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 2zj1_1_A DATA FIRST_RESID 11 DATA SEQUENCE LTPDVRNGID FKIADLSLAD FGRKELRIAE HEMPGLMSLR REYAEVQPLK DATA SEQUENCE GARISGSLHM TVQTAVLIET LTALGAEVRW ASCNIFSTQD HAAAAVVVGP DATA SEQUENCE HGTPDEPKGV PVFAWKGETL EEYWWAAEQM LTWPDPDKPA NMILDDGGDA DATA SEQUENCE TMLVLRGMQY EKAGVVPPAE EDDPAEWKVF LNLLRTRFET DKDKWTKIAE DATA SEQUENCE SVKGVTEETT TGVLRLYQFA AAGDLAFPAI NVNDSVTKSK FDNKYGTRHS DATA SEQUENCE LIDGINRGTD ALIGGKKVLI CGYGDVGKGC AEAMKGQGAR VSVTEIDPIN DATA SEQUENCE ALQAMMEGFD VVTVEEAIGD ADIVVTATGN KDIIMLEHIK AMKDHAILGN DATA SEQUENCE IGHFDNEIDM AGLERSGATR VNVKPQVDLW TFGDTGRSII VLSEGRLLNL DATA SEQUENCE GNATGHPSFV MSNSFANQTI AQIELWTKND EYDNEVYRLP KHLDEKVARI DATA SEQUENCE HVEALGGHLT KLTKEQAEYL GVDVEGPYKP DHYRY 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.672 176.870 -0.329 0.000 1.165 11 L CA 0.000 54.534 54.840 -0.509 0.000 0.813 11 L CB 0.000 41.451 42.059 -1.013 0.000 0.961 12 T N 0.669 115.133 114.554 -0.151 0.000 2.893 12 T HA 0.731 5.081 4.350 0.000 0.000 0.293 12 T C -2.862 171.967 174.700 0.216 0.000 1.027 12 T CA -2.007 60.167 62.100 0.123 0.000 0.988 12 T CB 2.344 71.243 68.868 0.052 0.000 1.043 12 T HN 0.182 nan 8.240 nan 0.000 0.461 13 P HA 0.256 nan 4.420 nan 0.000 0.269 13 P C -0.678 176.610 177.300 -0.020 0.000 1.209 13 P CA -0.130 63.157 63.100 0.312 0.000 0.776 13 P CB 0.487 32.392 31.700 0.343 0.000 0.876 14 D N 0.602 120.823 120.400 -0.298 0.000 2.304 14 D HA 0.299 4.939 4.640 0.000 0.000 0.247 14 D C -0.305 175.636 176.300 -0.598 0.000 1.089 14 D CA 0.007 53.688 54.000 -0.531 0.000 0.910 14 D CB 1.329 41.618 40.800 -0.851 0.000 1.199 14 D HN 0.016 nan 8.370 nan 0.000 0.426 15 V N 3.149 122.897 119.914 -0.276 0.000 2.577 15 V HA 0.432 4.552 4.120 0.000 0.000 0.303 15 V C -0.228 175.912 176.094 0.077 0.000 1.042 15 V CA -0.773 61.488 62.300 -0.065 0.000 0.872 15 V CB 1.988 33.805 31.823 -0.009 0.000 0.998 15 V HN 0.385 nan 8.190 nan 0.000 0.423 16 R N 3.748 124.398 120.500 0.250 0.000 2.515 16 R HA 0.427 4.767 4.340 0.000 0.000 0.291 16 R C 0.033 176.415 176.300 0.136 0.000 1.046 16 R CA -0.800 55.425 56.100 0.208 0.000 0.914 16 R CB 1.223 31.689 30.300 0.278 0.000 1.191 16 R HN 0.810 nan 8.270 nan 0.000 0.435 17 N N 1.239 119.985 118.700 0.078 0.000 2.735 17 N HA -0.228 4.513 4.740 0.000 0.000 0.248 17 N C 0.655 176.195 175.510 0.049 0.000 1.083 17 N CA 1.885 54.964 53.050 0.049 0.000 0.703 17 N CB -0.901 37.605 38.487 0.031 0.000 1.005 17 N HN 1.084 nan 8.380 nan 0.000 0.550 18 G N -1.632 107.204 108.800 0.059 0.000 2.179 18 G HA2 -0.298 3.662 3.960 0.000 0.000 0.260 18 G HA3 -0.298 3.662 3.960 0.000 0.000 0.260 18 G C 0.156 175.095 174.900 0.064 0.000 0.977 18 G CA 0.413 45.544 45.100 0.051 0.000 0.641 18 G HN 0.554 nan 8.290 nan 0.000 0.533 19 I N 2.703 123.332 120.570 0.098 0.000 2.321 19 I HA 0.347 4.518 4.170 0.000 0.000 0.291 19 I C -0.151 176.111 176.117 0.241 0.000 0.998 19 I CA -1.019 60.356 61.300 0.125 0.000 1.227 19 I CB 1.213 39.259 38.000 0.077 0.000 1.368 19 I HN 0.213 nan 8.210 nan 0.000 0.466 20 D N 7.286 127.777 120.400 0.152 0.000 2.264 20 D HA 0.547 5.187 4.640 0.000 0.000 0.249 20 D C -0.529 175.779 176.300 0.014 0.000 1.070 20 D CA -0.148 53.909 54.000 0.095 0.000 0.912 20 D CB 1.565 42.455 40.800 0.149 0.000 1.193 20 D HN 0.407 nan 8.370 nan 0.000 0.427 21 F N -2.090 117.675 119.950 -0.307 0.000 2.858 21 F HA 0.660 5.187 4.527 0.000 0.000 0.319 21 F C -1.689 173.920 175.800 -0.317 0.000 1.166 21 F CA -1.315 56.221 58.000 -0.773 0.000 0.899 21 F CB 1.444 40.182 39.000 -0.436 0.000 1.332 21 F HN 0.271 nan 8.300 nan 0.000 0.461 22 K N 2.252 122.604 120.400 -0.081 0.000 2.619 22 K HA 0.741 5.061 4.320 0.000 0.000 0.251 22 K C -1.653 175.164 176.600 0.361 0.000 0.987 22 K CA -0.323 56.095 56.287 0.218 0.000 0.844 22 K CB 1.556 34.434 32.500 0.630 0.000 1.237 22 K HN 0.910 nan 8.250 nan 0.000 0.447 23 I N -0.258 120.462 120.570 0.251 0.000 3.279 23 I HA 0.716 4.886 4.170 0.000 0.000 0.315 23 I C 0.446 176.609 176.117 0.076 0.000 1.225 23 I CA -1.087 60.375 61.300 0.271 0.000 0.947 23 I CB 1.928 40.072 38.000 0.239 0.000 1.293 23 I HN 0.450 nan 8.210 nan 0.000 0.468 24 A N 0.909 123.808 122.820 0.132 0.000 1.855 24 A HA -0.010 4.310 4.320 0.000 0.000 0.215 24 A C 0.557 178.164 177.584 0.039 0.000 1.191 24 A CA 2.276 54.343 52.037 0.050 0.000 0.613 24 A CB -0.446 18.645 19.000 0.152 0.000 0.829 24 A HN 0.888 nan 8.150 nan 0.000 0.442 25 D N -2.564 117.882 120.400 0.077 0.000 2.369 25 D HA 0.232 4.872 4.640 0.000 0.000 0.212 25 D C 0.032 176.367 176.300 0.058 0.000 1.326 25 D CA -0.564 53.474 54.000 0.064 0.000 0.933 25 D CB 0.445 41.285 40.800 0.065 0.000 1.516 25 D HN -0.082 nan 8.370 nan 0.000 0.557 26 L N 3.113 124.363 121.223 0.044 0.000 2.191 26 L HA -0.044 4.296 4.340 0.000 0.000 0.212 26 L C 2.157 179.027 176.870 -0.001 0.000 1.103 26 L CA 2.249 57.081 54.840 -0.013 0.000 0.769 26 L CB -0.751 41.295 42.059 -0.021 0.000 0.908 26 L HN 0.570 nan 8.230 nan 0.000 0.438 27 S N -1.849 113.868 115.700 0.028 0.000 2.515 27 S HA -0.073 4.397 4.470 0.000 0.000 0.231 27 S C 1.804 176.442 174.600 0.063 0.000 0.987 27 S CA 0.364 58.585 58.200 0.034 0.000 0.936 27 S CB -0.626 62.594 63.200 0.033 0.000 0.766 27 S HN 0.489 nan 8.310 nan 0.000 0.528 28 L N 0.796 122.072 121.223 0.089 0.000 2.549 28 L HA 0.083 4.423 4.340 0.000 0.000 0.229 28 L C 2.909 179.868 176.870 0.148 0.000 1.158 28 L CA 0.593 55.530 54.840 0.162 0.000 0.842 28 L CB -0.805 41.374 42.059 0.199 0.000 0.952 28 L HN 0.465 nan 8.230 nan 0.000 0.452 29 A N 0.372 123.227 122.820 0.058 0.000 1.908 29 A HA -0.243 4.077 4.320 0.000 0.000 0.218 29 A C 1.901 179.506 177.584 0.035 0.000 1.181 29 A CA 2.026 54.067 52.037 0.006 0.000 0.627 29 A CB -0.392 18.582 19.000 -0.044 0.000 0.818 29 A HN 0.319 nan 8.150 nan 0.000 0.445 30 D N -1.132 119.312 120.400 0.073 0.000 2.123 30 D HA -0.135 4.505 4.640 0.000 0.000 0.196 30 D C 1.569 177.976 176.300 0.179 0.000 0.992 30 D CA 1.218 55.273 54.000 0.092 0.000 0.833 30 D CB -0.426 40.422 40.800 0.081 0.000 0.954 30 D HN 0.421 nan 8.370 nan 0.000 0.455 31 F N 1.580 121.564 119.950 0.057 0.000 2.102 31 F HA -0.046 4.481 4.527 0.000 0.000 0.298 31 F C 2.253 178.158 175.800 0.174 0.000 1.105 31 F CA 1.788 59.850 58.000 0.103 0.000 1.239 31 F CB -0.872 38.188 39.000 0.099 0.000 0.991 31 F HN -0.026 nan 8.300 nan 0.000 0.474 32 G N 0.029 108.833 108.800 0.007 0.000 2.476 32 G HA2 -0.368 3.592 3.960 0.000 0.000 0.218 32 G HA3 -0.368 3.592 3.960 0.000 0.000 0.218 32 G C 1.798 176.585 174.900 -0.188 0.000 1.164 32 G CA 1.052 45.991 45.100 -0.269 0.000 0.768 32 G HN 0.333 nan 8.290 nan 0.000 0.560 33 R N 0.866 121.320 120.500 -0.076 0.000 2.092 33 R HA 0.062 4.402 4.340 0.000 0.000 0.231 33 R C 2.428 178.717 176.300 -0.019 0.000 1.119 33 R CA 1.506 57.568 56.100 -0.062 0.000 0.970 33 R CB -0.442 29.832 30.300 -0.043 0.000 0.864 33 R HN 0.370 nan 8.270 nan 0.000 0.440 34 K N 0.107 120.530 120.400 0.039 0.000 2.057 34 K HA -0.115 4.205 4.320 0.000 0.000 0.207 34 K C 1.938 178.571 176.600 0.054 0.000 1.049 34 K CA 1.728 58.059 56.287 0.074 0.000 0.931 34 K CB -0.050 32.541 32.500 0.152 0.000 0.714 34 K HN 0.317 nan 8.250 nan 0.000 0.440 35 E N 0.441 120.649 120.200 0.013 0.000 2.152 35 E HA -0.133 4.218 4.350 0.000 0.000 0.192 35 E C 1.944 178.525 176.600 -0.032 0.000 0.983 35 E CA 0.639 57.036 56.400 -0.004 0.000 0.818 35 E CB 0.044 29.721 29.700 -0.039 0.000 0.758 35 E HN 0.105 nan 8.360 nan 0.000 0.467 36 L N 0.957 122.130 121.223 -0.083 0.000 2.046 36 L HA -0.165 4.175 4.340 0.000 0.000 0.208 36 L C 2.351 179.209 176.870 -0.019 0.000 1.077 36 L CA 1.582 56.376 54.840 -0.078 0.000 0.747 36 L CB -0.390 41.594 42.059 -0.125 0.000 0.896 36 L HN -0.015 nan 8.230 nan 0.000 0.432 37 R N -0.671 119.833 120.500 0.007 0.000 2.081 37 R HA -0.114 4.226 4.340 0.000 0.000 0.235 37 R C 2.308 178.712 176.300 0.174 0.000 1.131 37 R CA 1.415 57.554 56.100 0.066 0.000 0.960 37 R CB -0.499 29.842 30.300 0.069 0.000 0.856 37 R HN 0.318 nan 8.270 nan 0.000 0.436 38 I N 0.621 121.268 120.570 0.129 0.000 2.226 38 I HA -0.277 3.893 4.170 0.000 0.000 0.245 38 I C 2.609 178.824 176.117 0.164 0.000 1.100 38 I CA 1.302 62.686 61.300 0.140 0.000 1.374 38 I CB -0.389 37.655 38.000 0.074 0.000 1.057 38 I HN 0.198 nan 8.210 nan 0.000 0.413 39 A N 0.422 123.301 122.820 0.099 0.000 1.933 39 A HA -0.236 4.085 4.320 0.000 0.000 0.218 39 A C 2.163 179.796 177.584 0.081 0.000 1.175 39 A CA 1.696 53.782 52.037 0.082 0.000 0.628 39 A CB -0.616 18.407 19.000 0.037 0.000 0.814 39 A HN 0.450 nan 8.150 nan 0.000 0.444 40 E N -0.898 119.331 120.200 0.048 0.000 2.097 40 E HA -0.271 4.079 4.350 0.000 0.000 0.196 40 E C 1.770 178.336 176.600 -0.056 0.000 1.000 40 E CA 1.719 58.102 56.400 -0.029 0.000 0.804 40 E CB -0.354 29.290 29.700 -0.093 0.000 0.740 40 E HN 0.837 nan 8.360 nan 0.000 0.454 41 H N -0.012 119.077 119.070 0.032 0.000 2.489 41 H HA -0.019 4.537 4.556 0.000 0.000 0.293 41 H C 1.353 176.735 175.328 0.091 0.000 1.066 41 H CA 0.967 57.044 56.048 0.048 0.000 1.305 41 H CB 0.271 30.060 29.762 0.045 0.000 1.386 41 H HN 0.028 nan 8.280 nan 0.000 0.551 42 E N -0.254 120.075 120.200 0.214 0.000 2.501 42 E HA 0.141 4.491 4.350 0.000 0.000 0.201 42 E C -0.156 176.556 176.600 0.187 0.000 1.016 42 E CA 0.126 56.693 56.400 0.278 0.000 0.920 42 E CB 0.540 30.384 29.700 0.241 0.000 1.023 42 E HN 0.502 nan 8.360 nan 0.000 0.474 43 M N 1.528 121.167 119.600 0.066 0.000 2.944 43 M HA 0.184 4.664 4.480 0.000 0.000 0.235 43 M C -1.919 174.333 176.300 -0.081 0.000 1.188 43 M CA -1.444 53.844 55.300 -0.019 0.000 0.688 43 M CB 1.354 33.965 32.600 0.018 0.000 1.406 43 M HN -0.225 nan 8.290 nan 0.000 0.479 44 P HA -0.090 nan 4.420 nan 0.000 0.222 44 P C 1.369 178.513 177.300 -0.259 0.000 1.147 44 P CA 1.339 64.312 63.100 -0.210 0.000 0.790 44 P CB 0.113 31.663 31.700 -0.251 0.000 0.780 45 G N 0.546 109.165 108.800 -0.302 0.000 2.402 45 G HA2 -0.177 3.783 3.960 0.000 0.000 0.216 45 G HA3 -0.177 3.783 3.960 0.000 0.000 0.216 45 G C 1.645 176.534 174.900 -0.018 0.000 1.162 45 G CA 0.384 45.415 45.100 -0.116 0.000 0.777 45 G HN 0.234 nan 8.290 nan 0.000 0.539 46 L N -0.076 121.145 121.223 -0.003 0.000 2.095 46 L HA 0.032 4.372 4.340 0.000 0.000 0.204 46 L C 2.985 179.849 176.870 -0.011 0.000 1.080 46 L CA 0.447 55.294 54.840 0.012 0.000 0.759 46 L CB -0.259 41.815 42.059 0.025 0.000 0.914 46 L HN 0.131 nan 8.230 nan 0.000 0.439 47 M N -0.855 118.722 119.600 -0.037 0.000 2.229 47 M HA -0.142 4.338 4.480 0.000 0.000 0.264 47 M C 2.556 178.838 176.300 -0.031 0.000 1.063 47 M CA 1.378 56.651 55.300 -0.045 0.000 1.114 47 M CB -1.299 31.256 32.600 -0.074 0.000 1.387 47 M HN 0.182 nan 8.290 nan 0.000 0.420 48 S N 0.382 116.061 115.700 -0.035 0.000 2.383 48 S HA -0.018 4.452 4.470 0.000 0.000 0.227 48 S C 1.961 176.581 174.600 0.033 0.000 1.026 48 S CA 0.746 58.935 58.200 -0.018 0.000 0.981 48 S CB -0.030 63.143 63.200 -0.044 0.000 0.818 48 S HN 0.455 nan 8.310 nan 0.000 0.472 49 L N 0.630 121.891 121.223 0.063 0.000 2.109 49 L HA 0.056 4.396 4.340 0.000 0.000 0.207 49 L C 2.914 179.885 176.870 0.168 0.000 1.086 49 L CA 0.942 55.878 54.840 0.160 0.000 0.760 49 L CB -0.414 41.720 42.059 0.125 0.000 0.910 49 L HN 0.229 nan 8.230 nan 0.000 0.437 50 R N -0.133 120.412 120.500 0.075 0.000 2.096 50 R HA -0.171 4.169 4.340 0.000 0.000 0.240 50 R C 2.497 178.833 176.300 0.059 0.000 1.139 50 R CA 1.570 57.702 56.100 0.054 0.000 0.952 50 R CB -0.263 30.042 30.300 0.008 0.000 0.854 50 R HN 0.329 nan 8.270 nan 0.000 0.436 51 R N 0.224 120.745 120.500 0.034 0.000 2.070 51 R HA -0.179 4.161 4.340 0.000 0.000 0.232 51 R C 2.333 178.635 176.300 0.004 0.000 1.138 51 R CA 1.646 57.754 56.100 0.013 0.000 0.936 51 R CB -0.396 29.901 30.300 -0.006 0.000 0.839 51 R HN 0.360 nan 8.270 nan 0.000 0.429 52 E N -0.245 119.953 120.200 -0.003 0.000 2.118 52 E HA -0.210 4.140 4.350 0.000 0.000 0.195 52 E C 0.790 177.267 176.600 -0.206 0.000 0.992 52 E CA 1.363 57.688 56.400 -0.125 0.000 0.804 52 E CB 0.120 29.719 29.700 -0.168 0.000 0.741 52 E HN 0.392 nan 8.360 nan 0.000 0.458 53 Y N -1.374 118.930 120.300 0.006 0.000 2.481 53 Y HA 0.368 4.918 4.550 0.000 0.000 0.247 53 Y C 1.662 177.567 175.900 0.010 0.000 1.151 53 Y CA 0.192 58.299 58.100 0.012 0.000 1.238 53 Y CB 0.478 38.947 38.460 0.016 0.000 1.179 53 Y HN 0.113 nan 8.280 nan 0.000 0.524 54 A N 0.368 123.259 122.820 0.119 0.000 1.892 54 A HA -0.275 4.045 4.320 0.000 0.000 0.218 54 A C 2.056 179.675 177.584 0.058 0.000 1.188 54 A CA 2.328 54.408 52.037 0.072 0.000 0.631 54 A CB -0.400 18.624 19.000 0.040 0.000 0.822 54 A HN 0.398 nan 8.150 nan 0.000 0.447 55 E N -0.142 120.083 120.200 0.041 0.000 2.017 55 E HA -0.123 4.227 4.350 0.000 0.000 0.193 55 E C 1.863 178.494 176.600 0.052 0.000 0.997 55 E CA 1.666 58.085 56.400 0.032 0.000 0.804 55 E CB -0.502 29.203 29.700 0.009 0.000 0.757 55 E HN 0.230 nan 8.360 nan 0.000 0.448 56 V N 0.770 120.727 119.914 0.072 0.000 2.317 56 V HA -0.303 3.817 4.120 0.000 0.000 0.251 56 V C 0.679 176.846 176.094 0.122 0.000 1.065 56 V CA 1.795 64.161 62.300 0.111 0.000 1.049 56 V CB -0.732 31.206 31.823 0.192 0.000 0.651 56 V HN 0.480 nan 8.190 nan 0.000 0.450 57 Q N -1.608 118.265 119.800 0.122 0.000 2.443 57 Q HA -0.210 4.130 4.340 0.000 0.000 0.337 57 Q C -1.273 174.792 176.000 0.109 0.000 1.401 57 Q CA 1.112 56.972 55.803 0.095 0.000 0.943 57 Q CB -1.490 27.288 28.738 0.066 0.000 1.177 57 Q HN 0.561 nan 8.270 nan 0.000 0.394 58 P HA -0.121 nan 4.420 nan 0.000 0.221 58 P C 1.082 178.486 177.300 0.173 0.000 1.150 58 P CA 0.912 64.097 63.100 0.142 0.000 0.800 58 P CB 0.173 31.912 31.700 0.064 0.000 0.787 59 L N -0.983 120.256 121.223 0.027 0.000 2.653 59 L HA 0.210 4.551 4.340 0.000 0.000 0.231 59 L C 1.167 177.931 176.870 -0.177 0.000 1.153 59 L CA -0.432 54.306 54.840 -0.169 0.000 0.933 59 L CB -0.417 41.484 42.059 -0.264 0.000 1.175 59 L HN -0.132 nan 8.230 nan 0.000 0.473 60 K N 0.912 121.331 120.400 0.031 0.000 2.491 60 K HA 0.119 4.439 4.320 0.000 0.000 0.279 60 K C 1.247 177.923 176.600 0.126 0.000 1.026 60 K CA 1.134 57.453 56.287 0.053 0.000 1.070 60 K CB 0.224 32.781 32.500 0.094 0.000 0.887 60 K HN 0.270 nan 8.250 nan 0.000 0.481 61 G N 1.938 110.743 108.800 0.010 0.000 2.217 61 G HA2 -0.289 3.671 3.960 0.000 0.000 0.246 61 G HA3 -0.289 3.671 3.960 0.000 0.000 0.246 61 G C 0.080 174.836 174.900 -0.241 0.000 0.990 61 G CA 0.020 45.159 45.100 0.065 0.000 0.627 61 G HN 0.913 nan 8.290 nan 0.000 0.522 62 A N 0.395 122.733 122.820 -0.804 0.000 2.440 62 A HA 0.708 5.028 4.320 0.000 0.000 0.251 62 A C 0.665 177.839 177.584 -0.683 0.000 1.089 62 A CA 0.156 51.386 52.037 -1.345 0.000 0.779 62 A CB 0.232 18.285 19.000 -1.577 0.000 1.022 62 A HN 0.468 nan 8.150 nan 0.000 0.492 63 R N 2.640 122.723 120.500 -0.695 0.000 2.335 63 R HA 0.352 4.692 4.340 0.000 0.000 0.302 63 R C -1.237 174.786 176.300 -0.461 0.000 1.147 63 R CA -0.083 55.542 56.100 -0.792 0.000 1.111 63 R CB 0.868 30.248 30.300 -1.533 0.000 1.122 63 R HN 0.698 nan 8.270 nan 0.000 0.557 64 I N 1.618 122.166 120.570 -0.037 0.000 2.312 64 I HA 0.109 4.279 4.170 0.000 0.000 0.291 64 I C 0.273 176.555 176.117 0.275 0.000 1.031 64 I CA -0.070 61.258 61.300 0.047 0.000 1.293 64 I CB 1.618 39.626 38.000 0.013 0.000 1.403 64 I HN 0.346 nan 8.210 nan 0.000 0.484 65 S N 4.838 120.635 115.700 0.162 0.000 2.399 65 S HA 0.444 4.914 4.470 0.000 0.000 0.301 65 S C 0.348 174.787 174.600 -0.268 0.000 1.093 65 S CA -0.566 57.678 58.200 0.072 0.000 1.077 65 S CB 0.769 64.055 63.200 0.144 0.000 0.980 65 S HN 0.790 nan 8.310 nan 0.000 0.494 66 G N 1.606 110.021 108.800 -0.643 0.000 2.417 66 G HA2 0.485 4.445 3.960 0.000 0.000 0.320 66 G HA3 0.485 4.445 3.960 0.000 0.000 0.320 66 G C -0.656 173.369 174.900 -1.458 0.000 1.204 66 G CA -0.473 43.755 45.100 -1.453 0.000 0.923 66 G HN 0.546 nan 8.290 nan 0.000 0.466 67 S N 2.560 117.732 115.700 -0.880 0.000 2.577 67 S HA 0.658 5.128 4.470 0.000 0.000 0.294 67 S C -0.718 173.655 174.600 -0.377 0.000 1.161 67 S CA -0.640 57.220 58.200 -0.566 0.000 1.143 67 S CB -0.267 62.740 63.200 -0.323 0.000 0.991 67 S HN 0.582 nan 8.310 nan 0.000 0.475 68 L N 4.847 125.917 121.223 -0.256 0.000 2.611 68 L HA 0.397 4.737 4.340 0.000 0.000 0.260 68 L C -0.710 176.289 176.870 0.215 0.000 0.924 68 L CA -0.789 54.062 54.840 0.018 0.000 0.901 68 L CB 1.379 43.582 42.059 0.241 0.000 1.369 68 L HN 0.685 nan 8.230 nan 0.000 0.415 69 H N 4.328 123.530 119.070 0.220 0.000 3.199 69 H HA -0.159 4.397 4.556 0.000 0.000 0.267 69 H C 0.226 175.682 175.328 0.212 0.000 0.848 69 H CA 0.441 56.601 56.048 0.187 0.000 1.426 69 H CB 0.291 30.137 29.762 0.140 0.000 1.350 69 H HN 0.419 nan 8.280 nan 0.000 0.527 70 M N 4.774 124.539 119.600 0.275 0.000 3.237 70 M HA 0.047 4.527 4.480 0.000 0.000 0.266 70 M C 0.009 176.366 176.300 0.094 0.000 1.456 70 M CA -0.275 55.127 55.300 0.171 0.000 1.593 70 M CB -0.726 31.978 32.600 0.174 0.000 1.129 70 M HN 0.629 nan 8.290 nan 0.000 0.547 71 T N -1.363 113.241 114.554 0.083 0.000 2.922 71 T HA 0.474 4.824 4.350 0.000 0.000 0.281 71 T C 1.115 175.786 174.700 -0.048 0.000 1.005 71 T CA -0.936 61.193 62.100 0.048 0.000 0.982 71 T CB 0.833 69.764 68.868 0.105 0.000 1.158 71 T HN 0.117 nan 8.240 nan 0.000 0.566 72 V N 1.223 121.093 119.914 -0.073 0.000 2.392 72 V HA -0.176 3.944 4.120 0.000 0.000 0.249 72 V C 2.822 178.887 176.094 -0.048 0.000 1.059 72 V CA 1.951 64.174 62.300 -0.129 0.000 1.051 72 V CB -1.071 30.689 31.823 -0.104 0.000 0.658 72 V HN 0.780 nan 8.190 nan 0.000 0.455 73 Q N -0.460 119.372 119.800 0.054 0.000 2.083 73 Q HA -0.100 4.240 4.340 0.000 0.000 0.198 73 Q C 2.348 178.478 176.000 0.216 0.000 0.969 73 Q CA 1.934 57.838 55.803 0.169 0.000 0.838 73 Q CB -0.822 28.051 28.738 0.226 0.000 0.900 73 Q HN 0.590 nan 8.270 nan 0.000 0.436 74 T N 0.699 115.339 114.554 0.142 0.000 2.788 74 T HA -0.139 4.211 4.350 0.000 0.000 0.268 74 T C 1.834 176.285 174.700 -0.414 0.000 1.044 74 T CA 1.157 63.130 62.100 -0.212 0.000 1.139 74 T CB -0.397 68.415 68.868 -0.093 0.000 0.867 74 T HN 0.405 nan 8.240 nan 0.000 0.454 75 A N 1.016 123.656 122.820 -0.299 0.000 1.940 75 A HA -0.071 4.249 4.320 0.000 0.000 0.219 75 A C 2.550 179.962 177.584 -0.287 0.000 1.176 75 A CA 1.439 53.274 52.037 -0.337 0.000 0.631 75 A CB -0.933 17.907 19.000 -0.267 0.000 0.814 75 A HN 0.387 nan 8.150 nan 0.000 0.446 76 V N -0.300 119.502 119.914 -0.188 0.000 2.453 76 V HA -0.192 3.928 4.120 0.000 0.000 0.247 76 V C 2.441 178.435 176.094 -0.166 0.000 1.048 76 V CA 1.697 63.917 62.300 -0.134 0.000 1.049 76 V CB -0.837 30.958 31.823 -0.047 0.000 0.672 76 V HN 0.598 nan 8.190 nan 0.000 0.457 77 L N 0.440 121.522 121.223 -0.236 0.000 1.989 77 L HA -0.166 4.174 4.340 0.000 0.000 0.211 77 L C 2.234 178.876 176.870 -0.380 0.000 1.071 77 L CA 2.020 56.650 54.840 -0.350 0.000 0.749 77 L CB -0.589 41.019 42.059 -0.752 0.000 0.890 77 L HN 0.214 nan 8.230 nan 0.000 0.431 78 I N -0.269 119.966 120.570 -0.558 0.000 2.151 78 I HA -0.333 3.837 4.170 0.000 0.000 0.243 78 I C 2.272 178.202 176.117 -0.311 0.000 1.080 78 I CA 1.859 62.821 61.300 -0.564 0.000 1.339 78 I CB -0.481 37.056 38.000 -0.771 0.000 1.039 78 I HN 0.399 nan 8.210 nan 0.000 0.409 79 E N -0.230 119.808 120.200 -0.270 0.000 2.482 79 E HA -0.099 4.251 4.350 0.000 0.000 0.196 79 E C 1.913 178.431 176.600 -0.137 0.000 1.047 79 E CA 0.898 57.187 56.400 -0.186 0.000 0.869 79 E CB 0.025 29.618 29.700 -0.179 0.000 0.836 79 E HN 0.496 nan 8.360 nan 0.000 0.520 80 T N 1.058 115.529 114.554 -0.139 0.000 2.894 80 T HA 0.001 4.351 4.350 0.000 0.000 0.258 80 T C 1.929 176.575 174.700 -0.091 0.000 1.043 80 T CA 0.440 62.483 62.100 -0.094 0.000 1.141 80 T CB 0.009 68.829 68.868 -0.080 0.000 0.873 80 T HN 0.087 nan 8.240 nan 0.000 0.449 81 L N 1.535 122.690 121.223 -0.114 0.000 2.046 81 L HA -0.116 4.224 4.340 0.000 0.000 0.208 81 L C 3.065 179.883 176.870 -0.087 0.000 1.077 81 L CA 1.665 56.445 54.840 -0.099 0.000 0.747 81 L CB -1.298 40.712 42.059 -0.081 0.000 0.896 81 L HN 0.437 nan 8.230 nan 0.000 0.432 82 T N -2.530 111.971 114.554 -0.088 0.000 2.812 82 T HA -0.057 4.294 4.350 0.000 0.000 0.264 82 T C 2.004 176.675 174.700 -0.049 0.000 1.042 82 T CA 0.782 62.843 62.100 -0.065 0.000 1.140 82 T CB -0.398 68.430 68.868 -0.068 0.000 0.870 82 T HN 0.276 nan 8.240 nan 0.000 0.445 83 A N 1.453 124.243 122.820 -0.050 0.000 2.024 83 A HA 0.173 4.494 4.320 0.000 0.000 0.220 83 A C 2.271 179.849 177.584 -0.009 0.000 1.164 83 A CA 1.128 53.150 52.037 -0.025 0.000 0.643 83 A CB -0.833 18.153 19.000 -0.025 0.000 0.806 83 A HN 0.601 nan 8.150 nan 0.000 0.451 84 L N -1.948 119.260 121.223 -0.025 0.000 2.592 84 L HA 0.243 4.583 4.340 0.000 0.000 0.227 84 L C 1.624 178.480 176.870 -0.024 0.000 1.127 84 L CA 0.584 55.416 54.840 -0.014 0.000 0.884 84 L CB -0.004 42.026 42.059 -0.049 0.000 1.065 84 L HN 0.596 nan 8.230 nan 0.000 0.457 85 G N -0.233 108.547 108.800 -0.033 0.000 2.231 85 G HA2 -0.209 3.751 3.960 0.000 0.000 0.206 85 G HA3 -0.209 3.751 3.960 0.000 0.000 0.206 85 G C 0.433 175.288 174.900 -0.075 0.000 0.996 85 G CA -0.128 44.951 45.100 -0.035 0.000 0.645 85 G HN 0.409 nan 8.290 nan 0.000 0.498 86 A N 0.353 123.106 122.820 -0.111 0.000 2.407 86 A HA 0.631 4.951 4.320 0.000 0.000 0.248 86 A C 0.332 177.885 177.584 -0.051 0.000 1.082 86 A CA 0.343 52.291 52.037 -0.148 0.000 0.785 86 A CB 0.311 19.211 19.000 -0.165 0.000 1.020 86 A HN 0.455 nan 8.150 nan 0.000 0.489 87 E N -0.414 119.779 120.200 -0.012 0.000 2.242 87 E HA 0.484 4.834 4.350 0.000 0.000 0.275 87 E C -0.506 176.276 176.600 0.304 0.000 1.002 87 E CA -0.541 55.955 56.400 0.160 0.000 0.841 87 E CB 1.819 31.691 29.700 0.287 0.000 1.109 87 E HN 0.659 nan 8.360 nan 0.000 0.394 88 V N 0.362 120.448 119.914 0.286 0.000 3.007 88 V HA 0.684 4.804 4.120 0.000 0.000 0.311 88 V C -1.236 174.912 176.094 0.090 0.000 1.120 88 V CA -0.878 61.607 62.300 0.309 0.000 0.980 88 V CB 2.126 34.120 31.823 0.284 0.000 1.033 88 V HN 0.635 nan 8.190 nan 0.000 0.429 89 R N 3.358 123.899 120.500 0.069 0.000 2.628 89 R HA 0.549 4.890 4.340 0.000 0.000 0.288 89 R C -1.720 174.675 176.300 0.158 0.000 0.980 89 R CA -0.475 55.583 56.100 -0.070 0.000 0.891 89 R CB 2.292 32.284 30.300 -0.513 0.000 1.188 89 R HN 0.867 nan 8.270 nan 0.000 0.450 90 W N 1.422 122.716 121.300 -0.010 0.000 2.936 90 W HA 0.716 5.376 4.660 0.000 0.000 0.338 90 W C -1.400 175.157 176.519 0.063 0.000 1.121 90 W CA -0.419 56.924 57.345 -0.003 0.000 1.209 90 W CB 2.370 31.802 29.460 -0.046 0.000 1.420 90 W HN 0.665 nan 8.180 nan 0.000 0.516 91 A N 2.067 124.842 122.820 -0.075 0.000 2.556 91 A HA 0.547 4.867 4.320 0.000 0.000 0.294 91 A C -0.968 176.586 177.584 -0.049 0.000 1.091 91 A CA -0.474 51.557 52.037 -0.010 0.000 0.704 91 A CB 1.801 20.690 19.000 -0.186 0.000 1.300 91 A HN 0.377 nan 8.150 nan 0.000 0.406 92 S N -0.774 114.931 115.700 0.010 0.000 2.592 92 S HA 0.280 4.750 4.470 0.000 0.000 0.271 92 S C 0.992 175.538 174.600 -0.089 0.000 1.326 92 S CA 0.050 58.257 58.200 0.012 0.000 1.024 92 S CB 0.238 63.484 63.200 0.076 0.000 0.921 92 S HN 1.684 nan 8.310 nan 0.000 0.527 93 C N 3.479 122.694 119.300 -0.141 0.000 2.780 93 C HA 0.528 4.988 4.460 0.000 0.000 0.287 93 C C 0.385 175.358 174.990 -0.028 0.000 1.288 93 C CA -0.976 58.000 59.018 -0.070 0.000 1.713 93 C CB -2.025 25.599 27.740 -0.194 0.000 1.955 93 C HN 0.733 nan 8.230 nan 0.000 0.613 94 N N 0.868 119.585 118.700 0.028 0.000 2.308 94 N HA 0.336 5.076 4.740 0.000 0.000 0.283 94 N C 0.629 176.110 175.510 -0.050 0.000 1.105 94 N CA -0.387 52.627 53.050 -0.059 0.000 0.840 94 N CB 1.697 40.222 38.487 0.064 0.000 1.633 94 N HN 0.363 nan 8.380 nan 0.000 0.476 95 I N -0.808 119.584 120.570 -0.297 0.000 2.700 95 I HA 0.008 4.178 4.170 0.000 0.000 0.261 95 I C 0.259 176.239 176.117 -0.227 0.000 1.219 95 I CA 1.241 62.328 61.300 -0.355 0.000 1.463 95 I CB -0.209 37.409 38.000 -0.638 0.000 1.092 95 I HN 0.226 nan 8.210 nan 0.000 0.452 96 F N 0.893 120.852 119.950 0.013 0.000 2.706 96 F HA 0.236 4.763 4.527 0.000 0.000 0.313 96 F C 2.345 178.185 175.800 0.067 0.000 1.096 96 F CA -0.194 57.830 58.000 0.039 0.000 1.219 96 F CB -0.381 38.640 39.000 0.035 0.000 1.051 96 F HN 0.143 nan 8.300 nan 0.000 0.568 97 S N -1.908 113.945 115.700 0.254 0.000 2.524 97 S HA 0.047 4.517 4.470 0.000 0.000 0.216 97 S C 0.944 175.669 174.600 0.207 0.000 0.987 97 S CA 0.028 58.362 58.200 0.223 0.000 0.909 97 S CB -0.816 62.577 63.200 0.322 0.000 0.781 97 S HN 0.066 nan 8.310 nan 0.000 0.521 98 T N 3.328 118.003 114.554 0.201 0.000 2.928 98 T HA 0.134 4.484 4.350 0.000 0.000 0.305 98 T C -0.291 174.520 174.700 0.185 0.000 1.035 98 T CA 0.362 62.574 62.100 0.186 0.000 1.145 98 T CB 0.499 69.478 68.868 0.185 0.000 0.963 98 T HN 0.435 nan 8.240 nan 0.000 0.545 99 Q N 2.332 122.231 119.800 0.165 0.000 2.368 99 Q HA 0.187 4.527 4.340 0.000 0.000 0.256 99 Q C 0.354 176.480 176.000 0.211 0.000 0.980 99 Q CA -0.693 55.233 55.803 0.205 0.000 0.887 99 Q CB 1.209 30.067 28.738 0.199 0.000 1.221 99 Q HN 0.540 nan 8.270 nan 0.000 0.458 100 D N 1.280 121.833 120.400 0.255 0.000 2.144 100 D HA -0.195 4.445 4.640 0.000 0.000 0.199 100 D C 1.735 178.147 176.300 0.187 0.000 0.984 100 D CA 1.308 55.440 54.000 0.220 0.000 0.834 100 D CB 0.127 41.061 40.800 0.223 0.000 0.955 100 D HN 0.678 nan 8.370 nan 0.000 0.465 101 H N 0.749 119.824 119.070 0.008 0.000 2.421 101 H HA 0.074 4.630 4.556 0.000 0.000 0.298 101 H C 1.785 177.038 175.328 -0.125 0.000 1.087 101 H CA 1.521 57.525 56.048 -0.073 0.000 1.330 101 H CB -0.651 28.962 29.762 -0.248 0.000 1.388 101 H HN 0.069 nan 8.280 nan 0.000 0.526 102 A N 1.744 124.253 122.820 -0.518 0.000 1.897 102 A HA 0.170 4.490 4.320 0.000 0.000 0.215 102 A C 2.822 180.271 177.584 -0.226 0.000 1.181 102 A CA 1.747 53.515 52.037 -0.449 0.000 0.620 102 A CB -1.028 17.722 19.000 -0.417 0.000 0.821 102 A HN 0.611 nan 8.150 nan 0.000 0.443 103 A N 0.090 122.844 122.820 -0.110 0.000 1.908 103 A HA 0.103 4.423 4.320 0.000 0.000 0.218 103 A C 2.490 180.014 177.584 -0.099 0.000 1.181 103 A CA 2.223 54.224 52.037 -0.060 0.000 0.627 103 A CB -0.999 18.037 19.000 0.060 0.000 0.818 103 A HN 1.028 nan 8.150 nan 0.000 0.445 104 A N -0.208 122.565 122.820 -0.078 0.000 1.877 104 A HA 0.173 4.493 4.320 0.000 0.000 0.216 104 A C 2.516 180.008 177.584 -0.153 0.000 1.186 104 A CA 2.088 54.062 52.037 -0.105 0.000 0.620 104 A CB -1.053 17.930 19.000 -0.028 0.000 0.822 104 A HN 1.107 nan 8.150 nan 0.000 0.443 105 A N -0.595 122.133 122.820 -0.153 0.000 1.972 105 A HA 0.021 4.341 4.320 0.000 0.000 0.219 105 A C 2.197 179.665 177.584 -0.194 0.000 1.169 105 A CA 1.758 53.695 52.037 -0.168 0.000 0.635 105 A CB -0.808 18.079 19.000 -0.187 0.000 0.810 105 A HN 0.386 nan 8.150 nan 0.000 0.446 106 V N -0.499 119.286 119.914 -0.214 0.000 2.358 106 V HA -0.203 3.917 4.120 0.000 0.000 0.246 106 V C 2.545 178.504 176.094 -0.225 0.000 1.047 106 V CA 1.894 64.056 62.300 -0.230 0.000 1.035 106 V CB -0.722 30.943 31.823 -0.264 0.000 0.658 106 V HN 0.372 nan 8.190 nan 0.000 0.452 107 V N -0.308 119.450 119.914 -0.259 0.000 2.358 107 V HA -0.193 3.927 4.120 0.000 0.000 0.246 107 V C 2.396 178.316 176.094 -0.289 0.000 1.047 107 V CA 1.794 63.890 62.300 -0.340 0.000 1.035 107 V CB -0.352 31.103 31.823 -0.613 0.000 0.658 107 V HN 0.407 nan 8.190 nan 0.000 0.452 108 V N -0.389 119.378 119.914 -0.244 0.000 2.379 108 V HA 0.214 4.334 4.120 0.000 0.000 0.245 108 V C 1.300 177.310 176.094 -0.141 0.000 1.044 108 V CA 1.250 63.443 62.300 -0.178 0.000 1.036 108 V CB -1.201 30.537 31.823 -0.142 0.000 0.664 108 V HN 0.807 nan 8.190 nan 0.000 0.453 109 G N 0.147 108.853 108.800 -0.157 0.000 2.781 109 G HA2 -0.146 3.814 3.960 0.000 0.000 0.683 109 G HA3 -0.146 3.814 3.960 0.000 0.000 0.683 109 G C -1.555 173.238 174.900 -0.178 0.000 1.390 109 G CA -0.138 44.868 45.100 -0.156 0.000 0.850 109 G HN 0.226 nan 8.290 nan 0.000 0.557 110 P HA -0.031 nan 4.420 nan 0.000 0.223 110 P C 0.736 177.751 177.300 -0.476 0.000 1.151 110 P CA 1.610 64.463 63.100 -0.412 0.000 0.787 110 P CB 0.052 31.407 31.700 -0.575 0.000 0.788 111 H N -1.720 117.325 119.070 -0.040 0.000 2.923 111 H HA 0.371 4.927 4.556 0.000 0.000 0.268 111 H C 1.234 176.543 175.328 -0.032 0.000 1.148 111 H CA -0.111 55.919 56.048 -0.030 0.000 1.146 111 H CB 0.317 30.064 29.762 -0.025 0.000 1.607 111 H HN 0.071 nan 8.280 nan 0.000 0.566 112 G N 0.930 109.742 108.800 0.020 0.000 2.557 112 G HA2 0.420 4.380 3.960 0.000 0.000 0.292 112 G HA3 0.420 4.380 3.960 0.000 0.000 0.292 112 G C 0.099 174.992 174.900 -0.012 0.000 1.237 112 G CA -0.070 45.027 45.100 -0.005 0.000 0.978 112 G HN 0.245 nan 8.290 nan 0.000 0.498 113 T N -3.010 111.532 114.554 -0.020 0.000 2.887 113 T HA 0.564 4.914 4.350 0.000 0.000 0.292 113 T C -2.167 172.510 174.700 -0.039 0.000 1.087 113 T CA -1.489 60.598 62.100 -0.021 0.000 1.009 113 T CB 2.169 71.034 68.868 -0.005 0.000 1.203 113 T HN 0.139 nan 8.240 nan 0.000 0.518 114 P HA -0.098 nan 4.420 nan 0.000 0.216 114 P C 0.821 178.106 177.300 -0.024 0.000 1.154 114 P CA 1.259 64.334 63.100 -0.041 0.000 0.865 114 P CB -0.010 31.679 31.700 -0.018 0.000 0.789 115 D N -1.340 119.055 120.400 -0.008 0.000 2.234 115 D HA -0.072 4.568 4.640 0.000 0.000 0.205 115 D C 0.762 177.064 176.300 0.002 0.000 0.962 115 D CA 1.064 55.067 54.000 0.004 0.000 0.855 115 D CB -0.160 40.644 40.800 0.007 0.000 0.951 115 D HN 0.218 nan 8.370 nan 0.000 0.500 116 E N 0.820 121.016 120.200 -0.007 0.000 3.303 116 E HA 0.196 4.546 4.350 0.000 0.000 0.215 116 E C -2.641 173.945 176.600 -0.023 0.000 1.181 116 E CA -2.392 54.004 56.400 -0.007 0.000 0.998 116 E CB 0.985 30.686 29.700 0.001 0.000 1.312 116 E HN -0.057 nan 8.360 nan 0.000 0.412 117 P HA 0.108 nan 4.420 nan 0.000 0.271 117 P C -0.490 176.773 177.300 -0.062 0.000 1.216 117 P CA -0.108 62.942 63.100 -0.084 0.000 0.771 117 P CB 1.196 32.806 31.700 -0.150 0.000 0.864 118 K N 1.411 121.769 120.400 -0.069 0.000 2.536 118 K HA 0.283 4.603 4.320 0.000 0.000 0.203 118 K C 1.073 177.633 176.600 -0.068 0.000 1.063 118 K CA -0.313 55.946 56.287 -0.046 0.000 1.063 118 K CB 1.055 33.546 32.500 -0.015 0.000 0.843 118 K HN 0.523 nan 8.250 nan 0.000 0.521 119 G N 0.782 109.518 108.800 -0.107 0.000 2.882 119 G HA2 0.454 4.414 3.960 0.000 0.000 0.164 119 G HA3 0.454 4.414 3.960 0.000 0.000 0.164 119 G C -0.342 174.492 174.900 -0.109 0.000 1.429 119 G CA -0.201 44.824 45.100 -0.125 0.000 1.059 119 G HN 0.035 nan 8.290 nan 0.000 0.581 120 V N -3.071 116.765 119.914 -0.130 0.000 3.001 120 V HA 0.731 4.851 4.120 0.000 0.000 0.314 120 V C -2.906 173.117 176.094 -0.117 0.000 1.099 120 V CA -2.634 59.606 62.300 -0.100 0.000 0.989 120 V CB 1.950 33.728 31.823 -0.076 0.000 1.040 120 V HN 0.418 nan 8.190 nan 0.000 0.434 121 P HA 0.353 nan 4.420 nan 0.000 0.267 121 P C -0.877 176.322 177.300 -0.167 0.000 1.209 121 P CA 0.188 63.196 63.100 -0.152 0.000 0.763 121 P CB 0.859 32.525 31.700 -0.057 0.000 0.816 122 V N 5.101 124.819 119.914 -0.327 0.000 2.588 122 V HA 0.422 4.542 4.120 0.000 0.000 0.304 122 V C -0.561 175.319 176.094 -0.357 0.000 1.042 122 V CA -0.354 61.863 62.300 -0.138 0.000 0.877 122 V CB 1.479 33.279 31.823 -0.039 0.000 0.996 122 V HN 0.314 nan 8.190 nan 0.000 0.425 123 F N 3.502 123.561 119.950 0.182 0.000 2.451 123 F HA 0.827 5.354 4.527 0.000 0.000 0.367 123 F C 0.358 176.313 175.800 0.258 0.000 1.100 123 F CA -0.357 57.797 58.000 0.256 0.000 1.171 123 F CB 1.533 40.567 39.000 0.056 0.000 1.405 123 F HN 0.602 nan 8.300 nan 0.000 0.482 124 A N 3.045 126.168 122.820 0.505 0.000 2.565 124 A HA 0.729 5.049 4.320 0.000 0.000 0.298 124 A C -1.987 175.914 177.584 0.528 0.000 1.062 124 A CA -0.792 51.434 52.037 0.315 0.000 0.723 124 A CB 0.645 19.774 19.000 0.216 0.000 1.282 124 A HN 0.786 nan 8.150 nan 0.000 0.400 125 W N 1.203 122.613 121.300 0.184 0.000 3.146 125 W HA 0.703 5.363 4.660 0.000 0.000 0.319 125 W C -0.881 175.753 176.519 0.193 0.000 1.258 125 W CA -0.851 56.597 57.345 0.172 0.000 1.189 125 W CB 1.103 30.659 29.460 0.160 0.000 1.412 125 W HN 0.709 nan 8.180 nan 0.000 0.567 126 K N 1.860 122.472 120.400 0.354 0.000 2.349 126 K HA 0.449 4.770 4.320 0.000 0.000 0.288 126 K C 0.748 177.557 176.600 0.348 0.000 1.058 126 K CA 0.907 57.365 56.287 0.286 0.000 0.953 126 K CB 0.140 32.793 32.500 0.254 0.000 0.997 126 K HN 1.343 nan 8.250 nan 0.000 0.477 127 G N 3.306 112.323 108.800 0.362 0.000 2.215 127 G HA2 -0.196 3.764 3.960 0.000 0.000 0.198 127 G HA3 -0.196 3.764 3.960 0.000 0.000 0.198 127 G C -0.461 174.613 174.900 0.290 0.000 1.047 127 G CA -0.360 45.026 45.100 0.478 0.000 0.747 127 G HN 0.704 nan 8.290 nan 0.000 0.495 128 E N 0.934 121.095 120.200 -0.066 0.000 2.418 128 E HA 0.394 4.744 4.350 0.000 0.000 0.261 128 E C 1.402 178.012 176.600 0.017 0.000 1.070 128 E CA 0.625 56.916 56.400 -0.181 0.000 0.931 128 E CB 0.544 29.939 29.700 -0.508 0.000 0.954 128 E HN 0.505 nan 8.360 nan 0.000 0.439 129 T N -0.816 113.804 114.554 0.110 0.000 2.816 129 T HA 0.180 4.530 4.350 0.000 0.000 0.282 129 T C 1.350 176.107 174.700 0.095 0.000 0.993 129 T CA -0.718 61.447 62.100 0.109 0.000 0.994 129 T CB 0.528 69.486 68.868 0.149 0.000 1.025 129 T HN 0.394 nan 8.240 nan 0.000 0.529 130 L N 0.152 121.440 121.223 0.109 0.000 2.046 130 L HA -0.098 4.242 4.340 0.000 0.000 0.208 130 L C 2.893 179.963 176.870 0.332 0.000 1.077 130 L CA 1.561 56.513 54.840 0.186 0.000 0.747 130 L CB -0.663 41.503 42.059 0.178 0.000 0.896 130 L HN 0.719 nan 8.230 nan 0.000 0.432 131 E N 0.198 120.554 120.200 0.261 0.000 2.051 131 E HA -0.210 4.140 4.350 0.000 0.000 0.192 131 E C 2.070 178.857 176.600 0.313 0.000 0.991 131 E CA 1.130 57.697 56.400 0.277 0.000 0.799 131 E CB -0.115 29.693 29.700 0.181 0.000 0.748 131 E HN 0.435 nan 8.360 nan 0.000 0.449 132 E N -0.393 119.960 120.200 0.256 0.000 2.077 132 E HA -0.218 4.132 4.350 0.000 0.000 0.193 132 E C 1.863 178.610 176.600 0.246 0.000 0.989 132 E CA 1.047 57.622 56.400 0.292 0.000 0.800 132 E CB -0.245 29.635 29.700 0.301 0.000 0.746 132 E HN 0.328 nan 8.360 nan 0.000 0.452 133 Y N -0.358 119.933 120.300 -0.015 0.000 2.128 133 Y HA -0.271 4.279 4.550 0.000 0.000 0.284 133 Y C 1.592 177.374 175.900 -0.197 0.000 1.154 133 Y CA 1.752 59.725 58.100 -0.213 0.000 1.149 133 Y CB -0.321 37.931 38.460 -0.347 0.000 0.976 133 Y HN 0.084 nan 8.280 nan 0.000 0.505 134 W N -1.372 120.043 121.300 0.191 0.000 2.518 134 W HA -0.070 4.590 4.660 0.000 0.000 0.273 134 W C 2.187 178.745 176.519 0.064 0.000 1.247 134 W CA 0.654 58.063 57.345 0.106 0.000 1.288 134 W CB -0.776 28.811 29.460 0.212 0.000 1.107 134 W HN 0.316 nan 8.180 nan 0.000 0.586 135 W N 1.263 122.655 121.300 0.154 0.000 2.355 135 W HA -0.208 4.452 4.660 0.000 0.000 0.309 135 W C 2.337 178.836 176.519 -0.033 0.000 1.206 135 W CA 2.992 60.384 57.345 0.078 0.000 1.284 135 W CB -0.723 28.803 29.460 0.110 0.000 1.145 135 W HN -0.157 nan 8.180 nan 0.000 0.502 136 A N 1.112 123.968 122.820 0.061 0.000 1.908 136 A HA -0.146 4.174 4.320 0.000 0.000 0.218 136 A C 2.133 179.452 177.584 -0.442 0.000 1.181 136 A CA 2.907 54.775 52.037 -0.282 0.000 0.627 136 A CB -1.653 17.359 19.000 0.020 0.000 0.818 136 A HN 0.530 nan 8.150 nan 0.000 0.445 137 A N -0.437 122.134 122.820 -0.415 0.000 1.865 137 A HA -0.252 4.068 4.320 0.000 0.000 0.217 137 A C 2.053 179.519 177.584 -0.197 0.000 1.191 137 A CA 2.043 53.875 52.037 -0.342 0.000 0.623 137 A CB -0.688 18.115 19.000 -0.329 0.000 0.826 137 A HN 0.683 nan 8.150 nan 0.000 0.444 138 E N -0.997 119.127 120.200 -0.126 0.000 2.085 138 E HA -0.250 4.100 4.350 0.000 0.000 0.194 138 E C 2.234 178.629 176.600 -0.341 0.000 0.994 138 E CA 1.282 57.647 56.400 -0.059 0.000 0.801 138 E CB -0.112 29.594 29.700 0.010 0.000 0.743 138 E HN 0.554 nan 8.360 nan 0.000 0.453 139 Q N 0.180 119.524 119.800 -0.759 0.000 2.077 139 Q HA -0.228 4.112 4.340 0.000 0.000 0.206 139 Q C 2.159 177.625 176.000 -0.889 0.000 0.989 139 Q CA 1.549 56.666 55.803 -1.143 0.000 0.853 139 Q CB -0.551 26.863 28.738 -2.207 0.000 0.907 139 Q HN 0.441 nan 8.270 nan 0.000 0.418 140 M N 0.014 119.213 119.600 -0.668 0.000 2.149 140 M HA -0.150 4.330 4.480 0.000 0.000 0.261 140 M C 1.746 177.922 176.300 -0.207 0.000 1.064 140 M CA 1.463 56.574 55.300 -0.316 0.000 1.102 140 M CB -0.330 32.145 32.600 -0.209 0.000 1.369 140 M HN 0.197 nan 8.290 nan 0.000 0.408 141 L N -0.149 121.007 121.223 -0.113 0.000 2.418 141 L HA 0.007 4.347 4.340 0.000 0.000 0.218 141 L C 0.225 177.171 176.870 0.125 0.000 1.125 141 L CA 0.274 55.170 54.840 0.094 0.000 0.835 141 L CB -0.063 42.146 42.059 0.250 0.000 0.953 141 L HN 0.145 nan 8.230 nan 0.000 0.454 142 T N -0.151 114.360 114.554 -0.072 0.000 2.832 142 T HA 0.169 4.519 4.350 0.000 0.000 0.313 142 T C -0.715 173.933 174.700 -0.087 0.000 1.035 142 T CA -0.435 61.617 62.100 -0.080 0.000 0.950 142 T CB 0.025 68.777 68.868 -0.194 0.000 0.984 142 T HN 0.015 nan 8.240 nan 0.000 0.486 143 W N 4.374 125.614 121.300 -0.101 0.000 2.202 143 W HA 0.293 4.953 4.660 0.000 0.000 0.332 143 W C -0.943 175.542 176.519 -0.058 0.000 1.263 143 W CA -1.904 55.404 57.345 -0.062 0.000 1.223 143 W CB 0.249 29.678 29.460 -0.051 0.000 1.128 143 W HN 0.424 nan 8.180 nan 0.000 0.573 144 P HA -0.163 nan 4.420 nan 0.000 0.218 144 P C 0.095 177.437 177.300 0.071 0.000 1.149 144 P CA 1.429 64.568 63.100 0.065 0.000 0.817 144 P CB 0.277 32.012 31.700 0.058 0.000 0.785 145 D N 0.618 121.083 120.400 0.109 0.000 2.313 145 D HA 0.104 4.744 4.640 0.000 0.000 0.239 145 D C -1.494 174.834 176.300 0.045 0.000 1.142 145 D CA -2.482 51.558 54.000 0.066 0.000 0.847 145 D CB 1.467 42.307 40.800 0.068 0.000 1.082 145 D HN 0.014 nan 8.370 nan 0.000 0.480 146 P HA -0.040 nan 4.420 nan 0.000 0.226 146 P C 0.366 177.658 177.300 -0.014 0.000 1.153 146 P CA 0.498 63.592 63.100 -0.009 0.000 0.777 146 P CB 0.647 32.333 31.700 -0.023 0.000 0.794 147 D N 0.308 120.705 120.400 -0.006 0.000 2.289 147 D HA -0.005 4.635 4.640 0.000 0.000 0.207 147 D C 0.679 176.967 176.300 -0.020 0.000 0.966 147 D CA 0.929 54.923 54.000 -0.011 0.000 0.868 147 D CB 0.058 40.855 40.800 -0.005 0.000 0.943 147 D HN 0.294 nan 8.370 nan 0.000 0.514 148 K N 1.441 121.832 120.400 -0.016 0.000 2.724 148 K HA 0.257 4.577 4.320 0.000 0.000 0.198 148 K C -2.563 173.981 176.600 -0.092 0.000 1.099 148 K CA -1.456 54.799 56.287 -0.053 0.000 1.025 148 K CB 1.920 34.401 32.500 -0.031 0.000 1.509 148 K HN 0.034 nan 8.250 nan 0.000 0.564 149 P HA 0.031 nan 4.420 nan 0.000 0.275 149 P C -0.265 176.779 177.300 -0.426 0.000 1.266 149 P CA -0.516 62.501 63.100 -0.138 0.000 0.793 149 P CB 0.529 32.182 31.700 -0.078 0.000 1.074 150 A N 1.742 124.264 122.820 -0.498 0.000 2.587 150 A HA -0.014 4.306 4.320 0.000 0.000 0.235 150 A C 0.905 178.257 177.584 -0.388 0.000 1.044 150 A CA 0.447 52.097 52.037 -0.646 0.000 0.754 150 A CB -0.922 18.016 19.000 -0.105 0.000 0.968 150 A HN 0.738 nan 8.150 nan 0.000 0.509 151 N N 0.743 119.197 118.700 -0.410 0.000 2.170 151 N HA 0.216 4.956 4.740 0.000 0.000 0.222 151 N C -0.483 174.936 175.510 -0.151 0.000 1.218 151 N CA 0.000 52.931 53.050 -0.199 0.000 0.889 151 N CB 0.421 38.867 38.487 -0.067 0.000 1.083 151 N HN 0.505 nan 8.380 nan 0.000 0.520 152 M N 0.604 120.064 119.600 -0.233 0.000 2.465 152 M HA 0.428 4.908 4.480 0.000 0.000 0.284 152 M C -1.507 174.666 176.300 -0.212 0.000 1.212 152 M CA -0.402 54.772 55.300 -0.210 0.000 0.910 152 M CB 2.742 35.227 32.600 -0.192 0.000 1.725 152 M HN -0.148 nan 8.290 nan 0.000 0.477 153 I N 2.466 122.891 120.570 -0.241 0.000 2.474 153 I HA 0.549 4.719 4.170 0.000 0.000 0.294 153 I C -1.030 174.984 176.117 -0.172 0.000 1.005 153 I CA -0.842 60.336 61.300 -0.204 0.000 1.113 153 I CB 2.517 40.387 38.000 -0.218 0.000 1.289 153 I HN 0.555 nan 8.210 nan 0.000 0.436 154 L N 5.726 126.827 121.223 -0.202 0.000 2.342 154 L HA 0.547 4.887 4.340 0.000 0.000 0.276 154 L C -1.465 175.270 176.870 -0.226 0.000 0.997 154 L CA -0.194 54.539 54.840 -0.178 0.000 0.838 154 L CB 1.052 43.022 42.059 -0.149 0.000 1.224 154 L HN 0.515 nan 8.230 nan 0.000 0.416 155 D N 2.695 123.019 120.400 -0.127 0.000 2.575 155 D HA 0.363 5.003 4.640 0.000 0.000 0.236 155 D C -1.630 174.627 176.300 -0.073 0.000 1.075 155 D CA -0.115 53.818 54.000 -0.113 0.000 0.860 155 D CB 2.504 43.266 40.800 -0.062 0.000 1.475 155 D HN 0.434 nan 8.370 nan 0.000 0.474 156 D N 0.925 121.271 120.400 -0.090 0.000 2.358 156 D HA 0.454 5.094 4.640 0.000 0.000 0.253 156 D C 0.711 176.878 176.300 -0.222 0.000 1.288 156 D CA -0.132 53.813 54.000 -0.092 0.000 0.950 156 D CB 0.337 41.135 40.800 -0.003 0.000 1.197 156 D HN 0.565 nan 8.370 nan 0.000 0.550 157 G N 2.130 110.695 108.800 -0.390 0.000 2.176 157 G HA2 -0.070 3.890 3.960 0.000 0.000 0.232 157 G HA3 -0.070 3.890 3.960 0.000 0.000 0.232 157 G C 1.107 175.937 174.900 -0.117 0.000 0.986 157 G CA 0.464 45.148 45.100 -0.692 0.000 0.643 157 G HN 1.607 nan 8.290 nan 0.000 0.522 158 G N -0.457 108.340 108.800 -0.005 0.000 2.159 158 G HA2 -0.288 3.673 3.960 0.000 0.000 0.256 158 G HA3 -0.288 3.673 3.960 0.000 0.000 0.256 158 G C 0.792 175.824 174.900 0.221 0.000 0.977 158 G CA 1.105 46.280 45.100 0.124 0.000 0.652 158 G HN 0.641 nan 8.290 nan 0.000 0.531 159 D N 0.616 121.168 120.400 0.253 0.000 2.097 159 D HA 0.075 4.716 4.640 0.000 0.000 0.195 159 D C 2.732 179.236 176.300 0.340 0.000 0.989 159 D CA 1.849 56.078 54.000 0.382 0.000 0.827 159 D CB -0.618 40.390 40.800 0.348 0.000 0.966 159 D HN 0.699 nan 8.370 nan 0.000 0.456 160 A N 0.142 123.052 122.820 0.149 0.000 1.883 160 A HA -0.200 4.120 4.320 0.000 0.000 0.217 160 A C 2.375 180.021 177.584 0.103 0.000 1.186 160 A CA 2.368 54.456 52.037 0.085 0.000 0.624 160 A CB -1.000 17.978 19.000 -0.036 0.000 0.822 160 A HN 0.246 nan 8.150 nan 0.000 0.444 161 T N -0.315 114.303 114.554 0.106 0.000 2.777 161 T HA -0.160 4.190 4.350 0.000 0.000 0.266 161 T C 1.938 176.677 174.700 0.064 0.000 1.040 161 T CA 1.710 63.870 62.100 0.101 0.000 1.141 161 T CB -0.301 68.633 68.868 0.111 0.000 0.868 161 T HN 0.589 nan 8.240 nan 0.000 0.444 162 M N 0.644 120.363 119.600 0.199 0.000 2.086 162 M HA -0.048 4.433 4.480 0.000 0.000 0.261 162 M C 2.139 178.574 176.300 0.225 0.000 1.067 162 M CA 1.500 56.970 55.300 0.283 0.000 1.116 162 M CB -0.296 32.487 32.600 0.304 0.000 1.348 162 M HN 0.191 nan 8.290 nan 0.000 0.407 163 L N 0.228 121.591 121.223 0.234 0.000 2.042 163 L HA -0.131 4.209 4.340 0.000 0.000 0.210 163 L C 2.128 178.712 176.870 -0.477 0.000 1.076 163 L CA 1.620 56.432 54.840 -0.047 0.000 0.749 163 L CB -0.628 41.408 42.059 -0.038 0.000 0.893 163 L HN 0.249 nan 8.230 nan 0.000 0.432 164 V N -0.713 119.070 119.914 -0.219 0.000 2.379 164 V HA -0.255 3.865 4.120 0.000 0.000 0.245 164 V C 2.439 178.494 176.094 -0.066 0.000 1.044 164 V CA 1.844 64.109 62.300 -0.059 0.000 1.036 164 V CB -0.484 31.441 31.823 0.169 0.000 0.664 164 V HN 0.398 nan 8.190 nan 0.000 0.453 165 L N -0.740 120.404 121.223 -0.132 0.000 2.072 165 L HA -0.045 4.295 4.340 0.000 0.000 0.205 165 L C 2.850 179.615 176.870 -0.176 0.000 1.079 165 L CA 1.083 55.776 54.840 -0.244 0.000 0.752 165 L CB -0.576 41.058 42.059 -0.708 0.000 0.906 165 L HN 0.202 nan 8.230 nan 0.000 0.436 166 R N 0.411 120.843 120.500 -0.113 0.000 2.092 166 R HA -0.040 4.300 4.340 0.000 0.000 0.231 166 R C 2.258 178.198 176.300 -0.600 0.000 1.119 166 R CA 1.244 57.163 56.100 -0.303 0.000 0.970 166 R CB -1.232 29.052 30.300 -0.027 0.000 0.864 166 R HN 0.383 nan 8.270 nan 0.000 0.440 167 G N 1.323 109.858 108.800 -0.442 0.000 2.459 167 G HA2 -0.312 3.648 3.960 0.000 0.000 0.217 167 G HA3 -0.312 3.648 3.960 0.000 0.000 0.217 167 G C 1.526 176.393 174.900 -0.056 0.000 1.183 167 G CA 0.889 45.747 45.100 -0.404 0.000 0.776 167 G HN 0.287 nan 8.290 nan 0.000 0.552 168 M N 0.072 119.674 119.600 0.004 0.000 2.159 168 M HA -0.086 4.394 4.480 0.000 0.000 0.263 168 M C 2.625 178.905 176.300 -0.033 0.000 1.063 168 M CA 2.052 57.388 55.300 0.060 0.000 1.110 168 M CB -0.159 32.477 32.600 0.059 0.000 1.374 168 M HN 0.437 nan 8.290 nan 0.000 0.411 169 Q N -0.537 119.163 119.800 -0.166 0.000 2.050 169 Q HA -0.214 4.126 4.340 0.000 0.000 0.202 169 Q C 1.622 177.565 176.000 -0.096 0.000 0.980 169 Q CA 1.950 57.650 55.803 -0.173 0.000 0.840 169 Q CB -0.232 28.335 28.738 -0.284 0.000 0.898 169 Q HN 0.634 nan 8.270 nan 0.000 0.424 170 Y N 0.990 121.247 120.300 -0.073 0.000 2.242 170 Y HA -0.090 4.460 4.550 0.000 0.000 0.291 170 Y C 2.052 177.768 175.900 -0.306 0.000 1.137 170 Y CA 1.078 59.063 58.100 -0.191 0.000 1.181 170 Y CB -0.495 37.811 38.460 -0.257 0.000 0.989 170 Y HN 0.246 nan 8.280 nan 0.000 0.527 171 E N 0.376 120.543 120.200 -0.055 0.000 2.051 171 E HA -0.197 4.153 4.350 0.000 0.000 0.192 171 E C 2.029 178.680 176.600 0.086 0.000 0.991 171 E CA 1.266 57.680 56.400 0.023 0.000 0.799 171 E CB -0.141 29.691 29.700 0.221 0.000 0.748 171 E HN 0.425 nan 8.360 nan 0.000 0.449 172 K N 0.009 120.447 120.400 0.064 0.000 2.211 172 K HA -0.059 4.261 4.320 0.000 0.000 0.203 172 K C 1.805 178.441 176.600 0.060 0.000 1.050 172 K CA 0.973 57.299 56.287 0.065 0.000 0.945 172 K CB 0.078 32.605 32.500 0.044 0.000 0.732 172 K HN 0.034 nan 8.250 nan 0.000 0.451 173 A N 0.044 122.891 122.820 0.046 0.000 2.275 173 A HA 0.234 4.554 4.320 0.000 0.000 0.212 173 A C 1.402 179.006 177.584 0.034 0.000 1.201 173 A CA 0.732 52.797 52.037 0.046 0.000 0.843 173 A CB -0.054 18.985 19.000 0.066 0.000 0.873 173 A HN 0.376 nan 8.150 nan 0.000 0.492 174 G N -1.876 106.944 108.800 0.034 0.000 2.184 174 G HA2 -0.125 3.835 3.960 0.000 0.000 0.264 174 G HA3 -0.125 3.835 3.960 0.000 0.000 0.264 174 G C 0.199 175.119 174.900 0.033 0.000 0.975 174 G CA 0.556 45.731 45.100 0.126 0.000 0.642 174 G HN 1.557 nan 8.290 nan 0.000 0.536 175 V N -0.256 119.541 119.914 -0.196 0.000 2.924 175 V HA 0.570 4.690 4.120 0.000 0.000 0.300 175 V C -0.474 175.406 176.094 -0.357 0.000 1.227 175 V CA -0.529 61.638 62.300 -0.221 0.000 0.954 175 V CB 2.309 34.091 31.823 -0.068 0.000 1.055 175 V HN 0.581 nan 8.190 nan 0.000 0.429 176 V N 8.810 128.474 119.914 -0.416 0.000 2.385 176 V HA 0.407 4.527 4.120 0.000 0.000 0.269 176 V C -1.793 174.033 176.094 -0.447 0.000 1.043 176 V CA -1.250 60.699 62.300 -0.586 0.000 0.906 176 V CB 1.305 32.864 31.823 -0.440 0.000 0.995 176 V HN 0.842 nan 8.190 nan 0.000 0.467 177 P HA 0.195 nan 4.420 nan 0.000 0.269 177 P C -2.554 174.623 177.300 -0.206 0.000 1.217 177 P CA -1.048 61.890 63.100 -0.270 0.000 0.783 177 P CB -0.190 31.384 31.700 -0.209 0.000 0.898 178 P HA 0.164 nan 4.420 nan 0.000 0.272 178 P C -0.642 176.635 177.300 -0.038 0.000 1.230 178 P CA -0.166 62.889 63.100 -0.076 0.000 0.788 178 P CB 0.444 32.120 31.700 -0.040 0.000 0.949 179 A N 1.781 124.586 122.820 -0.026 0.000 2.304 179 A HA 0.343 4.663 4.320 0.000 0.000 0.301 179 A C 0.396 178.016 177.584 0.060 0.000 1.132 179 A CA -0.542 51.527 52.037 0.054 0.000 0.819 179 A CB 0.108 19.125 19.000 0.029 0.000 1.094 179 A HN 0.480 nan 8.150 nan 0.000 0.492 180 E N 0.907 121.162 120.200 0.092 0.000 2.373 180 E HA 0.063 4.413 4.350 0.000 0.000 0.263 180 E C 0.888 177.520 176.600 0.055 0.000 1.073 180 E CA 0.228 56.662 56.400 0.056 0.000 0.894 180 E CB 0.647 30.374 29.700 0.045 0.000 1.008 180 E HN 0.819 nan 8.360 nan 0.000 0.420 181 E N 0.980 121.201 120.200 0.035 0.000 2.204 181 E HA -0.211 4.139 4.350 0.000 0.000 0.195 181 E C 0.682 177.302 176.600 0.033 0.000 0.990 181 E CA 1.451 57.870 56.400 0.032 0.000 0.821 181 E CB -0.035 29.678 29.700 0.022 0.000 0.750 181 E HN 0.394 nan 8.360 nan 0.000 0.477 182 D N 0.515 120.931 120.400 0.027 0.000 2.340 182 D HA -0.030 4.611 4.640 0.000 0.000 0.220 182 D C -0.339 175.974 176.300 0.021 0.000 1.039 182 D CA -0.174 53.836 54.000 0.017 0.000 0.866 182 D CB -0.283 40.518 40.800 0.002 0.000 0.913 182 D HN -0.038 nan 8.370 nan 0.000 0.523 183 D N 1.896 122.328 120.400 0.052 0.000 2.399 183 D HA 0.160 4.800 4.640 0.000 0.000 0.241 183 D C -2.101 174.249 176.300 0.083 0.000 1.133 183 D CA -1.252 52.798 54.000 0.083 0.000 0.890 183 D CB 0.613 41.550 40.800 0.229 0.000 1.201 183 D HN 0.071 nan 8.370 nan 0.000 0.432 184 P HA 0.017 nan 4.420 nan 0.000 0.267 184 P C 0.145 177.514 177.300 0.115 0.000 1.200 184 P CA -0.090 63.045 63.100 0.059 0.000 0.772 184 P CB 0.618 32.328 31.700 0.016 0.000 0.855 185 A N 3.047 125.918 122.820 0.086 0.000 1.917 185 A HA -0.280 4.041 4.320 0.000 0.000 0.219 185 A C 2.155 179.814 177.584 0.125 0.000 1.182 185 A CA 2.235 54.329 52.037 0.095 0.000 0.633 185 A CB -1.301 17.747 19.000 0.079 0.000 0.819 185 A HN 0.671 nan 8.150 nan 0.000 0.448 186 E N -1.211 119.073 120.200 0.140 0.000 2.110 186 E HA -0.216 4.134 4.350 0.000 0.000 0.193 186 E C 1.882 178.602 176.600 0.199 0.000 0.988 186 E CA 1.200 57.723 56.400 0.205 0.000 0.804 186 E CB -0.330 29.485 29.700 0.192 0.000 0.745 186 E HN 0.783 nan 8.360 nan 0.000 0.458 187 W N 1.463 122.745 121.300 -0.029 0.000 2.358 187 W HA -0.224 4.436 4.660 0.000 0.000 0.303 187 W C 1.633 178.159 176.519 0.012 0.000 1.208 187 W CA 1.586 58.900 57.345 -0.051 0.000 1.274 187 W CB -0.021 29.392 29.460 -0.079 0.000 1.138 187 W HN 0.058 nan 8.180 nan 0.000 0.515 188 K N -0.030 120.386 120.400 0.026 0.000 2.026 188 K HA -0.194 4.126 4.320 0.000 0.000 0.208 188 K C 1.782 178.311 176.600 -0.118 0.000 1.048 188 K CA 1.931 58.175 56.287 -0.072 0.000 0.929 188 K CB -0.857 31.657 32.500 0.023 0.000 0.713 188 K HN -0.003 nan 8.250 nan 0.000 0.439 189 V N 1.367 121.263 119.914 -0.031 0.000 2.282 189 V HA -0.277 3.843 4.120 0.000 0.000 0.249 189 V C 2.031 178.010 176.094 -0.190 0.000 1.057 189 V CA 1.968 64.261 62.300 -0.011 0.000 1.032 189 V CB -0.545 31.378 31.823 0.168 0.000 0.645 189 V HN 0.249 nan 8.190 nan 0.000 0.447 190 F N 0.145 119.744 119.950 -0.586 0.000 2.095 190 F HA -0.189 4.338 4.527 0.000 0.000 0.298 190 F C 2.102 177.466 175.800 -0.727 0.000 1.104 190 F CA 1.781 59.194 58.000 -0.978 0.000 1.232 190 F CB -0.203 38.096 39.000 -1.168 0.000 0.987 190 F HN 0.011 nan 8.300 nan 0.000 0.475 191 L N 0.136 120.965 121.223 -0.657 0.000 2.093 191 L HA -0.223 4.117 4.340 0.000 0.000 0.208 191 L C 2.163 178.778 176.870 -0.425 0.000 1.085 191 L CA 0.996 55.454 54.840 -0.635 0.000 0.755 191 L CB -0.840 40.835 42.059 -0.640 0.000 0.904 191 L HN 0.183 nan 8.230 nan 0.000 0.435 192 N N 0.342 118.857 118.700 -0.309 0.000 2.149 192 N HA -0.212 4.528 4.740 0.000 0.000 0.188 192 N C 1.810 177.231 175.510 -0.147 0.000 1.019 192 N CA 1.200 54.145 53.050 -0.175 0.000 0.857 192 N CB -0.296 38.132 38.487 -0.098 0.000 0.997 192 N HN 0.238 nan 8.380 nan 0.000 0.426 193 L N 0.598 121.695 121.223 -0.210 0.000 2.027 193 L HA -0.034 4.306 4.340 0.000 0.000 0.206 193 L C 2.044 178.845 176.870 -0.115 0.000 1.074 193 L CA 0.998 55.760 54.840 -0.130 0.000 0.745 193 L CB -0.205 41.764 42.059 -0.150 0.000 0.898 193 L HN 0.109 nan 8.230 nan 0.000 0.433 194 L N -0.770 120.280 121.223 -0.288 0.000 2.017 194 L HA -0.226 4.114 4.340 0.000 0.000 0.208 194 L C 2.818 179.687 176.870 -0.001 0.000 1.073 194 L CA 1.418 56.166 54.840 -0.154 0.000 0.745 194 L CB -0.578 41.282 42.059 -0.331 0.000 0.894 194 L HN 0.288 nan 8.230 nan 0.000 0.432 195 R N -0.396 120.053 120.500 -0.086 0.000 2.073 195 R HA -0.149 4.191 4.340 0.000 0.000 0.234 195 R C 2.298 178.643 176.300 0.075 0.000 1.134 195 R CA 2.060 58.153 56.100 -0.011 0.000 0.952 195 R CB -0.232 30.015 30.300 -0.087 0.000 0.850 195 R HN 0.277 nan 8.270 nan 0.000 0.433 196 T N 0.360 114.935 114.554 0.035 0.000 2.708 196 T HA -0.173 4.177 4.350 0.000 0.000 0.266 196 T C 1.732 176.478 174.700 0.077 0.000 1.037 196 T CA 1.641 63.771 62.100 0.049 0.000 1.146 196 T CB -0.274 68.615 68.868 0.036 0.000 0.865 196 T HN 0.187 nan 8.240 nan 0.000 0.435 197 R N 0.629 121.195 120.500 0.109 0.000 2.105 197 R HA -0.014 4.326 4.340 0.000 0.000 0.239 197 R C 1.913 178.302 176.300 0.150 0.000 1.135 197 R CA 1.195 57.369 56.100 0.123 0.000 0.967 197 R CB -1.073 29.343 30.300 0.193 0.000 0.861 197 R HN 0.394 nan 8.270 nan 0.000 0.442 198 F N 1.485 121.462 119.950 0.046 0.000 2.216 198 F HA -0.082 4.445 4.527 0.000 0.000 0.300 198 F C 1.562 177.370 175.800 0.013 0.000 1.085 198 F CA 1.645 59.670 58.000 0.041 0.000 1.326 198 F CB -0.116 38.914 39.000 0.049 0.000 1.027 198 F HN 0.167 nan 8.300 nan 0.000 0.497 199 E N -0.946 119.246 120.200 -0.012 0.000 2.160 199 E HA -0.207 4.143 4.350 0.000 0.000 0.195 199 E C 1.958 178.479 176.600 -0.132 0.000 0.991 199 E CA 1.877 58.222 56.400 -0.090 0.000 0.810 199 E CB -0.228 29.463 29.700 -0.015 0.000 0.742 199 E HN 0.535 nan 8.360 nan 0.000 0.466 200 T N -2.930 111.564 114.554 -0.101 0.000 2.969 200 T HA 0.050 4.401 4.350 0.000 0.000 0.250 200 T C 0.262 174.892 174.700 -0.117 0.000 1.021 200 T CA -0.226 61.818 62.100 -0.094 0.000 1.003 200 T CB 0.611 69.447 68.868 -0.053 0.000 1.040 200 T HN -0.156 nan 8.240 nan 0.000 0.492 201 D N 0.308 120.630 120.400 -0.130 0.000 2.602 201 D HA 0.352 4.992 4.640 0.000 0.000 0.245 201 D C 0.277 176.503 176.300 -0.123 0.000 1.325 201 D CA -0.484 53.440 54.000 -0.126 0.000 0.952 201 D CB 1.907 42.634 40.800 -0.122 0.000 1.317 201 D HN -0.184 nan 8.370 nan 0.000 0.577 202 K N 1.424 121.729 120.400 -0.158 0.000 2.356 202 K HA 0.057 4.378 4.320 0.000 0.000 0.195 202 K C 0.519 177.211 176.600 0.154 0.000 1.037 202 K CA 0.477 56.676 56.287 -0.147 0.000 1.014 202 K CB 0.663 33.010 32.500 -0.256 0.000 0.815 202 K HN 0.480 nan 8.250 nan 0.000 0.507 203 D N -0.281 120.153 120.400 0.056 0.000 2.650 203 D HA 0.033 4.673 4.640 0.000 0.000 0.265 203 D C 1.081 177.373 176.300 -0.013 0.000 1.339 203 D CA -0.251 53.791 54.000 0.070 0.000 0.816 203 D CB 0.318 41.145 40.800 0.045 0.000 1.091 203 D HN -0.122 nan 8.370 nan 0.000 0.483 204 K N 0.172 120.501 120.400 -0.118 0.000 2.020 204 K HA -0.165 4.155 4.320 0.000 0.000 0.212 204 K C 1.019 177.401 176.600 -0.363 0.000 1.050 204 K CA 1.702 57.756 56.287 -0.389 0.000 0.929 204 K CB -0.082 31.954 32.500 -0.773 0.000 0.714 204 K HN 0.222 nan 8.250 nan 0.000 0.443 205 W N 0.385 121.711 121.300 0.044 0.000 2.476 205 W HA -0.027 4.633 4.660 0.000 0.000 0.281 205 W C 2.328 178.866 176.519 0.030 0.000 1.230 205 W CA 0.667 58.030 57.345 0.029 0.000 1.287 205 W CB -0.418 29.049 29.460 0.013 0.000 1.108 205 W HN 0.090 nan 8.180 nan 0.000 0.567 206 T N 0.865 115.550 114.554 0.219 0.000 2.635 206 T HA -0.226 4.124 4.350 0.000 0.000 0.267 206 T C 1.802 176.559 174.700 0.096 0.000 1.040 206 T CA 1.480 63.661 62.100 0.135 0.000 1.156 206 T CB -0.292 68.639 68.868 0.104 0.000 0.863 206 T HN -0.065 nan 8.240 nan 0.000 0.430 207 K N 0.897 121.328 120.400 0.052 0.000 2.057 207 K HA 0.082 4.402 4.320 0.000 0.000 0.207 207 K C 2.295 178.912 176.600 0.028 0.000 1.049 207 K CA 0.968 57.267 56.287 0.020 0.000 0.931 207 K CB -0.725 31.762 32.500 -0.022 0.000 0.714 207 K HN 0.410 nan 8.250 nan 0.000 0.440 208 I N 1.081 121.675 120.570 0.040 0.000 2.179 208 I HA -0.270 3.900 4.170 0.000 0.000 0.242 208 I C 2.427 178.611 176.117 0.112 0.000 1.088 208 I CA 1.225 62.566 61.300 0.067 0.000 1.357 208 I CB -0.460 37.612 38.000 0.120 0.000 1.051 208 I HN 0.052 nan 8.210 nan 0.000 0.409 209 A N 0.352 123.285 122.820 0.187 0.000 1.986 209 A HA -0.247 4.073 4.320 0.000 0.000 0.220 209 A C 2.143 179.854 177.584 0.212 0.000 1.171 209 A CA 1.857 54.045 52.037 0.253 0.000 0.640 209 A CB -0.597 18.534 19.000 0.218 0.000 0.811 209 A HN 0.512 nan 8.150 nan 0.000 0.451 210 E N -0.982 119.291 120.200 0.122 0.000 2.285 210 E HA -0.053 4.297 4.350 0.000 0.000 0.194 210 E C 2.018 178.655 176.600 0.062 0.000 0.997 210 E CA 0.782 57.236 56.400 0.090 0.000 0.845 210 E CB -0.012 29.722 29.700 0.057 0.000 0.782 210 E HN 0.593 nan 8.360 nan 0.000 0.491 211 S N 0.225 115.946 115.700 0.035 0.000 2.439 211 S HA -0.005 4.465 4.470 0.000 0.000 0.224 211 S C 0.902 175.480 174.600 -0.035 0.000 1.029 211 S CA -0.084 58.110 58.200 -0.011 0.000 0.946 211 S CB 0.270 63.442 63.200 -0.047 0.000 0.797 211 S HN -0.070 nan 8.310 nan 0.000 0.504 212 V N 4.005 123.880 119.914 -0.065 0.000 2.450 212 V HA 0.105 4.225 4.120 0.000 0.000 0.281 212 V C 1.155 177.159 176.094 -0.149 0.000 1.019 212 V CA 0.157 62.318 62.300 -0.232 0.000 1.062 212 V CB 0.865 32.327 31.823 -0.602 0.000 0.979 212 V HN 0.348 nan 8.190 nan 0.000 0.477 213 K N 3.363 123.712 120.400 -0.086 0.000 2.243 213 K HA 0.211 4.531 4.320 0.000 0.000 0.201 213 K C 0.797 177.381 176.600 -0.027 0.000 1.051 213 K CA 0.877 57.161 56.287 -0.005 0.000 0.970 213 K CB 0.485 33.022 32.500 0.062 0.000 0.755 213 K HN 0.872 nan 8.250 nan 0.000 0.465 214 G N -0.251 108.455 108.800 -0.157 0.000 2.466 214 G HA2 0.349 4.309 3.960 0.000 0.000 0.291 214 G HA3 0.349 4.309 3.960 0.000 0.000 0.291 214 G C -1.974 172.775 174.900 -0.252 0.000 1.460 214 G CA -0.533 44.488 45.100 -0.132 0.000 0.791 214 G HN -0.069 nan 8.290 nan 0.000 0.505 215 V N 0.184 120.034 119.914 -0.108 0.000 2.735 215 V HA 0.895 5.015 4.120 0.000 0.000 0.310 215 V C -0.181 175.895 176.094 -0.029 0.000 1.061 215 V CA 0.114 62.358 62.300 -0.093 0.000 0.913 215 V CB 2.242 34.056 31.823 -0.015 0.000 1.005 215 V HN 1.521 nan 8.190 nan 0.000 0.428 216 T N 2.295 116.823 114.554 -0.043 0.000 2.792 216 T HA 0.733 5.083 4.350 0.000 0.000 0.280 216 T C -0.766 173.928 174.700 -0.011 0.000 0.990 216 T CA -0.561 61.529 62.100 -0.017 0.000 0.960 216 T CB 1.560 70.419 68.868 -0.015 0.000 0.939 216 T HN 0.778 nan 8.240 nan 0.000 0.439 217 E N 1.473 121.673 120.200 -0.000 0.000 2.176 217 E HA 0.290 4.640 4.350 0.000 0.000 0.267 217 E C 0.517 177.118 176.600 0.002 0.000 0.893 217 E CA -0.659 55.734 56.400 -0.012 0.000 0.761 217 E CB 1.657 31.339 29.700 -0.030 0.000 1.133 217 E HN 0.707 nan 8.360 nan 0.000 0.409 218 E N 2.651 122.858 120.200 0.012 0.000 2.400 218 E HA 0.043 4.393 4.350 0.000 0.000 0.195 218 E C -0.334 176.280 176.600 0.023 0.000 1.012 218 E CA 0.457 56.891 56.400 0.056 0.000 0.875 218 E CB 0.624 30.401 29.700 0.129 0.000 0.859 218 E HN 0.494 nan 8.360 nan 0.000 0.498 219 T N -1.540 112.993 114.554 -0.035 0.000 2.896 219 T HA 0.224 4.574 4.350 0.000 0.000 0.297 219 T C 0.821 175.477 174.700 -0.074 0.000 1.108 219 T CA -0.328 61.736 62.100 -0.059 0.000 1.004 219 T CB 1.763 70.566 68.868 -0.108 0.000 1.159 219 T HN -0.123 nan 8.240 nan 0.000 0.499 220 T N 1.637 116.164 114.554 -0.044 0.000 2.684 220 T HA -0.119 4.231 4.350 0.000 0.000 0.267 220 T C 2.000 176.683 174.700 -0.027 0.000 1.036 220 T CA 2.149 64.240 62.100 -0.015 0.000 1.148 220 T CB -0.630 68.242 68.868 0.006 0.000 0.863 220 T HN 0.693 nan 8.240 nan 0.000 0.436 221 T N 1.171 115.683 114.554 -0.069 0.000 2.720 221 T HA -0.046 4.304 4.350 0.000 0.000 0.268 221 T C 2.264 176.933 174.700 -0.051 0.000 1.037 221 T CA 1.406 63.475 62.100 -0.052 0.000 1.144 221 T CB -0.806 67.999 68.868 -0.104 0.000 0.864 221 T HN 0.573 nan 8.240 nan 0.000 0.444 222 G N 0.385 109.103 108.800 -0.137 0.000 2.421 222 G HA2 -0.074 3.886 3.960 0.000 0.000 0.217 222 G HA3 -0.074 3.886 3.960 0.000 0.000 0.217 222 G C 1.666 176.533 174.900 -0.056 0.000 1.143 222 G CA 0.451 45.503 45.100 -0.081 0.000 0.784 222 G HN 0.429 nan 8.290 nan 0.000 0.541 223 V N 0.854 120.717 119.914 -0.085 0.000 2.358 223 V HA -0.104 4.016 4.120 0.000 0.000 0.246 223 V C 2.638 178.639 176.094 -0.154 0.000 1.047 223 V CA 1.473 63.671 62.300 -0.170 0.000 1.035 223 V CB -0.392 31.357 31.823 -0.123 0.000 0.658 223 V HN 0.366 nan 8.190 nan 0.000 0.452 224 L N 0.847 122.080 121.223 0.016 0.000 2.013 224 L HA -0.202 4.138 4.340 0.000 0.000 0.212 224 L C 2.554 179.459 176.870 0.059 0.000 1.073 224 L CA 2.006 56.909 54.840 0.104 0.000 0.753 224 L CB -0.802 41.306 42.059 0.082 0.000 0.890 224 L HN 0.237 nan 8.230 nan 0.000 0.432 225 R N -0.884 119.631 120.500 0.025 0.000 2.115 225 R HA -0.090 4.251 4.340 0.000 0.000 0.230 225 R C 2.306 178.648 176.300 0.070 0.000 1.111 225 R CA 1.444 57.547 56.100 0.006 0.000 0.976 225 R CB -0.504 29.827 30.300 0.053 0.000 0.870 225 R HN 0.401 nan 8.270 nan 0.000 0.445 226 L N -0.459 120.805 121.223 0.067 0.000 2.017 226 L HA -0.197 4.143 4.340 0.000 0.000 0.208 226 L C 2.201 179.107 176.870 0.059 0.000 1.073 226 L CA 1.301 56.185 54.840 0.075 0.000 0.745 226 L CB -0.554 41.438 42.059 -0.112 0.000 0.894 226 L HN 0.106 nan 8.230 nan 0.000 0.432 227 Y N 0.611 120.947 120.300 0.059 0.000 2.151 227 Y HA -0.321 4.229 4.550 0.000 0.000 0.284 227 Y C 2.789 178.688 175.900 -0.001 0.000 1.166 227 Y CA 1.253 59.365 58.100 0.020 0.000 1.163 227 Y CB -0.896 37.566 38.460 0.004 0.000 0.974 227 Y HN 0.272 nan 8.280 nan 0.000 0.511 228 Q N -1.468 118.394 119.800 0.103 0.000 2.084 228 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 228 Q C 2.094 178.046 176.000 -0.080 0.000 0.978 228 Q CA 1.614 57.392 55.803 -0.040 0.000 0.844 228 Q CB -0.449 28.201 28.738 -0.145 0.000 0.898 228 Q HN 0.380 nan 8.270 nan 0.000 0.426 229 F N 0.546 120.493 119.950 -0.004 0.000 2.102 229 F HA -0.165 4.362 4.527 0.000 0.000 0.298 229 F C 2.396 178.177 175.800 -0.033 0.000 1.105 229 F CA 1.181 59.160 58.000 -0.034 0.000 1.239 229 F CB -0.700 38.263 39.000 -0.062 0.000 0.991 229 F HN 0.055 nan 8.300 nan 0.000 0.474 230 A N -0.352 122.579 122.820 0.185 0.000 1.930 230 A HA 0.004 4.324 4.320 0.000 0.000 0.217 230 A C 2.311 179.940 177.584 0.076 0.000 1.175 230 A CA 1.559 53.660 52.037 0.107 0.000 0.627 230 A CB -1.198 17.874 19.000 0.120 0.000 0.815 230 A HN 0.284 nan 8.150 nan 0.000 0.443 231 A N -0.742 122.121 122.820 0.073 0.000 2.119 231 A HA 0.406 4.726 4.320 0.000 0.000 0.216 231 A C 2.088 179.683 177.584 0.020 0.000 1.152 231 A CA 1.303 53.360 52.037 0.035 0.000 0.708 231 A CB -0.492 18.521 19.000 0.022 0.000 0.805 231 A HN 0.950 nan 8.150 nan 0.000 0.460 232 A N -1.519 121.319 122.820 0.030 0.000 2.251 232 A HA 0.429 4.749 4.320 0.000 0.000 0.209 232 A C 1.693 179.298 177.584 0.034 0.000 1.187 232 A CA 1.003 53.055 52.037 0.024 0.000 0.823 232 A CB -0.837 18.176 19.000 0.020 0.000 0.846 232 A HN 1.736 nan 8.150 nan 0.000 0.486 233 G N -0.251 108.570 108.800 0.035 0.000 2.198 233 G HA2 -0.236 3.724 3.960 0.000 0.000 0.260 233 G HA3 -0.236 3.724 3.960 0.000 0.000 0.260 233 G C 0.076 174.985 174.900 0.015 0.000 1.025 233 G CA 0.545 45.658 45.100 0.021 0.000 0.769 233 G HN 0.441 nan 8.290 nan 0.000 0.507 234 D N -0.849 119.578 120.400 0.044 0.000 2.431 234 D HA 0.182 4.822 4.640 0.000 0.000 0.213 234 D C 0.842 177.070 176.300 -0.121 0.000 1.130 234 D CA -0.313 53.699 54.000 0.020 0.000 0.834 234 D CB 0.495 41.397 40.800 0.169 0.000 0.985 234 D HN 0.373 nan 8.370 nan 0.000 0.504 235 L N 1.336 122.484 121.223 -0.124 0.000 2.363 235 L HA 0.345 4.685 4.340 0.000 0.000 0.286 235 L C 1.115 177.748 176.870 -0.396 0.000 1.106 235 L CA -0.126 54.533 54.840 -0.301 0.000 0.859 235 L CB 0.722 42.695 42.059 -0.143 0.000 1.223 235 L HN -0.078 nan 8.230 nan 0.000 0.446 236 A N 5.361 127.745 122.820 -0.725 0.000 2.208 236 A HA 0.277 4.597 4.320 0.000 0.000 0.209 236 A C 0.045 177.430 177.584 -0.332 0.000 1.161 236 A CA 0.432 52.162 52.037 -0.511 0.000 0.782 236 A CB -0.602 18.150 19.000 -0.413 0.000 0.816 236 A HN 0.641 nan 8.150 nan 0.000 0.477 237 F N -4.632 115.314 119.950 -0.006 0.000 2.686 237 F HA 0.662 5.189 4.527 0.000 0.000 0.311 237 F C -3.430 172.394 175.800 0.041 0.000 1.128 237 F CA -3.910 54.098 58.000 0.013 0.000 0.946 237 F CB 0.157 39.152 39.000 -0.008 0.000 1.336 237 F HN -0.331 nan 8.300 nan 0.000 0.457 238 P HA 0.371 nan 4.420 nan 0.000 0.268 238 P C -1.034 176.424 177.300 0.263 0.000 1.205 238 P CA 0.133 63.408 63.100 0.292 0.000 0.771 238 P CB 0.747 32.556 31.700 0.182 0.000 0.858 239 A N 3.776 126.753 122.820 0.261 0.000 2.355 239 A HA 0.683 5.003 4.320 0.000 0.000 0.317 239 A C -0.641 177.055 177.584 0.185 0.000 1.094 239 A CA -0.760 51.381 52.037 0.173 0.000 0.764 239 A CB 0.740 19.812 19.000 0.121 0.000 1.230 239 A HN 0.450 nan 8.150 nan 0.000 0.448 240 I N 2.470 123.097 120.570 0.094 0.000 2.339 240 I HA 0.179 4.349 4.170 0.000 0.000 0.290 240 I C -0.073 176.081 176.117 0.062 0.000 0.994 240 I CA -0.751 60.615 61.300 0.111 0.000 1.191 240 I CB 1.598 39.636 38.000 0.064 0.000 1.343 240 I HN 0.696 nan 8.210 nan 0.000 0.458 241 N N 6.566 125.305 118.700 0.065 0.000 2.406 241 N HA 0.055 4.795 4.740 0.000 0.000 0.269 241 N C 0.428 175.970 175.510 0.054 0.000 1.210 241 N CA 0.179 53.242 53.050 0.023 0.000 0.966 241 N CB 1.104 39.604 38.487 0.022 0.000 1.293 241 N HN 0.414 nan 8.380 nan 0.000 0.491 242 V N 3.469 123.409 119.914 0.042 0.000 2.878 242 V HA -0.081 4.039 4.120 0.000 0.000 0.250 242 V C 2.304 178.428 176.094 0.050 0.000 1.075 242 V CA 0.617 62.950 62.300 0.054 0.000 1.096 242 V CB -0.764 31.096 31.823 0.061 0.000 0.724 242 V HN 0.738 nan 8.190 nan 0.000 0.467 243 N N 1.058 119.781 118.700 0.038 0.000 2.060 243 N HA -0.238 4.503 4.740 0.000 0.000 0.195 243 N C 0.986 176.523 175.510 0.046 0.000 1.028 243 N CA 1.931 55.002 53.050 0.036 0.000 0.861 243 N CB -0.013 38.486 38.487 0.021 0.000 1.029 243 N HN 0.422 nan 8.380 nan 0.000 0.428 244 D N 0.443 120.879 120.400 0.060 0.000 2.325 244 D HA 0.089 4.729 4.640 0.000 0.000 0.225 244 D C -0.086 176.260 176.300 0.076 0.000 1.096 244 D CA 0.073 54.117 54.000 0.074 0.000 0.844 244 D CB 0.134 40.995 40.800 0.102 0.000 0.925 244 D HN 0.049 nan 8.370 nan 0.000 0.513 245 S N 0.220 115.958 115.700 0.063 0.000 2.558 245 S HA -0.014 4.456 4.470 0.000 0.000 0.293 245 S C 1.955 176.581 174.600 0.043 0.000 1.292 245 S CA -0.458 57.772 58.200 0.050 0.000 1.063 245 S CB 1.594 64.815 63.200 0.034 0.000 0.831 245 S HN -0.032 nan 8.310 nan 0.000 0.499 246 V N 3.756 123.682 119.914 0.020 0.000 2.287 246 V HA -0.215 3.905 4.120 0.000 0.000 0.248 246 V C 2.624 178.777 176.094 0.098 0.000 1.053 246 V CA 2.285 64.574 62.300 -0.017 0.000 1.027 246 V CB -1.580 30.089 31.823 -0.257 0.000 0.646 246 V HN 1.078 nan 8.190 nan 0.000 0.447 247 T N -2.464 112.124 114.554 0.057 0.000 3.025 247 T HA -0.147 4.203 4.350 0.000 0.000 0.270 247 T C 1.681 176.430 174.700 0.082 0.000 1.126 247 T CA 1.183 63.298 62.100 0.025 0.000 1.105 247 T CB 0.021 68.775 68.868 -0.190 0.000 0.884 247 T HN 0.339 nan 8.240 nan 0.000 0.522 248 K N 1.676 122.125 120.400 0.082 0.000 2.167 248 K HA 0.078 4.398 4.320 0.000 0.000 0.214 248 K C 2.760 179.405 176.600 0.074 0.000 1.024 248 K CA 1.345 57.669 56.287 0.061 0.000 0.951 248 K CB -0.652 31.867 32.500 0.033 0.000 0.907 248 K HN 0.430 nan 8.250 nan 0.000 0.459 249 S N 1.729 117.456 115.700 0.045 0.000 2.381 249 S HA -0.147 4.324 4.470 0.000 0.000 0.230 249 S C 1.664 176.223 174.600 -0.068 0.000 1.052 249 S CA 1.260 59.460 58.200 -0.000 0.000 1.068 249 S CB -0.302 62.900 63.200 0.003 0.000 0.918 249 S HN 0.174 nan 8.310 nan 0.000 0.448 250 K N 0.072 120.427 120.400 -0.075 0.000 2.487 250 K HA 0.333 4.653 4.320 0.000 0.000 0.192 250 K C 0.781 177.012 176.600 -0.615 0.000 1.027 250 K CA 0.353 56.450 56.287 -0.316 0.000 1.054 250 K CB -0.289 32.020 32.500 -0.318 0.000 0.824 250 K HN 0.586 nan 8.250 nan 0.000 0.510 251 F N -0.418 119.453 119.950 -0.132 0.000 2.495 251 F HA 0.056 4.583 4.527 0.000 0.000 0.272 251 F C 2.054 177.809 175.800 -0.075 0.000 0.919 251 F CA -0.038 57.957 58.000 -0.008 0.000 1.178 251 F CB -0.132 38.904 39.000 0.060 0.000 1.030 251 F HN -0.078 nan 8.300 nan 0.000 0.777 252 D N 0.959 121.416 120.400 0.095 0.000 2.077 252 D HA -0.168 4.472 4.640 0.000 0.000 0.193 252 D C 1.442 177.706 176.300 -0.060 0.000 0.989 252 D CA 1.959 55.965 54.000 0.010 0.000 0.831 252 D CB -0.342 40.507 40.800 0.081 0.000 0.979 252 D HN 0.085 nan 8.370 nan 0.000 0.449 253 N N 0.508 119.202 118.700 -0.011 0.000 2.149 253 N HA -0.142 4.598 4.740 0.000 0.000 0.188 253 N C 1.639 177.064 175.510 -0.142 0.000 1.019 253 N CA 1.016 54.055 53.050 -0.019 0.000 0.857 253 N CB -0.178 38.288 38.487 -0.035 0.000 0.997 253 N HN 0.369 nan 8.380 nan 0.000 0.426 254 K N -0.370 119.863 120.400 -0.278 0.000 2.057 254 K HA 0.006 4.326 4.320 0.000 0.000 0.209 254 K C 1.438 177.811 176.600 -0.378 0.000 1.028 254 K CA 0.534 56.567 56.287 -0.423 0.000 0.950 254 K CB -0.231 31.860 32.500 -0.682 0.000 0.784 254 K HN 0.002 nan 8.250 nan 0.000 0.448 255 Y N 0.718 120.935 120.300 -0.139 0.000 2.352 255 Y HA 0.024 4.574 4.550 0.000 0.000 0.292 255 Y C 2.294 178.097 175.900 -0.162 0.000 1.136 255 Y CA 1.020 59.062 58.100 -0.096 0.000 1.227 255 Y CB -1.027 37.424 38.460 -0.014 0.000 0.991 255 Y HN 0.327 nan 8.280 nan 0.000 0.545 256 G N -0.537 108.103 108.800 -0.265 0.000 2.414 256 G HA2 -0.224 3.736 3.960 0.000 0.000 0.215 256 G HA3 -0.224 3.736 3.960 0.000 0.000 0.215 256 G C 1.754 176.290 174.900 -0.608 0.000 1.188 256 G CA 1.578 46.189 45.100 -0.816 0.000 0.783 256 G HN 0.338 nan 8.290 nan 0.000 0.537 257 T N 0.440 114.745 114.554 -0.415 0.000 2.720 257 T HA -0.133 4.217 4.350 0.000 0.000 0.268 257 T C 2.280 176.985 174.700 0.009 0.000 1.037 257 T CA 1.327 63.410 62.100 -0.028 0.000 1.144 257 T CB -0.184 68.688 68.868 0.008 0.000 0.864 257 T HN 0.348 nan 8.240 nan 0.000 0.444 258 R N 0.151 120.649 120.500 -0.003 0.000 2.117 258 R HA -0.219 4.121 4.340 0.000 0.000 0.243 258 R C 2.390 178.739 176.300 0.080 0.000 1.143 258 R CA 1.600 57.731 56.100 0.052 0.000 0.968 258 R CB -0.394 29.968 30.300 0.103 0.000 0.863 258 R HN 0.547 nan 8.270 nan 0.000 0.444 259 H N -0.185 118.891 119.070 0.010 0.000 2.307 259 H HA -0.041 4.515 4.556 0.000 0.000 0.303 259 H C 1.921 177.277 175.328 0.047 0.000 1.073 259 H CA 2.067 58.133 56.048 0.029 0.000 1.338 259 H CB 0.022 29.802 29.762 0.030 0.000 1.389 259 H HN 0.406 nan 8.280 nan 0.000 0.503 260 S N 0.343 116.184 115.700 0.235 0.000 2.524 260 S HA -0.035 4.435 4.470 0.000 0.000 0.216 260 S C 2.154 176.821 174.600 0.113 0.000 0.987 260 S CA 0.390 58.725 58.200 0.226 0.000 0.909 260 S CB -0.216 63.189 63.200 0.342 0.000 0.781 260 S HN 0.294 nan 8.310 nan 0.000 0.521 261 L N 2.474 123.745 121.223 0.080 0.000 2.017 261 L HA 0.076 4.416 4.340 0.000 0.000 0.208 261 L C 2.041 178.923 176.870 0.021 0.000 1.073 261 L CA 1.827 56.694 54.840 0.046 0.000 0.745 261 L CB -0.731 41.345 42.059 0.029 0.000 0.894 261 L HN 0.477 nan 8.230 nan 0.000 0.432 262 I N -2.862 117.707 120.570 -0.001 0.000 2.500 262 I HA -0.063 4.107 4.170 0.000 0.000 0.252 262 I C 2.102 178.206 176.117 -0.022 0.000 1.142 262 I CA 1.421 62.712 61.300 -0.016 0.000 1.451 262 I CB -1.263 36.719 38.000 -0.029 0.000 1.093 262 I HN 0.171 nan 8.210 nan 0.000 0.430 263 D N 1.690 122.069 120.400 -0.036 0.000 2.103 263 D HA -0.167 4.473 4.640 0.000 0.000 0.190 263 D C 2.371 178.681 176.300 0.017 0.000 0.997 263 D CA 2.154 56.144 54.000 -0.016 0.000 0.833 263 D CB -0.710 40.095 40.800 0.008 0.000 0.961 263 D HN 0.388 nan 8.370 nan 0.000 0.447 264 G N 0.672 109.491 108.800 0.033 0.000 2.476 264 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 264 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 264 G C 1.989 176.903 174.900 0.023 0.000 1.164 264 G CA 1.092 46.211 45.100 0.032 0.000 0.768 264 G HN 0.409 nan 8.290 nan 0.000 0.560 265 I N 0.832 121.413 120.570 0.019 0.000 2.226 265 I HA -0.175 3.995 4.170 0.000 0.000 0.245 265 I C 2.599 178.725 176.117 0.015 0.000 1.100 265 I CA 0.904 62.215 61.300 0.017 0.000 1.374 265 I CB -0.383 37.626 38.000 0.015 0.000 1.057 265 I HN 0.075 nan 8.210 nan 0.000 0.413 266 N N 1.362 120.067 118.700 0.009 0.000 2.018 266 N HA -0.196 4.544 4.740 0.000 0.000 0.196 266 N C 1.902 177.419 175.510 0.012 0.000 1.043 266 N CA 1.562 54.617 53.050 0.008 0.000 0.856 266 N CB -0.420 38.067 38.487 -0.001 0.000 1.042 266 N HN 0.355 nan 8.380 nan 0.000 0.423 267 R N -0.263 120.245 120.500 0.014 0.000 2.115 267 R HA 0.030 4.370 4.340 0.000 0.000 0.230 267 R C 2.248 178.555 176.300 0.011 0.000 1.111 267 R CA 1.136 57.245 56.100 0.015 0.000 0.976 267 R CB -0.492 29.820 30.300 0.020 0.000 0.870 267 R HN 0.271 nan 8.270 nan 0.000 0.445 268 G N 0.137 108.944 108.800 0.012 0.000 2.403 268 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 268 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 268 G C 1.428 176.337 174.900 0.014 0.000 1.154 268 G CA 1.417 46.523 45.100 0.010 0.000 0.784 268 G HN 0.470 nan 8.290 nan 0.000 0.538 269 T N -4.476 110.090 114.554 0.019 0.000 3.010 269 T HA 0.127 4.477 4.350 0.000 0.000 0.253 269 T C 0.806 175.522 174.700 0.026 0.000 0.939 269 T CA 0.894 63.010 62.100 0.027 0.000 0.910 269 T CB 0.304 69.192 68.868 0.033 0.000 1.226 269 T HN 0.128 nan 8.240 nan 0.000 0.508 270 D N 1.973 122.384 120.400 0.019 0.000 2.882 270 D HA -0.143 4.497 4.640 0.000 0.000 0.229 270 D C 0.349 176.661 176.300 0.020 0.000 1.167 270 D CA 0.938 54.948 54.000 0.017 0.000 0.759 270 D CB -1.433 39.376 40.800 0.015 0.000 1.088 270 D HN 0.874 nan 8.370 nan 0.000 0.425 271 A N 0.381 123.215 122.820 0.024 0.000 2.409 271 A HA 0.387 4.707 4.320 0.000 0.000 0.262 271 A C 0.486 178.082 177.584 0.020 0.000 1.113 271 A CA -0.467 51.586 52.037 0.027 0.000 0.790 271 A CB 0.663 19.684 19.000 0.035 0.000 1.046 271 A HN 0.265 nan 8.150 nan 0.000 0.496 272 L N 2.905 124.140 121.223 0.019 0.000 2.540 272 L HA 0.078 4.418 4.340 0.000 0.000 0.276 272 L C 0.757 177.638 176.870 0.018 0.000 1.212 272 L CA 0.734 55.583 54.840 0.016 0.000 0.893 272 L CB -0.020 42.048 42.059 0.015 0.000 1.138 272 L HN 0.728 nan 8.230 nan 0.000 0.491 273 I N 3.367 123.946 120.570 0.015 0.000 2.731 273 I HA 0.153 4.323 4.170 0.000 0.000 0.260 273 I C 1.448 177.577 176.117 0.019 0.000 1.138 273 I CA 0.554 61.864 61.300 0.017 0.000 1.461 273 I CB -0.405 37.603 38.000 0.013 0.000 1.128 273 I HN 0.850 nan 8.210 nan 0.000 0.438 274 G N 0.140 108.952 108.800 0.019 0.000 2.321 274 G HA2 0.278 4.238 3.960 0.000 0.000 0.237 274 G HA3 0.278 4.238 3.960 0.000 0.000 0.237 274 G C 1.148 176.060 174.900 0.020 0.000 1.282 274 G CA 0.349 45.461 45.100 0.021 0.000 0.886 274 G HN 0.642 nan 8.290 nan 0.000 0.528 275 G N 1.100 109.913 108.800 0.023 0.000 2.189 275 G HA2 -0.272 3.688 3.960 0.000 0.000 0.267 275 G HA3 -0.272 3.688 3.960 0.000 0.000 0.267 275 G C 0.630 175.543 174.900 0.022 0.000 0.975 275 G CA 0.883 45.996 45.100 0.022 0.000 0.644 275 G HN 0.757 nan 8.290 nan 0.000 0.537 276 K N 0.609 121.023 120.400 0.023 0.000 2.098 276 K HA 0.461 4.781 4.320 0.000 0.000 0.258 276 K C 0.424 177.037 176.600 0.022 0.000 0.973 276 K CA -0.576 55.724 56.287 0.022 0.000 0.898 276 K CB 1.095 33.608 32.500 0.022 0.000 1.057 276 K HN 0.263 nan 8.250 nan 0.000 0.447 277 K N 1.358 121.770 120.400 0.019 0.000 2.312 277 K HA 0.281 4.601 4.320 0.000 0.000 0.287 277 K C -0.513 176.091 176.600 0.007 0.000 1.062 277 K CA -0.429 55.868 56.287 0.015 0.000 0.934 277 K CB 0.894 33.403 32.500 0.014 0.000 1.027 277 K HN 0.161 nan 8.250 nan 0.000 0.478 278 V N 4.833 124.745 119.914 -0.002 0.000 2.531 278 V HA 0.254 4.374 4.120 0.000 0.000 0.301 278 V C -0.912 175.158 176.094 -0.039 0.000 1.034 278 V CA -0.996 61.293 62.300 -0.018 0.000 0.865 278 V CB 1.604 33.413 31.823 -0.024 0.000 0.995 278 V HN 0.545 nan 8.190 nan 0.000 0.424 279 L N 6.738 127.938 121.223 -0.039 0.000 2.280 279 L HA 0.612 4.952 4.340 0.000 0.000 0.287 279 L C -0.689 176.146 176.870 -0.058 0.000 1.023 279 L CA 0.091 54.899 54.840 -0.052 0.000 0.819 279 L CB 0.942 42.974 42.059 -0.045 0.000 1.212 279 L HN 0.412 nan 8.230 nan 0.000 0.420 280 I N 4.985 125.507 120.570 -0.079 0.000 2.339 280 I HA 0.244 4.414 4.170 0.000 0.000 0.290 280 I C -0.516 175.577 176.117 -0.040 0.000 0.994 280 I CA -0.356 60.907 61.300 -0.062 0.000 1.191 280 I CB 1.089 39.039 38.000 -0.084 0.000 1.343 280 I HN 0.583 nan 8.210 nan 0.000 0.458 281 C N 5.199 124.483 119.300 -0.025 0.000 2.246 281 C HA 0.790 5.250 4.460 0.000 0.000 0.329 281 C C 0.816 175.811 174.990 0.009 0.000 1.221 281 C CA -0.407 58.600 59.018 -0.019 0.000 1.697 281 C CB -0.308 27.412 27.740 -0.033 0.000 2.312 281 C HN 1.071 nan 8.230 nan 0.000 0.509 282 G N 2.246 111.065 108.800 0.032 0.000 2.784 282 G HA2 -0.021 3.939 3.960 0.000 0.000 0.686 282 G HA3 -0.021 3.939 3.960 0.000 0.000 0.686 282 G C -1.228 173.755 174.900 0.138 0.000 1.156 282 G CA -0.658 44.479 45.100 0.062 0.000 0.757 282 G HN 0.779 nan 8.290 nan 0.000 0.642 283 Y N 2.220 122.504 120.300 -0.028 0.000 2.614 283 Y HA 0.526 5.076 4.550 0.000 0.000 0.296 283 Y C 1.158 177.046 175.900 -0.020 0.000 0.942 283 Y CA 0.328 58.411 58.100 -0.027 0.000 1.111 283 Y CB 0.144 38.599 38.460 -0.008 0.000 1.182 283 Y HN 0.995 nan 8.280 nan 0.000 0.624 284 G N 0.039 108.798 108.800 -0.068 0.000 2.531 284 G HA2 0.023 3.983 3.960 0.000 0.000 0.253 284 G HA3 0.023 3.983 3.960 0.000 0.000 0.253 284 G C 0.596 175.366 174.900 -0.218 0.000 1.439 284 G CA 0.054 45.087 45.100 -0.112 0.000 1.056 284 G HN 0.234 nan 8.290 nan 0.000 0.555 285 D N -0.985 119.313 120.400 -0.169 0.000 2.117 285 D HA -0.129 4.511 4.640 0.000 0.000 0.197 285 D C 2.755 178.931 176.300 -0.207 0.000 0.987 285 D CA 0.929 54.802 54.000 -0.212 0.000 0.829 285 D CB -0.325 40.374 40.800 -0.169 0.000 0.961 285 D HN 0.054 nan 8.370 nan 0.000 0.460 286 V N 1.240 121.078 119.914 -0.127 0.000 2.237 286 V HA -0.189 3.931 4.120 0.000 0.000 0.245 286 V C 2.658 178.688 176.094 -0.106 0.000 1.046 286 V CA 2.182 64.432 62.300 -0.083 0.000 1.007 286 V CB -1.187 30.622 31.823 -0.023 0.000 0.638 286 V HN 0.239 nan 8.190 nan 0.000 0.445 287 G N -0.515 108.220 108.800 -0.108 0.000 2.469 287 G HA2 -0.286 3.674 3.960 0.000 0.000 0.220 287 G HA3 -0.286 3.674 3.960 0.000 0.000 0.220 287 G C 1.654 176.435 174.900 -0.198 0.000 1.136 287 G CA 1.078 46.125 45.100 -0.088 0.000 0.759 287 G HN 0.492 nan 8.290 nan 0.000 0.562 288 K N -0.017 120.098 120.400 -0.476 0.000 2.063 288 K HA -0.070 4.250 4.320 0.000 0.000 0.208 288 K C 2.752 179.219 176.600 -0.220 0.000 1.048 288 K CA 1.111 57.055 56.287 -0.572 0.000 0.928 288 K CB -0.388 31.729 32.500 -0.638 0.000 0.713 288 K HN 0.292 nan 8.250 nan 0.000 0.442 289 G N 0.696 109.383 108.800 -0.188 0.000 2.394 289 G HA2 -0.225 3.735 3.960 0.000 0.000 0.215 289 G HA3 -0.225 3.735 3.960 0.000 0.000 0.215 289 G C 1.627 176.499 174.900 -0.046 0.000 1.165 289 G CA 0.801 45.838 45.100 -0.105 0.000 0.784 289 G HN 0.305 nan 8.290 nan 0.000 0.535 290 C N 1.083 120.350 119.300 -0.055 0.000 2.388 290 C HA 0.019 4.479 4.460 0.000 0.000 0.277 290 C C 3.557 178.516 174.990 -0.051 0.000 1.210 290 C CA 1.200 60.195 59.018 -0.038 0.000 1.743 290 C CB -1.064 26.651 27.740 -0.040 0.000 2.047 290 C HN 0.566 nan 8.230 nan 0.000 0.458 291 A N -0.070 122.700 122.820 -0.083 0.000 1.908 291 A HA -0.267 4.053 4.320 0.000 0.000 0.218 291 A C 2.121 179.701 177.584 -0.008 0.000 1.181 291 A CA 2.129 54.049 52.037 -0.195 0.000 0.627 291 A CB -0.751 18.023 19.000 -0.376 0.000 0.818 291 A HN 0.757 nan 8.150 nan 0.000 0.445 292 E N -0.304 119.948 120.200 0.087 0.000 2.072 292 E HA -0.097 4.253 4.350 0.000 0.000 0.191 292 E C 2.158 178.817 176.600 0.099 0.000 0.985 292 E CA 0.955 57.444 56.400 0.149 0.000 0.801 292 E CB -0.248 29.528 29.700 0.127 0.000 0.750 292 E HN 0.543 nan 8.360 nan 0.000 0.452 293 A N 1.063 123.916 122.820 0.054 0.000 1.877 293 A HA -0.188 4.132 4.320 0.000 0.000 0.216 293 A C 2.184 179.788 177.584 0.033 0.000 1.186 293 A CA 1.605 53.664 52.037 0.038 0.000 0.620 293 A CB -0.406 18.605 19.000 0.019 0.000 0.822 293 A HN 0.265 nan 8.150 nan 0.000 0.443 294 M N -0.225 119.388 119.600 0.021 0.000 2.086 294 M HA -0.132 4.348 4.480 0.000 0.000 0.261 294 M C 2.149 178.482 176.300 0.055 0.000 1.067 294 M CA 1.973 57.284 55.300 0.019 0.000 1.116 294 M CB -1.191 31.399 32.600 -0.017 0.000 1.348 294 M HN 0.568 nan 8.290 nan 0.000 0.407 295 K N 0.133 120.595 120.400 0.104 0.000 2.074 295 K HA -0.158 4.162 4.320 0.000 0.000 0.209 295 K C 1.896 178.560 176.600 0.107 0.000 1.048 295 K CA 1.800 58.188 56.287 0.168 0.000 0.926 295 K CB -0.440 32.252 32.500 0.319 0.000 0.713 295 K HN 0.418 nan 8.250 nan 0.000 0.444 296 G N 0.187 109.040 108.800 0.087 0.000 2.471 296 G HA2 -0.187 3.773 3.960 0.000 0.000 0.219 296 G HA3 -0.187 3.773 3.960 0.000 0.000 0.219 296 G C 1.293 176.217 174.900 0.041 0.000 1.125 296 G CA 0.192 45.328 45.100 0.060 0.000 0.775 296 G HN 0.314 nan 8.290 nan 0.000 0.548 297 Q N -0.584 119.239 119.800 0.038 0.000 2.282 297 Q HA 0.197 4.537 4.340 0.000 0.000 0.206 297 Q C 1.503 177.520 176.000 0.029 0.000 0.878 297 Q CA 0.608 56.426 55.803 0.026 0.000 0.944 297 Q CB 0.923 29.672 28.738 0.018 0.000 1.100 297 Q HN 0.521 nan 8.270 nan 0.000 0.509 298 G N 0.623 109.447 108.800 0.040 0.000 2.134 298 G HA2 -0.202 3.758 3.960 0.000 0.000 0.209 298 G HA3 -0.202 3.758 3.960 0.000 0.000 0.209 298 G C 0.258 175.183 174.900 0.043 0.000 0.993 298 G CA 0.060 45.184 45.100 0.040 0.000 0.669 298 G HN 0.495 nan 8.290 nan 0.000 0.519 299 A N -0.109 122.740 122.820 0.049 0.000 2.332 299 A HA 0.759 5.080 4.320 0.000 0.000 0.258 299 A C 0.751 178.374 177.584 0.065 0.000 1.087 299 A CA -0.116 51.949 52.037 0.045 0.000 0.802 299 A CB 0.361 19.380 19.000 0.032 0.000 1.042 299 A HN 0.494 nan 8.150 nan 0.000 0.489 300 R N 0.929 121.462 120.500 0.055 0.000 2.230 300 R HA 0.408 4.748 4.340 0.000 0.000 0.337 300 R C -1.278 175.061 176.300 0.065 0.000 1.063 300 R CA -0.334 55.808 56.100 0.070 0.000 0.935 300 R CB 0.887 31.216 30.300 0.048 0.000 1.121 300 R HN 0.407 nan 8.270 nan 0.000 0.486 301 V N 2.476 122.454 119.914 0.107 0.000 2.439 301 V HA 0.286 4.406 4.120 0.000 0.000 0.282 301 V C 0.165 176.281 176.094 0.037 0.000 1.039 301 V CA -0.285 62.016 62.300 0.003 0.000 0.913 301 V CB 1.704 33.404 31.823 -0.205 0.000 0.983 301 V HN 0.718 nan 8.190 nan 0.000 0.460 302 S N 3.045 118.721 115.700 -0.039 0.000 2.600 302 S HA 0.820 5.290 4.470 0.000 0.000 0.300 302 S C -0.664 173.872 174.600 -0.105 0.000 1.087 302 S CA -0.657 57.526 58.200 -0.028 0.000 0.965 302 S CB 2.222 65.417 63.200 -0.008 0.000 1.089 302 S HN 0.430 nan 8.310 nan 0.000 0.496 303 V N 1.649 121.505 119.914 -0.097 0.000 2.823 303 V HA 0.727 4.847 4.120 0.000 0.000 0.312 303 V C 0.124 176.173 176.094 -0.075 0.000 1.072 303 V CA -0.730 61.496 62.300 -0.123 0.000 0.937 303 V CB 2.169 33.853 31.823 -0.231 0.000 1.013 303 V HN 1.055 nan 8.190 nan 0.000 0.430 304 T N 0.858 115.381 114.554 -0.052 0.000 2.918 304 T HA 0.840 5.190 4.350 0.000 0.000 0.286 304 T C -0.864 173.829 174.700 -0.011 0.000 1.026 304 T CA -0.492 61.586 62.100 -0.037 0.000 1.031 304 T CB 2.217 71.057 68.868 -0.046 0.000 1.046 304 T HN 0.637 nan 8.240 nan 0.000 0.479 305 E N 0.908 121.103 120.200 -0.008 0.000 2.388 305 E HA 0.266 4.616 4.350 0.000 0.000 0.280 305 E C 0.306 176.909 176.600 0.006 0.000 1.019 305 E CA -0.489 55.919 56.400 0.013 0.000 0.806 305 E CB 1.848 31.565 29.700 0.028 0.000 1.246 305 E HN 0.789 nan 8.360 nan 0.000 0.443 306 I N -2.080 118.497 120.570 0.012 0.000 3.462 306 I HA 0.298 4.468 4.170 0.000 0.000 0.290 306 I C 0.678 176.801 176.117 0.010 0.000 1.236 306 I CA 0.318 61.623 61.300 0.007 0.000 1.418 306 I CB 0.373 38.377 38.000 0.006 0.000 1.102 306 I HN 0.095 nan 8.210 nan 0.000 0.441 307 D N 2.911 123.322 120.400 0.019 0.000 2.317 307 D HA 0.230 4.870 4.640 0.000 0.000 0.234 307 D C -1.585 174.729 176.300 0.023 0.000 1.112 307 D CA -2.397 51.616 54.000 0.021 0.000 0.840 307 D CB 1.942 42.759 40.800 0.028 0.000 1.078 307 D HN -0.002 nan 8.370 nan 0.000 0.486 308 P HA -0.131 nan 4.420 nan 0.000 0.216 308 P C 1.852 179.163 177.300 0.018 0.000 1.150 308 P CA 0.796 63.902 63.100 0.011 0.000 0.837 308 P CB 0.617 32.320 31.700 0.005 0.000 0.786 309 I N 0.315 120.899 120.570 0.023 0.000 2.142 309 I HA -0.236 3.934 4.170 0.000 0.000 0.240 309 I C 2.485 178.638 176.117 0.060 0.000 1.078 309 I CA 1.508 62.827 61.300 0.031 0.000 1.343 309 I CB -0.916 37.099 38.000 0.025 0.000 1.046 309 I HN -0.026 nan 8.210 nan 0.000 0.405 310 N N 1.170 119.918 118.700 0.080 0.000 2.120 310 N HA -0.150 4.590 4.740 0.000 0.000 0.188 310 N C 2.011 177.613 175.510 0.153 0.000 1.024 310 N CA 1.464 54.611 53.050 0.161 0.000 0.852 310 N CB -0.188 38.400 38.487 0.168 0.000 1.003 310 N HN 0.346 nan 8.380 nan 0.000 0.424 311 A N 1.735 124.592 122.820 0.061 0.000 1.908 311 A HA -0.148 4.173 4.320 0.000 0.000 0.218 311 A C 2.238 179.807 177.584 -0.024 0.000 1.181 311 A CA 1.104 53.136 52.037 -0.008 0.000 0.627 311 A CB -0.722 18.273 19.000 -0.009 0.000 0.818 311 A HN 0.201 nan 8.150 nan 0.000 0.445 312 L N -0.117 121.110 121.223 0.007 0.000 2.083 312 L HA -0.196 4.144 4.340 0.000 0.000 0.209 312 L C 2.576 179.453 176.870 0.012 0.000 1.083 312 L CA 2.214 57.055 54.840 0.002 0.000 0.752 312 L CB -0.665 41.399 42.059 0.008 0.000 0.899 312 L HN 0.520 nan 8.230 nan 0.000 0.433 313 Q N -0.790 119.048 119.800 0.065 0.000 2.096 313 Q HA -0.228 4.113 4.340 0.000 0.000 0.204 313 Q C 2.275 178.330 176.000 0.091 0.000 0.982 313 Q CA 1.716 57.599 55.803 0.133 0.000 0.850 313 Q CB -0.484 28.413 28.738 0.265 0.000 0.901 313 Q HN 0.670 nan 8.270 nan 0.000 0.422 314 A N 1.069 123.806 122.820 -0.139 0.000 1.908 314 A HA -0.219 4.102 4.320 0.000 0.000 0.218 314 A C 2.103 179.595 177.584 -0.152 0.000 1.181 314 A CA 1.693 53.443 52.037 -0.479 0.000 0.627 314 A CB -0.554 17.980 19.000 -0.776 0.000 0.818 314 A HN 0.305 nan 8.150 nan 0.000 0.445 315 M N -1.296 118.237 119.600 -0.112 0.000 2.132 315 M HA -0.100 4.380 4.480 0.000 0.000 0.263 315 M C 1.956 178.189 176.300 -0.112 0.000 1.065 315 M CA 1.149 56.393 55.300 -0.093 0.000 1.122 315 M CB -0.426 32.138 32.600 -0.060 0.000 1.365 315 M HN 0.292 nan 8.290 nan 0.000 0.411 316 M N -0.008 119.545 119.600 -0.077 0.000 2.549 316 M HA -0.084 4.396 4.480 0.000 0.000 0.260 316 M C 1.025 177.260 176.300 -0.109 0.000 1.076 316 M CA 1.185 56.444 55.300 -0.069 0.000 1.090 316 M CB -0.944 31.642 32.600 -0.024 0.000 1.418 316 M HN 0.196 nan 8.290 nan 0.000 0.486 317 E N -0.321 119.774 120.200 -0.175 0.000 2.476 317 E HA 0.281 4.631 4.350 0.000 0.000 0.196 317 E C 1.127 177.287 176.600 -0.734 0.000 1.029 317 E CA 0.366 56.590 56.400 -0.294 0.000 0.896 317 E CB 0.297 29.955 29.700 -0.069 0.000 1.012 317 E HN 0.591 nan 8.360 nan 0.000 0.475 318 G N 1.444 109.903 108.800 -0.569 0.000 2.131 318 G HA2 -0.245 3.715 3.960 0.000 0.000 0.223 318 G HA3 -0.245 3.715 3.960 0.000 0.000 0.223 318 G C -0.218 174.343 174.900 -0.565 0.000 0.990 318 G CA -0.239 44.535 45.100 -0.542 0.000 0.671 318 G HN 0.133 nan 8.290 nan 0.000 0.521 319 F N 1.414 121.312 119.950 -0.086 0.000 2.458 319 F HA 0.518 5.045 4.527 0.000 0.000 0.336 319 F C 0.374 176.108 175.800 -0.111 0.000 1.114 319 F CA -2.013 55.924 58.000 -0.105 0.000 0.987 319 F CB 1.027 39.932 39.000 -0.160 0.000 1.130 319 F HN -0.136 nan 8.300 nan 0.000 0.458 320 D N 1.762 122.219 120.400 0.096 0.000 2.506 320 D HA 0.129 4.769 4.640 0.000 0.000 0.234 320 D C -0.357 175.949 176.300 0.010 0.000 1.143 320 D CA 0.470 54.488 54.000 0.030 0.000 0.871 320 D CB 1.275 42.089 40.800 0.023 0.000 1.190 320 D HN 0.156 nan 8.370 nan 0.000 0.459 321 V N 3.033 122.937 119.914 -0.018 0.000 2.378 321 V HA 0.382 4.503 4.120 0.000 0.000 0.288 321 V C 0.307 176.385 176.094 -0.028 0.000 1.016 321 V CA -0.558 61.720 62.300 -0.036 0.000 0.840 321 V CB 1.490 33.284 31.823 -0.049 0.000 0.994 321 V HN 0.420 nan 8.190 nan 0.000 0.431 322 V N 2.093 121.989 119.914 -0.031 0.000 3.160 322 V HA 0.875 4.995 4.120 0.000 0.000 0.310 322 V C -0.053 176.020 176.094 -0.035 0.000 1.181 322 V CA -0.606 61.677 62.300 -0.028 0.000 1.047 322 V CB 2.196 34.004 31.823 -0.025 0.000 1.068 322 V HN 0.794 nan 8.190 nan 0.000 0.441 323 T N -1.131 113.403 114.554 -0.033 0.000 2.922 323 T HA 0.515 4.865 4.350 0.000 0.000 0.285 323 T C 1.029 175.689 174.700 -0.067 0.000 1.005 323 T CA 0.075 62.148 62.100 -0.043 0.000 1.061 323 T CB 1.481 70.333 68.868 -0.027 0.000 1.007 323 T HN 0.788 nan 8.240 nan 0.000 0.502 324 V N 1.886 121.731 119.914 -0.114 0.000 2.282 324 V HA -0.177 3.943 4.120 0.000 0.000 0.249 324 V C 2.725 178.740 176.094 -0.131 0.000 1.057 324 V CA 2.222 64.406 62.300 -0.194 0.000 1.032 324 V CB -1.086 30.481 31.823 -0.427 0.000 0.645 324 V HN 0.923 nan 8.190 nan 0.000 0.447 325 E N 0.433 120.596 120.200 -0.061 0.000 2.097 325 E HA -0.266 4.085 4.350 0.000 0.000 0.196 325 E C 2.208 178.815 176.600 0.010 0.000 1.000 325 E CA 1.845 58.263 56.400 0.030 0.000 0.804 325 E CB -0.287 29.445 29.700 0.054 0.000 0.740 325 E HN 0.914 nan 8.360 nan 0.000 0.454 326 E N -0.404 119.790 120.200 -0.009 0.000 2.230 326 E HA 0.045 4.395 4.350 0.000 0.000 0.192 326 E C 1.778 178.371 176.600 -0.011 0.000 0.987 326 E CA 0.915 57.311 56.400 -0.007 0.000 0.841 326 E CB 0.045 29.740 29.700 -0.009 0.000 0.783 326 E HN 0.194 nan 8.360 nan 0.000 0.481 327 A N 0.859 123.666 122.820 -0.023 0.000 2.063 327 A HA 0.162 4.482 4.320 0.000 0.000 0.211 327 A C 2.034 179.606 177.584 -0.020 0.000 1.177 327 A CA 0.054 52.077 52.037 -0.022 0.000 0.759 327 A CB -0.217 18.765 19.000 -0.031 0.000 0.857 327 A HN 0.252 nan 8.150 nan 0.000 0.468 328 I N 0.757 121.311 120.570 -0.028 0.000 2.335 328 I HA -0.168 4.002 4.170 0.000 0.000 0.251 328 I C 2.144 178.260 176.117 -0.001 0.000 1.129 328 I CA 1.606 62.894 61.300 -0.021 0.000 1.402 328 I CB -0.287 37.699 38.000 -0.024 0.000 1.069 328 I HN 0.228 nan 8.210 nan 0.000 0.424 329 G N -0.801 108.000 108.800 0.002 0.000 2.484 329 G HA2 -0.164 3.796 3.960 0.000 0.000 0.218 329 G HA3 -0.164 3.796 3.960 0.000 0.000 0.218 329 G C 1.293 176.199 174.900 0.009 0.000 1.130 329 G CA 0.835 45.938 45.100 0.006 0.000 0.784 329 G HN 0.432 nan 8.290 nan 0.000 0.543 330 D N 0.288 120.692 120.400 0.007 0.000 2.389 330 D HA 0.199 4.839 4.640 0.000 0.000 0.206 330 D C 1.342 177.649 176.300 0.012 0.000 1.055 330 D CA 0.074 54.080 54.000 0.010 0.000 0.856 330 D CB 0.579 41.383 40.800 0.007 0.000 0.957 330 D HN 0.250 nan 8.370 nan 0.000 0.509 331 A N 1.505 124.330 122.820 0.008 0.000 2.451 331 A HA 0.059 4.379 4.320 0.000 0.000 0.266 331 A C 0.876 178.471 177.584 0.019 0.000 1.119 331 A CA -0.086 51.955 52.037 0.008 0.000 0.786 331 A CB 0.494 19.492 19.000 -0.004 0.000 1.061 331 A HN -0.094 nan 8.150 nan 0.000 0.503 332 D N 1.512 121.925 120.400 0.022 0.000 2.194 332 D HA 0.071 4.712 4.640 0.000 0.000 0.204 332 D C 0.347 176.665 176.300 0.031 0.000 0.964 332 D CA 1.462 55.481 54.000 0.032 0.000 0.846 332 D CB 0.199 41.018 40.800 0.031 0.000 0.962 332 D HN 0.585 nan 8.370 nan 0.000 0.490 333 I N 0.769 121.351 120.570 0.019 0.000 2.569 333 I HA 0.216 4.386 4.170 0.000 0.000 0.290 333 I C -1.027 175.092 176.117 0.004 0.000 1.088 333 I CA -0.809 60.501 61.300 0.016 0.000 1.047 333 I CB 3.178 41.186 38.000 0.013 0.000 1.237 333 I HN -0.405 nan 8.210 nan 0.000 0.421 334 V N 6.456 126.373 119.914 0.005 0.000 2.444 334 V HA 0.494 4.614 4.120 0.000 0.000 0.294 334 V C -0.356 175.736 176.094 -0.004 0.000 1.022 334 V CA -0.641 61.656 62.300 -0.007 0.000 0.850 334 V CB 2.181 33.999 31.823 -0.007 0.000 0.992 334 V HN 0.425 nan 8.190 nan 0.000 0.426 335 V N 3.594 123.501 119.914 -0.012 0.000 2.531 335 V HA 0.529 4.649 4.120 0.000 0.000 0.301 335 V C 0.205 176.293 176.094 -0.009 0.000 1.034 335 V CA -0.602 61.695 62.300 -0.006 0.000 0.865 335 V CB 2.313 34.133 31.823 -0.006 0.000 0.995 335 V HN 0.968 nan 8.190 nan 0.000 0.424 336 T N 1.236 115.791 114.554 0.000 0.000 2.767 336 T HA 0.711 5.061 4.350 0.000 0.000 0.288 336 T C 0.287 174.993 174.700 0.010 0.000 0.963 336 T CA 0.014 62.116 62.100 0.002 0.000 1.019 336 T CB 1.680 70.554 68.868 0.009 0.000 0.923 336 T HN 1.012 nan 8.240 nan 0.000 0.468 337 A N 2.409 125.234 122.820 0.010 0.000 2.585 337 A HA 0.423 4.743 4.320 0.000 0.000 0.281 337 A C 1.527 179.121 177.584 0.016 0.000 0.945 337 A CA 0.048 52.092 52.037 0.011 0.000 1.031 337 A CB -0.189 18.811 19.000 0.001 0.000 1.221 337 A HN 0.950 nan 8.150 nan 0.000 0.496 338 T N -4.680 109.888 114.554 0.023 0.000 3.037 338 T HA 0.357 4.707 4.350 0.000 0.000 0.252 338 T C 1.644 176.365 174.700 0.035 0.000 1.073 338 T CA 1.203 63.319 62.100 0.026 0.000 1.091 338 T CB -0.052 68.830 68.868 0.024 0.000 0.935 338 T HN 1.710 nan 8.240 nan 0.000 0.488 339 G N 1.625 110.454 108.800 0.049 0.000 2.166 339 G HA2 -0.286 3.674 3.960 0.000 0.000 0.260 339 G HA3 -0.286 3.674 3.960 0.000 0.000 0.260 339 G C 0.094 175.041 174.900 0.079 0.000 0.986 339 G CA 0.422 45.564 45.100 0.069 0.000 0.683 339 G HN 0.781 nan 8.290 nan 0.000 0.527 340 N N 0.310 119.046 118.700 0.061 0.000 2.671 340 N HA 0.668 5.408 4.740 0.000 0.000 0.303 340 N C 0.382 175.922 175.510 0.050 0.000 1.277 340 N CA -0.207 52.871 53.050 0.047 0.000 0.933 340 N CB 0.894 39.397 38.487 0.028 0.000 1.190 340 N HN 0.597 nan 8.380 nan 0.000 0.600 341 K N -0.789 119.628 120.400 0.027 0.000 2.258 341 K HA 0.487 4.807 4.320 0.000 0.000 0.236 341 K C -1.095 175.513 176.600 0.014 0.000 1.008 341 K CA -0.561 55.737 56.287 0.019 0.000 0.869 341 K CB 0.860 33.355 32.500 -0.008 0.000 1.171 341 K HN 0.338 nan 8.250 nan 0.000 0.447 342 D N 0.539 120.948 120.400 0.015 0.000 2.699 342 D HA -0.141 4.499 4.640 0.000 0.000 0.239 342 D C 0.515 176.844 176.300 0.047 0.000 1.136 342 D CA 0.544 54.559 54.000 0.025 0.000 0.668 342 D CB -0.853 39.954 40.800 0.011 0.000 1.060 342 D HN 0.523 nan 8.370 nan 0.000 0.429 343 I N -0.762 119.832 120.570 0.040 0.000 2.385 343 I HA -0.026 4.144 4.170 0.000 0.000 0.244 343 I C 1.331 177.464 176.117 0.027 0.000 1.089 343 I CA 0.733 62.044 61.300 0.019 0.000 1.410 343 I CB -0.085 37.914 38.000 -0.002 0.000 1.117 343 I HN 0.096 nan 8.210 nan 0.000 0.429 344 I N 3.147 123.756 120.570 0.066 0.000 2.371 344 I HA 0.285 4.455 4.170 0.000 0.000 0.282 344 I C 0.091 176.326 176.117 0.197 0.000 1.031 344 I CA -0.311 61.071 61.300 0.137 0.000 1.180 344 I CB 0.967 38.991 38.000 0.040 0.000 1.336 344 I HN 0.016 nan 8.210 nan 0.000 0.467 345 M N 4.382 124.197 119.600 0.357 0.000 2.369 345 M HA 0.247 4.727 4.480 0.000 0.000 0.291 345 M C 1.245 177.512 176.300 -0.056 0.000 1.178 345 M CA -0.734 54.582 55.300 0.027 0.000 0.996 345 M CB 0.917 33.438 32.600 -0.132 0.000 1.472 345 M HN 0.420 nan 8.290 nan 0.000 0.496 346 L N 1.226 122.394 121.223 -0.091 0.000 2.083 346 L HA -0.136 4.204 4.340 0.000 0.000 0.209 346 L C 2.105 178.891 176.870 -0.141 0.000 1.083 346 L CA 1.951 56.745 54.840 -0.076 0.000 0.752 346 L CB -0.660 41.370 42.059 -0.047 0.000 0.899 346 L HN 0.831 nan 8.230 nan 0.000 0.433 347 E N -1.319 118.752 120.200 -0.216 0.000 2.110 347 E HA -0.275 4.076 4.350 0.000 0.000 0.193 347 E C 1.996 178.473 176.600 -0.206 0.000 0.988 347 E CA 1.579 57.833 56.400 -0.243 0.000 0.804 347 E CB -0.167 29.369 29.700 -0.272 0.000 0.745 347 E HN 0.753 nan 8.360 nan 0.000 0.458 348 H N 0.064 119.089 119.070 -0.076 0.000 2.321 348 H HA -0.105 4.451 4.556 0.000 0.000 0.300 348 H C 2.252 177.532 175.328 -0.080 0.000 1.087 348 H CA 1.589 57.598 56.048 -0.066 0.000 1.319 348 H CB -0.042 29.694 29.762 -0.044 0.000 1.379 348 H HN 0.190 nan 8.280 nan 0.000 0.501 349 I N 0.972 121.562 120.570 0.034 0.000 2.286 349 I HA -0.245 3.925 4.170 0.000 0.000 0.248 349 I C 2.069 178.092 176.117 -0.157 0.000 1.115 349 I CA 1.294 62.597 61.300 0.005 0.000 1.392 349 I CB -0.231 37.811 38.000 0.070 0.000 1.065 349 I HN 0.213 nan 8.210 nan 0.000 0.418 350 K N 0.944 121.117 120.400 -0.379 0.000 2.209 350 K HA -0.090 4.230 4.320 0.000 0.000 0.204 350 K C 2.103 178.511 176.600 -0.321 0.000 1.048 350 K CA 1.310 57.202 56.287 -0.657 0.000 0.940 350 K CB -0.154 31.987 32.500 -0.599 0.000 0.729 350 K HN 0.330 nan 8.250 nan 0.000 0.451 351 A N 0.957 123.680 122.820 -0.161 0.000 2.119 351 A HA 0.029 4.349 4.320 0.000 0.000 0.216 351 A C 1.009 178.572 177.584 -0.034 0.000 1.152 351 A CA 0.303 52.296 52.037 -0.073 0.000 0.708 351 A CB -0.234 18.754 19.000 -0.021 0.000 0.805 351 A HN 0.152 nan 8.150 nan 0.000 0.460 352 M N 1.182 120.768 119.600 -0.024 0.000 2.243 352 M HA 0.157 4.637 4.480 0.000 0.000 0.341 352 M C 0.577 176.897 176.300 0.034 0.000 1.130 352 M CA -0.102 55.209 55.300 0.018 0.000 1.162 352 M CB 0.659 33.285 32.600 0.043 0.000 1.497 352 M HN 0.381 nan 8.290 nan 0.000 0.456 353 K N 0.895 121.322 120.400 0.044 0.000 2.187 353 K HA 0.121 4.441 4.320 0.000 0.000 0.247 353 K C -0.532 176.125 176.600 0.095 0.000 1.019 353 K CA -0.685 55.638 56.287 0.060 0.000 0.893 353 K CB 0.375 32.907 32.500 0.053 0.000 1.025 353 K HN 0.468 nan 8.250 nan 0.000 0.500 354 D N 0.382 120.852 120.400 0.117 0.000 2.417 354 D HA -0.024 4.616 4.640 0.000 0.000 0.250 354 D C -0.270 176.177 176.300 0.245 0.000 1.166 354 D CA 0.652 54.760 54.000 0.180 0.000 0.881 354 D CB 0.031 40.944 40.800 0.188 0.000 1.164 354 D HN 0.774 nan 8.370 nan 0.000 0.467 355 H N 0.348 119.463 119.070 0.076 0.000 3.022 355 H HA -0.182 4.374 4.556 0.000 0.000 0.258 355 H C -0.131 175.232 175.328 0.059 0.000 1.212 355 H CA 0.551 56.637 56.048 0.065 0.000 1.126 355 H CB -1.505 28.286 29.762 0.048 0.000 1.267 355 H HN 0.504 nan 8.280 nan 0.000 0.345 356 A N 0.881 123.765 122.820 0.107 0.000 2.366 356 A HA 0.527 4.848 4.320 0.000 0.000 0.249 356 A C 0.723 178.342 177.584 0.058 0.000 1.084 356 A CA -0.047 52.035 52.037 0.076 0.000 0.794 356 A CB 0.534 19.572 19.000 0.064 0.000 1.034 356 A HN 0.300 nan 8.150 nan 0.000 0.491 357 I N 0.903 121.503 120.570 0.051 0.000 2.377 357 I HA 0.391 4.561 4.170 0.000 0.000 0.293 357 I C -0.667 175.473 176.117 0.039 0.000 0.987 357 I CA -0.487 60.840 61.300 0.045 0.000 1.185 357 I CB 1.642 39.667 38.000 0.042 0.000 1.341 357 I HN 0.541 nan 8.210 nan 0.000 0.455 358 L N 6.254 127.503 121.223 0.044 0.000 2.356 358 L HA 0.932 5.272 4.340 0.000 0.000 0.277 358 L C -0.335 176.557 176.870 0.037 0.000 0.996 358 L CA 0.231 55.092 54.840 0.035 0.000 0.822 358 L CB 1.542 43.622 42.059 0.034 0.000 1.256 358 L HN 0.655 nan 8.230 nan 0.000 0.413 359 G N 2.739 111.557 108.800 0.030 0.000 2.708 359 G HA2 0.429 4.389 3.960 0.000 0.000 0.289 359 G HA3 0.429 4.389 3.960 0.000 0.000 0.289 359 G C -1.972 172.945 174.900 0.028 0.000 1.416 359 G CA -0.806 44.315 45.100 0.035 0.000 0.829 359 G HN 0.724 nan 8.290 nan 0.000 0.480 360 N N -1.009 117.712 118.700 0.034 0.000 2.284 360 N HA 0.512 5.252 4.740 0.000 0.000 0.300 360 N C -0.260 175.266 175.510 0.027 0.000 1.047 360 N CA -0.760 52.308 53.050 0.030 0.000 0.821 360 N CB 2.026 40.535 38.487 0.036 0.000 1.337 360 N HN 0.350 nan 8.380 nan 0.000 0.482 361 I N 1.420 122.003 120.570 0.021 0.000 4.147 361 I HA 0.477 4.647 4.170 0.000 0.000 0.329 361 I C 0.683 176.810 176.117 0.016 0.000 1.424 361 I CA -0.369 60.942 61.300 0.018 0.000 1.127 361 I CB -0.083 37.932 38.000 0.025 0.000 1.128 361 I HN 0.640 nan 8.210 nan 0.000 0.417 362 G N -0.824 107.989 108.800 0.022 0.000 2.599 362 G HA2 -0.017 3.943 3.960 0.000 0.000 0.264 362 G HA3 -0.017 3.943 3.960 0.000 0.000 0.264 362 G C 0.433 175.343 174.900 0.015 0.000 1.200 362 G CA -0.011 45.109 45.100 0.033 0.000 0.896 362 G HN 0.394 nan 8.290 nan 0.000 0.536 363 H N -0.314 118.698 119.070 -0.097 0.000 2.319 363 H HA 0.004 4.560 4.556 0.000 0.000 0.299 363 H C 0.146 175.294 175.328 -0.301 0.000 1.092 363 H CA 1.301 57.201 56.048 -0.247 0.000 1.302 363 H CB -0.084 29.418 29.762 -0.435 0.000 1.373 363 H HN 0.226 nan 8.280 nan 0.000 0.497 364 F N 0.118 120.059 119.950 -0.015 0.000 2.470 364 F HA 0.173 4.700 4.527 0.000 0.000 0.329 364 F C 1.176 176.946 175.800 -0.050 0.000 1.072 364 F CA -0.827 57.130 58.000 -0.072 0.000 0.989 364 F CB 1.397 40.404 39.000 0.012 0.000 1.193 364 F HN 0.257 nan 8.300 nan 0.000 0.481 365 D N -1.081 119.423 120.400 0.173 0.000 2.350 365 D HA -0.174 4.466 4.640 0.000 0.000 0.216 365 D C 1.084 177.423 176.300 0.066 0.000 0.968 365 D CA 0.926 54.975 54.000 0.082 0.000 0.894 365 D CB -0.487 40.340 40.800 0.045 0.000 0.909 365 D HN 0.423 nan 8.370 nan 0.000 0.520 366 N N 1.179 119.924 118.700 0.075 0.000 2.609 366 N HA -0.167 4.573 4.740 0.000 0.000 0.190 366 N C 0.915 176.447 175.510 0.035 0.000 1.157 366 N CA 0.532 53.600 53.050 0.029 0.000 0.918 366 N CB -0.373 38.106 38.487 -0.013 0.000 0.978 366 N HN 0.415 nan 8.380 nan 0.000 0.448 367 E N 0.069 120.302 120.200 0.055 0.000 2.150 367 E HA 0.003 4.353 4.350 0.000 0.000 0.193 367 E C 0.235 176.853 176.600 0.030 0.000 0.985 367 E CA 0.625 57.050 56.400 0.043 0.000 0.814 367 E CB 0.157 29.885 29.700 0.046 0.000 0.752 367 E HN 0.473 nan 8.360 nan 0.000 0.466 368 I N 1.753 122.339 120.570 0.026 0.000 2.392 368 I HA 0.045 4.215 4.170 0.000 0.000 0.295 368 I C 0.050 176.167 176.117 -0.000 0.000 0.985 368 I CA -0.646 60.663 61.300 0.015 0.000 1.221 368 I CB 1.344 39.348 38.000 0.007 0.000 1.366 368 I HN -0.207 nan 8.210 nan 0.000 0.467 369 D N 6.475 126.871 120.400 -0.006 0.000 2.671 369 D HA 0.052 4.692 4.640 0.000 0.000 0.228 369 D C 1.095 177.358 176.300 -0.063 0.000 1.102 369 D CA 0.101 54.085 54.000 -0.026 0.000 1.044 369 D CB 0.485 41.272 40.800 -0.023 0.000 1.113 369 D HN 0.322 nan 8.370 nan 0.000 0.480 370 M N 1.075 120.639 119.600 -0.059 0.000 2.175 370 M HA -0.055 4.425 4.480 0.000 0.000 0.264 370 M C 2.051 178.301 176.300 -0.083 0.000 1.063 370 M CA 0.790 56.036 55.300 -0.091 0.000 1.119 370 M CB -1.158 31.424 32.600 -0.031 0.000 1.377 370 M HN 0.422 nan 8.290 nan 0.000 0.415 371 A N 0.221 123.018 122.820 -0.039 0.000 1.902 371 A HA -0.027 4.293 4.320 0.000 0.000 0.217 371 A C 2.432 179.998 177.584 -0.031 0.000 1.181 371 A CA 2.002 54.027 52.037 -0.019 0.000 0.623 371 A CB -1.403 17.594 19.000 -0.005 0.000 0.818 371 A HN 0.506 nan 8.150 nan 0.000 0.443 372 G N -0.252 108.521 108.800 -0.045 0.000 2.402 372 G HA2 -0.110 3.850 3.960 0.000 0.000 0.216 372 G HA3 -0.110 3.850 3.960 0.000 0.000 0.216 372 G C 1.508 176.370 174.900 -0.063 0.000 1.162 372 G CA 1.150 46.225 45.100 -0.041 0.000 0.777 372 G HN 0.534 nan 8.290 nan 0.000 0.539 373 L N 0.581 121.715 121.223 -0.148 0.000 2.046 373 L HA 0.045 4.385 4.340 0.000 0.000 0.208 373 L C 2.611 179.269 176.870 -0.353 0.000 1.077 373 L CA 2.184 56.843 54.840 -0.303 0.000 0.747 373 L CB -0.572 41.141 42.059 -0.577 0.000 0.896 373 L HN 0.344 nan 8.230 nan 0.000 0.432 374 E N -0.515 119.538 120.200 -0.245 0.000 2.110 374 E HA -0.208 4.142 4.350 0.000 0.000 0.193 374 E C 2.017 178.675 176.600 0.097 0.000 0.988 374 E CA 1.278 57.694 56.400 0.027 0.000 0.804 374 E CB -0.090 29.673 29.700 0.104 0.000 0.745 374 E HN 0.467 nan 8.360 nan 0.000 0.458 375 R N 0.290 120.815 120.500 0.042 0.000 2.317 375 R HA 0.051 4.391 4.340 0.000 0.000 0.208 375 R C 2.156 178.492 176.300 0.059 0.000 0.914 375 R CA 0.536 56.669 56.100 0.055 0.000 1.060 375 R CB 0.261 30.582 30.300 0.036 0.000 1.015 375 R HN 0.106 nan 8.270 nan 0.000 0.498 376 S N -0.811 114.926 115.700 0.063 0.000 2.428 376 S HA 0.005 4.475 4.470 0.000 0.000 0.230 376 S C 1.651 176.321 174.600 0.116 0.000 1.014 376 S CA 0.879 59.136 58.200 0.095 0.000 0.957 376 S CB 0.198 63.483 63.200 0.141 0.000 0.784 376 S HN 0.443 nan 8.310 nan 0.000 0.499 377 G N 0.844 109.711 108.800 0.112 0.000 2.194 377 G HA2 -0.089 3.872 3.960 0.000 0.000 0.236 377 G HA3 -0.089 3.872 3.960 0.000 0.000 0.236 377 G C 0.306 175.264 174.900 0.096 0.000 0.987 377 G CA 0.006 45.167 45.100 0.102 0.000 0.635 377 G HN 1.367 nan 8.290 nan 0.000 0.520 378 A N 0.859 123.730 122.820 0.084 0.000 2.531 378 A HA 0.564 4.884 4.320 0.000 0.000 0.236 378 A C 1.006 178.653 177.584 0.105 0.000 1.062 378 A CA 1.500 53.520 52.037 -0.029 0.000 0.760 378 A CB 0.047 18.841 19.000 -0.343 0.000 0.995 378 A HN 1.783 nan 8.150 nan 0.000 0.501 379 T N 0.577 115.116 114.554 -0.025 0.000 2.875 379 T HA 0.577 4.927 4.350 0.000 0.000 0.284 379 T C -0.095 174.390 174.700 -0.359 0.000 0.995 379 T CA -0.747 61.277 62.100 -0.127 0.000 1.060 379 T CB 1.071 69.880 68.868 -0.098 0.000 0.967 379 T HN 0.740 nan 8.240 nan 0.000 0.476 380 R N 2.018 122.150 120.500 -0.613 0.000 2.338 380 R HA 0.603 4.943 4.340 0.000 0.000 0.317 380 R C -1.602 174.374 176.300 -0.540 0.000 0.968 380 R CA -0.684 54.809 56.100 -1.012 0.000 0.849 380 R CB 1.066 30.533 30.300 -1.389 0.000 1.128 380 R HN 0.599 nan 8.270 nan 0.000 0.448 381 V N 5.293 124.931 119.914 -0.460 0.000 2.409 381 V HA 0.216 4.336 4.120 0.000 0.000 0.291 381 V C -0.087 175.860 176.094 -0.245 0.000 1.020 381 V CA -0.959 61.180 62.300 -0.269 0.000 0.848 381 V CB 1.479 33.196 31.823 -0.177 0.000 0.990 381 V HN 0.783 nan 8.190 nan 0.000 0.430 382 N N 3.621 122.211 118.700 -0.184 0.000 2.458 382 N HA 0.194 4.934 4.740 0.000 0.000 0.270 382 N C 0.604 176.060 175.510 -0.090 0.000 1.102 382 N CA -0.247 52.723 53.050 -0.133 0.000 0.967 382 N CB 2.079 40.504 38.487 -0.103 0.000 1.078 382 N HN 0.387 nan 8.380 nan 0.000 0.471 383 V N 4.016 123.887 119.914 -0.071 0.000 2.379 383 V HA -0.013 4.107 4.120 0.000 0.000 0.243 383 V C 0.673 176.745 176.094 -0.037 0.000 1.035 383 V CA 1.279 63.552 62.300 -0.044 0.000 1.035 383 V CB -0.504 31.302 31.823 -0.028 0.000 0.673 383 V HN 0.836 nan 8.190 nan 0.000 0.457 384 K N -1.381 118.994 120.400 -0.042 0.000 2.735 384 K HA 0.343 4.663 4.320 0.000 0.000 0.295 384 K C -3.379 173.188 176.600 -0.056 0.000 1.052 384 K CA -1.760 54.505 56.287 -0.038 0.000 0.853 384 K CB 0.783 33.267 32.500 -0.026 0.000 1.535 384 K HN -0.210 nan 8.250 nan 0.000 0.383 385 P HA -0.025 nan 4.420 nan 0.000 0.260 385 P C -0.911 176.303 177.300 -0.144 0.000 1.172 385 P CA 0.883 63.921 63.100 -0.103 0.000 0.760 385 P CB 0.279 31.933 31.700 -0.076 0.000 0.773 386 Q N -0.560 119.103 119.800 -0.228 0.000 2.460 386 Q HA -0.142 4.199 4.340 0.000 0.000 0.248 386 Q C -0.719 175.226 176.000 -0.093 0.000 0.847 386 Q CA 0.967 56.623 55.803 -0.245 0.000 1.214 386 Q CB -2.104 26.461 28.738 -0.288 0.000 1.523 386 Q HN 0.267 nan 8.270 nan 0.000 0.602 387 V N 0.767 120.645 119.914 -0.061 0.000 2.488 387 V HA 0.482 4.602 4.120 0.000 0.000 0.293 387 V C -0.462 175.618 176.094 -0.022 0.000 1.027 387 V CA -0.799 61.491 62.300 -0.018 0.000 0.862 387 V CB 2.060 33.873 31.823 -0.016 0.000 1.008 387 V HN 0.069 nan 8.190 nan 0.000 0.428 388 D N 3.776 124.185 120.400 0.014 0.000 2.505 388 D HA 0.463 5.103 4.640 0.000 0.000 0.249 388 D C -0.871 175.411 176.300 -0.031 0.000 1.082 388 D CA -0.484 53.484 54.000 -0.053 0.000 0.839 388 D CB 3.243 44.017 40.800 -0.044 0.000 1.317 388 D HN 0.340 nan 8.370 nan 0.000 0.497 389 L N 2.756 123.892 121.223 -0.144 0.000 2.260 389 L HA 0.357 4.697 4.340 0.000 0.000 0.289 389 L C -1.325 175.414 176.870 -0.218 0.000 1.057 389 L CA -0.350 54.419 54.840 -0.118 0.000 0.811 389 L CB 0.439 42.426 42.059 -0.121 0.000 1.184 389 L HN 0.294 nan 8.230 nan 0.000 0.429 390 W N 4.242 125.454 121.300 -0.146 0.000 2.376 390 W HA 0.549 5.209 4.660 -0.000 0.000 0.312 390 W C -0.088 176.261 176.519 -0.284 0.000 1.060 390 W CA -0.418 56.793 57.345 -0.224 0.000 1.221 390 W CB 1.859 31.166 29.460 -0.255 0.000 1.281 390 W HN 0.389 nan 8.180 nan 0.000 0.456 391 T N 4.232 118.730 114.554 -0.092 0.000 2.797 391 T HA 0.419 4.769 4.350 0.000 0.000 0.279 391 T C -0.904 173.679 174.700 -0.195 0.000 0.991 391 T CA -0.562 61.487 62.100 -0.086 0.000 0.979 391 T CB 0.480 69.337 68.868 -0.018 0.000 0.943 391 T HN -0.045 nan 8.240 nan 0.000 0.444 392 F N 2.008 122.021 119.950 0.104 0.000 2.390 392 F HA 0.403 4.930 4.527 0.000 0.000 0.361 392 F C 1.613 177.449 175.800 0.061 0.000 1.124 392 F CA -0.797 57.252 58.000 0.082 0.000 1.149 392 F CB 0.790 39.827 39.000 0.062 0.000 1.160 392 F HN 0.790 nan 8.300 nan 0.000 0.501 393 G N 2.009 110.918 108.800 0.181 0.000 2.450 393 G HA2 -0.315 3.645 3.960 0.000 0.000 0.220 393 G HA3 -0.315 3.645 3.960 0.000 0.000 0.220 393 G C 1.399 176.369 174.900 0.116 0.000 1.130 393 G CA 1.165 46.337 45.100 0.120 0.000 0.760 393 G HN 0.679 nan 8.290 nan 0.000 0.557 394 D N 0.548 121.030 120.400 0.137 0.000 2.149 394 D HA -0.108 4.532 4.640 0.000 0.000 0.201 394 D C 2.287 178.633 176.300 0.077 0.000 0.972 394 D CA 1.874 55.929 54.000 0.092 0.000 0.835 394 D CB -1.071 39.774 40.800 0.075 0.000 0.966 394 D HN 0.410 nan 8.370 nan 0.000 0.476 395 T N -4.708 109.907 114.554 0.102 0.000 3.014 395 T HA 0.384 4.734 4.350 0.000 0.000 0.250 395 T C 1.820 176.579 174.700 0.098 0.000 1.060 395 T CA 0.528 62.674 62.100 0.077 0.000 1.040 395 T CB 0.022 68.920 68.868 0.049 0.000 0.971 395 T HN 0.405 nan 8.240 nan 0.000 0.497 396 G N 1.860 110.738 108.800 0.131 0.000 2.155 396 G HA2 -0.269 3.691 3.960 0.000 0.000 0.257 396 G HA3 -0.269 3.691 3.960 0.000 0.000 0.257 396 G C 0.080 175.067 174.900 0.145 0.000 0.983 396 G CA 0.002 45.174 45.100 0.121 0.000 0.676 396 G HN 0.678 nan 8.290 nan 0.000 0.528 397 R N 0.316 120.932 120.500 0.194 0.000 2.368 397 R HA 0.580 4.920 4.340 0.000 0.000 0.302 397 R C -0.269 176.175 176.300 0.239 0.000 1.002 397 R CA -0.185 56.039 56.100 0.207 0.000 0.929 397 R CB 1.222 31.637 30.300 0.190 0.000 1.073 397 R HN 0.185 nan 8.270 nan 0.000 0.464 398 S N 3.205 118.996 115.700 0.152 0.000 2.475 398 S HA 0.476 4.946 4.470 0.000 0.000 0.298 398 S C -0.388 174.200 174.600 -0.022 0.000 1.119 398 S CA -0.726 57.492 58.200 0.031 0.000 1.085 398 S CB 1.143 64.274 63.200 -0.115 0.000 1.028 398 S HN 0.312 nan 8.310 nan 0.000 0.489 399 I N 3.008 123.619 120.570 0.068 0.000 2.404 399 I HA 0.412 4.582 4.170 0.000 0.000 0.293 399 I C -0.218 175.940 176.117 0.067 0.000 0.992 399 I CA -1.024 60.326 61.300 0.083 0.000 1.149 399 I CB 1.335 39.447 38.000 0.188 0.000 1.315 399 I HN 0.586 nan 8.210 nan 0.000 0.446 400 I N 6.387 126.969 120.570 0.020 0.000 2.337 400 I HA 0.215 4.385 4.170 0.000 0.000 0.291 400 I C -0.099 176.077 176.117 0.098 0.000 1.046 400 I CA -0.323 61.005 61.300 0.047 0.000 1.324 400 I CB 0.923 38.933 38.000 0.016 0.000 1.409 400 I HN 0.145 nan 8.210 nan 0.000 0.494 401 V N 7.720 127.732 119.914 0.164 0.000 2.435 401 V HA 0.399 4.520 4.120 0.000 0.000 0.290 401 V C 0.104 176.270 176.094 0.121 0.000 1.030 401 V CA -0.685 61.704 62.300 0.148 0.000 0.881 401 V CB 1.716 33.656 31.823 0.196 0.000 0.983 401 V HN 0.463 nan 8.190 nan 0.000 0.445 402 L N 3.481 124.755 121.223 0.085 0.000 2.289 402 L HA 0.406 4.746 4.340 0.000 0.000 0.285 402 L C 1.023 177.941 176.870 0.079 0.000 1.049 402 L CA -0.274 54.604 54.840 0.063 0.000 0.804 402 L CB 1.470 43.557 42.059 0.046 0.000 1.195 402 L HN 0.853 nan 8.230 nan 0.000 0.428 403 S N 1.580 117.307 115.700 0.045 0.000 3.521 403 S HA -0.211 4.259 4.470 0.000 0.000 0.328 403 S C 0.618 175.378 174.600 0.265 0.000 1.165 403 S CA 1.196 59.441 58.200 0.074 0.000 0.941 403 S CB -1.272 62.014 63.200 0.144 0.000 0.951 403 S HN 0.940 nan 8.310 nan 0.000 0.539 404 E N -1.726 118.606 120.200 0.220 0.000 2.440 404 E HA -0.286 4.064 4.350 0.000 0.000 0.246 404 E C 1.018 177.731 176.600 0.189 0.000 1.165 404 E CA 0.693 57.251 56.400 0.263 0.000 0.726 404 E CB -2.086 27.843 29.700 0.382 0.000 1.271 404 E HN 1.428 nan 8.360 nan 0.000 0.397 405 G N -0.289 108.594 108.800 0.137 0.000 2.205 405 G HA2 -0.368 3.592 3.960 0.000 0.000 0.261 405 G HA3 -0.368 3.592 3.960 0.000 0.000 0.261 405 G C 0.334 175.286 174.900 0.087 0.000 0.980 405 G CA 0.480 45.633 45.100 0.089 0.000 0.632 405 G HN 0.212 nan 8.290 nan 0.000 0.533 406 R N 0.909 121.486 120.500 0.129 0.000 2.531 406 R HA 0.457 4.797 4.340 0.000 0.000 0.273 406 R C 1.447 177.794 176.300 0.080 0.000 1.070 406 R CA -0.485 55.668 56.100 0.088 0.000 1.112 406 R CB 0.428 30.797 30.300 0.116 0.000 1.049 406 R HN 0.817 nan 8.270 nan 0.000 0.508 407 L N 1.739 122.971 121.223 0.016 0.000 2.700 407 L HA -0.073 4.267 4.340 0.000 0.000 0.276 407 L C 0.998 177.884 176.870 0.026 0.000 1.200 407 L CA -0.094 54.745 54.840 -0.002 0.000 0.951 407 L CB -0.119 41.905 42.059 -0.059 0.000 1.226 407 L HN 0.659 nan 8.230 nan 0.000 0.489 408 L N 2.131 123.374 121.223 0.034 0.000 2.313 408 L HA -0.010 4.330 4.340 0.000 0.000 0.214 408 L C 2.273 179.164 176.870 0.034 0.000 1.119 408 L CA 1.282 56.148 54.840 0.044 0.000 0.809 408 L CB -1.085 40.999 42.059 0.041 0.000 0.933 408 L HN 0.804 nan 8.230 nan 0.000 0.449 409 N N 1.403 120.116 118.700 0.022 0.000 2.142 409 N HA -0.204 4.536 4.740 0.000 0.000 0.186 409 N C 1.717 177.238 175.510 0.018 0.000 1.023 409 N CA 2.117 55.187 53.050 0.033 0.000 0.852 409 N CB -0.918 37.603 38.487 0.057 0.000 0.998 409 N HN 0.506 nan 8.380 nan 0.000 0.424 410 L N -0.039 121.166 121.223 -0.030 0.000 2.179 410 L HA 0.162 4.502 4.340 0.000 0.000 0.208 410 L C 2.620 179.522 176.870 0.052 0.000 1.096 410 L CA 1.003 55.827 54.840 -0.028 0.000 0.779 410 L CB -0.528 41.436 42.059 -0.159 0.000 0.922 410 L HN 0.321 nan 8.230 nan 0.000 0.443 411 G N -0.412 108.432 108.800 0.074 0.000 2.404 411 G HA2 -0.199 3.761 3.960 0.000 0.000 0.214 411 G HA3 -0.199 3.761 3.960 0.000 0.000 0.214 411 G C 1.363 176.285 174.900 0.036 0.000 1.189 411 G CA 0.441 45.607 45.100 0.109 0.000 0.789 411 G HN 0.300 nan 8.290 nan 0.000 0.533 412 N N 0.410 119.128 118.700 0.029 0.000 2.325 412 N HA 0.295 5.035 4.740 0.000 0.000 0.182 412 N C 0.931 176.459 175.510 0.029 0.000 1.088 412 N CA 0.652 53.710 53.050 0.013 0.000 0.879 412 N CB 0.892 39.387 38.487 0.013 0.000 0.983 412 N HN 0.405 nan 8.380 nan 0.000 0.471 413 A N 0.222 123.070 122.820 0.045 0.000 3.785 413 A HA 0.405 4.725 4.320 0.000 0.000 0.171 413 A C 0.604 178.233 177.584 0.074 0.000 0.708 413 A CA 0.142 52.215 52.037 0.060 0.000 0.959 413 A CB -0.028 19.012 19.000 0.067 0.000 1.828 413 A HN 0.105 nan 8.150 nan 0.000 0.804 414 T N -2.524 112.083 114.554 0.089 0.000 3.145 414 T HA 0.521 4.871 4.350 0.000 0.000 0.281 414 T C 1.052 175.796 174.700 0.072 0.000 1.003 414 T CA 1.251 63.407 62.100 0.093 0.000 0.901 414 T CB -0.434 68.502 68.868 0.113 0.000 1.112 414 T HN 2.560 nan 8.240 nan 0.000 0.535 415 G N 1.760 110.591 108.800 0.052 0.000 2.697 415 G HA2 -0.208 3.752 3.960 0.000 0.000 0.240 415 G HA3 -0.208 3.752 3.960 0.000 0.000 0.240 415 G C -0.480 174.498 174.900 0.130 0.000 1.346 415 G CA -0.444 44.657 45.100 0.003 0.000 0.887 415 G HN 0.845 nan 8.290 nan 0.000 0.569 416 H N 1.821 120.894 119.070 0.004 0.000 2.948 416 H HA 0.271 4.828 4.556 0.000 0.000 0.351 416 H C -1.528 173.757 175.328 -0.071 0.000 1.079 416 H CA -0.326 55.710 56.048 -0.021 0.000 1.407 416 H CB 0.423 30.152 29.762 -0.055 0.000 1.373 416 H HN 0.481 nan 8.280 nan 0.000 0.605 417 P HA -0.016 nan 4.420 nan 0.000 0.272 417 P C 0.225 177.512 177.300 -0.023 0.000 1.223 417 P CA -0.212 62.800 63.100 -0.146 0.000 0.784 417 P CB 1.174 32.611 31.700 -0.438 0.000 0.923 418 S N 1.139 116.853 115.700 0.023 0.000 2.372 418 S HA -0.213 4.257 4.470 0.000 0.000 0.227 418 S C 1.542 176.180 174.600 0.063 0.000 1.044 418 S CA 1.392 59.624 58.200 0.053 0.000 1.050 418 S CB -1.119 62.132 63.200 0.084 0.000 0.901 418 S HN 0.538 nan 8.310 nan 0.000 0.447 419 F N 1.854 121.794 119.950 -0.017 0.000 2.171 419 F HA -0.128 4.400 4.527 0.000 0.000 0.300 419 F C 2.152 177.932 175.800 -0.035 0.000 1.090 419 F CA 0.901 58.911 58.000 0.017 0.000 1.293 419 F CB -0.251 38.760 39.000 0.017 0.000 1.013 419 F HN -0.032 nan 8.300 nan 0.000 0.486 420 V N -0.115 119.836 119.914 0.062 0.000 2.307 420 V HA -0.313 3.807 4.120 0.000 0.000 0.245 420 V C 2.343 178.340 176.094 -0.163 0.000 1.045 420 V CA 1.657 63.934 62.300 -0.038 0.000 1.024 420 V CB -0.502 31.316 31.823 -0.008 0.000 0.651 420 V HN 0.259 nan 8.190 nan 0.000 0.449 421 M N -0.305 119.188 119.600 -0.178 0.000 2.374 421 M HA -0.074 4.406 4.480 0.000 0.000 0.264 421 M C 2.444 178.520 176.300 -0.373 0.000 1.067 421 M CA 1.392 56.446 55.300 -0.409 0.000 1.103 421 M CB -1.692 30.636 32.600 -0.452 0.000 1.402 421 M HN 0.443 nan 8.290 nan 0.000 0.444 422 S N 1.137 116.722 115.700 -0.192 0.000 2.387 422 S HA -0.171 4.299 4.470 0.000 0.000 0.230 422 S C 1.747 176.264 174.600 -0.139 0.000 1.035 422 S CA 1.489 59.640 58.200 -0.082 0.000 1.014 422 S CB -0.130 63.044 63.200 -0.042 0.000 0.836 422 S HN 0.518 nan 8.310 nan 0.000 0.466 423 N N 0.917 119.370 118.700 -0.411 0.000 2.062 423 N HA -0.035 4.705 4.740 0.000 0.000 0.191 423 N C 2.015 177.412 175.510 -0.189 0.000 1.042 423 N CA 1.617 54.410 53.050 -0.430 0.000 0.845 423 N CB -0.800 37.357 38.487 -0.549 0.000 1.024 423 N HN 0.382 nan 8.380 nan 0.000 0.424 424 S N 1.015 116.593 115.700 -0.203 0.000 2.370 424 S HA -0.064 4.406 4.470 0.000 0.000 0.226 424 S C 1.733 176.363 174.600 0.050 0.000 1.033 424 S CA 1.030 59.148 58.200 -0.137 0.000 1.011 424 S CB -0.293 62.728 63.200 -0.298 0.000 0.852 424 S HN 0.222 nan 8.310 nan 0.000 0.457 425 F N 1.569 121.515 119.950 -0.006 0.000 2.335 425 F HA 0.294 4.821 4.527 0.000 0.000 0.296 425 F C 2.536 178.332 175.800 -0.007 0.000 1.091 425 F CA -0.377 57.624 58.000 0.002 0.000 1.399 425 F CB -1.457 37.542 39.000 -0.002 0.000 1.067 425 F HN 0.160 nan 8.300 nan 0.000 0.520 426 A N 0.661 123.575 122.820 0.157 0.000 1.908 426 A HA -0.266 4.054 4.320 0.000 0.000 0.218 426 A C 2.059 179.685 177.584 0.071 0.000 1.181 426 A CA 2.260 54.353 52.037 0.094 0.000 0.627 426 A CB -1.216 17.837 19.000 0.089 0.000 0.818 426 A HN 0.438 nan 8.150 nan 0.000 0.445 427 N N -0.990 117.748 118.700 0.063 0.000 2.084 427 N HA -0.183 4.557 4.740 0.000 0.000 0.190 427 N C 2.012 177.562 175.510 0.068 0.000 1.030 427 N CA 1.565 54.645 53.050 0.051 0.000 0.849 427 N CB -0.217 38.292 38.487 0.037 0.000 1.012 427 N HN 0.645 nan 8.380 nan 0.000 0.423 428 Q N -0.064 119.807 119.800 0.118 0.000 2.096 428 Q HA -0.115 4.225 4.340 0.000 0.000 0.204 428 Q C 1.677 177.702 176.000 0.042 0.000 0.982 428 Q CA 1.628 57.491 55.803 0.100 0.000 0.850 428 Q CB 0.007 28.841 28.738 0.160 0.000 0.901 428 Q HN 0.340 nan 8.270 nan 0.000 0.422 429 T N 0.471 115.047 114.554 0.036 0.000 2.708 429 T HA -0.133 4.218 4.350 0.000 0.000 0.266 429 T C 1.704 176.371 174.700 -0.055 0.000 1.037 429 T CA 1.375 63.461 62.100 -0.023 0.000 1.146 429 T CB -0.234 68.621 68.868 -0.022 0.000 0.865 429 T HN 0.244 nan 8.240 nan 0.000 0.435 430 I N 1.369 121.923 120.570 -0.027 0.000 2.163 430 I HA -0.237 3.933 4.170 0.000 0.000 0.243 430 I C 2.885 178.989 176.117 -0.022 0.000 1.085 430 I CA 1.278 62.559 61.300 -0.031 0.000 1.347 430 I CB -0.473 37.534 38.000 0.010 0.000 1.044 430 I HN 0.203 nan 8.210 nan 0.000 0.408 431 A N -0.054 122.764 122.820 -0.004 0.000 1.877 431 A HA -0.237 4.083 4.320 0.000 0.000 0.216 431 A C 2.284 179.846 177.584 -0.037 0.000 1.186 431 A CA 1.379 53.410 52.037 -0.009 0.000 0.620 431 A CB -0.544 18.461 19.000 0.008 0.000 0.822 431 A HN 0.387 nan 8.150 nan 0.000 0.443 432 Q N -0.155 119.623 119.800 -0.036 0.000 2.045 432 Q HA -0.191 4.149 4.340 0.000 0.000 0.206 432 Q C 2.183 178.173 176.000 -0.016 0.000 0.991 432 Q CA 1.815 57.593 55.803 -0.042 0.000 0.851 432 Q CB -0.558 28.144 28.738 -0.060 0.000 0.911 432 Q HN 0.783 nan 8.270 nan 0.000 0.418 433 I N 1.000 121.537 120.570 -0.055 0.000 2.264 433 I HA -0.264 3.906 4.170 0.000 0.000 0.248 433 I C 2.257 178.390 176.117 0.026 0.000 1.111 433 I CA 1.052 62.320 61.300 -0.053 0.000 1.382 433 I CB -0.256 37.602 38.000 -0.236 0.000 1.060 433 I HN 0.175 nan 8.210 nan 0.000 0.418 434 E N 0.431 120.639 120.200 0.013 0.000 2.028 434 E HA -0.178 4.172 4.350 0.000 0.000 0.191 434 E C 2.187 178.797 176.600 0.016 0.000 0.988 434 E CA 1.075 57.511 56.400 0.059 0.000 0.799 434 E CB -0.411 29.344 29.700 0.093 0.000 0.755 434 E HN 0.267 nan 8.360 nan 0.000 0.447 435 L N 0.665 121.803 121.223 -0.142 0.000 2.083 435 L HA -0.114 4.226 4.340 0.000 0.000 0.209 435 L C 2.081 178.913 176.870 -0.063 0.000 1.083 435 L CA 1.461 56.110 54.840 -0.319 0.000 0.752 435 L CB -0.683 41.199 42.059 -0.295 0.000 0.899 435 L HN 0.318 nan 8.230 nan 0.000 0.433 436 W N -0.009 121.207 121.300 -0.139 0.000 2.408 436 W HA -0.223 4.437 4.660 0.000 0.000 0.311 436 W C 2.265 178.754 176.519 -0.050 0.000 1.190 436 W CA 2.193 59.479 57.345 -0.097 0.000 1.321 436 W CB -0.292 29.110 29.460 -0.097 0.000 1.143 436 W HN 0.383 nan 8.180 nan 0.000 0.501 437 T N -1.219 113.330 114.554 -0.008 0.000 3.023 437 T HA -0.011 4.339 4.350 0.000 0.000 0.266 437 T C 1.137 175.798 174.700 -0.065 0.000 1.093 437 T CA 0.830 62.884 62.100 -0.076 0.000 1.129 437 T CB -0.191 68.711 68.868 0.058 0.000 0.899 437 T HN 0.039 nan 8.240 nan 0.000 0.491 438 K N 0.857 121.263 120.400 0.010 0.000 2.758 438 K HA 0.324 4.644 4.320 0.000 0.000 0.208 438 K C 1.365 178.059 176.600 0.157 0.000 1.091 438 K CA -0.262 56.070 56.287 0.075 0.000 1.059 438 K CB 0.158 32.741 32.500 0.138 0.000 0.801 438 K HN 0.207 nan 8.250 nan 0.000 0.470 439 N N 1.651 120.370 118.700 0.032 0.000 2.258 439 N HA -0.168 4.572 4.740 0.000 0.000 0.187 439 N C 0.129 175.716 175.510 0.128 0.000 1.012 439 N CA 1.225 54.304 53.050 0.049 0.000 0.870 439 N CB 0.275 38.686 38.487 -0.126 0.000 0.977 439 N HN 0.263 nan 8.380 nan 0.000 0.434 440 D N 0.291 120.717 120.400 0.044 0.000 2.319 440 D HA 0.015 4.655 4.640 0.000 0.000 0.230 440 D C 0.374 176.670 176.300 -0.006 0.000 1.094 440 D CA 0.301 54.311 54.000 0.017 0.000 0.856 440 D CB 0.147 40.933 40.800 -0.024 0.000 0.915 440 D HN 0.458 nan 8.370 nan 0.000 0.517 441 E N -0.440 119.740 120.200 -0.035 0.000 2.481 441 E HA 0.048 4.398 4.350 0.000 0.000 0.198 441 E C -0.418 175.914 176.600 -0.447 0.000 1.027 441 E CA -0.043 56.208 56.400 -0.249 0.000 0.900 441 E CB 0.526 29.997 29.700 -0.382 0.000 0.993 441 E HN 0.275 nan 8.360 nan 0.000 0.482 442 Y N 0.616 120.837 120.300 -0.132 0.000 2.364 442 Y HA 0.251 4.801 4.550 0.000 0.000 0.340 442 Y C 0.219 176.167 175.900 0.079 0.000 0.975 442 Y CA -1.345 56.656 58.100 -0.165 0.000 1.089 442 Y CB 1.250 39.555 38.460 -0.260 0.000 1.192 442 Y HN -0.164 nan 8.280 nan 0.000 0.454 443 D N 0.429 121.072 120.400 0.406 0.000 2.466 443 D HA 0.136 4.776 4.640 0.000 0.000 0.262 443 D C -0.263 176.235 176.300 0.329 0.000 1.177 443 D CA -0.553 53.630 54.000 0.304 0.000 1.035 443 D CB 0.561 41.501 40.800 0.234 0.000 1.105 443 D HN 0.409 nan 8.370 nan 0.000 0.551 444 N N 1.173 119.982 118.700 0.182 0.000 3.193 444 N HA 0.079 4.819 4.740 0.000 0.000 0.312 444 N C -0.551 175.009 175.510 0.083 0.000 1.261 444 N CA 0.248 53.371 53.050 0.121 0.000 1.208 444 N CB -0.063 38.445 38.487 0.035 0.000 1.471 444 N HN 0.295 nan 8.380 nan 0.000 0.548 445 E N -1.150 119.127 120.200 0.129 0.000 2.410 445 E HA 0.449 4.799 4.350 0.000 0.000 0.269 445 E C -0.773 175.776 176.600 -0.085 0.000 0.937 445 E CA -0.992 55.377 56.400 -0.051 0.000 0.793 445 E CB 2.032 31.572 29.700 -0.266 0.000 1.314 445 E HN -0.146 nan 8.360 nan 0.000 0.447 446 V N 2.040 121.865 119.914 -0.148 0.000 2.407 446 V HA 0.298 4.418 4.120 0.000 0.000 0.278 446 V C -1.061 174.936 176.094 -0.161 0.000 1.037 446 V CA -0.325 61.941 62.300 -0.056 0.000 0.900 446 V CB -0.165 31.639 31.823 -0.033 0.000 0.983 446 V HN 0.496 nan 8.190 nan 0.000 0.459 447 Y N 3.588 123.980 120.300 0.154 0.000 2.509 447 Y HA 0.717 5.267 4.550 0.000 0.000 0.341 447 Y C 0.473 176.459 175.900 0.143 0.000 1.038 447 Y CA -0.968 57.238 58.100 0.177 0.000 1.089 447 Y CB 1.847 40.464 38.460 0.261 0.000 1.241 447 Y HN 0.457 nan 8.280 nan 0.000 0.468 448 R N 1.105 121.786 120.500 0.302 0.000 2.787 448 R HA 0.588 4.929 4.340 0.000 0.000 0.271 448 R C -1.179 175.237 176.300 0.194 0.000 0.993 448 R CA -1.067 55.157 56.100 0.207 0.000 0.993 448 R CB 1.520 31.920 30.300 0.167 0.000 1.155 448 R HN 0.548 nan 8.270 nan 0.000 0.486 449 L N 3.279 124.581 121.223 0.131 0.000 2.461 449 L HA 0.216 4.556 4.340 0.000 0.000 0.272 449 L C -1.642 175.262 176.870 0.057 0.000 1.197 449 L CA -1.598 53.293 54.840 0.085 0.000 0.836 449 L CB 0.160 42.242 42.059 0.037 0.000 1.105 449 L HN 0.347 nan 8.230 nan 0.000 0.477 450 P HA 0.002 nan 4.420 nan 0.000 0.269 450 P C 0.041 177.306 177.300 -0.058 0.000 1.215 450 P CA -0.360 62.745 63.100 0.007 0.000 0.780 450 P CB 0.812 32.525 31.700 0.020 0.000 0.898 451 K N 1.668 122.098 120.400 0.049 0.000 2.113 451 K HA -0.230 4.090 4.320 0.000 0.000 0.208 451 K C 2.090 178.714 176.600 0.041 0.000 1.047 451 K CA 1.529 57.861 56.287 0.074 0.000 0.928 451 K CB -0.359 32.225 32.500 0.140 0.000 0.716 451 K HN 0.623 nan 8.250 nan 0.000 0.446 452 H N 0.367 119.463 119.070 0.042 0.000 2.387 452 H HA -0.141 4.415 4.556 0.000 0.000 0.299 452 H C 1.949 177.304 175.328 0.045 0.000 1.099 452 H CA 1.457 57.520 56.048 0.023 0.000 1.315 452 H CB -0.581 29.180 29.762 -0.001 0.000 1.380 452 H HN 0.240 nan 8.280 nan 0.000 0.513 453 L N 0.566 121.510 121.223 -0.465 0.000 2.156 453 L HA -0.110 4.230 4.340 0.000 0.000 0.208 453 L C 2.248 179.076 176.870 -0.069 0.000 1.095 453 L CA 1.111 55.822 54.840 -0.214 0.000 0.770 453 L CB -0.315 41.600 42.059 -0.240 0.000 0.914 453 L HN 0.129 nan 8.230 nan 0.000 0.439 454 D N 0.385 120.751 120.400 -0.056 0.000 2.097 454 D HA -0.161 4.480 4.640 0.000 0.000 0.197 454 D C 2.152 178.450 176.300 -0.004 0.000 0.984 454 D CA 1.133 55.119 54.000 -0.024 0.000 0.826 454 D CB -0.007 40.784 40.800 -0.014 0.000 0.973 454 D HN 0.357 nan 8.370 nan 0.000 0.460 455 E N 0.582 120.808 120.200 0.042 0.000 2.110 455 E HA -0.174 4.176 4.350 0.000 0.000 0.193 455 E C 1.962 178.614 176.600 0.087 0.000 0.988 455 E CA 0.623 57.079 56.400 0.094 0.000 0.804 455 E CB 0.010 29.812 29.700 0.170 0.000 0.745 455 E HN 0.199 nan 8.360 nan 0.000 0.458 456 K N 1.192 121.636 120.400 0.074 0.000 2.063 456 K HA -0.174 4.146 4.320 0.000 0.000 0.208 456 K C 2.077 178.711 176.600 0.056 0.000 1.048 456 K CA 1.321 57.651 56.287 0.072 0.000 0.928 456 K CB -0.010 32.535 32.500 0.075 0.000 0.713 456 K HN 0.002 nan 8.250 nan 0.000 0.442 457 V N 1.315 121.252 119.914 0.040 0.000 2.307 457 V HA -0.223 3.897 4.120 0.000 0.000 0.245 457 V C 2.531 178.677 176.094 0.087 0.000 1.045 457 V CA 1.881 64.215 62.300 0.056 0.000 1.024 457 V CB -0.779 31.046 31.823 0.002 0.000 0.651 457 V HN 0.495 nan 8.190 nan 0.000 0.449 458 A N 0.056 122.865 122.820 -0.018 0.000 1.892 458 A HA -0.326 3.994 4.320 0.000 0.000 0.218 458 A C 2.409 180.020 177.584 0.044 0.000 1.188 458 A CA 2.438 54.442 52.037 -0.054 0.000 0.631 458 A CB -0.674 18.286 19.000 -0.068 0.000 0.822 458 A HN 0.485 nan 8.150 nan 0.000 0.447 459 R N -0.452 120.085 120.500 0.061 0.000 2.105 459 R HA -0.108 4.232 4.340 0.000 0.000 0.239 459 R C 1.967 178.290 176.300 0.038 0.000 1.135 459 R CA 1.727 57.866 56.100 0.065 0.000 0.967 459 R CB -0.416 29.932 30.300 0.079 0.000 0.861 459 R HN 0.595 nan 8.270 nan 0.000 0.442 460 I N -0.362 120.211 120.570 0.005 0.000 2.226 460 I HA -0.278 3.892 4.170 0.000 0.000 0.245 460 I C 1.797 177.800 176.117 -0.189 0.000 1.100 460 I CA 1.563 62.794 61.300 -0.115 0.000 1.374 460 I CB -0.241 37.634 38.000 -0.209 0.000 1.057 460 I HN 0.298 nan 8.210 nan 0.000 0.413 461 H N -0.728 118.311 119.070 -0.053 0.000 2.372 461 H HA -0.043 4.513 4.556 0.000 0.000 0.301 461 H C 2.266 177.673 175.328 0.133 0.000 1.065 461 H CA 1.093 57.143 56.048 0.003 0.000 1.364 461 H CB -0.299 29.357 29.762 -0.177 0.000 1.406 461 H HN 0.009 nan 8.280 nan 0.000 0.521 462 V N 1.009 121.015 119.914 0.153 0.000 2.252 462 V HA -0.312 3.808 4.120 0.000 0.000 0.249 462 V C 2.432 178.571 176.094 0.075 0.000 1.056 462 V CA 2.323 64.684 62.300 0.101 0.000 1.022 462 V CB -0.452 31.414 31.823 0.071 0.000 0.641 462 V HN 0.430 nan 8.190 nan 0.000 0.445 463 E N 0.788 121.025 120.200 0.062 0.000 2.070 463 E HA -0.253 4.098 4.350 0.000 0.000 0.197 463 E C 2.078 178.709 176.600 0.052 0.000 1.004 463 E CA 2.030 58.460 56.400 0.051 0.000 0.805 463 E CB -0.553 29.169 29.700 0.037 0.000 0.744 463 E HN 0.525 nan 8.360 nan 0.000 0.451 464 A N 0.373 123.238 122.820 0.075 0.000 1.933 464 A HA -0.104 4.216 4.320 0.000 0.000 0.218 464 A C 2.244 179.885 177.584 0.094 0.000 1.175 464 A CA 1.408 53.513 52.037 0.113 0.000 0.628 464 A CB -0.640 18.479 19.000 0.198 0.000 0.814 464 A HN 0.374 nan 8.150 nan 0.000 0.444 465 L N -1.446 119.831 121.223 0.090 0.000 2.552 465 L HA 0.105 4.445 4.340 0.000 0.000 0.227 465 L C 1.788 178.622 176.870 -0.061 0.000 1.146 465 L CA 0.618 55.439 54.840 -0.031 0.000 0.858 465 L CB -0.284 41.752 42.059 -0.038 0.000 0.969 465 L HN 0.617 nan 8.230 nan 0.000 0.451 466 G N -0.414 108.356 108.800 -0.050 0.000 2.175 466 G HA2 -0.218 3.742 3.960 0.000 0.000 0.244 466 G HA3 -0.218 3.742 3.960 0.000 0.000 0.244 466 G C 0.618 175.346 174.900 -0.286 0.000 0.982 466 G CA -0.221 44.806 45.100 -0.122 0.000 0.641 466 G HN 0.514 nan 8.290 nan 0.000 0.527 467 G N -0.400 108.292 108.800 -0.180 0.000 2.414 467 G HA2 0.439 4.399 3.960 0.000 0.000 0.236 467 G HA3 0.439 4.399 3.960 0.000 0.000 0.236 467 G C -0.341 174.455 174.900 -0.173 0.000 1.293 467 G CA 0.034 45.022 45.100 -0.187 0.000 0.869 467 G HN 0.642 nan 8.290 nan 0.000 0.556 468 H N 1.342 120.421 119.070 0.015 0.000 2.638 468 H HA 0.269 4.825 4.556 0.000 0.000 0.303 468 H C 0.271 175.603 175.328 0.007 0.000 1.034 468 H CA -0.880 55.174 56.048 0.011 0.000 1.225 468 H CB 1.324 31.090 29.762 0.007 0.000 1.394 468 H HN 0.201 nan 8.280 nan 0.000 0.477 469 L N 2.576 123.875 121.223 0.127 0.000 2.417 469 L HA 0.151 4.491 4.340 0.000 0.000 0.268 469 L C 0.535 177.429 176.870 0.039 0.000 1.158 469 L CA -0.020 54.855 54.840 0.057 0.000 0.819 469 L CB 1.069 43.150 42.059 0.037 0.000 1.112 469 L HN 0.628 nan 8.230 nan 0.000 0.458 470 T N 2.694 117.250 114.554 0.003 0.000 2.909 470 T HA 0.192 4.542 4.350 0.000 0.000 0.286 470 T C -0.077 174.611 174.700 -0.020 0.000 1.002 470 T CA -0.438 61.658 62.100 -0.007 0.000 1.074 470 T CB 1.193 70.051 68.868 -0.017 0.000 0.984 470 T HN 0.384 nan 8.240 nan 0.000 0.495 471 K N 3.470 123.868 120.400 -0.003 0.000 2.265 471 K HA 0.425 4.745 4.320 0.000 0.000 0.267 471 K C -0.347 176.261 176.600 0.014 0.000 0.994 471 K CA -0.652 55.644 56.287 0.013 0.000 0.860 471 K CB 0.551 33.065 32.500 0.023 0.000 1.099 471 K HN 0.514 nan 8.250 nan 0.000 0.448 472 L N 3.660 124.901 121.223 0.030 0.000 2.514 472 L HA 0.024 4.365 4.340 0.000 0.000 0.280 472 L C 1.029 177.922 176.870 0.039 0.000 1.223 472 L CA 0.082 54.946 54.840 0.040 0.000 0.864 472 L CB 0.495 42.604 42.059 0.084 0.000 1.118 472 L HN 0.828 nan 8.230 nan 0.000 0.494 473 T N -0.931 113.640 114.554 0.027 0.000 2.816 473 T HA 0.130 4.480 4.350 0.000 0.000 0.282 473 T C 0.963 175.684 174.700 0.035 0.000 0.993 473 T CA -0.697 61.416 62.100 0.022 0.000 0.994 473 T CB 1.267 70.139 68.868 0.008 0.000 1.025 473 T HN 0.641 nan 8.240 nan 0.000 0.529 474 K N 0.241 120.659 120.400 0.030 0.000 2.032 474 K HA -0.167 4.153 4.320 0.000 0.000 0.209 474 K C 2.263 178.890 176.600 0.044 0.000 1.048 474 K CA 1.703 58.011 56.287 0.036 0.000 0.927 474 K CB -0.136 32.380 32.500 0.027 0.000 0.712 474 K HN 0.714 nan 8.250 nan 0.000 0.441 475 E N 0.280 120.501 120.200 0.037 0.000 2.077 475 E HA -0.224 4.127 4.350 0.000 0.000 0.193 475 E C 2.216 178.861 176.600 0.076 0.000 0.989 475 E CA 1.265 57.693 56.400 0.046 0.000 0.800 475 E CB 0.015 29.727 29.700 0.019 0.000 0.746 475 E HN 0.444 nan 8.360 nan 0.000 0.452 476 Q N 0.133 119.964 119.800 0.052 0.000 2.084 476 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 476 Q C 2.202 178.284 176.000 0.137 0.000 0.978 476 Q CA 1.358 57.206 55.803 0.075 0.000 0.844 476 Q CB -0.159 28.599 28.738 0.032 0.000 0.898 476 Q HN 0.206 nan 8.270 nan 0.000 0.426 477 A N 1.119 124.003 122.820 0.107 0.000 1.902 477 A HA -0.245 4.075 4.320 0.000 0.000 0.217 477 A C 1.920 179.564 177.584 0.101 0.000 1.181 477 A CA 1.520 53.622 52.037 0.109 0.000 0.623 477 A CB -0.518 18.537 19.000 0.091 0.000 0.818 477 A HN 0.404 nan 8.150 nan 0.000 0.443 478 E N -1.611 118.648 120.200 0.097 0.000 2.110 478 E HA -0.245 4.105 4.350 0.000 0.000 0.193 478 E C 1.801 178.466 176.600 0.108 0.000 0.988 478 E CA 1.492 57.943 56.400 0.085 0.000 0.804 478 E CB -0.272 29.477 29.700 0.080 0.000 0.745 478 E HN 0.738 nan 8.360 nan 0.000 0.458 479 Y N 0.810 121.121 120.300 0.019 0.000 2.200 479 Y HA -0.125 4.425 4.550 0.000 0.000 0.290 479 Y C 1.911 177.822 175.900 0.018 0.000 1.137 479 Y CA 1.456 59.566 58.100 0.017 0.000 1.163 479 Y CB -0.002 38.467 38.460 0.016 0.000 0.988 479 Y HN 0.014 nan 8.280 nan 0.000 0.518 480 L N -0.649 120.651 121.223 0.129 0.000 2.478 480 L HA 0.123 4.463 4.340 0.000 0.000 0.223 480 L C 1.557 178.430 176.870 0.005 0.000 1.140 480 L CA 0.719 55.589 54.840 0.049 0.000 0.842 480 L CB -0.791 41.333 42.059 0.109 0.000 0.953 480 L HN 0.484 nan 8.230 nan 0.000 0.452 481 G N 1.315 110.122 108.800 0.011 0.000 2.246 481 G HA2 -0.221 3.739 3.960 0.000 0.000 0.273 481 G HA3 -0.221 3.739 3.960 0.000 0.000 0.273 481 G C 0.037 174.943 174.900 0.011 0.000 1.055 481 G CA 0.355 45.456 45.100 0.001 0.000 0.851 481 G HN 0.311 nan 8.290 nan 0.000 0.500 482 V N -3.979 115.955 119.914 0.033 0.000 3.074 482 V HA 0.862 4.982 4.120 0.000 0.000 0.314 482 V C -0.173 175.931 176.094 0.016 0.000 1.117 482 V CA -1.604 60.708 62.300 0.019 0.000 1.014 482 V CB 2.154 34.013 31.823 0.061 0.000 1.057 482 V HN 0.029 nan 8.190 nan 0.000 0.438 483 D N 1.064 121.443 120.400 -0.035 0.000 2.341 483 D HA 0.335 4.975 4.640 0.000 0.000 0.245 483 D C 1.227 177.531 176.300 0.008 0.000 1.106 483 D CA -0.175 53.808 54.000 -0.028 0.000 0.905 483 D CB 2.085 42.845 40.800 -0.068 0.000 1.202 483 D HN 0.393 nan 8.370 nan 0.000 0.426 484 V N 1.785 121.733 119.914 0.057 0.000 2.568 484 V HA -0.185 3.935 4.120 0.000 0.000 0.253 484 V C 1.702 177.901 176.094 0.175 0.000 1.072 484 V CA 1.533 63.912 62.300 0.133 0.000 1.084 484 V CB -0.252 31.625 31.823 0.090 0.000 0.676 484 V HN 0.473 nan 8.190 nan 0.000 0.469 485 E N -0.217 120.006 120.200 0.038 0.000 2.463 485 E HA 0.327 4.677 4.350 0.000 0.000 0.193 485 E C 1.075 177.552 176.600 -0.206 0.000 1.041 485 E CA 0.694 57.102 56.400 0.014 0.000 0.879 485 E CB 0.297 29.996 29.700 -0.002 0.000 0.997 485 E HN 0.576 nan 8.360 nan 0.000 0.478 486 G N 2.529 110.980 108.800 -0.582 0.000 2.796 486 G HA2 -0.190 3.770 3.960 0.000 0.000 0.571 486 G HA3 -0.190 3.770 3.960 0.000 0.000 0.571 486 G C -2.670 171.979 174.900 -0.419 0.000 1.370 486 G CA -0.908 43.556 45.100 -1.060 0.000 0.856 486 G HN 0.018 nan 8.290 nan 0.000 0.538 487 P HA 0.435 nan 4.420 nan 0.000 0.272 487 P C -0.076 176.990 177.300 -0.390 0.000 1.223 487 P CA -0.144 62.764 63.100 -0.320 0.000 0.784 487 P CB 0.228 31.900 31.700 -0.046 0.000 0.923 488 Y N -0.631 119.686 120.300 0.028 0.000 2.497 488 Y HA 0.180 4.730 4.550 0.000 0.000 0.265 488 Y C 1.012 176.839 175.900 -0.121 0.000 1.111 488 Y CA 0.694 58.777 58.100 -0.028 0.000 1.288 488 Y CB 0.242 38.692 38.460 -0.016 0.000 1.082 488 Y HN 0.081 nan 8.280 nan 0.000 0.536 489 K N 0.649 121.031 120.400 -0.030 0.000 2.385 489 K HA 0.413 4.734 4.320 0.000 0.000 0.248 489 K C -2.787 173.742 176.600 -0.118 0.000 0.955 489 K CA -2.256 53.891 56.287 -0.233 0.000 0.816 489 K CB 1.167 33.389 32.500 -0.463 0.000 1.250 489 K HN -0.166 nan 8.250 nan 0.000 0.434 490 P HA 0.077 nan 4.420 nan 0.000 0.272 490 P C 0.244 177.483 177.300 -0.100 0.000 1.240 490 P CA -0.082 62.945 63.100 -0.122 0.000 0.791 490 P CB 0.689 32.262 31.700 -0.212 0.000 0.978 491 D N -0.427 119.976 120.400 0.004 0.000 2.178 491 D HA -0.221 4.419 4.640 0.000 0.000 0.201 491 D C 1.450 177.819 176.300 0.115 0.000 0.980 491 D CA 1.494 55.551 54.000 0.095 0.000 0.842 491 D CB -0.317 40.567 40.800 0.139 0.000 0.948 491 D HN 0.625 nan 8.370 nan 0.000 0.472 492 H N -2.971 116.171 119.070 0.121 0.000 2.539 492 H HA 0.133 4.689 4.556 0.000 0.000 0.269 492 H C -0.064 175.315 175.328 0.086 0.000 0.980 492 H CA -0.541 55.562 56.048 0.092 0.000 1.152 492 H CB -1.008 28.788 29.762 0.056 0.000 1.407 492 H HN 0.127 nan 8.280 nan 0.000 0.564 493 Y N 2.471 122.556 120.300 -0.357 0.000 2.717 493 Y HA -0.036 4.514 4.550 0.000 0.000 0.330 493 Y C 1.005 176.799 175.900 -0.177 0.000 1.217 493 Y CA 0.211 58.103 58.100 -0.346 0.000 1.506 493 Y CB 0.546 38.711 38.460 -0.492 0.000 1.268 493 Y HN 0.188 nan 8.280 nan 0.000 0.561 494 R N 3.823 123.851 120.500 -0.786 0.000 2.365 494 R HA 0.097 4.437 4.340 0.000 0.000 0.223 494 R C -0.795 175.391 176.300 -0.190 0.000 0.899 494 R CA -0.153 55.762 56.100 -0.308 0.000 1.059 494 R CB 0.118 30.279 30.300 -0.232 0.000 1.086 494 R HN 0.827 nan 8.270 nan 0.000 0.522 495 Y N 0.000 119.959 120.300 -0.569 0.000 2.660 495 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 495 Y CA 0.000 58.045 58.100 -0.091 0.000 1.940 495 Y CB 0.000 38.539 38.460 0.131 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758