 19.000 0.044 0.000 0.795 334 A HN 0.451 nan 8.150 nan 0.000 0.458 335 N N -0.288 118.439 118.700 0.044 0.000 2.235 335 N HA 0.163 4.903 4.740 -0.000 0.000 0.231 335 N C -0.879 174.686 175.510 0.093 0.000 1.177 335 N CA 0.208 53.326 53.050 0.114 0.000 0.874 335 N CB 0.855 39.406 38.487 0.106 0.000 1.097 335 N HN 0.272 nan 8.380 nan 0.000 0.518 336 S N 0.423 115.999 115.700 -0.207 0.000 2.618 336 S HA 0.593 5.063 4.470 -0.000 0.000 0.277 336 S C -1.245 172.661 174.600 -1.158 0.000 1.138 336 S CA -0.593 57.199 58.200 -0.680 0.000 0.844 336 S CB 2.598 65.417 63.200 -0.634 0.000 1.127 336 S HN 0.092 nan 8.310 nan 0.000 0.474 337 L N 2.000 122.388 121.223 -1.392 0.000 2.439 337 L HA 0.707 5.047 4.340 -0.000 0.000 0.270 337 L C -2.042 174.290 176.870 -0.898 0.000 0.972 337 L CA -0.224 53.890 54.840 -1.209 0.000 0.836 337 L CB 0.876 42.175 42.059 -1.266 0.000 1.255 337 L HN 0.568 nan 8.230 nan 0.000 0.404 338 F N 1.780 121.351 119.950 -0.632 0.000 2.483 338 F HA 0.733 5.260 4.527 -0.000 0.000 0.329 338 F C 0.438 175.745 175.800 -0.822 0.000 1.064 338 F CA -1.030 56.515 58.000 -0.758 0.000 0.986 338 F CB 2.196 40.605 39.000 -0.984 0.000 1.218 338 F HN 0.308 nan 8.300 nan 0.000 0.484 339 S N 1.699 116.956 115.700 -0.737 0.000 2.647 339 S HA 0.738 5.207 4.470 -0.000 0.000 0.300 339 S C -1.511 172.591 174.600 -0.830 0.000 1.129 339 S CA -0.433 57.319 58.200 -0.745 0.000 1.029 339 S CB 0.492 63.163 63.200 -0.882 0.000 1.007 339 S HN 0.314 nan 8.310 nan 0.000 0.484 340 F N 2.231 122.128 119.950 -0.087 0.000 2.551 340 F HA 0.555 5.082 4.527 -0.000 0.000 0.316 340 F C -0.603 175.294 175.800 0.162 0.000 1.089 340 F CA -0.990 56.975 58.000 -0.059 0.000 0.915 340 F CB 1.271 40.103 39.000 -0.280 0.000 1.186 340 F HN 0.518 nan 8.300 nan 0.000 0.456 341 Y N 1.879 122.303 120.300 0.206 0.000 2.484 341 Y HA 0.500 5.049 4.550 -0.000 0.000 0.348 341 Y C 0.415 176.279 175.900 -0.060 0.000 1.103 341 Y CA -0.375 57.747 58.100 0.036 0.000 1.317 341 Y CB 0.886 39.269 38.460 -0.129 0.000 1.096 341 Y HN 0.860 nan 8.280 nan 0.000 0.568 342 G N 3.747 112.605 108.800 0.098 0.000 2.602 342 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.310 342 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.310 342 G C 0.839 175.563 174.900 -0.293 0.000 1.183 342 G CA 0.944 46.014 45.100 -0.051 0.000 0.979 342 G HN 0.690 nan 8.290 nan 0.000 0.545 343 D N 1.378 121.463 120.400 -0.525 0.000 2.349 343 D HA 0.162 4.802 4.640 -0.000 0.000 0.224 343 D C 0.480 176.691 176.300 -0.148 0.000 1.029 343 D CA 0.969 54.428 54.000 -0.902 0.000 0.879 343 D CB -0.035 40.263 40.800 -0.837 0.000 0.906 343 D HN 0.356 nan 8.370 nan 0.000 0.528 344 D N 0.972 121.375 120.400 0.004 0.000 2.225 344 D HA 0.224 4.864 4.640 -0.000 0.000 0.248 344 D C -0.347 176.119 176.300 0.277 0.000 1.096 344 D CA -0.300 53.771 54.000 0.119 0.000 0.863 344 D CB 1.176 41.922 40.800 -0.090 0.000 1.156 344 D HN 0.412 nan 8.370 nan 0.000 0.450 345 E N 2.550 122.955 120.200 0.341 0.000 2.367 345 E HA 0.633 4.983 4.350 -0.000 0.000 0.273 345 E C -0.982 175.657 176.600 0.065 0.000 0.903 345 E CA -0.891 55.628 56.400 0.198 0.000 0.764 345 E CB 1.635 31.476 29.700 0.234 0.000 1.252 345 E HN 0.315 nan 8.360 nan 0.000 0.446 346 I N 1.630 122.016 120.570 -0.307 0.000 2.533 346 I HA 0.371 4.541 4.170 -0.000 0.000 0.290 346 I C -1.102 174.765 176.117 -0.416 0.000 1.056 346 I CA -1.326 59.720 61.300 -0.425 0.000 1.057 346 I CB 2.270 39.825 38.000 -0.741 0.000 1.240 346 I HN 0.359 nan 8.210 nan 0.000 0.423 347 V N 4.369 124.016 119.914 -0.445 0.000 2.444 347 V HA 0.455 4.574 4.120 -0.000 0.000 0.294 347 V C -0.195 175.776 176.094 -0.206 0.000 1.022 347 V CA -0.333 61.763 62.300 -0.340 0.000 0.850 347 V CB 1.829 33.188 31.823 -0.774 0.000 0.992 347 V HN 0.790 nan 8.190 nan 0.000 0.426 348 S N 2.869 118.549 115.700 -0.034 0.000 2.503 348 S HA 0.837 5.307 4.470 -0.000 0.000 0.301 348 S C -0.261 174.210 174.600 -0.214 0.000 1.087 348 S CA -0.582 57.589 58.200 -0.049 0.000 1.042 348 S CB 2.055 65.353 63.200 0.163 0.000 1.043 348 S HN 0.835 nan 8.310 nan 0.000 0.489 349 T N 0.345 114.867 114.554 -0.053 0.000 2.885 349 T HA 0.320 4.670 4.350 -0.000 0.000 0.322 349 T C -0.921 173.936 174.700 0.262 0.000 1.387 349 T CA -0.558 61.590 62.100 0.080 0.000 1.041 349 T CB 1.381 70.344 68.868 0.159 0.000 1.287 349 T HN 0.432 nan 8.240 nan 0.000 0.491 350 D N 1.660 122.240 120.400 0.300 0.000 2.354 350 D HA 0.223 4.862 4.640 -0.000 0.000 0.209 350 D C 0.587 177.067 176.300 0.300 0.000 1.015 350 D CA 0.332 54.467 54.000 0.225 0.000 0.867 350 D CB 0.222 41.095 40.800 0.122 0.000 0.933 350 D HN 0.496 nan 8.370 nan 0.000 0.520 351 I N 1.556 122.283 120.570 0.262 0.000 2.471 351 I HA -0.009 4.161 4.170 -0.000 0.000 0.286 351 I C 0.872 177.067 176.117 0.130 0.000 1.079 351 I CA -0.170 61.243 61.300 0.189 0.000 1.398 351 I CB 0.706 38.788 38.000 0.137 0.000 1.403 351 I HN -0.360 nan 8.210 nan 0.000 0.530 352 K N 7.189 127.620 120.400 0.051 0.000 2.379 352 K HA 0.423 4.743 4.320 -0.000 0.000 0.284 352 K C -1.096 175.393 176.600 -0.186 0.000 1.044 352 K CA -0.129 56.010 56.287 -0.247 0.000 0.974 352 K CB 0.462 32.902 32.500 -0.100 0.000 0.962 352 K HN 0.521 nan 8.250 nan 0.000 0.474 353 L N 2.530 123.586 121.223 -0.278 0.000 2.341 353 L HA 0.322 4.662 4.340 -0.000 0.000 0.267 353 L C -0.438 176.341 176.870 -0.150 0.000 1.009 353 L CA -1.159 53.593 54.840 -0.148 0.000 0.819 353 L CB 1.744 43.741 42.059 -0.104 0.000 1.323 353 L HN 0.632 nan 8.230 nan 0.000 0.425 354 D N 2.755 123.093 120.400 -0.103 0.000 2.347 354 D HA 0.198 4.838 4.640 -0.000 0.000 0.235 354 D C -1.713 174.521 176.300 -0.111 0.000 1.149 354 D CA -1.922 52.022 54.000 -0.095 0.000 0.850 354 D CB 1.899 42.658 40.800 -0.068 0.000 1.061 354 D HN 0.200 nan 8.370 nan 0.000 0.487 355 P HA -0.122 nan 4.420 nan 0.000 0.218 355 P C 0.889 178.112 177.300 -0.128 0.000 1.149 355 P CA 0.975 63.988 63.100 -0.146 0.000 0.817 355 P CB 0.664 32.296 31.700 -0.114 0.000 0.785 356 E N 0.325 120.469 120.200 -0.094 0.000 2.072 356 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 356 E C 2.129 178.679 176.600 -0.083 0.000 0.985 356 E CA 1.027 57.379 56.400 -0.079 0.000 0.801 356 E CB -0.204 29.460 29.700 -0.060 0.000 0.750 356 E HN 0.302 nan 8.360 nan 0.000 0.452 357 K N 0.558 120.909 120.400 -0.081 0.000 2.026 357 K HA -0.173 4.146 4.320 -0.000 0.000 0.208 357 K C 2.249 178.788 176.600 -0.102 0.000 1.048 357 K CA 0.873 57.112 56.287 -0.080 0.000 0.929 357 K CB -0.252 32.209 32.500 -0.065 0.000 0.713 357 K HN 0.028 nan 8.250 nan 0.000 0.439 358 L N 1.519 122.671 121.223 -0.117 0.000 1.990 358 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 358 L C 2.074 178.859 176.870 -0.142 0.000 1.072 358 L CA 2.016 56.772 54.840 -0.141 0.000 0.755 358 L CB -0.897 41.034 42.059 -0.213 0.000 0.889 358 L HN 0.149 nan 8.230 nan 0.000 0.432 359 T N -0.081 114.390 114.554 -0.138 0.000 2.708 359 T HA -0.176 4.174 4.350 -0.000 0.000 0.266 359 T C 1.917 176.558 174.700 -0.099 0.000 1.037 359 T CA 1.438 63.473 62.100 -0.109 0.000 1.146 359 T CB -0.685 68.124 68.868 -0.099 0.000 0.865 359 T HN 0.549 nan 8.240 nan 0.000 0.435 360 A N 1.868 124.627 122.820 -0.102 0.000 1.865 360 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 360 A C 2.200 179.693 177.584 -0.152 0.000 1.191 360 A CA 2.288 54.264 52.037 -0.103 0.000 0.623 360 A CB -0.607 18.341 19.000 -0.087 0.000 0.826 360 A HN 0.397 nan 8.150 nan 0.000 0.444 361 K N 0.031 120.313 120.400 -0.198 0.000 2.057 361 K HA -0.017 4.303 4.320 -0.000 0.000 0.207 361 K C 1.740 178.010 176.600 -0.549 0.000 1.049 361 K CA 1.560 57.635 56.287 -0.354 0.000 0.931 361 K CB -0.645 31.662 32.500 -0.322 0.000 0.714 361 K HN 0.464 nan 8.250 nan 0.000 0.440 362 L N 0.445 121.477 121.223 -0.319 0.000 2.083 362 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 362 L C 2.349 179.156 176.870 -0.105 0.000 1.083 362 L CA 1.468 56.199 54.840 -0.181 0.000 0.752 362 L CB -0.342 41.757 42.059 0.067 0.000 0.899 362 L HN 0.156 nan 8.230 nan 0.000 0.433 363 K N -0.215 120.130 120.400 -0.091 0.000 2.148 363 K HA -0.214 4.105 4.320 -0.000 0.000 0.204 363 K C 2.020 178.582 176.600 -0.063 0.000 1.050 363 K CA 1.164 57.420 56.287 -0.052 0.000 0.942 363 K CB -0.082 32.390 32.500 -0.047 0.000 0.724 363 K HN 0.316 nan 8.250 nan 0.000 0.446 364 E N 0.232 120.362 120.200 -0.116 0.000 2.110 364 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 364 E C 1.105 177.732 176.600 0.046 0.000 0.988 364 E CA 1.040 57.398 56.400 -0.070 0.000 0.804 364 E CB 0.065 29.692 29.700 -0.122 0.000 0.745 364 E HN 0.294 nan 8.360 nan 0.000 0.458 365 Y N -0.493 119.767 120.300 -0.066 0.000 2.632 365 Y HA 0.127 4.677 4.550 -0.000 0.000 0.301 365 Y C 1.802 177.615 175.900 -0.144 0.000 1.172 365 Y CA 0.805 58.842 58.100 -0.104 0.000 1.328 365 Y CB -0.143 38.245 38.460 -0.121 0.000 1.016 365 Y HN 0.283 nan 8.280 nan 0.000 0.529 366 G N -0.508 108.302 108.800 0.016 0.000 2.217 366 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.246 366 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.246 366 G C 0.251 175.092 174.900 -0.097 0.000 0.990 366 G CA 0.103 45.164 45.100 -0.065 0.000 0.627 366 G HN 0.264 nan 8.290 nan 0.000 0.522 367 L N 0.441 121.619 121.223 -0.075 0.000 2.464 367 L HA 0.421 4.761 4.340 -0.000 0.000 0.264 367 L C 0.600 177.521 176.870 0.084 0.000 1.199 367 L CA -0.146 54.665 54.840 -0.049 0.000 0.818 367 L CB 0.444 42.491 42.059 -0.020 0.000 1.102 367 L HN -0.090 nan 8.230 nan 0.000 0.473 368 K N 2.553 123.068 120.400 0.193 0.000 2.602 368 K HA 0.321 4.641 4.320 -0.000 0.000 0.201 368 K C -2.497 174.204 176.600 0.168 0.000 1.070 368 K CA -1.613 54.762 56.287 0.146 0.000 1.026 368 K CB 0.733 33.284 32.500 0.085 0.000 1.534 368 K HN 0.285 nan 8.250 nan 0.000 0.560 369 P HA 0.027 nan 4.420 nan 0.000 0.271 369 P C -0.200 177.009 177.300 -0.152 0.000 1.216 369 P CA 0.198 63.158 63.100 -0.233 0.000 0.776 369 P CB 0.825 32.439 31.700 -0.144 0.000 0.881 370 T N -0.052 114.384 114.554 -0.198 0.000 2.903 370 T HA 0.479 4.829 4.350 -0.000 0.000 0.299 370 T C -0.007 174.634 174.700 -0.099 0.000 1.093 370 T CA -1.231 60.807 62.100 -0.102 0.000 1.002 370 T CB 1.240 70.076 68.868 -0.054 0.000 1.127 370 T HN 0.225 nan 8.240 nan 0.000 0.488 371 R N 2.044 122.510 120.500 -0.056 0.000 2.522 371 R HA 0.211 4.551 4.340 -0.000 0.000 0.284 371 R C -1.765 174.521 176.300 -0.024 0.000 1.032 371 R CA -1.415 54.666 56.100 -0.032 0.000 1.049 371 R CB 0.092 30.381 30.300 -0.018 0.000 0.956 371 R HN 0.483 nan 8.270 nan 0.000 0.422 372 P HA -0.131 nan 4.420 nan 0.000 0.236 372 P C -0.448 176.851 177.300 -0.002 0.000 1.172 372 P CA 1.135 64.231 63.100 -0.006 0.000 0.759 372 P CB 0.268 31.968 31.700 -0.001 0.000 0.843 373 D N -0.017 120.382 120.400 -0.002 0.000 2.929 373 D HA 0.036 4.676 4.640 -0.000 0.000 0.246 373 D C 1.789 178.089 176.300 0.001 0.000 1.237 373 D CA 0.061 54.061 54.000 -0.000 0.000 1.171 373 D CB -0.386 40.415 40.800 0.002 0.000 0.933 373 D HN 0.012 nan 8.370 nan 0.000 0.216 374 K N 0.748 121.148 120.400 0.000 0.000 2.025 374 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 374 K C 0.193 176.792 176.600 -0.001 0.000 1.049 374 K CA 1.004 57.291 56.287 0.000 0.000 0.933 374 K CB -0.935 31.565 32.500 -0.000 0.000 0.714 374 K HN 0.459 nan 8.250 nan 0.000 0.438 375 T N 1.037 115.588 114.554 -0.006 0.000 0.541 375 T HA -0.103 4.247 4.350 -0.000 0.000 0.774 375 T C -0.734 173.960 174.700 -0.009 0.000 0.992 375 T CA 0.179 62.274 62.100 -0.008 0.000 4.077 375 T CB -0.537 68.329 68.868 -0.003 0.000 2.303 375 T HN 0.488 nan 8.240 nan 0.000 0.398 376 E N 0.080 120.272 120.200 -0.013 0.000 4.675 376 E HA 0.051 4.401 4.350 -0.000 0.000 0.163 376 E C 0.206 176.797 176.600 -0.016 0.000 1.720 376 E CA 2.076 58.467 56.400 -0.014 0.000 1.052 376 E CB -1.378 28.316 29.700 -0.010 0.000 1.047 376 E HN 1.977 nan 8.360 nan 0.000 0.344 377 G N 2.220 111.007 108.800 -0.022 0.000 2.350 377 G HA2 0.298 4.258 3.960 -0.000 0.000 0.305 377 G HA3 0.298 4.258 3.960 -0.000 0.000 0.305 377 G C -2.962 171.917 174.900 -0.036 0.000 1.479 377 G CA -0.511 44.574 45.100 -0.025 0.000 0.949 377 G HN 0.168 nan 8.290 nan 0.000 0.651 378 P HA 0.356 nan 4.420 nan 0.000 0.272 378 P C 0.655 177.917 177.300 -0.062 0.000 1.230 378 P CA -0.336 62.729 63.100 -0.058 0.000 0.788 378 P CB 0.716 32.380 31.700 -0.060 0.000 0.949 379 L N 0.580 121.750 121.223 -0.089 0.000 2.554 379 L HA -0.006 4.334 4.340 -0.000 0.000 0.293 379 L C 0.502 177.333 176.870 -0.065 0.000 1.252 379 L CA 0.132 54.918 54.840 -0.090 0.000 0.862 379 L CB -0.084 41.871 42.059 -0.173 0.000 1.113 379 L HN 0.126 nan 8.230 nan 0.000 0.510 380 V N 4.833 124.740 119.914 -0.012 0.000 2.370 380 V HA 0.327 4.447 4.120 -0.000 0.000 0.279 380 V C 0.289 176.430 176.094 0.078 0.000 1.029 380 V CA -0.318 61.994 62.300 0.021 0.000 0.870 380 V CB 1.440 33.284 31.823 0.034 0.000 0.984 380 V HN 0.426 nan 8.190 nan 0.000 0.451 381 I N 4.172 124.785 120.570 0.072 0.000 2.353 381 I HA 0.411 4.581 4.170 -0.000 0.000 0.293 381 I C 0.421 176.643 176.117 0.176 0.000 0.992 381 I CA 0.372 61.766 61.300 0.156 0.000 1.268 381 I CB 1.675 39.731 38.000 0.093 0.000 1.387 381 I HN 0.626 nan 8.210 nan 0.000 0.478 382 S N 4.021 119.864 115.700 0.240 0.000 2.568 382 S HA 0.354 4.824 4.470 -0.000 0.000 0.302 382 S C 0.453 175.234 174.600 0.302 0.000 1.082 382 S CA -0.608 57.727 58.200 0.226 0.000 1.009 382 S CB 1.488 64.797 63.200 0.182 0.000 1.069 382 S HN 0.678 nan 8.310 nan 0.000 0.500 383 E N 1.082 121.428 120.200 0.244 0.000 2.479 383 E HA 0.093 4.443 4.350 -0.000 0.000 0.193 383 E C -0.768 175.986 176.600 0.257 0.000 1.049 383 E CA 0.145 56.674 56.400 0.215 0.000 0.870 383 E CB 0.313 30.085 29.700 0.120 0.000 0.944 383 E HN 0.476 nan 8.360 nan 0.000 0.492 384 D N 0.543 121.079 120.400 0.227 0.000 2.408 384 D HA 0.073 4.713 4.640 -0.000 0.000 0.243 384 D C 0.257 176.567 176.300 0.016 0.000 1.075 384 D CA -0.453 53.632 54.000 0.141 0.000 0.832 384 D CB 1.880 42.741 40.800 0.101 0.000 1.162 384 D HN -0.074 nan 8.370 nan 0.000 0.515 385 L N 4.379 125.462 121.223 -0.233 0.000 2.291 385 L HA 0.111 4.451 4.340 -0.000 0.000 0.214 385 L C 0.711 177.528 176.870 -0.088 0.000 1.120 385 L CA 0.833 55.383 54.840 -0.483 0.000 0.799 385 L CB -0.422 41.091 42.059 -0.910 0.000 0.925 385 L HN 0.448 nan 8.230 nan 0.000 0.446 386 N N 0.043 118.831 118.700 0.147 0.000 2.440 386 N HA 0.113 4.852 4.740 -0.000 0.000 0.265 386 N C 0.943 176.444 175.510 -0.015 0.000 1.239 386 N CA 1.111 54.222 53.050 0.102 0.000 0.909 386 N CB 0.382 38.891 38.487 0.037 0.000 1.066 386 N HN 0.524 nan 8.380 nan 0.000 0.474 387 G N 2.662 111.420 108.800 -0.069 0.000 2.307 387 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.210 387 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.210 387 G C 0.065 174.913 174.900 -0.087 0.000 1.005 387 G CA -0.328 44.729 45.100 -0.072 0.000 0.634 387 G HN 0.506 nan 8.290 nan 0.000 0.496 388 L N 1.807 122.964 121.223 -0.110 0.000 2.473 388 L HA 0.587 4.927 4.340 -0.000 0.000 0.265 388 L C 0.881 177.665 176.870 -0.144 0.000 1.243 388 L CA 1.034 55.803 54.840 -0.119 0.000 0.822 388 L CB 0.710 42.671 42.059 -0.164 0.000 1.101 388 L HN 0.206 nan 8.230 nan 0.000 0.507 389 T N 1.295 115.796 114.554 -0.089 0.000 2.861 389 T HA 0.618 4.968 4.350 -0.000 0.000 0.287 389 T C -1.383 173.357 174.700 0.066 0.000 1.003 389 T CA -0.279 61.792 62.100 -0.049 0.000 0.977 389 T CB 1.154 70.003 68.868 -0.031 0.000 0.996 389 T HN 0.278 nan 8.240 nan 0.000 0.448 390 F N 3.243 123.105 119.950 -0.146 0.000 2.623 390 F HA 0.423 4.950 4.527 -0.000 0.000 0.323 390 F C -0.302 175.462 175.800 -0.060 0.000 1.158 390 F CA -1.220 56.725 58.000 -0.091 0.000 1.030 390 F CB 0.813 39.768 39.000 -0.076 0.000 1.280 390 F HN 0.553 nan 8.300 nan 0.000 0.474 391 L N 6.465 127.318 121.223 -0.617 0.000 3.843 391 L HA -0.361 3.978 4.340 -0.000 0.000 0.411 391 L C 0.780 177.513 176.870 -0.228 0.000 1.205 391 L CA 1.136 55.674 54.840 -0.503 0.000 0.945 391 L CB -1.359 40.395 42.059 -0.507 0.000 1.929 391 L HN 0.923 nan 8.230 nan 0.000 0.934 392 R N -2.896 117.508 120.500 -0.159 0.000 3.963 392 R HA -0.151 4.189 4.340 -0.000 0.000 0.394 392 R C 0.274 176.547 176.300 -0.044 0.000 1.131 392 R CA 1.531 57.583 56.100 -0.079 0.000 1.059 392 R CB -1.136 29.126 30.300 -0.063 0.000 1.614 392 R HN 0.538 nan 8.270 nan 0.000 0.546 393 R N 0.839 121.309 120.500 -0.049 0.000 2.445 393 R HA 0.306 4.646 4.340 -0.000 0.000 0.308 393 R C -0.298 175.935 176.300 -0.111 0.000 0.961 393 R CA -0.622 55.450 56.100 -0.047 0.000 0.862 393 R CB 1.592 31.888 30.300 -0.007 0.000 1.144 393 R HN -0.086 nan 8.270 nan 0.000 0.447 394 T N 2.550 117.018 114.554 -0.144 0.000 2.752 394 T HA 0.074 4.424 4.350 -0.000 0.000 0.295 394 T C 0.457 174.944 174.700 -0.354 0.000 0.923 394 T CA -0.400 61.578 62.100 -0.203 0.000 1.112 394 T CB 0.596 69.366 68.868 -0.163 0.000 0.884 394 T HN 0.180 nan 8.240 nan 0.000 0.525 395 V N 5.491 125.159 119.914 -0.410 0.000 2.446 395 V HA 0.210 4.330 4.120 -0.000 0.000 0.276 395 V C 0.686 176.582 176.094 -0.330 0.000 1.030 395 V CA 0.055 61.993 62.300 -0.603 0.000 1.033 395 V CB 0.084 31.429 31.823 -0.796 0.000 0.993 395 V HN 0.972 nan 8.190 nan 0.000 0.477 396 T N 5.491 119.805 114.554 -0.399 0.000 2.848 396 T HA 0.483 4.833 4.350 -0.000 0.000 0.285 396 T C -0.343 174.147 174.700 -0.349 0.000 0.995 396 T CA -0.703 61.141 62.100 -0.427 0.000 0.970 396 T CB 1.686 70.067 68.868 -0.810 0.000 0.976 396 T HN 0.538 nan 8.240 nan 0.000 0.441 397 R N 3.330 123.472 120.500 -0.596 0.000 2.207 397 R HA 0.469 4.809 4.340 -0.000 0.000 0.334 397 R C -0.593 175.518 176.300 -0.314 0.000 1.013 397 R CA -0.818 54.732 56.100 -0.918 0.000 0.858 397 R CB -0.057 29.270 30.300 -1.621 0.000 1.094 397 R HN 0.790 nan 8.270 nan 0.000 0.457 398 D N 3.668 124.025 120.400 -0.073 0.000 2.494 398 D HA 0.396 5.036 4.640 -0.000 0.000 0.259 398 D C -1.897 174.368 176.300 -0.058 0.000 1.109 398 D CA -2.204 51.800 54.000 0.008 0.000 1.040 398 D CB 0.601 41.490 40.800 0.149 0.000 1.175 398 D HN 0.242 nan 8.370 nan 0.000 0.584 399 P HA 0.040 nan 4.420 nan 0.000 0.226 399 P C 0.661 177.975 177.300 0.023 0.000 1.146 399 P CA 1.547 64.641 63.100 -0.010 0.000 0.773 399 P CB 0.076 31.781 31.700 0.008 0.000 0.772 400 A N -1.669 121.193 122.820 0.070 0.000 2.220 400 A HA 0.566 4.886 4.320 -0.000 0.000 0.211 400 A C 1.146 178.802 177.584 0.120 0.000 1.176 400 A CA 0.924 53.047 52.037 0.143 0.000 0.834 400 A CB -0.168 19.051 19.000 0.365 0.000 0.868 400 A HN 0.319 nan 8.150 nan 0.000 0.488 401 G N -2.200 106.619 108.800 0.032 0.000 2.320 401 G HA2 0.183 4.142 3.960 -0.000 0.000 0.274 401 G HA3 0.183 4.142 3.960 -0.000 0.000 0.274 401 G C -1.605 173.277 174.900 -0.030 0.000 1.324 401 G CA -0.708 44.408 45.100 0.027 0.000 0.957 401 G HN 0.313 nan 8.290 nan 0.000 0.481 402 W N 0.628 122.064 121.300 0.227 0.000 2.438 402 W HA 0.742 5.402 4.660 -0.001 0.000 0.324 402 W C 0.231 177.018 176.519 0.447 0.000 1.119 402 W CA 0.037 57.559 57.345 0.294 0.000 1.221 402 W CB 1.330 30.947 29.460 0.261 0.000 1.253 402 W HN 0.689 nan 8.180 nan 0.000 0.555 403 F N 0.253 120.427 119.950 0.373 0.000 2.817 403 F HA 0.872 5.399 4.527 0.000 0.000 0.317 403 F C -0.638 175.289 175.800 0.213 0.000 1.168 403 F CA -2.294 55.886 58.000 0.301 0.000 0.911 403 F CB 0.750 39.789 39.000 0.065 0.000 1.337 403 F HN 0.444 nan 8.300 nan 0.000 0.464 404 G N 1.379 110.221 108.800 0.070 0.000 2.609 404 G HA2 0.584 4.544 3.960 -0.000 0.000 0.308 404 G HA3 0.584 4.544 3.960 -0.000 0.000 0.308 404 G C -1.931 172.899 174.900 -0.118 0.000 1.369 404 G CA -1.143 43.845 45.100 -0.187 0.000 0.958 404 G HN 0.662 nan 8.290 nan 0.000 0.499 405 K N 2.311 122.543 120.400 -0.280 0.000 2.213 405 K HA 0.353 4.673 4.320 -0.000 0.000 0.270 405 K C -0.542 176.057 176.600 -0.003 0.000 1.002 405 K CA -0.904 55.300 56.287 -0.138 0.000 0.868 405 K CB 2.531 34.776 32.500 -0.425 0.000 1.093 405 K HN 0.301 nan 8.250 nan 0.000 0.454 406 L N 2.843 124.149 121.223 0.138 0.000 2.540 406 L HA -0.029 4.311 4.340 -0.000 0.000 0.276 406 L C 0.313 177.305 176.870 0.204 0.000 1.212 406 L CA 0.618 55.555 54.840 0.161 0.000 0.893 406 L CB -0.009 42.168 42.059 0.196 0.000 1.138 406 L HN 0.566 nan 8.230 nan 0.000 0.491 407 E N 2.779 123.025 120.200 0.076 0.000 2.708 407 E HA -0.162 4.187 4.350 -0.000 0.000 0.260 407 E C 0.810 177.364 176.600 -0.077 0.000 0.937 407 E CA 0.618 57.020 56.400 0.002 0.000 0.953 407 E CB 0.478 30.161 29.700 -0.028 0.000 0.915 407 E HN 0.645 nan 8.360 nan 0.000 0.487 408 Q N 1.531 121.157 119.800 -0.290 0.000 2.135 408 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 408 Q C 2.138 178.086 176.000 -0.087 0.000 0.981 408 Q CA 1.732 57.258 55.803 -0.461 0.000 0.856 408 Q CB -0.049 28.215 28.738 -0.790 0.000 0.902 408 Q HN 0.689 nan 8.270 nan 0.000 0.425 409 S N -0.361 115.287 115.700 -0.087 0.000 2.399 409 S HA -0.103 4.366 4.470 -0.000 0.000 0.231 409 S C 2.041 176.602 174.600 -0.065 0.000 1.022 409 S CA 1.323 59.484 58.200 -0.065 0.000 0.983 409 S CB -0.180 62.946 63.200 -0.122 0.000 0.803 409 S HN 0.135 nan 8.310 nan 0.000 0.480 410 S N 1.749 117.420 115.700 -0.048 0.000 2.402 410 S HA 0.173 4.643 4.470 -0.000 0.000 0.229 410 S C 1.738 176.370 174.600 0.055 0.000 1.021 410 S CA 1.165 59.355 58.200 -0.016 0.000 0.974 410 S CB -0.445 62.759 63.200 0.006 0.000 0.800 410 S HN 0.534 nan 8.310 nan 0.000 0.484 411 I N 1.078 121.706 120.570 0.097 0.000 2.193 411 I HA -0.130 4.040 4.170 -0.000 0.000 0.240 411 I C 2.067 178.252 176.117 0.113 0.000 1.084 411 I CA 0.989 62.380 61.300 0.151 0.000 1.365 411 I CB -0.345 37.826 38.000 0.285 0.000 1.064 411 I HN 0.203 nan 8.210 nan 0.000 0.410 412 L N 0.301 121.608 121.223 0.141 0.000 2.042 412 L HA -0.235 4.104 4.340 -0.000 0.000 0.210 412 L C 2.772 179.716 176.870 0.123 0.000 1.076 412 L CA 1.363 56.261 54.840 0.098 0.000 0.749 412 L CB -0.511 41.660 42.059 0.187 0.000 0.893 412 L HN 0.173 nan 8.230 nan 0.000 0.432 413 R N -0.256 120.340 120.500 0.161 0.000 2.117 413 R HA -0.227 4.113 4.340 -0.000 0.000 0.243 413 R C 2.162 178.638 176.300 0.293 0.000 1.143 413 R CA 1.681 57.930 56.100 0.248 0.000 0.968 413 R CB -0.087 30.277 30.300 0.108 0.000 0.863 413 R HN 0.474 nan 8.270 nan 0.000 0.444 414 Q N -1.056 118.846 119.800 0.171 0.000 2.451 414 Q HA 0.002 4.341 4.340 -0.000 0.000 0.206 414 Q C 1.613 177.653 176.000 0.066 0.000 0.947 414 Q CA 0.318 56.228 55.803 0.178 0.000 0.937 414 Q CB 0.367 29.194 28.738 0.148 0.000 1.025 414 Q HN 0.284 nan 8.270 nan 0.000 0.511 415 M N -1.060 118.475 119.600 -0.109 0.000 2.200 415 M HA -0.083 4.396 4.480 -0.000 0.000 0.265 415 M C 0.988 177.057 176.300 -0.384 0.000 1.066 415 M CA 1.515 56.605 55.300 -0.349 0.000 1.127 415 M CB -0.564 31.650 32.600 -0.642 0.000 1.379 415 M HN 0.219 nan 8.290 nan 0.000 0.420 416 Y N -2.639 117.612 120.300 -0.080 0.000 2.500 416 Y HA 0.066 4.616 4.550 -0.000 0.000 0.270 416 Y C 0.084 175.704 175.900 -0.465 0.000 1.134 416 Y CA -0.392 57.527 58.100 -0.302 0.000 1.293 416 Y CB -0.047 38.157 38.460 -0.426 0.000 1.063 416 Y HN 0.102 nan 8.280 nan 0.000 0.534 417 W N -0.762 120.684 121.300 0.243 0.000 2.619 417 W HA 0.383 5.043 4.660 -0.000 0.000 0.327 417 W C 0.943 177.650 176.519 0.313 0.000 1.027 417 W CA -0.600 56.922 57.345 0.295 0.000 1.233 417 W CB 1.769 31.380 29.460 0.252 0.000 1.370 417 W HN -0.352 nan 8.180 nan 0.000 0.453 418 T N 1.896 116.802 114.554 0.586 0.000 2.990 418 T HA 0.157 4.507 4.350 -0.000 0.000 0.249 418 T C 0.478 175.356 174.700 0.297 0.000 1.039 418 T CA 0.186 62.507 62.100 0.368 0.000 1.036 418 T CB -0.083 68.921 68.868 0.227 0.000 0.994 418 T HN 0.435 nan 8.240 nan 0.000 0.489 419 R N -0.384 120.318 120.500 0.337 0.000 1.385 419 R HA 0.003 4.343 4.340 -0.000 0.000 0.414 419 R C -0.127 176.128 176.300 -0.075 0.000 1.295 419 R CA 0.426 56.548 56.100 0.036 0.000 0.975 419 R CB -1.204 29.056 30.300 -0.067 0.000 3.046 419 R HN 0.628 nan 8.270 nan 0.000 0.499 420 G N 3.670 112.465 108.800 -0.009 0.000 2.896 420 G HA2 0.699 4.659 3.960 -0.000 0.000 0.247 420 G HA3 0.699 4.659 3.960 -0.000 0.000 0.247 420 G C -2.869 172.040 174.900 0.015 0.000 1.187 420 G CA -0.490 44.458 45.100 -0.253 0.000 0.837 420 G HN 0.442 nan 8.290 nan 0.000 0.559 421 P HA 0.153 nan 4.420 nan 0.000 0.273 421 P C -0.629 176.913 177.300 0.403 0.000 1.250 421 P CA -0.298 62.900 63.100 0.163 0.000 0.793 421 P CB 0.647 32.401 31.700 0.090 0.000 1.011 422 N N 0.115 118.966 118.700 0.252 0.000 2.497 422 N HA 0.165 4.905 4.740 -0.000 0.000 0.268 422 N C 0.205 175.890 175.510 0.293 0.000 1.171 422 N CA -0.007 53.183 53.050 0.233 0.000 0.948 422 N CB -0.041 38.511 38.487 0.109 0.000 1.069 422 N HN 0.640 nan 8.380 nan 0.000 0.460 423 H N -1.315 117.735 119.070 -0.033 0.000 2.966 423 H HA 0.360 4.916 4.556 -0.000 0.000 0.330 423 H C -0.392 174.833 175.328 -0.172 0.000 1.292 423 H CA -0.934 55.035 56.048 -0.132 0.000 1.127 423 H CB 1.409 30.967 29.762 -0.340 0.000 1.863 423 H HN 0.328 nan 8.280 nan 0.000 0.543 424 E N -0.696 119.356 120.200 -0.246 0.000 2.364 424 E HA -0.002 4.347 4.350 -0.000 0.000 0.196 424 E C -0.376 176.014 176.600 -0.350 0.000 0.990 424 E CA 0.250 56.495 56.400 -0.260 0.000 0.886 424 E CB 0.651 30.273 29.700 -0.131 0.000 0.866 424 E HN 0.383 nan 8.360 nan 0.000 0.493 425 D N 0.099 120.232 120.400 -0.444 0.000 2.464 425 D HA 0.125 4.764 4.640 -0.000 0.000 0.243 425 D C -2.070 173.972 176.300 -0.431 0.000 1.104 425 D CA -2.468 51.349 54.000 -0.306 0.000 0.883 425 D CB 1.398 42.130 40.800 -0.114 0.000 1.050 425 D HN -0.206 nan 8.370 nan 0.000 0.524 426 P HA -0.173 nan 4.420 nan 0.000 0.217 426 P C 1.406 178.852 177.300 0.244 0.000 1.148 426 P CA 1.130 64.189 63.100 -0.068 0.000 0.828 426 P CB 0.180 31.896 31.700 0.026 0.000 0.783 427 S N -1.383 114.412 115.700 0.159 0.000 2.469 427 S HA -0.125 4.345 4.470 -0.000 0.000 0.238 427 S C 0.781 175.470 174.600 0.149 0.000 0.998 427 S CA 0.376 58.672 58.200 0.159 0.000 0.957 427 S CB -1.135 62.127 63.200 0.103 0.000 0.764 427 S HN 0.232 nan 8.310 nan 0.000 0.514 428 E N 2.012 122.297 120.200 0.142 0.000 2.502 428 E HA 0.110 4.460 4.350 -0.000 0.000 0.261 428 E C -0.369 176.453 176.600 0.370 0.000 0.974 428 E CA 0.286 56.797 56.400 0.185 0.000 0.936 428 E CB 0.369 30.092 29.700 0.039 0.000 0.926 428 E HN 0.259 nan 8.360 nan 0.000 0.459 429 T N 3.150 117.932 114.554 0.380 0.000 2.922 429 T HA 0.433 4.783 4.350 -0.000 0.000 0.285 429 T C -0.070 174.871 174.700 0.401 0.000 1.005 429 T CA -0.446 61.868 62.100 0.357 0.000 1.061 429 T CB 0.838 69.809 68.868 0.172 0.000 1.007 429 T HN 0.337 nan 8.240 nan 0.000 0.502 430 M N 3.674 123.398 119.600 0.206 0.000 2.464 430 M HA 0.469 4.949 4.480 -0.000 0.000 0.308 430 M C -0.743 175.513 176.300 -0.073 0.000 1.127 430 M CA -1.308 53.916 55.300 -0.127 0.000 0.913 430 M CB 1.249 33.547 32.600 -0.504 0.000 1.689 430 M HN 0.516 nan 8.290 nan 0.000 0.445 431 I N 2.935 123.445 120.570 -0.100 0.000 2.618 431 I HA 0.313 4.482 4.170 -0.000 0.000 0.284 431 I C -2.368 173.722 176.117 -0.045 0.000 1.146 431 I CA -2.086 59.180 61.300 -0.057 0.000 1.425 431 I CB -0.959 37.011 38.000 -0.050 0.000 1.383 431 I HN 0.452 nan 8.210 nan 0.000 0.562 432 P HA -0.019 nan 4.420 nan 0.000 0.255 432 P C -0.267 177.048 177.300 0.024 0.000 1.161 432 P CA 0.652 63.755 63.100 0.005 0.000 0.768 432 P CB -0.228 31.446 31.700 -0.043 0.000 0.746 433 H N 0.231 119.253 119.070 -0.079 0.000 2.408 433 H HA 0.278 4.834 4.556 -0.000 0.000 0.352 433 H C 1.298 176.609 175.328 -0.029 0.000 1.607 433 H CA -0.311 55.696 56.048 -0.069 0.000 1.445 433 H CB 0.179 29.887 29.762 -0.091 0.000 1.664 433 H HN 0.260 nan 8.280 nan 0.000 0.605 434 S N -1.316 114.245 115.700 -0.232 0.000 2.507 434 S HA -0.126 4.343 4.470 -0.000 0.000 0.235 434 S C 1.160 175.576 174.600 -0.308 0.000 0.988 434 S CA 0.651 58.734 58.200 -0.195 0.000 0.944 434 S CB -0.095 63.073 63.200 -0.053 0.000 0.762 434 S HN 0.697 nan 8.310 nan 0.000 0.526 435 Q N 0.059 119.419 119.800 -0.734 0.000 2.246 435 Q HA 0.297 4.637 4.340 -0.000 0.000 0.222 435 Q C 1.798 177.588 176.000 -0.349 0.000 0.851 435 Q CA 0.073 55.621 55.803 -0.426 0.000 0.945 435 Q CB 0.138 28.774 28.738 -0.170 0.000 1.122 435 Q HN 0.543 nan 8.270 nan 0.000 0.508 436 R N 1.719 121.911 120.500 -0.515 0.000 2.115 436 R HA -0.006 4.334 4.340 -0.000 0.000 0.226 436 R C -0.988 175.245 176.300 -0.113 0.000 1.100 436 R CA 0.996 56.997 56.100 -0.165 0.000 0.980 436 R CB -0.964 29.310 30.300 -0.045 0.000 0.875 436 R HN 0.106 nan 8.270 nan 0.000 0.445 437 P HA -0.088 nan 4.420 nan 0.000 0.217 437 P C 0.914 178.262 177.300 0.079 0.000 1.150 437 P CA 1.289 64.379 63.100 -0.016 0.000 0.832 437 P CB 0.009 31.798 31.700 0.149 0.000 0.787 438 I N -0.708 119.901 120.570 0.065 0.000 2.202 438 I HA -0.244 3.925 4.170 -0.000 0.000 0.242 438 I C 2.746 178.915 176.117 0.086 0.000 1.091 438 I CA 1.405 62.763 61.300 0.097 0.000 1.368 438 I CB -0.614 37.429 38.000 0.071 0.000 1.058 438 I HN -0.008 nan 8.210 nan 0.000 0.410 439 Q N 0.784 120.616 119.800 0.055 0.000 2.084 439 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 439 Q C 2.335 178.361 176.000 0.042 0.000 0.978 439 Q CA 1.591 57.434 55.803 0.067 0.000 0.844 439 Q CB 0.042 28.828 28.738 0.080 0.000 0.898 439 Q HN 0.315 nan 8.270 nan 0.000 0.426 440 L N 0.371 121.580 121.223 -0.023 0.000 2.012 440 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 440 L C 2.463 179.320 176.870 -0.022 0.000 1.073 440 L CA 1.773 56.547 54.840 -0.111 0.000 0.748 440 L CB -0.972 40.890 42.059 -0.328 0.000 0.891 440 L HN 0.394 nan 8.230 nan 0.000 0.431 441 M N -1.094 118.568 119.600 0.102 0.000 2.117 441 M HA -0.178 4.302 4.480 -0.000 0.000 0.262 441 M C 2.430 178.850 176.300 0.199 0.000 1.065 441 M CA 1.606 57.049 55.300 0.238 0.000 1.114 441 M CB -0.461 32.331 32.600 0.321 0.000 1.361 441 M HN 0.130 nan 8.290 nan 0.000 0.408 442 S N 0.121 115.913 115.700 0.154 0.000 2.383 442 S HA -0.101 4.369 4.470 -0.000 0.000 0.229 442 S C 1.803 176.485 174.600 0.136 0.000 1.030 442 S CA 1.398 59.682 58.200 0.141 0.000 1.002 442 S CB -0.505 62.772 63.200 0.128 0.000 0.829 442 S HN 0.524 nan 8.310 nan 0.000 0.467 443 L N 0.566 121.855 121.223 0.110 0.000 2.179 443 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 443 L C 2.097 179.038 176.870 0.119 0.000 1.096 443 L CA 0.616 55.519 54.840 0.105 0.000 0.779 443 L CB -0.345 41.741 42.059 0.046 0.000 0.922 443 L HN 0.280 nan 8.230 nan 0.000 0.443 444 L N -0.631 120.656 121.223 0.107 0.000 2.056 444 L HA -0.106 4.233 4.340 -0.000 0.000 0.207 444 L C 2.652 179.757 176.870 0.392 0.000 1.078 444 L CA 1.315 56.249 54.840 0.157 0.000 0.749 444 L CB -0.995 41.144 42.059 0.134 0.000 0.901 444 L HN 0.298 nan 8.230 nan 0.000 0.433 445 G N -0.457 108.530 108.800 0.310 0.000 2.476 445 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.218 445 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.218 445 G C 1.428 176.446 174.900 0.197 0.000 1.164 445 G CA 0.548 45.800 45.100 0.253 0.000 0.768 445 G HN 0.290 nan 8.290 nan 0.000 0.560 446 E N 0.854 121.174 120.200 0.200 0.000 2.150 446 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 446 E C 2.892 179.748 176.600 0.427 0.000 0.985 446 E CA 0.938 57.491 56.400 0.254 0.000 0.814 446 E CB -0.444 29.408 29.700 0.254 0.000 0.752 446 E HN 0.400 nan 8.360 nan 0.000 0.466 447 A N 1.605 124.720 122.820 0.493 0.000 1.898 447 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 447 A C 2.438 180.472 177.584 0.749 0.000 1.181 447 A CA 1.739 54.205 52.037 0.713 0.000 0.620 447 A CB -0.516 18.704 19.000 0.366 0.000 0.819 447 A HN 0.256 nan 8.150 nan 0.000 0.442 448 A N -0.211 122.987 122.820 0.629 0.000 2.024 448 A HA -0.054 4.266 4.320 -0.000 0.000 0.220 448 A C 2.006 179.857 177.584 0.444 0.000 1.164 448 A CA 1.416 53.693 52.037 0.400 0.000 0.643 448 A CB -0.602 18.507 19.000 0.182 0.000 0.806 448 A HN 0.498 nan 8.150 nan 0.000 0.451 449 L N -1.253 120.216 121.223 0.410 0.000 2.376 449 L HA -0.099 4.241 4.340 -0.000 0.000 0.219 449 L C 1.896 178.901 176.870 0.226 0.000 1.133 449 L CA 0.629 55.694 54.840 0.375 0.000 0.816 449 L CB -0.524 41.684 42.059 0.247 0.000 0.933 449 L HN 0.494 nan 8.230 nan 0.000 0.449 450 H N -0.185 119.077 119.070 0.321 0.000 2.553 450 H HA 0.225 4.781 4.556 -0.000 0.000 0.265 450 H C 1.208 176.644 175.328 0.180 0.000 0.964 450 H CA 0.754 56.920 56.048 0.195 0.000 1.156 450 H CB 0.565 30.352 29.762 0.043 0.000 1.411 450 H HN 0.363 nan 8.280 nan 0.000 0.558 451 G N 1.232 110.182 108.800 0.251 0.000 2.655 451 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.680 451 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.680 451 G C -1.774 173.229 174.900 0.172 0.000 1.302 451 G CA -0.288 44.863 45.100 0.085 0.000 0.872 451 G HN 0.010 nan 8.290 nan 0.000 0.540 452 P HA -0.089 nan 4.420 nan 0.000 0.215 452 P C 2.025 179.433 177.300 0.181 0.000 1.153 452 P CA 3.000 66.171 63.100 0.119 0.000 0.853 452 P CB -0.199 31.529 31.700 0.046 0.000 0.788 453 A N -0.621 122.297 122.820 0.162 0.000 1.873 453 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 453 A C 2.164 179.861 177.584 0.188 0.000 1.186 453 A CA 1.257 53.383 52.037 0.148 0.000 0.616 453 A CB -1.757 17.318 19.000 0.125 0.000 0.823 453 A HN 0.135 nan 8.150 nan 0.000 0.442 454 F N -1.156 118.858 119.950 0.107 0.000 2.186 454 F HA -0.112 4.415 4.527 -0.001 0.000 0.299 454 F C 2.062 177.937 175.800 0.125 0.000 1.090 454 F CA 1.482 59.535 58.000 0.089 0.000 1.307 454 F CB -0.445 38.605 39.000 0.084 0.000 1.019 454 F HN 0.369 nan 8.300 nan 0.000 0.489 455 Y N 0.375 120.721 120.300 0.078 0.000 2.224 455 Y HA -0.209 4.341 4.550 -0.000 0.000 0.289 455 Y C 2.625 178.475 175.900 -0.082 0.000 1.146 455 Y CA 1.843 59.940 58.100 -0.006 0.000 1.182 455 Y CB -0.724 37.797 38.460 0.102 0.000 0.983 455 Y HN 0.034 nan 8.280 nan 0.000 0.524 456 S N 0.203 115.939 115.700 0.060 0.000 2.353 456 S HA -0.271 4.198 4.470 -0.000 0.000 0.222 456 S C 2.031 176.534 174.600 -0.161 0.000 1.035 456 S CA 1.736 59.914 58.200 -0.036 0.000 1.025 456 S CB -0.423 62.791 63.200 0.025 0.000 0.902 456 S HN 0.480 nan 8.310 nan 0.000 0.440 457 K N 0.775 121.063 120.400 -0.188 0.000 2.020 457 K HA -0.133 4.187 4.320 -0.000 0.000 0.212 457 K C 1.904 178.296 176.600 -0.347 0.000 1.050 457 K CA 1.567 57.713 56.287 -0.235 0.000 0.929 457 K CB -0.254 32.109 32.500 -0.228 0.000 0.714 457 K HN 0.206 nan 8.250 nan 0.000 0.443 458 I N 1.493 121.741 120.570 -0.537 0.000 2.286 458 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 458 I C 2.264 178.126 176.117 -0.425 0.000 1.115 458 I CA 1.218 62.206 61.300 -0.521 0.000 1.392 458 I CB -1.345 36.292 38.000 -0.605 0.000 1.065 458 I HN 0.168 nan 8.210 nan 0.000 0.418 459 S N 0.870 116.296 115.700 -0.456 0.000 2.370 459 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 459 S C 1.936 176.396 174.600 -0.234 0.000 1.033 459 S CA 1.212 59.191 58.200 -0.368 0.000 1.011 459 S CB -0.179 62.809 63.200 -0.353 0.000 0.852 459 S HN 0.457 nan 8.310 nan 0.000 0.457 460 K N 0.904 121.185 120.400 -0.198 0.000 2.063 460 K HA -0.039 4.281 4.320 -0.000 0.000 0.208 460 K C 2.049 178.555 176.600 -0.157 0.000 1.048 460 K CA 1.069 57.271 56.287 -0.141 0.000 0.928 460 K CB -0.430 32.004 32.500 -0.110 0.000 0.713 460 K HN 0.315 nan 8.250 nan 0.000 0.442 461 L N 0.521 121.620 121.223 -0.207 0.000 2.027 461 L HA -0.186 4.154 4.340 -0.000 0.000 0.206 461 L C 2.424 179.145 176.870 -0.249 0.000 1.074 461 L CA 0.900 55.601 54.840 -0.231 0.000 0.745 461 L CB -0.592 41.276 42.059 -0.318 0.000 0.898 461 L HN -0.025 nan 8.230 nan 0.000 0.433 462 V N 0.340 120.078 119.914 -0.292 0.000 2.287 462 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 462 V C 2.343 178.254 176.094 -0.304 0.000 1.053 462 V CA 1.995 64.081 62.300 -0.357 0.000 1.027 462 V CB -0.339 31.210 31.823 -0.456 0.000 0.646 462 V HN 0.314 nan 8.190 nan 0.000 0.447 463 I N 0.160 120.608 120.570 -0.203 0.000 2.179 463 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 463 I C 2.657 178.715 176.117 -0.099 0.000 1.088 463 I CA 1.527 62.760 61.300 -0.112 0.000 1.357 463 I CB -0.596 37.370 38.000 -0.057 0.000 1.051 463 I HN 0.297 nan 8.210 nan 0.000 0.409 464 A N 0.242 123.000 122.820 -0.104 0.000 1.902 464 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 464 A C 2.324 179.857 177.584 -0.085 0.000 1.181 464 A CA 1.858 53.848 52.037 -0.078 0.000 0.623 464 A CB -0.688 18.271 19.000 -0.069 0.000 0.818 464 A HN 0.501 nan 8.150 nan 0.000 0.443 465 E N -0.054 120.073 120.200 -0.122 0.000 2.058 465 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 465 E C 1.852 178.389 176.600 -0.105 0.000 0.997 465 E CA 1.510 57.839 56.400 -0.117 0.000 0.801 465 E CB -0.234 29.370 29.700 -0.160 0.000 0.746 465 E HN 0.622 nan 8.360 nan 0.000 0.450 466 L N 0.413 121.554 121.223 -0.137 0.000 2.291 466 L HA -0.074 4.266 4.340 -0.000 0.000 0.214 466 L C 2.672 179.513 176.870 -0.048 0.000 1.120 466 L CA 0.791 55.568 54.840 -0.104 0.000 0.799 466 L CB -0.242 41.729 42.059 -0.147 0.000 0.925 466 L HN 0.098 nan 8.230 nan 0.000 0.446 467 K N 0.961 121.335 120.400 -0.044 0.000 2.057 467 K HA -0.253 4.067 4.320 -0.000 0.000 0.206 467 K C 2.039 178.627 176.600 -0.019 0.000 1.050 467 K CA 1.580 57.854 56.287 -0.022 0.000 0.935 467 K CB 0.016 32.503 32.500 -0.022 0.000 0.715 467 K HN 0.217 nan 8.250 nan 0.000 0.439 468 E N -0.591 119.593 120.200 -0.026 0.000 2.171 468 E HA -0.163 4.187 4.350 -0.000 0.000 0.197 468 E C 1.416 178.008 176.600 -0.014 0.000 0.997 468 E CA 1.532 57.921 56.400 -0.018 0.000 0.810 468 E CB -0.248 29.440 29.700 -0.020 0.000 0.738 468 E HN 0.492 nan 8.360 nan 0.000 0.467 469 G N -1.184 107.604 108.800 -0.020 0.000 3.141 469 G HA2 0.212 4.172 3.960 -0.000 0.000 0.218 469 G HA3 0.212 4.172 3.960 -0.000 0.000 0.218 469 G C 0.995 175.891 174.900 -0.006 0.000 1.170 469 G CA 0.164 45.254 45.100 -0.016 0.000 0.769 469 G HN 0.525 nan 8.290 nan 0.000 0.546 470 G N -0.337 108.461 108.800 -0.003 0.000 2.179 470 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 470 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 470 G C 0.314 175.223 174.900 0.015 0.000 0.977 470 G CA 0.486 45.589 45.100 0.005 0.000 0.641 470 G HN 0.493 nan 8.290 nan 0.000 0.533 471 M N 0.701 120.312 119.600 0.018 0.000 2.364 471 M HA 0.503 4.983 4.480 -0.000 0.000 0.334 471 M C 0.873 177.207 176.300 0.056 0.000 1.107 471 M CA -0.211 55.114 55.300 0.043 0.000 0.988 471 M CB 1.488 34.120 32.600 0.053 0.000 1.673 471 M HN 0.131 nan 8.290 nan 0.000 0.441 472 D N 1.023 121.470 120.400 0.078 0.000 2.240 472 D HA 0.068 4.708 4.640 -0.000 0.000 0.206 472 D C 0.097 176.475 176.300 0.129 0.000 0.963 472 D CA 0.073 54.121 54.000 0.079 0.000 0.863 472 D CB 0.037 40.875 40.800 0.062 0.000 0.973 472 D HN 0.430 nan 8.370 nan 0.000 0.501 473 F N 0.821 120.726 119.950 -0.075 0.000 2.018 473 F HA -0.227 4.300 4.527 -0.000 0.000 0.390 473 F C -1.211 174.453 175.800 -0.226 0.000 1.152 473 F CA -0.494 57.330 58.000 -0.294 0.000 1.260 473 F CB -0.202 38.584 39.000 -0.356 0.000 2.012 473 F HN 0.146 nan 8.300 nan 0.000 0.728 474 Y N 4.715 124.596 120.300 -0.699 0.000 2.491 474 Y HA 0.623 5.173 4.550 -0.000 0.000 0.334 474 Y C -0.548 175.065 175.900 -0.478 0.000 0.969 474 Y CA -1.524 56.300 58.100 -0.460 0.000 1.241 474 Y CB 0.384 38.586 38.460 -0.430 0.000 1.105 474 Y HN 0.399 nan 8.280 nan 0.000 0.503 475 V N 6.159 126.023 119.914 -0.083 0.000 2.389 475 V HA 0.226 4.345 4.120 -0.000 0.000 0.264 475 V C -1.840 174.304 176.094 0.083 0.000 1.049 475 V CA -1.700 60.651 62.300 0.086 0.000 0.932 475 V CB 0.265 32.164 31.823 0.126 0.000 1.011 475 V HN 0.653 nan 8.190 nan 0.000 0.475 476 P HA 0.138 nan 4.420 nan 0.000 0.267 476 P C 0.248 177.604 177.300 0.094 0.000 1.200 476 P CA -0.277 62.803 63.100 -0.033 0.000 0.772 476 P CB 0.403 32.026 31.700 -0.130 0.000 0.855 477 R N 2.368 122.850 120.500 -0.029 0.000 2.698 477 R HA -0.063 4.277 4.340 -0.000 0.000 0.266 477 R C 1.477 177.724 176.300 -0.089 0.000 1.026 477 R CA 0.198 56.295 56.100 -0.005 0.000 1.102 477 R CB 0.153 30.420 30.300 -0.055 0.000 0.978 477 R HN 0.595 nan 8.270 nan 0.000 0.436 478 Q N 2.420 122.106 119.800 -0.190 0.000 2.084 478 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 478 Q C 0.859 176.709 176.000 -0.248 0.000 0.978 478 Q CA 1.961 57.411 55.803 -0.587 0.000 0.844 478 Q CB 0.297 28.782 28.738 -0.422 0.000 0.898 478 Q HN 0.530 nan 8.270 nan 0.000 0.426 479 E N 0.345 120.492 120.200 -0.087 0.000 2.015 479 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 479 E C -0.822 175.859 176.600 0.135 0.000 0.991 479 E CA 1.649 58.066 56.400 0.028 0.000 0.802 479 E CB -1.070 28.641 29.700 0.018 0.000 0.759 479 E HN 0.399 nan 8.360 nan 0.000 0.447 480 P HA -0.179 nan 4.420 nan 0.000 0.218 480 P C 1.369 178.901 177.300 0.387 0.000 1.148 480 P CA 1.202 64.432 63.100 0.218 0.000 0.822 480 P CB 0.035 31.772 31.700 0.061 0.000 0.784 481 M N -1.298 118.462 119.600 0.267 0.000 2.132 481 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 481 M C 1.963 178.443 176.300 0.300 0.000 1.065 481 M CA 1.680 57.212 55.300 0.386 0.000 1.122 481 M CB -1.355 31.359 32.600 0.191 0.000 1.365 481 M HN -0.171 nan 8.290 nan 0.000 0.411 482 F N 0.370 120.345 119.950 0.041 0.000 2.146 482 F HA -0.100 4.426 4.527 -0.001 0.000 0.298 482 F C 2.059 177.868 175.800 0.016 0.000 1.096 482 F CA 1.668 59.660 58.000 -0.014 0.000 1.275 482 F CB -0.288 38.676 39.000 -0.059 0.000 1.008 482 F HN 0.073 nan 8.300 nan 0.000 0.480 483 R N -0.302 120.348 120.500 0.251 0.000 2.152 483 R HA -0.214 4.126 4.340 -0.000 0.000 0.232 483 R C 2.293 178.714 176.300 0.202 0.000 1.117 483 R CA 1.564 57.831 56.100 0.278 0.000 0.981 483 R CB -0.958 29.578 30.300 0.393 0.000 0.870 483 R HN 0.626 nan 8.270 nan 0.000 0.451 484 W N 0.777 122.100 121.300 0.040 0.000 2.409 484 W HA -0.119 4.541 4.660 -0.001 0.000 0.299 484 W C 1.264 177.677 176.519 -0.177 0.000 1.203 484 W CA 0.810 58.127 57.345 -0.047 0.000 1.298 484 W CB 0.085 29.501 29.460 -0.073 0.000 1.127 484 W HN 0.029 nan 8.180 nan 0.000 0.528 485 M N 0.545 119.859 119.600 -0.475 0.000 2.288 485 M HA -0.072 4.408 4.480 -0.000 0.000 0.266 485 M C 2.024 177.938 176.300 -0.643 0.000 1.072 485 M CA 1.305 56.170 55.300 -0.726 0.000 1.132 485 M CB -1.226 31.069 32.600 -0.507 0.000 1.386 485 M HN -0.021 nan 8.290 nan 0.000 0.432 486 R N 0.100 120.074 120.500 -0.875 0.000 2.100 486 R HA 0.003 4.343 4.340 -0.000 0.000 0.220 486 R C 0.970 176.648 176.300 -1.035 0.000 1.091 486 R CA 1.493 56.850 56.100 -1.238 0.000 0.986 486 R CB -0.037 28.942 30.300 -2.202 0.000 0.888 486 R HN 0.229 nan 8.270 nan 0.000 0.444 487 F N -1.012 118.744 119.950 -0.323 0.000 2.798 487 F HA 0.370 4.898 4.527 0.001 0.000 0.328 487 F C 0.408 176.102 175.800 -0.177 0.000 1.098 487 F CA -0.144 57.741 58.000 -0.191 0.000 1.172 487 F CB 0.455 39.385 39.000 -0.117 0.000 1.072 487 F HN -0.192 nan 8.300 nan 0.000 0.555 488 S N 1.070 116.646 115.700 -0.206 0.000 3.581 488 S HA -0.259 4.210 4.470 -0.000 0.000 0.354 488 S C -0.166 174.525 174.600 0.151 0.000 1.059 488 S CA 0.939 58.936 58.200 -0.339 0.000 1.060 488 S CB -1.515 61.496 63.200 -0.315 0.000 0.908 488 S HN 0.555 nan 8.310 nan 0.000 0.475 489 D N -0.054 120.506 120.400 0.267 0.000 2.210 489 D HA 0.537 5.176 4.640 -0.000 0.000 0.249 489 D C 0.694 177.226 176.300 0.388 0.000 1.078 489 D CA -0.410 53.770 54.000 0.299 0.000 0.875 489 D CB 0.574 41.514 40.800 0.232 0.000 1.175 489 D HN 0.233 nan 8.370 nan 0.000 0.440 490 L N 2.479 123.859 121.223 0.261 0.000 3.016 490 L HA 0.100 4.440 4.340 -0.000 0.000 0.267 490 L C 1.791 178.779 176.870 0.196 0.000 1.182 490 L CA -0.078 54.883 54.840 0.202 0.000 0.997 490 L CB 0.234 42.290 42.059 -0.006 0.000 1.354 490 L HN 0.423 nan 8.230 nan 0.000 0.569 491 S N -2.090 113.704 115.700 0.157 0.000 2.469 491 S HA -0.117 4.353 4.470 -0.000 0.000 0.238 491 S C 1.490 176.158 174.600 0.113 0.000 0.998 491 S CA 1.481 59.746 58.200 0.110 0.000 0.957 491 S CB -0.224 63.020 63.200 0.074 0.000 0.764 491 S HN 0.309 nan 8.310 nan 0.000 0.514 492 T N 0.183 114.831 114.554 0.156 0.000 3.004 492 T HA 0.186 4.536 4.350 -0.000 0.000 0.266 492 T C 0.048 174.832 174.700 0.139 0.000 0.986 492 T CA -0.720 61.453 62.100 0.123 0.000 0.902 492 T CB -0.064 68.874 68.868 0.116 0.000 1.118 492 T HN 0.563 nan 8.240 nan 0.000 0.522 493 W N 3.131 124.436 121.300 0.009 0.000 2.231 493 W HA 0.119 4.778 4.660 -0.001 0.000 0.341 493 W C -0.485 176.010 176.519 -0.040 0.000 1.298 493 W CA 0.514 57.843 57.345 -0.026 0.000 1.266 493 W CB 0.360 29.770 29.460 -0.083 0.000 1.172 493 W HN 0.185 nan 8.180 nan 0.000 0.568 494 E N 2.715 122.475 120.200 -0.733 0.000 2.199 494 E HA 0.481 4.831 4.350 -0.000 0.000 0.269 494 E C 0.415 176.735 176.600 -0.466 0.000 0.899 494 E CA 0.014 56.141 56.400 -0.454 0.000 0.772 494 E CB 1.527 30.997 29.700 -0.383 0.000 1.155 494 E HN 0.728 nan 8.360 nan 0.000 0.408 495 G N 3.329 112.026 108.800 -0.171 0.000 2.642 495 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.231 495 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.231 495 G C -0.486 174.469 174.900 0.092 0.000 1.338 495 G CA -0.390 44.662 45.100 -0.080 0.000 0.883 495 G HN 0.639 nan 8.290 nan 0.000 0.570 496 D N 1.045 121.484 120.400 0.064 0.000 2.417 496 D HA 0.152 4.792 4.640 -0.000 0.000 0.250 496 D C 2.030 178.417 176.300 0.145 0.000 1.166 496 D CA 0.219 54.258 54.000 0.064 0.000 0.881 496 D CB 0.571 41.360 40.800 -0.018 0.000 1.164 496 D HN 0.625 nan 8.370 nan 0.000 0.467 497 R N 3.148 123.636 120.500 -0.018 0.000 2.237 497 R HA -0.083 4.257 4.340 -0.000 0.000 0.219 497 R C 0.729 176.801 176.300 -0.380 0.000 1.080 497 R CA 0.520 56.420 56.100 -0.334 0.000 0.995 497 R CB -0.145 29.955 30.300 -0.332 0.000 0.875 497 R HN 0.228 nan 8.270 nan 0.000 0.462 498 N N 1.231 119.828 118.700 -0.172 0.000 2.443 498 N HA -0.062 4.678 4.740 -0.000 0.000 0.184 498 N C 1.548 176.999 175.510 -0.098 0.000 1.037 498 N CA 0.874 53.846 53.050 -0.129 0.000 0.896 498 N CB -0.054 38.394 38.487 -0.064 0.000 0.959 498 N HN 0.338 nan 8.380 nan 0.000 0.442 499 L N 0.050 121.246 121.223 -0.045 0.000 2.418 499 L HA 0.173 4.513 4.340 -0.000 0.000 0.218 499 L C 0.738 177.612 176.870 0.006 0.000 1.125 499 L CA -0.226 54.669 54.840 0.091 0.000 0.835 499 L CB -0.344 41.869 42.059 0.256 0.000 0.953 499 L HN -0.020 nan 8.230 nan 0.000 0.454 500 A N 2.561 125.080 122.820 -0.501 0.000 2.526 500 A HA 0.177 4.497 4.320 -0.000 0.000 0.267 500 A C -1.994 175.374 177.584 -0.360 0.000 1.095 500 A CA -0.845 50.526 52.037 -1.110 0.000 0.775 500 A CB -0.873 16.723 19.000 -2.340 0.000 1.036 500 A HN 0.027 nan 8.150 nan 0.000 0.510 501 P HA 0.184 nan 4.420 nan 0.000 0.274 501 P C -0.036 177.443 177.300 0.299 0.000 1.231 501 P CA -0.218 63.001 63.100 0.197 0.000 0.790 501 P CB 0.954 32.785 31.700 0.217 0.000 0.951 502 S N 1.460 117.280 115.700 0.200 0.000 2.617 502 S HA 0.354 4.824 4.470 -0.000 0.000 0.269 502 S C 0.202 174.872 174.600 0.115 0.000 1.292 502 S CA -0.591 57.719 58.200 0.183 0.000 1.010 502 S CB -0.132 63.180 63.200 0.187 0.000 0.944 502 S HN 0.236 nan 8.310 nan 0.000 0.536 503 F N 1.111 121.105 119.950 0.073 0.000 2.629 503 F HA 0.173 4.699 4.527 -0.001 0.000 0.369 503 F C 1.000 176.846 175.800 0.078 0.000 1.125 503 F CA -0.142 57.894 58.000 0.060 0.000 1.330 503 F CB 0.366 39.379 39.000 0.021 0.000 1.071 503 F HN 0.498 nan 8.300 nan 0.000 0.595 504 V N 2.636 122.708 119.914 0.264 0.000 2.432 504 V HA 0.300 4.420 4.120 -0.000 0.000 0.271 504 V C 0.140 176.333 176.094 0.165 0.000 1.046 504 V CA -0.377 62.037 62.300 0.189 0.000 0.945 504 V CB 1.207 33.124 31.823 0.156 0.000 0.992 504 V HN 0.932 nan 8.190 nan 0.000 0.471 505 N N 2.357 121.135 118.700 0.130 0.000 2.218 505 N HA 0.218 4.958 4.740 -0.000 0.000 0.224 505 N C -0.298 175.274 175.510 0.103 0.000 1.248 505 N CA 0.182 53.290 53.050 0.096 0.000 0.875 505 N CB 0.926 39.446 38.487 0.054 0.000 1.165 505 N HN 0.866 nan 8.380 nan 0.000 0.485 506 E N 0.000 120.266 120.200 0.111 0.000 2.725 506 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 506 E CA 0.000 56.467 56.400 0.111 0.000 0.976 506 E CB 0.000 29.762 29.700 0.104 0.000 0.812 506 E HN 0.000 nan 8.360 nan 0.000 0.440