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 2vm8_1_A DATA FIRST_RESID 14 DATA SEQUENCE SDRLLIKGGK IVNDDQSFYA DIYMEDGLIK QIGENLIVPG GVKTIEAHSR DATA SEQUENCE MVIPGGIDVH TRFQMPDQGM TSADDFFQGT KAALAGGTTM IIDHVVPEPG DATA SEQUENCE TSLLAAFDQW REWADSKSCC DYSLHVDISE WHKGIQEEME ALVKDHGVNS DATA SEQUENCE FLVYMAFKDR FQLTDCQIYE VLSVIRDIGA IAQVHAENGD IIAEEQQRIL DATA SEQUENCE DLGITGPEGH VLSRPEEVEA EAVNRAITIA NQTNCPLYIT KVMSKSSAEV DATA SEQUENCE IAQARKKGTV VYGEPITASL GTDGSHYWSK NWAKAAAFVT SPPLSPDPTT DATA SEQUENCE PDFLNSLLSC GDLQVTGSAH CTFNTAQKAV GKDNFTLIPE GTNGTEERMS DATA SEQUENCE VIWDKAVVTG KMDENQFVAV TSTNAAKVFN LYPRKGRIAV GSDADLVIWD DATA SEQUENCE PDSVKTISAK THNSSLEYNI FEGMECRGSP LVVISQGKIV LEDGTLHVTE DATA SEQUENCE GSGRYIPRKP FPDFVYKRIK ARSRLAE 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 14 S HA 0.000 nan 4.470 nan 0.000 0.327 14 S C 0.000 174.586 174.600 -0.024 0.000 1.055 14 S CA 0.000 58.189 58.200 -0.018 0.000 1.107 14 S CB 0.000 63.186 63.200 -0.023 0.000 0.593 15 D N 0.740 121.121 120.400 -0.030 0.000 5.703 15 D HA -0.117 4.523 4.640 0.000 0.000 0.317 15 D C -0.552 175.724 176.300 -0.041 0.000 2.508 15 D CA 0.900 54.885 54.000 -0.026 0.000 1.333 15 D CB -0.274 40.523 40.800 -0.005 0.000 1.145 15 D HN 0.761 nan 8.370 nan 0.000 1.293 16 R N -0.576 119.919 120.500 -0.008 0.000 2.619 16 R HA 0.397 4.737 4.340 0.000 0.000 0.268 16 R C -0.459 175.853 176.300 0.019 0.000 0.990 16 R CA 0.321 56.434 56.100 0.022 0.000 1.092 16 R CB 0.056 30.452 30.300 0.160 0.000 0.935 16 R HN 0.412 nan 8.270 nan 0.000 0.415 17 L N 3.197 124.428 121.223 0.013 0.000 2.643 17 L HA 0.384 4.724 4.340 0.000 0.000 0.257 17 L C -2.171 174.766 176.870 0.112 0.000 0.922 17 L CA -0.509 54.354 54.840 0.039 0.000 0.909 17 L CB 1.916 43.964 42.059 -0.018 0.000 1.424 17 L HN 0.525 nan 8.230 nan 0.000 0.422 18 L N 5.381 126.685 121.223 0.135 0.000 2.372 18 L HA 0.655 4.996 4.340 0.000 0.000 0.274 18 L C -1.118 175.794 176.870 0.070 0.000 0.988 18 L CA -0.120 54.816 54.840 0.161 0.000 0.833 18 L CB 1.380 43.529 42.059 0.150 0.000 1.236 18 L HN 0.578 nan 8.230 nan 0.000 0.410 19 I N 4.868 125.471 120.570 0.054 0.000 2.352 19 I HA 0.284 4.454 4.170 0.000 0.000 0.290 19 I C -0.043 176.081 176.117 0.013 0.000 1.036 19 I CA -0.359 60.952 61.300 0.019 0.000 1.336 19 I CB 1.021 39.026 38.000 0.007 0.000 1.407 19 I HN 0.575 nan 8.210 nan 0.000 0.497 20 K N 4.807 125.198 120.400 -0.016 0.000 2.274 20 K HA 0.454 4.774 4.320 0.000 0.000 0.262 20 K C 0.503 177.074 176.600 -0.048 0.000 0.961 20 K CA -0.302 55.969 56.287 -0.026 0.000 0.833 20 K CB 1.482 33.956 32.500 -0.042 0.000 1.102 20 K HN 0.815 nan 8.250 nan 0.000 0.436 21 G N 2.698 111.493 108.800 -0.008 0.000 2.295 21 G HA2 -0.234 3.727 3.960 0.000 0.000 0.287 21 G HA3 -0.234 3.727 3.960 0.000 0.000 0.287 21 G C 0.234 175.169 174.900 0.058 0.000 1.055 21 G CA 0.182 45.292 45.100 0.017 0.000 0.922 21 G HN 0.849 nan 8.290 nan 0.000 0.503 22 G N -1.089 107.744 108.800 0.054 0.000 2.531 22 G HA2 0.605 4.566 3.960 0.000 0.000 0.313 22 G HA3 0.605 4.566 3.960 0.000 0.000 0.313 22 G C -0.075 174.867 174.900 0.069 0.000 1.238 22 G CA -0.398 44.739 45.100 0.062 0.000 0.994 22 G HN 0.454 nan 8.290 nan 0.000 0.493 23 K N 0.864 121.236 120.400 -0.047 0.000 2.300 23 K HA 0.298 4.619 4.320 0.000 0.000 0.264 23 K C 0.064 176.463 176.600 -0.334 0.000 1.083 23 K CA -0.450 55.634 56.287 -0.339 0.000 0.958 23 K CB 0.182 32.437 32.500 -0.409 0.000 1.318 23 K HN 0.353 nan 8.250 nan 0.000 0.448 24 I N 4.349 124.624 120.570 -0.491 0.000 2.752 24 I HA -0.082 4.088 4.170 0.000 0.000 0.286 24 I C -0.197 175.666 176.117 -0.423 0.000 1.180 24 I CA 0.074 61.054 61.300 -0.532 0.000 1.404 24 I CB 0.469 37.894 38.000 -0.958 0.000 1.389 24 I HN 0.210 nan 8.210 nan 0.000 0.549 25 V N 7.514 127.314 119.914 -0.190 0.000 2.313 25 V HA 0.310 4.431 4.120 0.000 0.000 0.278 25 V C 0.206 176.300 176.094 0.000 0.000 1.017 25 V CA -0.685 61.575 62.300 -0.067 0.000 0.823 25 V CB 0.875 32.688 31.823 -0.016 0.000 1.010 25 V HN 0.659 nan 8.190 nan 0.000 0.443 26 N N 2.795 121.530 118.700 0.057 0.000 2.604 26 N HA 0.271 5.012 4.740 0.000 0.000 0.297 26 N C 1.015 176.574 175.510 0.081 0.000 1.266 26 N CA -0.478 52.625 53.050 0.087 0.000 0.961 26 N CB 1.090 39.666 38.487 0.149 0.000 1.166 26 N HN 0.724 nan 8.380 nan 0.000 0.601 27 D N -0.841 119.601 120.400 0.070 0.000 2.323 27 D HA -0.121 4.520 4.640 0.000 0.000 0.209 27 D C 0.442 176.772 176.300 0.049 0.000 0.973 27 D CA 0.830 54.856 54.000 0.042 0.000 0.874 27 D CB 0.083 40.882 40.800 -0.001 0.000 0.930 27 D HN 0.596 nan 8.370 nan 0.000 0.521 28 D N -0.188 120.255 120.400 0.070 0.000 2.388 28 D HA -0.031 4.609 4.640 0.000 0.000 0.208 28 D C 0.831 177.175 176.300 0.073 0.000 1.035 28 D CA 0.371 54.410 54.000 0.064 0.000 0.875 28 D CB 0.310 41.151 40.800 0.067 0.000 0.984 28 D HN 0.553 nan 8.370 nan 0.000 0.508 29 Q N -1.707 118.157 119.800 0.108 0.000 2.841 29 Q HA 0.539 4.880 4.340 0.000 0.000 0.309 29 Q C -1.655 174.449 176.000 0.173 0.000 0.868 29 Q CA -1.002 54.875 55.803 0.123 0.000 0.760 29 Q CB 0.825 29.629 28.738 0.110 0.000 1.454 29 Q HN -0.123 nan 8.270 nan 0.000 0.449 30 S N 0.225 116.021 115.700 0.161 0.000 2.566 30 S HA 0.969 5.439 4.470 0.000 0.000 0.298 30 S C -1.369 173.355 174.600 0.207 0.000 1.083 30 S CA -0.575 57.687 58.200 0.103 0.000 0.978 30 S CB 0.923 64.106 63.200 -0.029 0.000 1.073 30 S HN 0.614 nan 8.310 nan 0.000 0.491 31 F N -1.228 118.616 119.950 -0.177 0.000 2.725 31 F HA 0.558 5.088 4.527 0.003 0.000 0.309 31 F C -2.217 173.446 175.800 -0.229 0.000 1.132 31 F CA -1.549 56.348 58.000 -0.171 0.000 0.957 31 F CB 0.395 39.376 39.000 -0.033 0.000 1.286 31 F HN 0.426 nan 8.300 nan 0.000 0.440 32 Y N 1.979 122.358 120.300 0.131 0.000 2.425 32 Y HA 0.731 5.281 4.550 0.000 0.000 0.347 32 Y C 0.375 176.319 175.900 0.073 0.000 0.976 32 Y CA -0.015 58.103 58.100 0.030 0.000 1.190 32 Y CB 0.946 39.440 38.460 0.057 0.000 1.136 32 Y HN 1.005 nan 8.280 nan 0.000 0.517 33 A N 2.368 125.244 122.820 0.093 0.000 2.606 33 A HA 0.601 4.921 4.320 0.000 0.000 0.293 33 A C -1.525 176.089 177.584 0.050 0.000 1.082 33 A CA -1.085 51.020 52.037 0.113 0.000 0.685 33 A CB 1.192 20.307 19.000 0.191 0.000 1.284 33 A HN 0.494 nan 8.150 nan 0.000 0.408 34 D N 0.665 121.106 120.400 0.069 0.000 2.302 34 D HA 0.579 5.219 4.640 0.000 0.000 0.248 34 D C -0.320 176.021 176.300 0.068 0.000 1.094 34 D CA 0.515 54.547 54.000 0.053 0.000 0.897 34 D CB 1.032 41.862 40.800 0.050 0.000 1.200 34 D HN 0.424 nan 8.370 nan 0.000 0.429 35 I N 1.536 122.144 120.570 0.064 0.000 2.530 35 I HA 0.304 4.474 4.170 0.000 0.000 0.297 35 I C -1.040 175.164 176.117 0.146 0.000 1.011 35 I CA -1.148 60.202 61.300 0.084 0.000 1.107 35 I CB 1.573 39.592 38.000 0.032 0.000 1.285 35 I HN 0.219 nan 8.210 nan 0.000 0.436 36 Y N 6.617 126.921 120.300 0.007 0.000 2.361 36 Y HA 0.695 5.244 4.550 -0.000 0.000 0.337 36 Y C -1.257 174.645 175.900 0.004 0.000 0.965 36 Y CA -1.081 57.022 58.100 0.005 0.000 1.091 36 Y CB 1.667 40.132 38.460 0.007 0.000 1.182 36 Y HN 0.508 nan 8.280 nan 0.000 0.450 37 M N 5.116 124.368 119.600 -0.579 0.000 2.456 37 M HA 0.503 4.983 4.480 0.000 0.000 0.324 37 M C -1.090 174.829 176.300 -0.636 0.000 1.124 37 M CA -0.341 54.676 55.300 -0.472 0.000 0.959 37 M CB 2.162 34.631 32.600 -0.218 0.000 1.692 37 M HN 0.639 nan 8.290 nan 0.000 0.444 38 E N 1.049 121.000 120.200 -0.415 0.000 2.352 38 E HA 0.163 4.513 4.350 0.000 0.000 0.280 38 E C -1.470 175.047 176.600 -0.139 0.000 0.930 38 E CA -0.384 55.853 56.400 -0.272 0.000 0.765 38 E CB 1.797 31.346 29.700 -0.252 0.000 1.219 38 E HN 0.734 nan 8.360 nan 0.000 0.434 39 D N 1.462 121.811 120.400 -0.086 0.000 2.772 39 D HA -0.214 4.426 4.640 0.000 0.000 0.233 39 D C 0.775 177.045 176.300 -0.050 0.000 1.143 39 D CA 1.704 55.674 54.000 -0.051 0.000 0.700 39 D CB -1.384 39.394 40.800 -0.037 0.000 1.076 39 D HN 0.968 nan 8.370 nan 0.000 0.430 40 G N -1.463 107.302 108.800 -0.058 0.000 2.184 40 G HA2 -0.312 3.648 3.960 0.000 0.000 0.264 40 G HA3 -0.312 3.648 3.960 0.000 0.000 0.264 40 G C 0.243 175.110 174.900 -0.056 0.000 0.975 40 G CA 0.628 45.699 45.100 -0.048 0.000 0.642 40 G HN 0.510 nan 8.290 nan 0.000 0.536 41 L N 0.196 121.374 121.223 -0.075 0.000 2.341 41 L HA 0.647 4.987 4.340 0.000 0.000 0.267 41 L C 0.612 177.423 176.870 -0.098 0.000 1.009 41 L CA -1.411 53.385 54.840 -0.072 0.000 0.819 41 L CB 1.939 43.963 42.059 -0.058 0.000 1.323 41 L HN -0.023 nan 8.230 nan 0.000 0.425 42 I N 2.455 122.981 120.570 -0.073 0.000 2.396 42 I HA 0.101 4.271 4.170 0.000 0.000 0.289 42 I C 0.675 176.763 176.117 -0.048 0.000 1.056 42 I CA -0.151 61.108 61.300 -0.069 0.000 1.365 42 I CB 0.787 38.769 38.000 -0.031 0.000 1.407 42 I HN 0.632 nan 8.210 nan 0.000 0.509 43 K N 4.462 124.828 120.400 -0.057 0.000 2.240 43 K HA 0.254 4.575 4.320 0.000 0.000 0.202 43 K C 0.294 176.964 176.600 0.116 0.000 1.053 43 K CA 0.841 57.138 56.287 0.018 0.000 0.973 43 K CB 0.271 32.770 32.500 -0.003 0.000 0.924 43 K HN 0.572 nan 8.250 nan 0.000 0.477 44 Q N -0.099 119.818 119.800 0.195 0.000 2.397 44 Q HA 0.561 4.901 4.340 0.000 0.000 0.275 44 Q C -1.058 175.032 176.000 0.151 0.000 1.090 44 Q CA -0.447 55.463 55.803 0.179 0.000 0.809 44 Q CB 3.008 31.869 28.738 0.204 0.000 1.362 44 Q HN 0.001 nan 8.270 nan 0.000 0.431 45 I N 1.175 121.818 120.570 0.123 0.000 2.512 45 I HA 0.775 4.946 4.170 0.000 0.000 0.287 45 I C -0.006 176.192 176.117 0.135 0.000 1.069 45 I CA -0.502 60.879 61.300 0.135 0.000 1.056 45 I CB 1.991 40.087 38.000 0.160 0.000 1.229 45 I HN 0.817 nan 8.210 nan 0.000 0.429 46 G N 5.080 113.959 108.800 0.133 0.000 2.335 46 G HA2 0.236 4.196 3.960 0.000 0.000 0.291 46 G HA3 0.236 4.196 3.960 0.000 0.000 0.291 46 G C -1.801 173.163 174.900 0.107 0.000 1.261 46 G CA -0.474 44.702 45.100 0.127 0.000 0.871 46 G HN 0.368 nan 8.290 nan 0.000 0.491 47 E N 0.730 120.983 120.200 0.088 0.000 2.227 47 E HA 0.348 4.698 4.350 0.000 0.000 0.268 47 E C 0.192 176.813 176.600 0.036 0.000 0.990 47 E CA -0.686 55.753 56.400 0.065 0.000 0.856 47 E CB 1.027 30.768 29.700 0.068 0.000 1.159 47 E HN 0.564 nan 8.360 nan 0.000 0.401 48 N N 1.339 120.052 118.700 0.021 0.000 2.698 48 N HA -0.244 4.496 4.740 0.000 0.000 0.258 48 N C -0.461 175.042 175.510 -0.011 0.000 0.978 48 N CA 0.209 53.261 53.050 0.002 0.000 0.777 48 N CB -0.902 37.586 38.487 0.002 0.000 0.907 48 N HN 0.329 nan 8.380 nan 0.000 0.543 49 L N 1.187 122.400 121.223 -0.017 0.000 2.455 49 L HA 0.155 4.495 4.340 0.000 0.000 0.272 49 L C 1.114 177.926 176.870 -0.097 0.000 1.174 49 L CA 0.007 54.821 54.840 -0.045 0.000 0.869 49 L CB 0.505 42.542 42.059 -0.037 0.000 1.130 49 L HN 0.236 nan 8.230 nan 0.000 0.474 50 I N 5.162 125.668 120.570 -0.107 0.000 2.436 50 I HA 0.275 4.445 4.170 0.000 0.000 0.289 50 I C -0.295 175.689 176.117 -0.221 0.000 1.083 50 I CA 0.472 61.698 61.300 -0.122 0.000 1.372 50 I CB 0.651 38.603 38.000 -0.079 0.000 1.408 50 I HN 0.254 nan 8.210 nan 0.000 0.516 51 V N 8.250 128.036 119.914 -0.213 0.000 3.178 51 V HA 0.427 4.547 4.120 0.000 0.000 0.302 51 V C -2.050 173.956 176.094 -0.147 0.000 1.262 51 V CA -1.047 61.076 62.300 -0.294 0.000 1.030 51 V CB 2.167 33.742 31.823 -0.415 0.000 1.074 51 V HN 0.676 nan 8.190 nan 0.000 0.438 52 P HA 0.267 nan 4.420 nan 0.000 0.278 52 P C 0.644 177.925 177.300 -0.032 0.000 1.270 52 P CA 0.298 63.371 63.100 -0.044 0.000 0.800 52 P CB 0.419 32.113 31.700 -0.010 0.000 1.142 53 G N -1.522 107.269 108.800 -0.015 0.000 3.044 53 G HA2 0.172 4.133 3.960 0.000 0.000 0.223 53 G HA3 0.172 4.133 3.960 0.000 0.000 0.223 53 G C 1.195 176.095 174.900 0.001 0.000 1.123 53 G CA 0.411 45.506 45.100 -0.009 0.000 0.765 53 G HN 0.634 nan 8.290 nan 0.000 0.546 54 G N 0.413 109.217 108.800 0.006 0.000 2.777 54 G HA2 0.206 4.167 3.960 0.000 0.000 0.211 54 G HA3 0.206 4.167 3.960 0.000 0.000 0.211 54 G C 0.553 175.466 174.900 0.021 0.000 1.149 54 G CA 0.089 45.196 45.100 0.012 0.000 0.785 54 G HN 0.222 nan 8.290 nan 0.000 0.536 55 V N 1.232 121.165 119.914 0.032 0.000 2.599 55 V HA 0.058 4.179 4.120 0.000 0.000 0.300 55 V C 0.774 176.893 176.094 0.042 0.000 1.034 55 V CA -0.321 62.013 62.300 0.057 0.000 1.115 55 V CB 1.089 32.970 31.823 0.096 0.000 0.934 55 V HN 0.272 nan 8.190 nan 0.000 0.485 56 K N 3.658 124.081 120.400 0.038 0.000 2.378 56 K HA 0.172 4.492 4.320 0.000 0.000 0.288 56 K C -0.259 176.358 176.600 0.029 0.000 1.057 56 K CA -0.018 56.283 56.287 0.024 0.000 0.971 56 K CB 0.188 32.696 32.500 0.012 0.000 0.975 56 K HN 0.830 nan 8.250 nan 0.000 0.475 57 T N 5.717 120.282 114.554 0.020 0.000 2.779 57 T HA 0.361 4.712 4.350 0.000 0.000 0.280 57 T C 0.106 174.807 174.700 0.001 0.000 0.987 57 T CA -0.593 61.516 62.100 0.016 0.000 0.966 57 T CB 0.694 69.568 68.868 0.009 0.000 0.933 57 T HN 0.465 nan 8.240 nan 0.000 0.442 58 I N 3.490 124.059 120.570 -0.003 0.000 2.291 58 I HA 0.158 4.329 4.170 0.000 0.000 0.290 58 I C 0.403 176.485 176.117 -0.058 0.000 1.050 58 I CA -0.685 60.606 61.300 -0.016 0.000 1.245 58 I CB 0.738 38.736 38.000 -0.003 0.000 1.405 58 I HN 0.458 nan 8.210 nan 0.000 0.478 59 E N 5.955 126.093 120.200 -0.102 0.000 2.081 59 E HA 0.092 4.442 4.350 0.000 0.000 0.270 59 E C 0.802 177.194 176.600 -0.346 0.000 1.180 59 E CA -0.087 56.140 56.400 -0.289 0.000 0.926 59 E CB 1.272 30.744 29.700 -0.379 0.000 1.035 59 E HN 0.716 nan 8.360 nan 0.000 0.418 60 A N 2.759 125.441 122.820 -0.229 0.000 2.067 60 A HA -0.098 4.223 4.320 0.000 0.000 0.217 60 A C 0.353 177.935 177.584 -0.003 0.000 1.156 60 A CA 0.523 52.513 52.037 -0.078 0.000 0.683 60 A CB -0.511 18.473 19.000 -0.026 0.000 0.808 60 A HN 0.892 nan 8.150 nan 0.000 0.455 61 H N -1.289 117.800 119.070 0.033 0.000 2.756 61 H HA -0.144 4.412 4.556 0.001 0.000 0.315 61 H C 0.788 176.149 175.328 0.055 0.000 1.210 61 H CA 0.329 56.395 56.048 0.030 0.000 1.150 61 H CB -2.098 27.674 29.762 0.015 0.000 1.463 61 H HN 0.468 nan 8.280 nan 0.000 0.427 62 S N -1.887 113.909 115.700 0.161 0.000 3.380 62 S HA -0.275 4.196 4.470 0.000 0.000 0.300 62 S C 0.871 175.599 174.600 0.213 0.000 1.255 62 S CA 1.422 59.770 58.200 0.247 0.000 0.963 62 S CB -0.516 62.807 63.200 0.205 0.000 1.106 62 S HN 0.598 nan 8.310 nan 0.000 0.629 63 R N 0.123 120.703 120.500 0.134 0.000 2.532 63 R HA 0.521 4.861 4.340 0.000 0.000 0.272 63 R C 0.719 177.052 176.300 0.054 0.000 1.032 63 R CA -0.520 55.633 56.100 0.088 0.000 1.089 63 R CB 0.323 30.662 30.300 0.066 0.000 1.098 63 R HN 0.337 nan 8.270 nan 0.000 0.526 64 M N 1.692 121.322 119.600 0.051 0.000 2.284 64 M HA 0.029 4.509 4.480 0.000 0.000 0.351 64 M C -0.593 175.722 176.300 0.026 0.000 1.443 64 M CA 0.456 55.774 55.300 0.030 0.000 1.031 64 M CB 0.239 32.881 32.600 0.069 0.000 1.893 64 M HN 0.157 nan 8.290 nan 0.000 0.456 65 V N 6.213 126.110 119.914 -0.028 0.000 2.350 65 V HA 0.502 4.622 4.120 0.000 0.000 0.285 65 V C -0.060 176.011 176.094 -0.038 0.000 1.014 65 V CA -0.672 61.613 62.300 -0.026 0.000 0.831 65 V CB 0.841 32.630 31.823 -0.057 0.000 1.000 65 V HN 0.791 nan 8.190 nan 0.000 0.433 66 I N 3.130 123.697 120.570 -0.005 0.000 2.750 66 I HA 0.779 4.949 4.170 0.000 0.000 0.308 66 I C -2.680 173.431 176.117 -0.011 0.000 1.016 66 I CA -2.946 58.346 61.300 -0.014 0.000 1.098 66 I CB 2.183 40.166 38.000 -0.028 0.000 1.279 66 I HN 0.304 nan 8.210 nan 0.000 0.454 67 P HA 0.146 nan 4.420 nan 0.000 0.269 67 P C 0.074 177.361 177.300 -0.022 0.000 1.209 67 P CA 0.033 63.125 63.100 -0.013 0.000 0.776 67 P CB 0.421 32.118 31.700 -0.006 0.000 0.876 68 G N 1.775 110.569 108.800 -0.009 0.000 2.554 68 G HA2 0.382 4.343 3.960 0.000 0.000 0.238 68 G HA3 0.382 4.343 3.960 0.000 0.000 0.238 68 G C 0.474 175.358 174.900 -0.027 0.000 1.259 68 G CA -0.151 44.947 45.100 -0.003 0.000 0.843 68 G HN 0.607 nan 8.290 nan 0.000 0.582 69 G N -0.602 108.179 108.800 -0.031 0.000 2.544 69 G HA2 0.417 4.378 3.960 0.000 0.000 0.242 69 G HA3 0.417 4.378 3.960 0.000 0.000 0.242 69 G C -0.171 174.716 174.900 -0.021 0.000 1.247 69 G CA -0.524 44.541 45.100 -0.058 0.000 0.840 69 G HN 0.636 nan 8.290 nan 0.000 0.578 70 I N 1.208 121.764 120.570 -0.024 0.000 2.382 70 I HA 0.132 4.303 4.170 0.000 0.000 0.285 70 I C -0.709 175.427 176.117 0.032 0.000 1.007 70 I CA -0.712 60.593 61.300 0.008 0.000 1.142 70 I CB 1.910 39.917 38.000 0.011 0.000 1.289 70 I HN 0.296 nan 8.210 nan 0.000 0.453 71 D N 6.339 126.769 120.400 0.051 0.000 2.402 71 D HA 0.075 4.716 4.640 0.000 0.000 0.235 71 D C 1.208 177.565 176.300 0.095 0.000 1.226 71 D CA -0.170 53.879 54.000 0.082 0.000 0.918 71 D CB 1.403 42.254 40.800 0.086 0.000 1.043 71 D HN 0.430 nan 8.370 nan 0.000 0.506 72 V N 1.885 121.886 119.914 0.145 0.000 3.241 72 V HA -0.014 4.106 4.120 0.000 0.000 0.269 72 V C 0.642 176.899 176.094 0.273 0.000 1.151 72 V CA 0.872 63.277 62.300 0.175 0.000 1.158 72 V CB -1.000 31.017 31.823 0.324 0.000 0.764 72 V HN 0.607 nan 8.190 nan 0.000 0.508 73 H N 0.617 119.781 119.070 0.157 0.000 3.108 73 H HA 0.539 5.095 4.556 0.000 0.000 0.301 73 H C -0.610 174.763 175.328 0.075 0.000 1.139 73 H CA 0.135 56.300 56.048 0.196 0.000 1.552 73 H CB 0.817 30.698 29.762 0.198 0.000 1.663 73 H HN 0.510 nan 8.280 nan 0.000 0.517 74 T N 1.722 116.425 114.554 0.248 0.000 2.893 74 T HA 0.487 4.837 4.350 0.000 0.000 0.291 74 T C 0.093 174.762 174.700 -0.052 0.000 1.028 74 T CA -1.207 60.791 62.100 -0.171 0.000 0.995 74 T CB 2.221 70.558 68.868 -0.885 0.000 1.051 74 T HN 0.606 nan 8.240 nan 0.000 0.470 75 R N 1.450 121.852 120.500 -0.162 0.000 2.835 75 R HA 0.288 4.628 4.340 0.000 0.000 0.290 75 R C -0.999 175.271 176.300 -0.050 0.000 1.410 75 R CA -0.559 55.558 56.100 0.028 0.000 1.590 75 R CB 0.096 30.499 30.300 0.171 0.000 1.288 75 R HN 0.457 nan 8.270 nan 0.000 0.637 76 F N 2.348 122.174 119.950 -0.206 0.000 2.471 76 F HA -0.009 4.519 4.527 0.000 0.000 0.353 76 F C 1.453 176.941 175.800 -0.519 0.000 1.113 76 F CA -0.657 57.037 58.000 -0.510 0.000 1.262 76 F CB 0.439 38.837 39.000 -1.004 0.000 1.146 76 F HN 0.361 nan 8.300 nan 0.000 0.578 77 Q N 1.319 120.993 119.800 -0.210 0.000 2.406 77 Q HA -0.297 4.043 4.340 0.000 0.000 0.339 77 Q C -0.571 175.292 176.000 -0.228 0.000 1.337 77 Q CA 0.398 56.019 55.803 -0.304 0.000 0.985 77 Q CB -1.527 26.932 28.738 -0.465 0.000 1.216 77 Q HN 0.753 nan 8.270 nan 0.000 0.415 78 M N 1.362 120.949 119.600 -0.021 0.000 2.200 78 M HA 0.280 4.760 4.480 0.000 0.000 0.355 78 M C -2.134 174.279 176.300 0.189 0.000 1.283 78 M CA -1.716 53.714 55.300 0.216 0.000 1.124 78 M CB 0.776 33.558 32.600 0.304 0.000 1.625 78 M HN 0.075 nan 8.290 nan 0.000 0.463 79 P HA 0.178 nan 4.420 nan 0.000 0.271 79 P C -1.678 175.780 177.300 0.263 0.000 1.220 79 P CA 0.155 63.395 63.100 0.233 0.000 0.768 79 P CB 0.560 32.435 31.700 0.292 0.000 0.848 80 D N 1.030 121.558 120.400 0.214 0.000 2.886 80 D HA 0.086 4.726 4.640 0.000 0.000 0.216 80 D C -0.688 175.638 176.300 0.043 0.000 1.256 80 D CA -0.394 53.679 54.000 0.122 0.000 0.844 80 D CB 0.936 41.802 40.800 0.111 0.000 1.669 80 D HN 0.259 nan 8.370 nan 0.000 0.513 81 Q N 2.263 122.054 119.800 -0.016 0.000 2.372 81 Q HA -0.228 4.112 4.340 0.000 0.000 0.333 81 Q C 0.857 176.859 176.000 0.003 0.000 1.285 81 Q CA 1.091 56.875 55.803 -0.032 0.000 0.983 81 Q CB -1.505 27.189 28.738 -0.073 0.000 1.229 81 Q HN 1.012 nan 8.270 nan 0.000 0.442 82 G N -1.091 107.728 108.800 0.032 0.000 2.168 82 G HA2 -0.327 3.634 3.960 0.000 0.000 0.257 82 G HA3 -0.327 3.634 3.960 0.000 0.000 0.257 82 G C 0.096 175.030 174.900 0.056 0.000 0.997 82 G CA 0.905 46.030 45.100 0.042 0.000 0.708 82 G HN 0.403 nan 8.290 nan 0.000 0.520 83 M N -1.333 118.319 119.600 0.087 0.000 2.788 83 M HA 0.736 5.216 4.480 0.000 0.000 0.291 83 M C -0.220 176.180 176.300 0.167 0.000 1.213 83 M CA -0.636 54.743 55.300 0.132 0.000 0.768 83 M CB 2.430 35.138 32.600 0.179 0.000 1.766 83 M HN 0.037 nan 8.290 nan 0.000 0.460 84 T N 0.121 114.778 114.554 0.171 0.000 3.193 84 T HA 0.186 4.537 4.350 0.000 0.000 0.332 84 T C -1.047 173.574 174.700 -0.131 0.000 1.208 84 T CA -0.574 61.547 62.100 0.034 0.000 1.080 84 T CB 1.768 70.587 68.868 -0.082 0.000 1.180 84 T HN 0.690 nan 8.240 nan 0.000 0.469 85 S N 1.874 117.355 115.700 -0.366 0.000 2.552 85 S HA 0.277 4.748 4.470 0.000 0.000 0.289 85 S C 1.697 176.034 174.600 -0.439 0.000 1.304 85 S CA 0.172 57.899 58.200 -0.789 0.000 1.063 85 S CB 0.277 63.096 63.200 -0.635 0.000 0.848 85 S HN 0.870 nan 8.310 nan 0.000 0.499 86 A N 4.152 126.721 122.820 -0.419 0.000 2.019 86 A HA 0.010 4.330 4.320 0.000 0.000 0.219 86 A C 0.598 178.080 177.584 -0.170 0.000 1.164 86 A CA 1.065 52.975 52.037 -0.212 0.000 0.644 86 A CB -0.267 18.645 19.000 -0.146 0.000 0.805 86 A HN 0.829 nan 8.150 nan 0.000 0.449 87 D N 0.831 121.125 120.400 -0.178 0.000 2.329 87 D HA 0.372 5.013 4.640 0.000 0.000 0.232 87 D C -0.602 175.576 176.300 -0.203 0.000 1.088 87 D CA -0.329 53.581 54.000 -0.150 0.000 0.835 87 D CB 1.258 42.029 40.800 -0.047 0.000 1.078 87 D HN 0.504 nan 8.370 nan 0.000 0.495 88 D N 0.110 120.380 120.400 -0.217 0.000 2.451 88 D HA 0.065 4.705 4.640 0.000 0.000 0.259 88 D C 0.992 177.112 176.300 -0.300 0.000 1.201 88 D CA -0.560 53.310 54.000 -0.218 0.000 1.028 88 D CB 0.379 41.098 40.800 -0.135 0.000 1.095 88 D HN 0.083 nan 8.370 nan 0.000 0.539 89 F N -1.162 118.703 119.950 -0.143 0.000 2.250 89 F HA -0.055 4.472 4.527 0.000 0.000 0.301 89 F C 1.884 177.556 175.800 -0.214 0.000 1.077 89 F CA 0.982 58.901 58.000 -0.136 0.000 1.348 89 F CB -0.420 38.561 39.000 -0.032 0.000 1.040 89 F HN 0.381 nan 8.300 nan 0.000 0.509 90 F N 0.505 120.392 119.950 -0.106 0.000 2.094 90 F HA -0.117 4.410 4.527 0.001 0.000 0.291 90 F C 2.570 178.234 175.800 -0.227 0.000 1.109 90 F CA 1.288 59.208 58.000 -0.132 0.000 1.221 90 F CB -0.773 38.173 39.000 -0.089 0.000 1.014 90 F HN -0.180 nan 8.300 nan 0.000 0.473 91 Q N 0.807 120.459 119.800 -0.246 0.000 2.096 91 Q HA -0.059 4.281 4.340 0.000 0.000 0.204 91 Q C 2.282 177.938 176.000 -0.574 0.000 0.982 91 Q CA 2.136 57.715 55.803 -0.374 0.000 0.850 91 Q CB -1.191 27.461 28.738 -0.143 0.000 0.901 91 Q HN 0.520 nan 8.270 nan 0.000 0.422 92 G N -1.313 106.982 108.800 -0.842 0.000 2.403 92 G HA2 -0.199 3.761 3.960 0.000 0.000 0.216 92 G HA3 -0.199 3.761 3.960 0.000 0.000 0.216 92 G C 1.444 175.702 174.900 -1.070 0.000 1.154 92 G CA 1.273 45.573 45.100 -1.334 0.000 0.784 92 G HN 0.558 nan 8.290 nan 0.000 0.538 93 T N -0.853 113.200 114.554 -0.835 0.000 2.896 93 T HA 0.034 4.384 4.350 0.000 0.000 0.263 93 T C 2.117 176.618 174.700 -0.332 0.000 1.050 93 T CA 1.459 63.341 62.100 -0.364 0.000 1.140 93 T CB -0.119 68.645 68.868 -0.173 0.000 0.877 93 T HN 0.331 nan 8.240 nan 0.000 0.457 94 K N 1.633 121.731 120.400 -0.503 0.000 2.032 94 K HA -0.036 4.284 4.320 0.000 0.000 0.209 94 K C 2.587 179.009 176.600 -0.296 0.000 1.048 94 K CA 1.378 57.395 56.287 -0.450 0.000 0.927 94 K CB -0.657 31.426 32.500 -0.695 0.000 0.712 94 K HN 0.406 nan 8.250 nan 0.000 0.441 95 A N 0.806 123.434 122.820 -0.320 0.000 1.933 95 A HA -0.078 4.242 4.320 0.000 0.000 0.218 95 A C 2.276 179.769 177.584 -0.150 0.000 1.175 95 A CA 1.773 53.676 52.037 -0.223 0.000 0.628 95 A CB -0.723 18.110 19.000 -0.278 0.000 0.814 95 A HN 0.506 nan 8.150 nan 0.000 0.444 96 A N 0.074 122.805 122.820 -0.149 0.000 1.845 96 A HA -0.061 4.260 4.320 0.000 0.000 0.215 96 A C 2.152 179.725 177.584 -0.018 0.000 1.195 96 A CA 1.503 53.517 52.037 -0.038 0.000 0.616 96 A CB -0.796 18.225 19.000 0.036 0.000 0.832 96 A HN 0.461 nan 8.150 nan 0.000 0.443 97 L N -0.542 120.656 121.223 -0.042 0.000 2.021 97 L HA -0.304 4.037 4.340 0.000 0.000 0.215 97 L C 3.109 179.970 176.870 -0.016 0.000 1.074 97 L CA 1.339 56.166 54.840 -0.023 0.000 0.760 97 L CB -0.763 41.267 42.059 -0.047 0.000 0.889 97 L HN 0.470 nan 8.230 nan 0.000 0.433 98 A N 0.285 123.077 122.820 -0.048 0.000 1.940 98 A HA -0.236 4.085 4.320 0.000 0.000 0.221 98 A C 2.222 179.809 177.584 0.005 0.000 1.190 98 A CA 2.181 54.196 52.037 -0.037 0.000 0.647 98 A CB -1.248 17.720 19.000 -0.053 0.000 0.821 98 A HN 0.517 nan 8.150 nan 0.000 0.457 99 G N -2.918 105.899 108.800 0.028 0.000 3.042 99 G HA2 0.392 4.352 3.960 0.000 0.000 0.212 99 G HA3 0.392 4.352 3.960 0.000 0.000 0.212 99 G C 1.100 176.099 174.900 0.165 0.000 1.166 99 G CA 0.667 45.819 45.100 0.087 0.000 0.767 99 G HN 1.724 nan 8.290 nan 0.000 0.546 100 G N -0.982 107.900 108.800 0.137 0.000 2.176 100 G HA2 -0.235 3.725 3.960 0.000 0.000 0.232 100 G HA3 -0.235 3.725 3.960 0.000 0.000 0.232 100 G C 0.292 175.248 174.900 0.094 0.000 0.986 100 G CA 0.226 45.429 45.100 0.173 0.000 0.643 100 G HN 0.519 nan 8.290 nan 0.000 0.522 101 T N 1.709 116.304 114.554 0.068 0.000 2.743 101 T HA 0.509 4.860 4.350 0.000 0.000 0.293 101 T C 1.275 176.000 174.700 0.042 0.000 0.945 101 T CA 0.648 62.775 62.100 0.046 0.000 1.030 101 T CB 1.234 70.134 68.868 0.054 0.000 0.912 101 T HN 0.640 nan 8.240 nan 0.000 0.483 102 T N 0.764 115.338 114.554 0.034 0.000 3.085 102 T HA 0.475 4.825 4.350 0.000 0.000 0.264 102 T C 0.155 174.879 174.700 0.041 0.000 1.019 102 T CA -0.436 61.685 62.100 0.034 0.000 0.910 102 T CB 0.030 68.912 68.868 0.024 0.000 1.059 102 T HN 0.519 nan 8.240 nan 0.000 0.542 103 M N 1.843 121.470 119.600 0.046 0.000 2.365 103 M HA 0.592 5.073 4.480 0.000 0.000 0.287 103 M C -2.232 174.111 176.300 0.072 0.000 1.154 103 M CA -1.269 54.064 55.300 0.055 0.000 0.941 103 M CB 2.303 34.909 32.600 0.010 0.000 1.704 103 M HN 0.269 nan 8.290 nan 0.000 0.479 104 I N 2.443 123.086 120.570 0.121 0.000 2.569 104 I HA 0.650 4.821 4.170 0.000 0.000 0.296 104 I C -1.423 174.736 176.117 0.070 0.000 1.028 104 I CA -0.557 60.817 61.300 0.125 0.000 1.082 104 I CB 1.798 39.943 38.000 0.242 0.000 1.264 104 I HN 0.586 nan 8.210 nan 0.000 0.429 105 I N 4.494 125.041 120.570 -0.037 0.000 2.382 105 I HA 0.402 4.573 4.170 0.000 0.000 0.286 105 I C -0.505 175.522 176.117 -0.151 0.000 1.002 105 I CA -0.359 60.800 61.300 -0.236 0.000 1.135 105 I CB 1.228 38.880 38.000 -0.580 0.000 1.288 105 I HN 0.712 nan 8.210 nan 0.000 0.448 106 D N 4.539 124.919 120.400 -0.033 0.000 2.487 106 D HA 0.355 4.995 4.640 0.000 0.000 0.262 106 D C -0.711 175.550 176.300 -0.064 0.000 1.130 106 D CA -0.343 53.730 54.000 0.122 0.000 1.038 106 D CB 1.533 42.626 40.800 0.487 0.000 1.142 106 D HN 0.466 nan 8.370 nan 0.000 0.575 107 H N 0.468 119.589 119.070 0.085 0.000 2.638 107 H HA 0.255 4.812 4.556 0.001 0.000 0.317 107 H C -0.514 174.531 175.328 -0.471 0.000 1.006 107 H CA -0.557 55.438 56.048 -0.088 0.000 1.222 107 H CB 1.395 31.135 29.762 -0.036 0.000 1.419 107 H HN 0.036 nan 8.280 nan 0.000 0.489 108 V N 4.566 124.120 119.914 -0.601 0.000 2.585 108 V HA -0.017 4.103 4.120 0.000 0.000 0.296 108 V C 0.562 176.169 176.094 -0.812 0.000 1.035 108 V CA -0.122 61.462 62.300 -1.193 0.000 1.084 108 V CB 1.002 32.529 31.823 -0.494 0.000 0.953 108 V HN 0.456 nan 8.190 nan 0.000 0.483 109 V N 7.266 126.534 119.914 -1.077 0.000 2.276 109 V HA 0.282 4.403 4.120 0.000 0.000 0.268 109 V C -2.129 173.944 176.094 -0.035 0.000 1.032 109 V CA -1.523 60.595 62.300 -0.304 0.000 0.810 109 V CB 1.139 32.950 31.823 -0.019 0.000 1.060 109 V HN 0.776 nan 8.190 nan 0.000 0.446 110 P HA 0.147 nan 4.420 nan 0.000 0.267 110 P C -0.152 177.263 177.300 0.190 0.000 1.209 110 P CA 0.032 63.207 63.100 0.125 0.000 0.763 110 P CB 1.053 32.811 31.700 0.097 0.000 0.816 111 E N 5.722 126.057 120.200 0.225 0.000 2.415 111 E HA 0.115 4.465 4.350 0.000 0.000 0.263 111 E C -2.126 174.584 176.600 0.184 0.000 0.995 111 E CA -2.040 54.491 56.400 0.218 0.000 0.915 111 E CB -0.528 29.284 29.700 0.186 0.000 0.951 111 E HN 0.304 nan 8.360 nan 0.000 0.449 112 P HA 0.051 nan 4.420 nan 0.000 0.261 112 P C 0.343 177.723 177.300 0.133 0.000 1.183 112 P CA 1.295 64.495 63.100 0.166 0.000 0.761 112 P CB 0.580 32.368 31.700 0.147 0.000 0.785 113 G N 1.580 110.466 108.800 0.144 0.000 2.176 113 G HA2 -0.173 3.787 3.960 0.000 0.000 0.232 113 G HA3 -0.173 3.787 3.960 0.000 0.000 0.232 113 G C 0.180 175.144 174.900 0.107 0.000 0.986 113 G CA 0.205 45.375 45.100 0.117 0.000 0.643 113 G HN 0.853 nan 8.290 nan 0.000 0.522 114 T N -1.215 113.412 114.554 0.120 0.000 2.908 114 T HA 0.738 5.088 4.350 0.000 0.000 0.290 114 T C 0.346 175.110 174.700 0.107 0.000 1.034 114 T CA 0.627 62.791 62.100 0.107 0.000 1.010 114 T CB 1.913 70.852 68.868 0.118 0.000 1.068 114 T HN 1.588 nan 8.240 nan 0.000 0.481 115 S N 3.062 118.814 115.700 0.087 0.000 2.576 115 S HA 0.234 4.704 4.470 0.000 0.000 0.276 115 S C 1.534 176.179 174.600 0.075 0.000 1.339 115 S CA -0.925 57.320 58.200 0.075 0.000 1.039 115 S CB -0.083 63.148 63.200 0.052 0.000 0.902 115 S HN 0.706 nan 8.310 nan 0.000 0.516 116 L N 2.613 123.875 121.223 0.065 0.000 2.079 116 L HA -0.152 4.188 4.340 0.000 0.000 0.210 116 L C 2.287 179.188 176.870 0.053 0.000 1.081 116 L CA 1.426 56.306 54.840 0.067 0.000 0.752 116 L CB -0.817 41.281 42.059 0.065 0.000 0.896 116 L HN 0.723 nan 8.230 nan 0.000 0.433 117 L N -0.492 120.735 121.223 0.005 0.000 2.109 117 L HA -0.100 4.240 4.340 0.000 0.000 0.207 117 L C 2.903 179.786 176.870 0.022 0.000 1.086 117 L CA 0.901 55.706 54.840 -0.058 0.000 0.760 117 L CB -0.660 41.334 42.059 -0.109 0.000 0.910 117 L HN 0.192 nan 8.230 nan 0.000 0.437 118 A N 0.281 123.123 122.820 0.037 0.000 1.902 118 A HA -0.172 4.149 4.320 0.000 0.000 0.217 118 A C 2.534 180.157 177.584 0.065 0.000 1.181 118 A CA 1.737 53.798 52.037 0.040 0.000 0.623 118 A CB -0.726 18.298 19.000 0.040 0.000 0.818 118 A HN 0.377 nan 8.150 nan 0.000 0.443 119 A N -1.437 121.457 122.820 0.123 0.000 1.972 119 A HA -0.043 4.278 4.320 0.000 0.000 0.219 119 A C 2.027 179.762 177.584 0.251 0.000 1.169 119 A CA 1.558 53.728 52.037 0.222 0.000 0.635 119 A CB -0.669 18.454 19.000 0.204 0.000 0.810 119 A HN 0.667 nan 8.150 nan 0.000 0.446 120 F N 1.259 121.212 119.950 0.006 0.000 2.113 120 F HA -0.158 4.370 4.527 0.000 0.000 0.297 120 F C 1.751 177.524 175.800 -0.045 0.000 1.103 120 F CA 2.006 59.984 58.000 -0.035 0.000 1.248 120 F CB -0.156 38.752 39.000 -0.153 0.000 0.999 120 F HN 0.229 nan 8.300 nan 0.000 0.475 121 D N 0.004 120.436 120.400 0.052 0.000 2.133 121 D HA -0.204 4.436 4.640 0.000 0.000 0.195 121 D C 2.225 178.397 176.300 -0.214 0.000 0.997 121 D CA 1.123 55.078 54.000 -0.076 0.000 0.840 121 D CB -0.457 40.324 40.800 -0.032 0.000 0.947 121 D HN 0.385 nan 8.370 nan 0.000 0.452 122 Q N -0.639 119.013 119.800 -0.247 0.000 1.990 122 Q HA -0.104 4.236 4.340 0.000 0.000 0.200 122 Q C 2.382 177.889 176.000 -0.823 0.000 0.980 122 Q CA 0.823 56.248 55.803 -0.630 0.000 0.832 122 Q CB -0.422 27.885 28.738 -0.719 0.000 0.897 122 Q HN 0.498 nan 8.270 nan 0.000 0.427 123 W N 1.108 122.067 121.300 -0.568 0.000 2.325 123 W HA -0.218 4.443 4.660 0.001 0.000 0.299 123 W C 2.074 178.389 176.519 -0.340 0.000 1.215 123 W CA 0.912 58.126 57.345 -0.218 0.000 1.244 123 W CB -0.104 29.346 29.460 -0.017 0.000 1.140 123 W HN 0.228 nan 8.180 nan 0.000 0.523 124 R N 0.314 120.664 120.500 -0.250 0.000 2.075 124 R HA -0.156 4.184 4.340 0.000 0.000 0.232 124 R C 1.953 178.118 176.300 -0.225 0.000 1.126 124 R CA 1.601 57.528 56.100 -0.288 0.000 0.963 124 R CB -1.102 28.933 30.300 -0.442 0.000 0.858 124 R HN 0.405 nan 8.270 nan 0.000 0.435 125 E N -0.237 119.803 120.200 -0.268 0.000 2.038 125 E HA -0.211 4.140 4.350 0.000 0.000 0.195 125 E C 1.628 178.153 176.600 -0.125 0.000 1.000 125 E CA 1.111 57.384 56.400 -0.210 0.000 0.803 125 E CB -0.154 29.375 29.700 -0.285 0.000 0.750 125 E HN 0.244 nan 8.360 nan 0.000 0.448 126 W N 0.491 121.642 121.300 -0.250 0.000 2.332 126 W HA -0.092 4.568 4.660 0.000 0.000 0.321 126 W C 2.611 178.888 176.519 -0.403 0.000 1.219 126 W CA 1.369 58.552 57.345 -0.270 0.000 1.277 126 W CB -1.274 28.020 29.460 -0.277 0.000 1.161 126 W HN 0.298 nan 8.180 nan 0.000 0.476 127 A N -0.218 122.261 122.820 -0.569 0.000 1.970 127 A HA -0.128 4.192 4.320 0.000 0.000 0.216 127 A C 1.699 178.951 177.584 -0.554 0.000 1.170 127 A CA 1.694 53.103 52.037 -1.045 0.000 0.645 127 A CB -0.698 17.041 19.000 -2.101 0.000 0.816 127 A HN 0.089 nan 8.150 nan 0.000 0.447 128 D N 0.166 120.396 120.400 -0.282 0.000 2.218 128 D HA -0.119 4.521 4.640 0.000 0.000 0.204 128 D C 2.357 178.637 176.300 -0.035 0.000 0.976 128 D CA 1.706 55.671 54.000 -0.059 0.000 0.853 128 D CB -0.055 40.741 40.800 -0.006 0.000 0.939 128 D HN 0.599 nan 8.370 nan 0.000 0.481 129 S N -0.930 114.742 115.700 -0.047 0.000 2.456 129 S HA 0.089 4.559 4.470 0.000 0.000 0.224 129 S C 1.712 176.319 174.600 0.012 0.000 1.035 129 S CA 0.259 58.455 58.200 -0.007 0.000 0.940 129 S CB 0.340 63.545 63.200 0.008 0.000 0.799 129 S HN 0.064 nan 8.310 nan 0.000 0.508 130 K N 0.989 121.401 120.400 0.019 0.000 2.329 130 K HA 0.286 4.606 4.320 0.000 0.000 0.198 130 K C 0.653 177.348 176.600 0.158 0.000 1.085 130 K CA 0.230 56.582 56.287 0.109 0.000 0.961 130 K CB 0.229 32.821 32.500 0.153 0.000 0.971 130 K HN 0.287 nan 8.250 nan 0.000 0.502 131 S N 0.743 116.469 115.700 0.044 0.000 2.575 131 S HA -0.077 4.394 4.470 0.000 0.000 0.295 131 S C 1.077 175.719 174.600 0.070 0.000 1.267 131 S CA -0.416 57.809 58.200 0.041 0.000 1.074 131 S CB 0.264 63.389 63.200 -0.124 0.000 0.829 131 S HN 0.323 nan 8.310 nan 0.000 0.497 132 C N 4.521 123.841 119.300 0.034 0.000 2.539 132 C HA 0.247 4.707 4.460 0.000 0.000 0.268 132 C C 1.269 176.282 174.990 0.039 0.000 1.395 132 C CA -0.373 58.658 59.018 0.022 0.000 1.757 132 C CB -2.195 25.482 27.740 -0.105 0.000 1.851 132 C HN 0.958 nan 8.230 nan 0.000 0.545 133 C N -1.497 117.844 119.300 0.067 0.000 3.154 133 C HA 0.606 5.066 4.460 0.000 0.000 0.312 133 C C -0.917 174.167 174.990 0.156 0.000 1.349 133 C CA -1.071 57.999 59.018 0.088 0.000 1.518 133 C CB 0.317 28.099 27.740 0.071 0.000 1.934 133 C HN 0.244 nan 8.230 nan 0.000 0.462 134 D N 1.075 121.550 120.400 0.126 0.000 2.419 134 D HA 0.442 5.082 4.640 0.000 0.000 0.236 134 D C -0.431 175.993 176.300 0.207 0.000 1.165 134 D CA 1.078 55.159 54.000 0.135 0.000 0.882 134 D CB 0.363 41.178 40.800 0.025 0.000 1.201 134 D HN 0.824 nan 8.370 nan 0.000 0.443 135 Y N -1.834 118.444 120.300 -0.036 0.000 2.638 135 Y HA 0.623 5.173 4.550 0.001 0.000 0.335 135 Y C -1.108 174.682 175.900 -0.182 0.000 1.155 135 Y CA -0.993 57.084 58.100 -0.038 0.000 1.046 135 Y CB 1.007 39.520 38.460 0.089 0.000 1.303 135 Y HN 0.242 nan 8.280 nan 0.000 0.460 136 S N 0.680 116.171 115.700 -0.348 0.000 2.705 136 S HA 0.841 5.311 4.470 0.000 0.000 0.280 136 S C -2.147 172.305 174.600 -0.247 0.000 1.174 136 S CA -0.886 56.973 58.200 -0.568 0.000 0.823 136 S CB 1.302 64.149 63.200 -0.589 0.000 1.162 136 S HN 0.746 nan 8.310 nan 0.000 0.487 137 L N 3.078 124.163 121.223 -0.229 0.000 2.439 137 L HA 0.518 4.858 4.340 0.000 0.000 0.270 137 L C -0.733 175.899 176.870 -0.397 0.000 0.972 137 L CA -0.824 53.899 54.840 -0.195 0.000 0.836 137 L CB 1.767 43.867 42.059 0.070 0.000 1.255 137 L HN 0.698 nan 8.230 nan 0.000 0.404 138 H N 2.350 121.147 119.070 -0.455 0.000 2.551 138 H HA 0.403 4.959 4.556 0.000 0.000 0.358 138 H C -0.555 174.542 175.328 -0.386 0.000 1.151 138 H CA -0.467 55.249 56.048 -0.552 0.000 1.374 138 H CB 2.322 31.566 29.762 -0.862 0.000 1.473 138 H HN 0.170 nan 8.280 nan 0.000 0.574 139 V N 3.243 123.024 119.914 -0.222 0.000 2.378 139 V HA 0.055 4.175 4.120 0.000 0.000 0.288 139 V C -0.144 175.984 176.094 0.057 0.000 1.016 139 V CA -0.841 61.416 62.300 -0.072 0.000 0.840 139 V CB 1.416 33.252 31.823 0.021 0.000 0.994 139 V HN 0.677 nan 8.190 nan 0.000 0.431 140 D N 4.014 124.432 120.400 0.029 0.000 2.341 140 D HA 0.498 5.138 4.640 0.000 0.000 0.245 140 D C -0.192 176.150 176.300 0.071 0.000 1.106 140 D CA 0.162 54.190 54.000 0.047 0.000 0.905 140 D CB 1.372 42.187 40.800 0.024 0.000 1.202 140 D HN 0.349 nan 8.370 nan 0.000 0.426 141 I N 0.961 121.588 120.570 0.096 0.000 2.406 141 I HA 0.114 4.285 4.170 0.000 0.000 0.290 141 I C 0.884 177.076 176.117 0.126 0.000 0.999 141 I CA -0.351 61.017 61.300 0.114 0.000 1.124 141 I CB 1.837 39.905 38.000 0.113 0.000 1.289 141 I HN 0.358 nan 8.210 nan 0.000 0.441 142 S N 3.520 119.299 115.700 0.131 0.000 2.506 142 S HA 0.237 4.707 4.470 0.000 0.000 0.219 142 S C 0.226 174.996 174.600 0.282 0.000 1.031 142 S CA -0.242 58.100 58.200 0.237 0.000 0.911 142 S CB 0.204 63.588 63.200 0.307 0.000 0.812 142 S HN 0.773 nan 8.310 nan 0.000 0.497 143 E N -0.826 119.498 120.200 0.206 0.000 2.423 143 E HA 0.366 4.716 4.350 0.000 0.000 0.280 143 E C -1.922 174.788 176.600 0.183 0.000 1.030 143 E CA -1.134 55.384 56.400 0.198 0.000 0.812 143 E CB 0.667 30.470 29.700 0.172 0.000 1.313 143 E HN 0.367 nan 8.360 nan 0.000 0.456 144 W N 3.043 124.309 121.300 -0.057 0.000 2.499 144 W HA 0.364 5.024 4.660 0.000 0.000 0.320 144 W C -1.667 174.819 176.519 -0.054 0.000 1.010 144 W CA -0.308 56.971 57.345 -0.108 0.000 1.267 144 W CB 1.359 30.813 29.460 -0.009 0.000 1.316 144 W HN 0.946 nan 8.180 nan 0.000 0.431 145 H N 2.160 120.867 119.070 -0.606 0.000 2.918 145 H HA 0.367 4.924 4.556 0.001 0.000 0.303 145 H C 0.698 175.579 175.328 -0.745 0.000 1.380 145 H CA -0.860 54.805 56.048 -0.638 0.000 1.134 145 H CB 0.650 30.251 29.762 -0.268 0.000 1.842 145 H HN 0.105 nan 8.280 nan 0.000 0.533 146 K N 0.242 120.484 120.400 -0.263 0.000 2.209 146 K HA -0.063 4.258 4.320 0.000 0.000 0.204 146 K C 1.857 178.376 176.600 -0.136 0.000 1.048 146 K CA 1.286 57.418 56.287 -0.258 0.000 0.940 146 K CB -0.943 31.473 32.500 -0.141 0.000 0.729 146 K HN 0.756 nan 8.250 nan 0.000 0.451 147 G N 2.369 111.218 108.800 0.081 0.000 2.442 147 G HA2 -0.191 3.769 3.960 0.000 0.000 0.219 147 G HA3 -0.191 3.769 3.960 0.000 0.000 0.219 147 G C 1.528 176.424 174.900 -0.007 0.000 1.141 147 G CA 0.540 45.699 45.100 0.097 0.000 0.763 147 G HN 0.146 nan 8.290 nan 0.000 0.554 148 I N 0.693 121.165 120.570 -0.163 0.000 2.252 148 I HA -0.135 4.035 4.170 0.000 0.000 0.245 148 I C 2.626 178.702 176.117 -0.070 0.000 1.102 148 I CA 0.995 62.202 61.300 -0.156 0.000 1.385 148 I CB -1.331 36.544 38.000 -0.208 0.000 1.064 148 I HN 0.330 nan 8.210 nan 0.000 0.414 149 Q N 1.032 120.752 119.800 -0.134 0.000 2.030 149 Q HA -0.280 4.060 4.340 0.000 0.000 0.204 149 Q C 2.246 178.231 176.000 -0.025 0.000 0.986 149 Q CA 2.247 58.050 55.803 0.000 0.000 0.843 149 Q CB -0.143 28.596 28.738 0.002 0.000 0.904 149 Q HN 0.513 nan 8.270 nan 0.000 0.420 150 E N -0.182 119.997 120.200 -0.035 0.000 2.160 150 E HA -0.230 4.120 4.350 0.000 0.000 0.195 150 E C 1.771 178.365 176.600 -0.010 0.000 0.991 150 E CA 1.184 57.574 56.400 -0.017 0.000 0.810 150 E CB 0.093 29.783 29.700 -0.016 0.000 0.742 150 E HN 0.422 nan 8.360 nan 0.000 0.466 151 E N -0.175 120.016 120.200 -0.015 0.000 2.072 151 E HA -0.174 4.176 4.350 0.000 0.000 0.191 151 E C 2.172 178.767 176.600 -0.009 0.000 0.985 151 E CA 1.133 57.529 56.400 -0.007 0.000 0.801 151 E CB -0.063 29.637 29.700 -0.001 0.000 0.750 151 E HN 0.394 nan 8.360 nan 0.000 0.452 152 M N 0.574 120.136 119.600 -0.063 0.000 2.086 152 M HA -0.187 4.293 4.480 0.000 0.000 0.261 152 M C 2.063 178.344 176.300 -0.032 0.000 1.067 152 M CA 1.533 56.734 55.300 -0.166 0.000 1.116 152 M CB -0.270 32.004 32.600 -0.542 0.000 1.348 152 M HN 0.038 nan 8.290 nan 0.000 0.407 153 E N 0.446 120.626 120.200 -0.034 0.000 2.097 153 E HA -0.209 4.141 4.350 0.000 0.000 0.196 153 E C 2.074 178.695 176.600 0.034 0.000 1.000 153 E CA 1.475 57.878 56.400 0.005 0.000 0.804 153 E CB -0.251 29.451 29.700 0.004 0.000 0.740 153 E HN 0.546 nan 8.360 nan 0.000 0.454 154 A N 0.910 123.754 122.820 0.040 0.000 1.968 154 A HA -0.090 4.230 4.320 0.000 0.000 0.217 154 A C 2.170 179.832 177.584 0.130 0.000 1.169 154 A CA 0.724 52.799 52.037 0.064 0.000 0.638 154 A CB -0.466 18.577 19.000 0.071 0.000 0.812 154 A HN 0.107 nan 8.150 nan 0.000 0.446 155 L N -0.503 120.785 121.223 0.108 0.000 2.012 155 L HA -0.181 4.160 4.340 0.000 0.000 0.210 155 L C 2.486 179.382 176.870 0.043 0.000 1.073 155 L CA 1.297 56.161 54.840 0.041 0.000 0.748 155 L CB -0.482 41.576 42.059 -0.001 0.000 0.891 155 L HN 0.256 nan 8.230 nan 0.000 0.431 156 V N -0.563 119.415 119.914 0.107 0.000 2.453 156 V HA -0.245 3.875 4.120 0.000 0.000 0.247 156 V C 2.466 178.566 176.094 0.011 0.000 1.048 156 V CA 1.486 63.823 62.300 0.061 0.000 1.049 156 V CB -0.466 31.411 31.823 0.090 0.000 0.672 156 V HN 0.384 nan 8.190 nan 0.000 0.457 157 K N 0.058 120.463 120.400 0.008 0.000 1.985 157 K HA -0.183 4.137 4.320 0.000 0.000 0.210 157 K C 1.509 178.065 176.600 -0.072 0.000 1.047 157 K CA 2.013 58.289 56.287 -0.019 0.000 0.932 157 K CB -0.041 32.452 32.500 -0.012 0.000 0.716 157 K HN 0.446 nan 8.250 nan 0.000 0.439 158 D N -1.905 118.403 120.400 -0.154 0.000 2.454 158 D HA 0.030 4.670 4.640 0.000 0.000 0.214 158 D C 0.920 176.894 176.300 -0.545 0.000 1.088 158 D CA 0.419 54.208 54.000 -0.351 0.000 0.855 158 D CB 0.430 40.939 40.800 -0.485 0.000 1.025 158 D HN 0.294 nan 8.370 nan 0.000 0.502 159 H N -0.064 118.927 119.070 -0.133 0.000 2.594 159 H HA 0.304 4.860 4.556 0.001 0.000 0.279 159 H C 1.076 176.387 175.328 -0.028 0.000 1.042 159 H CA 0.538 56.464 56.048 -0.205 0.000 1.177 159 H CB 1.025 30.383 29.762 -0.672 0.000 1.524 159 H HN 0.106 nan 8.280 nan 0.000 0.537 160 G N 1.708 110.555 108.800 0.079 0.000 2.221 160 G HA2 -0.270 3.690 3.960 0.000 0.000 0.265 160 G HA3 -0.270 3.690 3.960 0.000 0.000 0.265 160 G C 0.063 175.049 174.900 0.144 0.000 1.041 160 G CA 0.480 45.671 45.100 0.151 0.000 0.807 160 G HN 0.214 nan 8.290 nan 0.000 0.502 161 V N 0.614 120.546 119.914 0.030 0.000 2.472 161 V HA 0.612 4.732 4.120 0.000 0.000 0.290 161 V C 0.627 176.652 176.094 -0.116 0.000 1.037 161 V CA -0.049 62.202 62.300 -0.082 0.000 0.908 161 V CB 1.882 33.572 31.823 -0.221 0.000 0.985 161 V HN 0.617 nan 8.190 nan 0.000 0.454 162 N N 0.930 119.534 118.700 -0.160 0.000 2.307 162 N HA 0.116 4.856 4.740 0.000 0.000 0.248 162 N C -0.474 174.983 175.510 -0.088 0.000 1.322 162 N CA -0.094 52.902 53.050 -0.090 0.000 0.861 162 N CB 0.863 39.332 38.487 -0.029 0.000 1.303 162 N HN 0.580 nan 8.380 nan 0.000 0.498 163 S N -0.808 114.685 115.700 -0.345 0.000 2.536 163 S HA 0.786 5.256 4.470 0.000 0.000 0.271 163 S C -1.263 172.937 174.600 -0.666 0.000 1.134 163 S CA -0.771 57.277 58.200 -0.254 0.000 0.897 163 S CB 0.977 64.199 63.200 0.037 0.000 1.094 163 S HN 0.065 nan 8.310 nan 0.000 0.473 164 F N 0.831 120.769 119.950 -0.020 0.000 2.601 164 F HA 0.676 5.203 4.527 0.000 0.000 0.309 164 F C -0.724 175.030 175.800 -0.075 0.000 1.089 164 F CA -0.918 57.058 58.000 -0.041 0.000 0.940 164 F CB 1.976 40.955 39.000 -0.035 0.000 1.273 164 F HN 0.721 nan 8.300 nan 0.000 0.450 165 L N 3.903 125.176 121.223 0.084 0.000 2.365 165 L HA 0.913 5.253 4.340 0.000 0.000 0.273 165 L C -1.254 175.567 176.870 -0.082 0.000 1.000 165 L CA -0.929 53.877 54.840 -0.057 0.000 0.819 165 L CB 1.729 43.690 42.059 -0.165 0.000 1.284 165 L HN 0.557 nan 8.230 nan 0.000 0.418 166 V N 0.980 120.830 119.914 -0.107 0.000 2.715 166 V HA 0.582 4.702 4.120 0.000 0.000 0.310 166 V C -1.288 174.762 176.094 -0.073 0.000 1.054 166 V CA -0.589 61.685 62.300 -0.045 0.000 0.928 166 V CB 1.642 33.446 31.823 -0.031 0.000 1.007 166 V HN 0.666 nan 8.190 nan 0.000 0.437 167 Y N 2.754 123.109 120.300 0.092 0.000 2.387 167 Y HA 0.631 5.182 4.550 0.001 0.000 0.336 167 Y C 0.964 176.953 175.900 0.147 0.000 1.067 167 Y CA -0.714 57.484 58.100 0.163 0.000 1.114 167 Y CB 2.341 40.945 38.460 0.239 0.000 1.208 167 Y HN 0.626 nan 8.280 nan 0.000 0.458 168 M N 1.231 121.012 119.600 0.301 0.000 2.331 168 M HA 0.375 4.855 4.480 0.000 0.000 0.266 168 M C 0.281 176.673 176.300 0.153 0.000 1.055 168 M CA 0.223 55.637 55.300 0.190 0.000 1.048 168 M CB 0.707 33.394 32.600 0.144 0.000 1.460 168 M HN 0.752 nan 8.290 nan 0.000 0.519 169 A N -0.720 122.192 122.820 0.153 0.000 2.468 169 A HA 0.731 5.051 4.320 0.000 0.000 0.277 169 A C -0.591 176.971 177.584 -0.038 0.000 1.203 169 A CA -0.473 51.514 52.037 -0.082 0.000 0.932 169 A CB 0.327 19.128 19.000 -0.332 0.000 1.438 169 A HN 0.355 nan 8.150 nan 0.000 0.468 170 F N -1.018 118.942 119.950 0.017 0.000 2.803 170 F HA -0.136 4.391 4.527 0.000 0.000 0.323 170 F C 0.588 176.357 175.800 -0.052 0.000 1.033 170 F CA 0.986 58.950 58.000 -0.060 0.000 1.066 170 F CB -1.584 37.332 39.000 -0.140 0.000 1.283 170 F HN 0.714 nan 8.300 nan 0.000 0.816 171 K N 1.761 122.202 120.400 0.068 0.000 2.469 171 K HA 0.005 4.326 4.320 0.000 0.000 0.274 171 K C 1.047 177.666 176.600 0.031 0.000 0.983 171 K CA 0.662 56.980 56.287 0.051 0.000 0.974 171 K CB 0.342 32.857 32.500 0.025 0.000 0.913 171 K HN 0.427 nan 8.250 nan 0.000 0.493 172 D N 0.917 121.337 120.400 0.033 0.000 3.059 172 D HA -0.251 4.389 4.640 0.000 0.000 0.222 172 D C 0.794 177.072 176.300 -0.035 0.000 1.185 172 D CA 1.759 55.766 54.000 0.011 0.000 0.904 172 D CB -0.332 40.469 40.800 0.002 0.000 1.122 172 D HN 0.773 nan 8.370 nan 0.000 0.410 173 R N -1.275 119.181 120.500 -0.073 0.000 2.342 173 R HA 0.171 4.512 4.340 0.000 0.000 0.179 173 R C 1.411 177.557 176.300 -0.256 0.000 0.989 173 R CA 0.324 56.261 56.100 -0.272 0.000 1.125 173 R CB 0.146 30.158 30.300 -0.480 0.000 1.211 173 R HN 0.024 nan 8.270 nan 0.000 0.568 174 F N 0.945 120.880 119.950 -0.025 0.000 2.747 174 F HA 0.373 4.901 4.527 0.001 0.000 0.305 174 F C 0.414 176.278 175.800 0.106 0.000 1.065 174 F CA -0.395 57.573 58.000 -0.054 0.000 1.230 174 F CB -0.350 38.388 39.000 -0.436 0.000 1.027 174 F HN 0.109 nan 8.300 nan 0.000 0.607 175 Q N 1.836 121.823 119.800 0.313 0.000 2.349 175 Q HA 0.178 4.519 4.340 0.000 0.000 0.287 175 Q C -1.193 174.930 176.000 0.204 0.000 1.044 175 Q CA 0.249 56.205 55.803 0.256 0.000 0.918 175 Q CB 0.575 29.416 28.738 0.173 0.000 1.242 175 Q HN 0.058 nan 8.270 nan 0.000 0.405 176 L N 2.854 124.184 121.223 0.179 0.000 2.330 176 L HA 0.446 4.786 4.340 0.000 0.000 0.271 176 L C 0.222 177.154 176.870 0.104 0.000 1.013 176 L CA -0.217 54.704 54.840 0.136 0.000 0.816 176 L CB 1.811 43.925 42.059 0.091 0.000 1.287 176 L HN 0.922 nan 8.230 nan 0.000 0.435 177 T N -2.789 111.823 114.554 0.096 0.000 2.816 177 T HA 0.199 4.549 4.350 0.000 0.000 0.282 177 T C 0.694 175.432 174.700 0.064 0.000 0.993 177 T CA -0.546 61.600 62.100 0.078 0.000 0.994 177 T CB 0.665 69.581 68.868 0.079 0.000 1.025 177 T HN 0.503 nan 8.240 nan 0.000 0.529 178 D N 0.135 120.569 120.400 0.057 0.000 2.144 178 D HA -0.106 4.534 4.640 0.000 0.000 0.199 178 D C 2.279 178.625 176.300 0.076 0.000 0.984 178 D CA 1.576 55.612 54.000 0.059 0.000 0.834 178 D CB -0.695 40.135 40.800 0.050 0.000 0.955 178 D HN 0.824 nan 8.370 nan 0.000 0.465 179 C N 0.061 119.396 119.300 0.059 0.000 2.432 179 C HA 0.017 4.477 4.460 0.000 0.000 0.280 179 C C 2.387 177.444 174.990 0.111 0.000 1.353 179 C CA 0.142 59.193 59.018 0.055 0.000 1.766 179 C CB -1.132 26.616 27.740 0.014 0.000 1.924 179 C HN 0.226 nan 8.230 nan 0.000 0.509 180 Q N 0.904 120.756 119.800 0.088 0.000 2.096 180 Q HA 0.068 4.408 4.340 0.000 0.000 0.197 180 Q C 2.367 178.238 176.000 -0.214 0.000 0.964 180 Q CA 1.484 57.293 55.803 0.009 0.000 0.838 180 Q CB -0.153 28.635 28.738 0.084 0.000 0.906 180 Q HN 0.733 nan 8.270 nan 0.000 0.444 181 I N 0.062 120.573 120.570 -0.099 0.000 2.127 181 I HA -0.341 3.829 4.170 0.000 0.000 0.241 181 I C 2.267 178.329 176.117 -0.092 0.000 1.075 181 I CA 1.458 62.683 61.300 -0.124 0.000 1.334 181 I CB -0.446 37.535 38.000 -0.032 0.000 1.040 181 I HN 0.236 nan 8.210 nan 0.000 0.405 182 Y N 1.872 122.111 120.300 -0.103 0.000 2.062 182 Y HA -0.386 4.165 4.550 0.001 0.000 0.276 182 Y C 2.534 178.379 175.900 -0.091 0.000 1.189 182 Y CA 2.277 60.337 58.100 -0.068 0.000 1.130 182 Y CB -0.366 38.082 38.460 -0.021 0.000 0.959 182 Y HN 0.192 nan 8.280 nan 0.000 0.499 183 E N -1.020 119.271 120.200 0.153 0.000 2.106 183 E HA -0.167 4.184 4.350 0.000 0.000 0.192 183 E C 2.187 178.671 176.600 -0.194 0.000 0.984 183 E CA 1.472 57.941 56.400 0.115 0.000 0.806 183 E CB -0.156 29.741 29.700 0.328 0.000 0.750 183 E HN 0.389 nan 8.360 nan 0.000 0.458 184 V N 0.984 120.517 119.914 -0.634 0.000 2.358 184 V HA -0.237 3.883 4.120 0.000 0.000 0.246 184 V C 2.209 178.089 176.094 -0.358 0.000 1.047 184 V CA 1.199 63.031 62.300 -0.781 0.000 1.035 184 V CB -0.359 30.936 31.823 -0.880 0.000 0.658 184 V HN 0.192 nan 8.190 nan 0.000 0.452 185 L N 0.206 121.263 121.223 -0.276 0.000 2.083 185 L HA -0.119 4.221 4.340 0.000 0.000 0.209 185 L C 2.626 179.395 176.870 -0.168 0.000 1.083 185 L CA 1.853 56.579 54.840 -0.191 0.000 0.752 185 L CB -0.847 41.102 42.059 -0.184 0.000 0.899 185 L HN 0.253 nan 8.230 nan 0.000 0.433 186 S N -1.210 114.366 115.700 -0.206 0.000 2.368 186 S HA -0.150 4.320 4.470 0.000 0.000 0.225 186 S C 2.059 176.640 174.600 -0.032 0.000 1.030 186 S CA 1.326 59.447 58.200 -0.131 0.000 0.999 186 S CB -0.307 62.825 63.200 -0.113 0.000 0.844 186 S HN 0.223 nan 8.310 nan 0.000 0.459 187 V N 2.123 122.022 119.914 -0.025 0.000 2.307 187 V HA -0.125 3.996 4.120 0.000 0.000 0.245 187 V C 2.087 178.166 176.094 -0.025 0.000 1.045 187 V CA 1.400 63.706 62.300 0.009 0.000 1.024 187 V CB -0.608 31.247 31.823 0.054 0.000 0.651 187 V HN 0.455 nan 8.190 nan 0.000 0.449 188 I N -0.309 120.222 120.570 -0.065 0.000 2.264 188 I HA -0.276 3.894 4.170 0.000 0.000 0.248 188 I C 2.759 178.914 176.117 0.063 0.000 1.111 188 I CA 1.636 62.927 61.300 -0.016 0.000 1.382 188 I CB -0.465 37.540 38.000 0.009 0.000 1.060 188 I HN 0.286 nan 8.210 nan 0.000 0.418 189 R N 0.970 121.517 120.500 0.079 0.000 2.082 189 R HA -0.267 4.073 4.340 0.000 0.000 0.234 189 R C 2.126 178.549 176.300 0.206 0.000 1.136 189 R CA 2.380 58.592 56.100 0.187 0.000 0.935 189 R CB -0.404 29.958 30.300 0.103 0.000 0.842 189 R HN 0.273 nan 8.270 nan 0.000 0.430 190 D N 0.672 121.149 120.400 0.129 0.000 2.264 190 D HA -0.126 4.514 4.640 0.000 0.000 0.208 190 D C 1.764 178.158 176.300 0.158 0.000 0.966 190 D CA 1.174 55.269 54.000 0.158 0.000 0.864 190 D CB 0.015 40.879 40.800 0.106 0.000 0.933 190 D HN 0.579 nan 8.370 nan 0.000 0.499 191 I N -4.320 116.259 120.570 0.015 0.000 3.883 191 I HA 0.353 4.524 4.170 0.000 0.000 0.326 191 I C 1.275 177.089 176.117 -0.504 0.000 1.283 191 I CA 0.513 61.762 61.300 -0.085 0.000 1.161 191 I CB 0.246 38.219 38.000 -0.046 0.000 1.012 191 I HN 0.009 nan 8.210 nan 0.000 0.421 192 G N 1.574 109.784 108.800 -0.984 0.000 2.137 192 G HA2 -0.145 3.815 3.960 0.000 0.000 0.237 192 G HA3 -0.145 3.815 3.960 0.000 0.000 0.237 192 G C 0.201 174.531 174.900 -0.951 0.000 1.002 192 G CA 0.064 43.810 45.100 -2.257 0.000 0.702 192 G HN 0.933 nan 8.290 nan 0.000 0.515 193 A N -0.397 122.266 122.820 -0.261 0.000 2.261 193 A HA 0.868 5.189 4.320 0.000 0.000 0.323 193 A C 0.257 177.975 177.584 0.223 0.000 1.107 193 A CA -0.758 51.310 52.037 0.052 0.000 0.883 193 A CB 0.845 20.000 19.000 0.259 0.000 1.251 193 A HN 0.545 nan 8.150 nan 0.000 0.502 194 I N 0.937 121.619 120.570 0.187 0.000 2.353 194 I HA 0.400 4.570 4.170 0.000 0.000 0.293 194 I C 0.741 176.945 176.117 0.145 0.000 0.992 194 I CA -0.235 61.156 61.300 0.152 0.000 1.268 194 I CB 0.752 38.814 38.000 0.103 0.000 1.387 194 I HN 0.647 nan 8.210 nan 0.000 0.478 195 A N 7.537 130.427 122.820 0.116 0.000 2.310 195 A HA 0.457 4.778 4.320 0.000 0.000 0.300 195 A C 0.179 177.820 177.584 0.095 0.000 1.269 195 A CA -0.446 51.644 52.037 0.088 0.000 0.909 195 A CB 0.172 19.194 19.000 0.038 0.000 1.144 195 A HN 0.773 nan 8.150 nan 0.000 0.540 196 Q N 0.507 120.339 119.800 0.053 0.000 2.195 196 Q HA 0.715 5.056 4.340 0.000 0.000 0.250 196 Q C -1.023 174.995 176.000 0.030 0.000 0.988 196 Q CA -0.799 55.049 55.803 0.076 0.000 0.911 196 Q CB 2.396 31.096 28.738 -0.064 0.000 1.258 196 Q HN 0.555 nan 8.270 nan 0.000 0.475 197 V N 0.442 120.386 119.914 0.051 0.000 2.777 197 V HA 0.213 4.333 4.120 0.000 0.000 0.306 197 V C -1.861 174.240 176.094 0.011 0.000 1.112 197 V CA -0.566 61.736 62.300 0.003 0.000 0.917 197 V CB 1.929 33.770 31.823 0.031 0.000 1.018 197 V HN 0.894 nan 8.190 nan 0.000 0.426 198 H N 5.905 124.890 119.070 -0.141 0.000 2.690 198 H HA 0.748 5.304 4.556 0.001 0.000 0.289 198 H C 0.024 175.376 175.328 0.040 0.000 1.089 198 H CA 0.214 56.241 56.048 -0.036 0.000 1.299 198 H CB 1.306 31.059 29.762 -0.015 0.000 1.405 198 H HN 0.909 nan 8.280 nan 0.000 0.463 199 A N 5.693 128.538 122.820 0.042 0.000 2.540 199 A HA 0.318 4.638 4.320 0.000 0.000 0.340 199 A C -0.578 177.040 177.584 0.056 0.000 1.424 199 A CA -0.644 51.438 52.037 0.075 0.000 0.940 199 A CB 0.119 19.132 19.000 0.022 0.000 1.149 199 A HN 0.882 nan 8.150 nan 0.000 0.505 200 E N 1.174 121.466 120.200 0.153 0.000 2.343 200 E HA 0.199 4.549 4.350 0.000 0.000 0.270 200 E C -0.792 175.842 176.600 0.056 0.000 0.895 200 E CA -1.111 55.333 56.400 0.074 0.000 0.767 200 E CB 1.557 31.298 29.700 0.069 0.000 1.248 200 E HN 0.541 nan 8.360 nan 0.000 0.440 201 N N 1.480 120.194 118.700 0.023 0.000 2.406 201 N HA -0.006 4.734 4.740 0.000 0.000 0.274 201 N C 0.635 176.144 175.510 -0.002 0.000 1.249 201 N CA 0.149 53.210 53.050 0.017 0.000 0.951 201 N CB 0.885 39.377 38.487 0.009 0.000 1.241 201 N HN 0.772 nan 8.380 nan 0.000 0.485 202 G N 2.783 111.584 108.800 0.001 0.000 2.509 202 G HA2 -0.192 3.768 3.960 0.000 0.000 0.218 202 G HA3 -0.192 3.768 3.960 0.000 0.000 0.218 202 G C 1.060 175.954 174.900 -0.010 0.000 1.124 202 G CA 0.200 45.284 45.100 -0.027 0.000 0.776 202 G HN 0.489 nan 8.290 nan 0.000 0.547 203 D N 0.585 120.988 120.400 0.005 0.000 2.110 203 D HA -0.005 4.635 4.640 0.000 0.000 0.202 203 D C 2.583 178.884 176.300 0.002 0.000 0.975 203 D CA 0.349 54.354 54.000 0.008 0.000 0.839 203 D CB -0.077 40.732 40.800 0.015 0.000 0.996 203 D HN 0.324 nan 8.370 nan 0.000 0.464 204 I N 0.496 121.066 120.570 -0.001 0.000 2.226 204 I HA -0.206 3.964 4.170 0.000 0.000 0.245 204 I C 2.262 178.375 176.117 -0.007 0.000 1.100 204 I CA 0.738 62.036 61.300 -0.003 0.000 1.374 204 I CB -0.172 37.825 38.000 -0.006 0.000 1.057 204 I HN -0.003 nan 8.210 nan 0.000 0.413 205 I N 0.876 121.436 120.570 -0.017 0.000 2.226 205 I HA -0.284 3.886 4.170 0.000 0.000 0.245 205 I C 2.816 178.931 176.117 -0.003 0.000 1.100 205 I CA 1.341 62.628 61.300 -0.022 0.000 1.374 205 I CB -0.413 37.554 38.000 -0.055 0.000 1.057 205 I HN 0.192 nan 8.210 nan 0.000 0.413 206 A N 0.258 123.074 122.820 -0.007 0.000 1.902 206 A HA -0.186 4.135 4.320 0.000 0.000 0.217 206 A C 2.229 179.818 177.584 0.007 0.000 1.181 206 A CA 1.444 53.481 52.037 -0.000 0.000 0.623 206 A CB -0.373 18.626 19.000 -0.002 0.000 0.818 206 A HN 0.314 nan 8.150 nan 0.000 0.443 207 E N 0.037 120.242 120.200 0.008 0.000 2.106 207 E HA -0.131 4.219 4.350 0.000 0.000 0.192 207 E C 1.992 178.604 176.600 0.020 0.000 0.984 207 E CA 0.945 57.352 56.400 0.012 0.000 0.806 207 E CB -0.284 29.422 29.700 0.009 0.000 0.750 207 E HN 0.620 nan 8.360 nan 0.000 0.458 208 E N 1.057 121.270 120.200 0.022 0.000 2.015 208 E HA -0.161 4.189 4.350 0.000 0.000 0.191 208 E C 2.148 178.791 176.600 0.071 0.000 0.991 208 E CA 0.647 57.066 56.400 0.032 0.000 0.802 208 E CB -0.263 29.445 29.700 0.015 0.000 0.759 208 E HN 0.356 nan 8.360 nan 0.000 0.447 209 Q N 0.300 120.159 119.800 0.097 0.000 2.124 209 Q HA -0.297 4.044 4.340 0.000 0.000 0.215 209 Q C 2.243 178.319 176.000 0.128 0.000 1.015 209 Q CA 2.267 58.173 55.803 0.172 0.000 0.890 209 Q CB -0.235 28.547 28.738 0.074 0.000 0.966 209 Q HN 0.086 nan 8.270 nan 0.000 0.412 210 Q N 0.371 120.204 119.800 0.055 0.000 2.187 210 Q HA -0.076 4.264 4.340 0.000 0.000 0.199 210 Q C 1.753 177.780 176.000 0.045 0.000 0.957 210 Q CA 1.386 57.207 55.803 0.030 0.000 0.857 210 Q CB -0.109 28.635 28.738 0.010 0.000 0.929 210 Q HN 0.249 nan 8.270 nan 0.000 0.453 211 R N -0.368 120.162 120.500 0.049 0.000 2.081 211 R HA -0.071 4.270 4.340 0.000 0.000 0.235 211 R C 1.856 178.193 176.300 0.061 0.000 1.131 211 R CA 1.465 57.591 56.100 0.044 0.000 0.960 211 R CB -0.133 30.187 30.300 0.034 0.000 0.856 211 R HN 0.302 nan 8.270 nan 0.000 0.436 212 I N 0.676 121.303 120.570 0.094 0.000 2.333 212 I HA -0.203 3.967 4.170 0.000 0.000 0.246 212 I C 2.350 178.561 176.117 0.156 0.000 1.106 212 I CA 0.769 62.134 61.300 0.108 0.000 1.411 212 I CB -0.674 37.391 38.000 0.108 0.000 1.082 212 I HN 0.249 nan 8.210 nan 0.000 0.420 213 L N 0.878 122.228 121.223 0.212 0.000 2.013 213 L HA -0.256 4.084 4.340 0.000 0.000 0.212 213 L C 1.736 178.662 176.870 0.092 0.000 1.073 213 L CA 1.506 56.448 54.840 0.171 0.000 0.753 213 L CB -0.588 41.504 42.059 0.056 0.000 0.890 213 L HN 0.260 nan 8.230 nan 0.000 0.432 214 D N -0.395 120.044 120.400 0.064 0.000 2.352 214 D HA -0.015 4.625 4.640 0.000 0.000 0.232 214 D C 2.028 178.353 176.300 0.042 0.000 1.055 214 D CA 0.593 54.618 54.000 0.042 0.000 0.891 214 D CB 0.256 41.074 40.800 0.029 0.000 0.897 214 D HN 0.353 nan 8.370 nan 0.000 0.529 215 L N -0.957 120.298 121.223 0.053 0.000 2.416 215 L HA 0.175 4.515 4.340 0.000 0.000 0.216 215 L C 1.757 178.654 176.870 0.046 0.000 1.098 215 L CA 0.689 55.556 54.840 0.044 0.000 0.840 215 L CB 0.348 42.433 42.059 0.043 0.000 0.981 215 L HN 0.200 nan 8.230 nan 0.000 0.462 216 G N -0.084 108.751 108.800 0.059 0.000 2.296 216 G HA2 -0.184 3.776 3.960 0.000 0.000 0.188 216 G HA3 -0.184 3.776 3.960 0.000 0.000 0.188 216 G C 0.251 175.196 174.900 0.076 0.000 1.000 216 G CA -0.537 44.598 45.100 0.059 0.000 0.672 216 G HN 0.122 nan 8.290 nan 0.000 0.483 217 I N 3.145 123.765 120.570 0.084 0.000 2.421 217 I HA 0.343 4.514 4.170 0.000 0.000 0.291 217 I C 1.646 177.866 176.117 0.171 0.000 1.089 217 I CA 0.966 62.310 61.300 0.074 0.000 1.354 217 I CB 1.181 39.186 38.000 0.008 0.000 1.413 217 I HN 0.285 nan 8.210 nan 0.000 0.513 218 T N 0.787 115.450 114.554 0.182 0.000 2.958 218 T HA 0.205 4.555 4.350 0.000 0.000 0.256 218 T C 0.958 175.867 174.700 0.347 0.000 0.983 218 T CA 0.068 62.359 62.100 0.319 0.000 0.924 218 T CB 0.179 69.163 68.868 0.194 0.000 1.136 218 T HN 0.531 nan 8.240 nan 0.000 0.506 219 G N 2.301 111.216 108.800 0.192 0.000 2.683 219 G HA2 0.405 4.365 3.960 0.000 0.000 0.260 219 G HA3 0.405 4.365 3.960 0.000 0.000 0.260 219 G C -1.435 173.462 174.900 -0.004 0.000 1.238 219 G CA -0.991 44.222 45.100 0.189 0.000 0.934 219 G HN 0.030 nan 8.290 nan 0.000 0.534 220 P HA -0.223 nan 4.420 nan 0.000 0.217 220 P C 1.962 178.974 177.300 -0.480 0.000 1.162 220 P CA 1.928 64.863 63.100 -0.275 0.000 0.901 220 P CB 0.074 31.563 31.700 -0.351 0.000 0.793 221 E N -0.037 119.791 120.200 -0.620 0.000 2.233 221 E HA -0.202 4.148 4.350 0.000 0.000 0.199 221 E C 2.097 178.207 176.600 -0.817 0.000 1.004 221 E CA 2.090 57.903 56.400 -0.978 0.000 0.819 221 E CB -1.764 27.140 29.700 -1.326 0.000 0.738 221 E HN 0.263 nan 8.360 nan 0.000 0.478 222 G N 0.448 108.731 108.800 -0.861 0.000 2.442 222 G HA2 -0.353 3.608 3.960 0.000 0.000 0.219 222 G HA3 -0.353 3.608 3.960 0.000 0.000 0.219 222 G C 1.490 175.575 174.900 -1.359 0.000 1.141 222 G CA 1.155 45.443 45.100 -1.353 0.000 0.763 222 G HN 0.476 nan 8.290 nan 0.000 0.554 223 H N 0.094 118.516 119.070 -1.081 0.000 2.265 223 H HA -0.067 4.489 4.556 0.000 0.000 0.295 223 H C 2.561 177.606 175.328 -0.472 0.000 1.084 223 H CA 1.903 57.658 56.048 -0.488 0.000 1.261 223 H CB -0.530 29.038 29.762 -0.323 0.000 1.360 223 H HN 0.099 nan 8.280 nan 0.000 0.487 224 V N 0.092 119.574 119.914 -0.720 0.000 2.809 224 V HA -0.066 4.055 4.120 0.000 0.000 0.256 224 V C 2.256 178.154 176.094 -0.327 0.000 1.080 224 V CA 1.266 63.219 62.300 -0.577 0.000 1.102 224 V CB -0.498 30.958 31.823 -0.611 0.000 0.705 224 V HN 0.467 nan 8.190 nan 0.000 0.475 225 L N 0.401 121.417 121.223 -0.346 0.000 2.240 225 L HA -0.028 4.312 4.340 0.000 0.000 0.211 225 L C 2.502 179.282 176.870 -0.151 0.000 1.106 225 L CA 1.534 56.265 54.840 -0.181 0.000 0.793 225 L CB -0.218 41.737 42.059 -0.174 0.000 0.927 225 L HN 0.607 nan 8.230 nan 0.000 0.446 226 S N -0.849 114.732 115.700 -0.198 0.000 2.558 226 S HA 0.034 4.504 4.470 0.000 0.000 0.217 226 S C 1.174 175.707 174.600 -0.111 0.000 0.975 226 S CA -0.256 57.886 58.200 -0.096 0.000 0.912 226 S CB 0.054 63.263 63.200 0.014 0.000 0.776 226 S HN 0.401 nan 8.310 nan 0.000 0.526 227 R N 1.335 121.728 120.500 -0.178 0.000 2.772 227 R HA 0.358 4.699 4.340 0.000 0.000 0.358 227 R C -3.036 173.197 176.300 -0.112 0.000 1.143 227 R CA -1.644 54.361 56.100 -0.160 0.000 1.153 227 R CB 0.219 30.365 30.300 -0.257 0.000 1.329 227 R HN 0.306 nan 8.270 nan 0.000 0.615 228 P HA -0.106 nan 4.420 nan 0.000 0.268 228 P C 0.649 177.932 177.300 -0.029 0.000 1.208 228 P CA 0.135 63.212 63.100 -0.039 0.000 0.777 228 P CB 0.638 32.323 31.700 -0.025 0.000 0.875 229 E N 1.107 121.298 120.200 -0.014 0.000 2.333 229 E HA -0.266 4.085 4.350 0.000 0.000 0.200 229 E C 0.669 177.259 176.600 -0.016 0.000 1.010 229 E CA 1.340 57.734 56.400 -0.011 0.000 0.841 229 E CB -0.438 29.259 29.700 -0.005 0.000 0.757 229 E HN 0.417 nan 8.360 nan 0.000 0.508 230 E N 0.867 121.056 120.200 -0.019 0.000 2.204 230 E HA -0.141 4.209 4.350 0.000 0.000 0.194 230 E C 2.224 178.816 176.600 -0.014 0.000 0.989 230 E CA 1.456 57.846 56.400 -0.017 0.000 0.824 230 E CB 0.002 29.691 29.700 -0.018 0.000 0.756 230 E HN 0.455 nan 8.360 nan 0.000 0.477 231 V N -1.707 118.197 119.914 -0.017 0.000 3.052 231 V HA -0.006 4.115 4.120 0.000 0.000 0.254 231 V C 1.977 178.067 176.094 -0.008 0.000 1.100 231 V CA 1.236 63.529 62.300 -0.013 0.000 1.112 231 V CB 0.050 31.861 31.823 -0.020 0.000 0.738 231 V HN 0.122 nan 8.190 nan 0.000 0.469 232 E N 1.303 121.495 120.200 -0.013 0.000 2.006 232 E HA -0.134 4.216 4.350 0.000 0.000 0.192 232 E C 2.289 178.885 176.600 -0.007 0.000 0.993 232 E CA 1.487 57.879 56.400 -0.012 0.000 0.808 232 E CB -0.367 29.323 29.700 -0.016 0.000 0.764 232 E HN 0.625 nan 8.360 nan 0.000 0.449 233 A N 1.656 124.472 122.820 -0.008 0.000 1.917 233 A HA -0.261 4.059 4.320 0.000 0.000 0.219 233 A C 2.134 179.716 177.584 -0.003 0.000 1.182 233 A CA 1.925 53.959 52.037 -0.006 0.000 0.633 233 A CB -0.718 18.276 19.000 -0.009 0.000 0.819 233 A HN 0.407 nan 8.150 nan 0.000 0.448 234 E N 0.285 120.483 120.200 -0.002 0.000 2.106 234 E HA -0.118 4.233 4.350 0.000 0.000 0.192 234 E C 2.082 178.686 176.600 0.007 0.000 0.984 234 E CA 1.376 57.777 56.400 0.001 0.000 0.806 234 E CB -0.310 29.391 29.700 0.002 0.000 0.750 234 E HN 0.490 nan 8.360 nan 0.000 0.458 235 A N 0.500 123.327 122.820 0.011 0.000 1.975 235 A HA -0.005 4.315 4.320 0.000 0.000 0.215 235 A C 2.534 180.128 177.584 0.017 0.000 1.170 235 A CA 0.919 52.969 52.037 0.022 0.000 0.656 235 A CB -0.437 18.585 19.000 0.036 0.000 0.821 235 A HN 0.157 nan 8.150 nan 0.000 0.449 236 V N 1.291 121.209 119.914 0.007 0.000 2.287 236 V HA -0.321 3.799 4.120 0.000 0.000 0.248 236 V C 2.486 178.578 176.094 -0.003 0.000 1.053 236 V CA 2.282 64.581 62.300 -0.001 0.000 1.027 236 V CB -0.965 30.853 31.823 -0.008 0.000 0.646 236 V HN 0.751 nan 8.190 nan 0.000 0.447 237 N N 0.007 118.705 118.700 -0.003 0.000 2.120 237 N HA -0.244 4.496 4.740 0.000 0.000 0.188 237 N C 2.129 177.639 175.510 0.001 0.000 1.024 237 N CA 1.775 54.822 53.050 -0.004 0.000 0.852 237 N CB -0.004 38.481 38.487 -0.003 0.000 1.003 237 N HN 0.420 nan 8.380 nan 0.000 0.424 238 R N 0.538 121.043 120.500 0.008 0.000 2.075 238 R HA -0.032 4.308 4.340 0.000 0.000 0.232 238 R C 2.245 178.554 176.300 0.015 0.000 1.126 238 R CA 1.468 57.577 56.100 0.015 0.000 0.963 238 R CB -0.295 30.018 30.300 0.022 0.000 0.858 238 R HN 0.225 nan 8.270 nan 0.000 0.435 239 A N 0.763 123.590 122.820 0.012 0.000 1.902 239 A HA -0.135 4.185 4.320 0.000 0.000 0.217 239 A C 2.168 179.748 177.584 -0.006 0.000 1.181 239 A CA 1.494 53.535 52.037 0.007 0.000 0.623 239 A CB -0.555 18.452 19.000 0.011 0.000 0.818 239 A HN 0.370 nan 8.150 nan 0.000 0.443 240 I N -0.265 120.298 120.570 -0.012 0.000 2.163 240 I HA -0.251 3.919 4.170 0.000 0.000 0.243 240 I C 2.543 178.648 176.117 -0.020 0.000 1.085 240 I CA 1.818 63.103 61.300 -0.025 0.000 1.347 240 I CB -0.612 37.369 38.000 -0.031 0.000 1.044 240 I HN 0.264 nan 8.210 nan 0.000 0.408 241 T N 1.015 115.565 114.554 -0.007 0.000 2.803 241 T HA -0.145 4.205 4.350 0.000 0.000 0.269 241 T C 1.792 176.498 174.700 0.011 0.000 1.052 241 T CA 1.442 63.544 62.100 0.002 0.000 1.136 241 T CB -0.263 68.612 68.868 0.013 0.000 0.864 241 T HN 0.295 nan 8.240 nan 0.000 0.467 242 I N 0.878 121.455 120.570 0.011 0.000 2.480 242 I HA 0.042 4.212 4.170 0.000 0.000 0.251 242 I C 2.832 178.920 176.117 -0.049 0.000 1.124 242 I CA 0.626 61.935 61.300 0.015 0.000 1.444 242 I CB -0.378 37.641 38.000 0.031 0.000 1.098 242 I HN 0.143 nan 8.210 nan 0.000 0.428 243 A N 1.109 123.899 122.820 -0.050 0.000 1.933 243 A HA -0.184 4.136 4.320 0.000 0.000 0.218 243 A C 2.080 179.620 177.584 -0.073 0.000 1.175 243 A CA 1.737 53.731 52.037 -0.071 0.000 0.628 243 A CB -0.572 18.395 19.000 -0.055 0.000 0.814 243 A HN 0.370 nan 8.150 nan 0.000 0.444 244 N N -0.330 118.338 118.700 -0.053 0.000 2.142 244 N HA -0.114 4.626 4.740 0.000 0.000 0.186 244 N C 1.817 177.306 175.510 -0.036 0.000 1.023 244 N CA 1.182 54.204 53.050 -0.047 0.000 0.852 244 N CB -0.318 38.147 38.487 -0.036 0.000 0.998 244 N HN 0.401 nan 8.380 nan 0.000 0.424 245 Q N -0.167 119.621 119.800 -0.020 0.000 2.119 245 Q HA -0.044 4.296 4.340 0.000 0.000 0.201 245 Q C 1.661 177.633 176.000 -0.047 0.000 0.972 245 Q CA 1.046 56.854 55.803 0.008 0.000 0.847 245 Q CB -0.717 28.070 28.738 0.083 0.000 0.903 245 Q HN 0.313 nan 8.270 nan 0.000 0.433 246 T N -0.019 114.453 114.554 -0.137 0.000 3.086 246 T HA -0.006 4.345 4.350 0.000 0.000 0.250 246 T C 0.476 175.100 174.700 -0.127 0.000 1.074 246 T CA 0.346 62.306 62.100 -0.232 0.000 0.988 246 T CB -0.203 68.409 68.868 -0.427 0.000 0.988 246 T HN 0.330 nan 8.240 nan 0.000 0.530 247 N N 0.719 119.369 118.700 -0.083 0.000 2.716 247 N HA -0.166 4.574 4.740 0.000 0.000 0.250 247 N C -0.685 174.781 175.510 -0.073 0.000 1.033 247 N CA 0.718 53.729 53.050 -0.064 0.000 0.727 247 N CB -2.194 36.274 38.487 -0.033 0.000 0.950 247 N HN 0.486 nan 8.380 nan 0.000 0.541 248 C N 1.053 120.298 119.300 -0.091 0.000 2.351 248 C HA 0.648 5.108 4.460 0.000 0.000 0.326 248 C C -2.194 172.734 174.990 -0.103 0.000 1.272 248 C CA -1.819 57.147 59.018 -0.087 0.000 1.650 248 C CB 0.662 28.359 27.740 -0.071 0.000 2.257 248 C HN 0.386 nan 8.230 nan 0.000 0.505 249 P HA 0.214 nan 4.420 nan 0.000 0.267 249 P C -0.875 176.436 177.300 0.018 0.000 1.209 249 P CA 0.122 63.164 63.100 -0.096 0.000 0.763 249 P CB 0.408 32.003 31.700 -0.176 0.000 0.816 250 L N 5.424 126.675 121.223 0.047 0.000 2.334 250 L HA 0.617 4.957 4.340 0.000 0.000 0.276 250 L C -1.263 175.727 176.870 0.200 0.000 1.014 250 L CA -0.931 53.959 54.840 0.083 0.000 0.815 250 L CB 1.393 43.460 42.059 0.012 0.000 1.268 250 L HN 0.262 nan 8.230 nan 0.000 0.428 251 Y N 5.266 125.602 120.300 0.059 0.000 2.373 251 Y HA 0.598 5.148 4.550 0.000 0.000 0.336 251 Y C -1.171 174.756 175.900 0.046 0.000 0.979 251 Y CA -1.074 57.081 58.100 0.092 0.000 1.080 251 Y CB 1.290 39.807 38.460 0.096 0.000 1.190 251 Y HN 0.399 nan 8.280 nan 0.000 0.446 252 I N 6.591 127.089 120.570 -0.120 0.000 2.307 252 I HA 0.189 4.359 4.170 0.000 0.000 0.289 252 I C 0.365 176.441 176.117 -0.069 0.000 1.021 252 I CA -0.403 60.865 61.300 -0.054 0.000 1.224 252 I CB 1.028 38.982 38.000 -0.075 0.000 1.376 252 I HN 0.717 nan 8.210 nan 0.000 0.470 253 T N 2.915 117.527 114.554 0.098 0.000 2.868 253 T HA 0.259 4.609 4.350 0.000 0.000 0.292 253 T C 0.404 175.151 174.700 0.078 0.000 1.028 253 T CA -0.695 61.509 62.100 0.174 0.000 1.059 253 T CB 0.591 69.584 68.868 0.208 0.000 0.991 253 T HN 0.574 nan 8.240 nan 0.000 0.531 254 K N 0.190 120.670 120.400 0.133 0.000 3.689 254 K HA -0.105 4.215 4.320 0.000 0.000 0.276 254 K C -0.495 176.116 176.600 0.018 0.000 0.932 254 K CA -0.048 56.276 56.287 0.062 0.000 0.758 254 K CB -1.904 30.610 32.500 0.024 0.000 1.500 254 K HN 0.519 nan 8.250 nan 0.000 0.448 255 V N 3.011 122.938 119.914 0.022 0.000 2.446 255 V HA -0.022 4.099 4.120 0.000 0.000 0.276 255 V C 1.340 177.465 176.094 0.052 0.000 1.030 255 V CA 0.414 62.726 62.300 0.021 0.000 1.033 255 V CB 0.906 32.736 31.823 0.010 0.000 0.993 255 V HN 0.463 nan 8.190 nan 0.000 0.477 256 M N 2.786 122.417 119.600 0.053 0.000 2.296 256 M HA 0.186 4.667 4.480 0.000 0.000 0.291 256 M C 0.697 177.048 176.300 0.086 0.000 1.013 256 M CA 0.290 55.637 55.300 0.078 0.000 1.089 256 M CB 0.520 33.165 32.600 0.075 0.000 1.677 256 M HN 0.720 nan 8.290 nan 0.000 0.584 257 S N -0.336 115.405 115.700 0.068 0.000 2.726 257 S HA 0.537 5.008 4.470 0.000 0.000 0.308 257 S C 0.608 175.249 174.600 0.068 0.000 1.115 257 S CA -0.745 57.487 58.200 0.054 0.000 0.965 257 S CB 2.625 65.839 63.200 0.022 0.000 1.145 257 S HN 0.094 nan 8.310 nan 0.000 0.532 258 K N 0.524 120.915 120.400 -0.015 0.000 2.167 258 K HA 0.081 4.401 4.320 0.000 0.000 0.203 258 K C 2.182 178.719 176.600 -0.104 0.000 1.052 258 K CA 0.941 57.136 56.287 -0.153 0.000 0.956 258 K CB -0.309 31.850 32.500 -0.569 0.000 0.735 258 K HN 0.501 nan 8.250 nan 0.000 0.451 259 S N 0.883 116.538 115.700 -0.075 0.000 2.359 259 S HA -0.167 4.303 4.470 0.000 0.000 0.224 259 S C 2.118 176.721 174.600 0.005 0.000 1.035 259 S CA 1.943 60.119 58.200 -0.040 0.000 1.018 259 S CB -0.223 62.955 63.200 -0.036 0.000 0.876 259 S HN 0.476 nan 8.310 nan 0.000 0.448 260 S N 1.818 117.530 115.700 0.020 0.000 2.406 260 S HA 0.194 4.664 4.470 0.000 0.000 0.224 260 S C 2.048 176.673 174.600 0.042 0.000 1.030 260 S CA 0.704 58.916 58.200 0.021 0.000 0.958 260 S CB -0.500 62.706 63.200 0.011 0.000 0.811 260 S HN 0.466 nan 8.310 nan 0.000 0.489 261 A N 1.624 124.499 122.820 0.092 0.000 1.940 261 A HA -0.108 4.212 4.320 0.000 0.000 0.219 261 A C 2.160 179.823 177.584 0.132 0.000 1.176 261 A CA 1.946 54.061 52.037 0.131 0.000 0.631 261 A CB -0.767 18.393 19.000 0.267 0.000 0.814 261 A HN 0.566 nan 8.150 nan 0.000 0.446 262 E N -0.521 119.772 120.200 0.155 0.000 2.170 262 E HA -0.012 4.339 4.350 0.000 0.000 0.191 262 E C 1.815 178.444 176.600 0.049 0.000 0.981 262 E CA 0.926 57.402 56.400 0.127 0.000 0.830 262 E CB -0.237 29.537 29.700 0.123 0.000 0.775 262 E HN 0.244 nan 8.360 nan 0.000 0.470 263 V N 0.854 120.783 119.914 0.026 0.000 2.287 263 V HA -0.280 3.840 4.120 0.000 0.000 0.248 263 V C 2.304 178.391 176.094 -0.012 0.000 1.053 263 V CA 1.828 64.130 62.300 0.002 0.000 1.027 263 V CB -0.463 31.358 31.823 -0.003 0.000 0.646 263 V HN 0.295 nan 8.190 nan 0.000 0.447 264 I N 0.175 120.737 120.570 -0.013 0.000 2.090 264 I HA -0.242 3.928 4.170 0.000 0.000 0.236 264 I C 2.756 178.840 176.117 -0.054 0.000 1.064 264 I CA 1.523 62.797 61.300 -0.043 0.000 1.324 264 I CB -0.724 37.247 38.000 -0.049 0.000 1.044 264 I HN 0.284 nan 8.210 nan 0.000 0.399 265 A N 0.302 123.102 122.820 -0.034 0.000 1.896 265 A HA -0.322 3.998 4.320 0.000 0.000 0.220 265 A C 2.181 179.743 177.584 -0.035 0.000 1.206 265 A CA 1.969 53.984 52.037 -0.037 0.000 0.647 265 A CB -0.803 18.189 19.000 -0.014 0.000 0.828 265 A HN 0.489 nan 8.150 nan 0.000 0.455 266 Q N -0.917 118.873 119.800 -0.017 0.000 2.291 266 Q HA -0.037 4.303 4.340 0.000 0.000 0.206 266 Q C 2.204 178.181 176.000 -0.038 0.000 0.976 266 Q CA 1.406 57.196 55.803 -0.022 0.000 0.875 266 Q CB -0.644 28.088 28.738 -0.009 0.000 0.927 266 Q HN 0.738 nan 8.270 nan 0.000 0.450 267 A N 0.540 123.330 122.820 -0.051 0.000 1.984 267 A HA -0.042 4.278 4.320 0.000 0.000 0.214 267 A C 2.097 179.627 177.584 -0.089 0.000 1.173 267 A CA 0.359 52.357 52.037 -0.064 0.000 0.673 267 A CB -0.139 18.822 19.000 -0.066 0.000 0.830 267 A HN 0.186 nan 8.150 nan 0.000 0.453 268 R N 0.535 120.971 120.500 -0.106 0.000 2.096 268 R HA -0.164 4.176 4.340 0.000 0.000 0.235 268 R C 2.149 178.386 176.300 -0.105 0.000 1.127 268 R CA 1.734 57.755 56.100 -0.133 0.000 0.968 268 R CB -0.306 29.906 30.300 -0.147 0.000 0.861 268 R HN 0.761 nan 8.270 nan 0.000 0.440 269 K N 0.764 121.118 120.400 -0.078 0.000 2.167 269 K HA -0.048 4.272 4.320 0.000 0.000 0.203 269 K C 1.340 177.905 176.600 -0.058 0.000 1.052 269 K CA 1.027 57.276 56.287 -0.064 0.000 0.956 269 K CB 0.036 32.506 32.500 -0.049 0.000 0.735 269 K HN -0.020 nan 8.250 nan 0.000 0.451 270 K N 0.416 120.783 120.400 -0.056 0.000 2.555 270 K HA 0.031 4.352 4.320 0.000 0.000 0.193 270 K C 0.679 177.244 176.600 -0.059 0.000 1.032 270 K CA 0.628 56.885 56.287 -0.050 0.000 1.004 270 K CB 0.215 32.690 32.500 -0.043 0.000 0.804 270 K HN 0.610 nan 8.250 nan 0.000 0.496 271 G N 0.930 109.685 108.800 -0.076 0.000 2.213 271 G HA2 -0.229 3.732 3.960 0.000 0.000 0.226 271 G HA3 -0.229 3.732 3.960 0.000 0.000 0.226 271 G C 0.272 175.107 174.900 -0.108 0.000 0.992 271 G CA -0.082 44.966 45.100 -0.087 0.000 0.632 271 G HN 0.282 nan 8.290 nan 0.000 0.511 272 T N 1.618 116.106 114.554 -0.110 0.000 2.905 272 T HA 0.346 4.697 4.350 0.000 0.000 0.299 272 T C 0.834 175.422 174.700 -0.187 0.000 1.024 272 T CA 0.347 62.370 62.100 -0.128 0.000 1.151 272 T CB 1.943 70.744 68.868 -0.112 0.000 0.987 272 T HN 0.589 nan 8.240 nan 0.000 0.535 273 V N 5.300 125.103 119.914 -0.185 0.000 2.326 273 V HA 0.310 4.430 4.120 0.000 0.000 0.249 273 V C 0.252 176.199 176.094 -0.245 0.000 1.114 273 V CA -0.123 62.033 62.300 -0.241 0.000 1.028 273 V CB 0.069 31.783 31.823 -0.182 0.000 1.170 273 V HN 0.671 nan 8.190 nan 0.000 0.494 274 V N 6.390 126.057 119.914 -0.412 0.000 2.808 274 V HA 0.609 4.730 4.120 0.000 0.000 0.308 274 V C -1.564 174.173 176.094 -0.594 0.000 1.099 274 V CA -0.540 61.566 62.300 -0.323 0.000 0.920 274 V CB 2.412 34.117 31.823 -0.197 0.000 1.014 274 V HN 0.669 nan 8.190 nan 0.000 0.425 275 Y N 3.500 123.736 120.300 -0.107 0.000 2.446 275 Y HA 0.807 5.357 4.550 -0.000 0.000 0.338 275 Y C 0.771 176.477 175.900 -0.324 0.000 1.055 275 Y CA -0.244 57.750 58.100 -0.177 0.000 1.101 275 Y CB 2.380 40.763 38.460 -0.128 0.000 1.221 275 Y HN 0.758 nan 8.280 nan 0.000 0.460 276 G N 1.093 109.809 108.800 -0.139 0.000 2.415 276 G HA2 0.473 4.434 3.960 0.000 0.000 0.327 276 G HA3 0.473 4.434 3.960 0.000 0.000 0.327 276 G C -1.322 173.464 174.900 -0.190 0.000 1.182 276 G CA -0.661 44.328 45.100 -0.185 0.000 0.924 276 G HN 0.607 nan 8.290 nan 0.000 0.470 277 E N 3.150 123.232 120.200 -0.198 0.000 2.683 277 E HA 0.273 4.623 4.350 0.000 0.000 0.224 277 E C -2.444 174.167 176.600 0.018 0.000 1.046 277 E CA -1.984 54.374 56.400 -0.070 0.000 0.811 277 E CB 2.005 31.687 29.700 -0.030 0.000 1.296 277 E HN 0.303 nan 8.360 nan 0.000 0.421 278 P HA 0.154 nan 4.420 nan 0.000 0.274 278 P C 0.032 177.378 177.300 0.077 0.000 1.237 278 P CA -0.098 63.034 63.100 0.054 0.000 0.793 278 P CB 1.105 32.834 31.700 0.049 0.000 0.977 279 I N -2.637 117.986 120.570 0.089 0.000 3.170 279 I HA 0.422 4.592 4.170 0.000 0.000 0.312 279 I C 1.058 177.251 176.117 0.127 0.000 1.085 279 I CA -0.913 60.446 61.300 0.098 0.000 0.999 279 I CB 1.044 39.084 38.000 0.067 0.000 1.233 279 I HN 0.082 nan 8.210 nan 0.000 0.467 280 T N 1.340 115.985 114.554 0.151 0.000 2.746 280 T HA -0.148 4.202 4.350 0.000 0.000 0.267 280 T C 1.956 176.879 174.700 0.371 0.000 1.039 280 T CA 1.872 64.078 62.100 0.177 0.000 1.142 280 T CB -0.456 68.495 68.868 0.139 0.000 0.866 280 T HN 0.751 nan 8.240 nan 0.000 0.444 281 A N 2.466 125.536 122.820 0.416 0.000 1.859 281 A HA -0.223 4.097 4.320 0.000 0.000 0.218 281 A C 2.636 180.399 177.584 0.298 0.000 1.209 281 A CA 2.958 55.199 52.037 0.340 0.000 0.639 281 A CB -1.293 17.779 19.000 0.119 0.000 0.835 281 A HN 0.653 nan 8.150 nan 0.000 0.450 282 S N -0.254 115.572 115.700 0.209 0.000 2.402 282 S HA -0.028 4.442 4.470 0.000 0.000 0.229 282 S C 1.717 176.422 174.600 0.176 0.000 1.021 282 S CA 1.478 59.787 58.200 0.181 0.000 0.974 282 S CB -0.607 62.677 63.200 0.141 0.000 0.800 282 S HN 0.423 nan 8.310 nan 0.000 0.484 283 L N 0.689 122.010 121.223 0.163 0.000 2.395 283 L HA 0.235 4.576 4.340 0.000 0.000 0.218 283 L C 2.508 179.459 176.870 0.135 0.000 1.130 283 L CA 0.844 55.760 54.840 0.126 0.000 0.826 283 L CB -0.393 41.720 42.059 0.089 0.000 0.941 283 L HN 0.550 nan 8.230 nan 0.000 0.451 284 G N -2.107 106.816 108.800 0.206 0.000 2.780 284 G HA2 0.100 4.060 3.960 0.000 0.000 0.198 284 G HA3 0.100 4.060 3.960 0.000 0.000 0.198 284 G C 0.523 175.631 174.900 0.347 0.000 1.067 284 G CA 0.473 45.706 45.100 0.222 0.000 0.765 284 G HN 0.163 nan 8.290 nan 0.000 0.581 285 T N -0.201 114.598 114.554 0.407 0.000 2.669 285 T HA 0.542 4.892 4.350 0.000 0.000 0.283 285 T C -1.810 173.058 174.700 0.280 0.000 1.019 285 T CA 0.040 62.352 62.100 0.354 0.000 1.039 285 T CB 2.002 71.113 68.868 0.405 0.000 1.374 285 T HN 0.301 nan 8.240 nan 0.000 0.523 286 D N -1.592 118.970 120.400 0.271 0.000 2.732 286 D HA 0.499 5.139 4.640 0.000 0.000 0.292 286 D C 0.797 177.186 176.300 0.148 0.000 1.135 286 D CA -0.277 53.837 54.000 0.191 0.000 1.071 286 D CB 0.447 41.320 40.800 0.123 0.000 1.457 286 D HN 0.690 nan 8.370 nan 0.000 0.547 287 G N -1.291 107.586 108.800 0.129 0.000 3.042 287 G HA2 0.035 3.995 3.960 0.000 0.000 0.212 287 G HA3 0.035 3.995 3.960 0.000 0.000 0.212 287 G C 1.099 176.037 174.900 0.064 0.000 1.166 287 G CA 0.534 45.698 45.100 0.107 0.000 0.767 287 G HN 0.513 nan 8.290 nan 0.000 0.546 288 S N 0.573 116.239 115.700 -0.057 0.000 2.402 288 S HA -0.205 4.265 4.470 0.000 0.000 0.233 288 S C 1.792 176.272 174.600 -0.200 0.000 1.030 288 S CA 1.038 59.165 58.200 -0.122 0.000 1.003 288 S CB -0.664 62.341 63.200 -0.324 0.000 0.813 288 S HN 0.552 nan 8.310 nan 0.000 0.477 289 H N -0.445 118.410 119.070 -0.358 0.000 2.563 289 H HA 0.071 4.627 4.556 0.000 0.000 0.272 289 H C 0.892 175.919 175.328 -0.502 0.000 1.005 289 H CA 0.823 56.530 56.048 -0.569 0.000 1.171 289 H CB -0.349 28.687 29.762 -1.210 0.000 1.351 289 H HN 0.517 nan 8.280 nan 0.000 0.602 290 Y N -0.967 119.236 120.300 -0.161 0.000 2.509 290 Y HA -0.134 4.416 4.550 0.000 0.000 0.293 290 Y C 1.716 177.346 175.900 -0.451 0.000 1.133 290 Y CA 0.299 58.189 58.100 -0.350 0.000 1.283 290 Y CB -0.056 38.081 38.460 -0.538 0.000 1.001 290 Y HN 0.310 nan 8.280 nan 0.000 0.555 291 W N -0.359 120.914 121.300 -0.045 0.000 3.223 291 W HA 0.275 4.936 4.660 0.000 0.000 0.389 291 W C 0.837 177.313 176.519 -0.071 0.000 1.118 291 W CA -0.258 57.054 57.345 -0.055 0.000 1.902 291 W CB 0.023 29.449 29.460 -0.058 0.000 1.094 291 W HN -0.173 nan 8.180 nan 0.000 0.666 292 S N 1.296 117.030 115.700 0.058 0.000 2.573 292 S HA 0.010 4.481 4.470 0.000 0.000 0.277 292 S C 1.564 176.190 174.600 0.044 0.000 1.346 292 S CA 0.198 58.418 58.200 0.033 0.000 1.034 292 S CB 1.262 64.451 63.200 -0.018 0.000 0.879 292 S HN 0.033 nan 8.310 nan 0.000 0.528 293 K N 1.915 122.355 120.400 0.066 0.000 2.148 293 K HA -0.036 4.284 4.320 0.000 0.000 0.204 293 K C 0.582 177.240 176.600 0.097 0.000 1.050 293 K CA 0.496 56.832 56.287 0.081 0.000 0.942 293 K CB -0.499 32.047 32.500 0.077 0.000 0.724 293 K HN 0.669 nan 8.250 nan 0.000 0.446 294 N N 0.598 119.350 118.700 0.087 0.000 2.405 294 N HA -0.090 4.650 4.740 0.000 0.000 0.260 294 N C 0.571 176.134 175.510 0.088 0.000 1.152 294 N CA -0.005 53.114 53.050 0.115 0.000 0.948 294 N CB 0.160 38.723 38.487 0.126 0.000 1.111 294 N HN 0.095 nan 8.380 nan 0.000 0.485 295 W N 4.586 125.885 121.300 -0.002 0.000 2.335 295 W HA -0.194 4.467 4.660 0.001 0.000 0.311 295 W C 1.840 178.314 176.519 -0.075 0.000 1.213 295 W CA 2.463 59.794 57.345 -0.023 0.000 1.274 295 W CB -0.236 29.220 29.460 -0.006 0.000 1.148 295 W HN 0.719 nan 8.180 nan 0.000 0.498 296 A N -0.121 122.798 122.820 0.165 0.000 1.969 296 A HA -0.169 4.151 4.320 0.000 0.000 0.218 296 A C 1.953 179.153 177.584 -0.640 0.000 1.169 296 A CA 1.825 53.830 52.037 -0.053 0.000 0.635 296 A CB -0.838 18.224 19.000 0.102 0.000 0.810 296 A HN 0.394 nan 8.150 nan 0.000 0.445 297 K N -0.087 119.918 120.400 -0.659 0.000 2.002 297 K HA -0.071 4.250 4.320 0.000 0.000 0.209 297 K C 2.134 178.567 176.600 -0.278 0.000 1.048 297 K CA 1.304 57.229 56.287 -0.603 0.000 0.930 297 K CB -0.371 32.036 32.500 -0.155 0.000 0.714 297 K HN 0.316 nan 8.250 nan 0.000 0.438 298 A N 0.755 123.386 122.820 -0.316 0.000 1.972 298 A HA -0.089 4.231 4.320 0.000 0.000 0.219 298 A C 2.227 179.642 177.584 -0.281 0.000 1.169 298 A CA 1.890 53.745 52.037 -0.303 0.000 0.635 298 A CB -0.690 18.099 19.000 -0.352 0.000 0.810 298 A HN 0.505 nan 8.150 nan 0.000 0.446 299 A N -0.701 121.780 122.820 -0.566 0.000 2.123 299 A HA 0.413 4.733 4.320 0.000 0.000 0.214 299 A C 2.306 179.750 177.584 -0.234 0.000 1.152 299 A CA 1.303 52.998 52.037 -0.570 0.000 0.728 299 A CB -0.630 17.663 19.000 -1.178 0.000 0.814 299 A HN 0.897 nan 8.150 nan 0.000 0.464 300 A N -0.766 121.939 122.820 -0.191 0.000 1.933 300 A HA 0.005 4.326 4.320 0.000 0.000 0.218 300 A C 1.678 179.193 177.584 -0.114 0.000 1.175 300 A CA 1.248 53.209 52.037 -0.128 0.000 0.628 300 A CB -0.686 18.213 19.000 -0.168 0.000 0.814 300 A HN 0.446 nan 8.150 nan 0.000 0.444 301 F N -0.238 119.600 119.950 -0.188 0.000 2.699 301 F HA 0.067 4.594 4.527 0.000 0.000 0.298 301 F C 0.897 176.778 175.800 0.134 0.000 1.154 301 F CA 0.040 57.944 58.000 -0.161 0.000 1.457 301 F CB -0.240 38.449 39.000 -0.519 0.000 1.106 301 F HN -0.147 nan 8.300 nan 0.000 0.585 302 V N 0.940 121.007 119.914 0.256 0.000 2.421 302 V HA 0.187 4.307 4.120 0.000 0.000 0.271 302 V C 0.429 176.553 176.094 0.051 0.000 1.031 302 V CA 0.511 62.894 62.300 0.138 0.000 1.032 302 V CB 0.295 32.019 31.823 -0.165 0.000 1.009 302 V HN 0.216 nan 8.190 nan 0.000 0.477 303 T N 3.817 118.488 114.554 0.195 0.000 2.792 303 T HA 0.540 4.890 4.350 0.000 0.000 0.303 303 T C -0.996 173.947 174.700 0.405 0.000 1.310 303 T CA -0.400 61.831 62.100 0.219 0.000 1.007 303 T CB 2.035 70.999 68.868 0.159 0.000 1.335 303 T HN 0.483 nan 8.240 nan 0.000 0.504 304 S N 3.141 119.077 115.700 0.393 0.000 2.647 304 S HA 0.627 5.097 4.470 0.000 0.000 0.300 304 S C -2.784 172.009 174.600 0.321 0.000 1.129 304 S CA -0.911 57.537 58.200 0.413 0.000 1.029 304 S CB 1.774 65.296 63.200 0.537 0.000 1.007 304 S HN 0.558 nan 8.310 nan 0.000 0.484 305 P HA 0.299 nan 4.420 nan 0.000 0.272 305 P C -2.593 174.781 177.300 0.124 0.000 1.223 305 P CA -1.294 61.847 63.100 0.068 0.000 0.784 305 P CB -0.302 31.386 31.700 -0.019 0.000 0.923 306 P HA 0.103 nan 4.420 nan 0.000 0.276 306 P C -0.412 177.038 177.300 0.250 0.000 1.252 306 P CA -0.287 62.935 63.100 0.203 0.000 0.802 306 P CB 0.285 31.997 31.700 0.020 0.000 1.035 307 L N 0.581 122.039 121.223 0.392 0.000 2.559 307 L HA 0.011 4.351 4.340 0.000 0.000 0.274 307 L C 1.266 178.328 176.870 0.321 0.000 1.205 307 L CA 0.711 55.747 54.840 0.327 0.000 0.907 307 L CB -1.213 41.034 42.059 0.314 0.000 1.153 307 L HN 0.473 nan 8.230 nan 0.000 0.490 308 S N 5.605 121.429 115.700 0.207 0.000 2.533 308 S HA 0.172 4.642 4.470 0.000 0.000 0.282 308 S C -1.388 173.323 174.600 0.185 0.000 1.304 308 S CA -0.927 57.372 58.200 0.164 0.000 1.063 308 S CB 0.706 63.967 63.200 0.101 0.000 0.881 308 S HN 0.440 nan 8.310 nan 0.000 0.493 309 P HA 0.017 nan 4.420 nan 0.000 0.239 309 P C -0.216 177.116 177.300 0.053 0.000 1.184 309 P CA 0.375 63.577 63.100 0.171 0.000 0.760 309 P CB -0.052 31.774 31.700 0.210 0.000 0.884 310 D N 0.683 121.110 120.400 0.045 0.000 2.338 310 D HA 0.027 4.667 4.640 0.000 0.000 0.255 310 D C -1.348 174.966 176.300 0.023 0.000 1.237 310 D CA -2.113 51.892 54.000 0.008 0.000 0.883 310 D CB 0.904 41.700 40.800 -0.007 0.000 1.087 310 D HN 0.059 nan 8.370 nan 0.000 0.485 311 P HA -0.103 nan 4.420 nan 0.000 0.222 311 P C 1.155 178.482 177.300 0.044 0.000 1.147 311 P CA 0.999 64.113 63.100 0.023 0.000 0.790 311 P CB -0.103 31.595 31.700 -0.004 0.000 0.780 312 T N -5.124 109.450 114.554 0.034 0.000 3.118 312 T HA -0.007 4.344 4.350 0.000 0.000 0.260 312 T C 1.598 176.354 174.700 0.092 0.000 1.139 312 T CA 0.984 63.116 62.100 0.053 0.000 1.085 312 T CB -1.414 67.470 68.868 0.028 0.000 0.934 312 T HN -0.022 nan 8.240 nan 0.000 0.518 313 T N 3.193 117.800 114.554 0.087 0.000 2.635 313 T HA -0.047 4.304 4.350 0.000 0.000 0.267 313 T C -0.546 174.259 174.700 0.174 0.000 1.040 313 T CA 1.772 63.948 62.100 0.127 0.000 1.156 313 T CB -1.325 67.607 68.868 0.107 0.000 0.863 313 T HN 0.411 nan 8.240 nan 0.000 0.430 314 P HA -0.059 nan 4.420 nan 0.000 0.216 314 P C 1.011 178.387 177.300 0.126 0.000 1.150 314 P CA 1.112 64.297 63.100 0.141 0.000 0.837 314 P CB -0.097 31.685 31.700 0.137 0.000 0.786 315 D N -1.545 118.931 120.400 0.126 0.000 2.117 315 D HA -0.145 4.495 4.640 0.000 0.000 0.198 315 D C 1.732 178.105 176.300 0.121 0.000 0.982 315 D CA 0.917 54.979 54.000 0.103 0.000 0.828 315 D CB -0.977 39.879 40.800 0.094 0.000 0.967 315 D HN 0.101 nan 8.370 nan 0.000 0.464 316 F N 1.411 121.374 119.950 0.022 0.000 2.095 316 F HA -0.145 4.382 4.527 0.001 0.000 0.298 316 F C 2.176 177.986 175.800 0.016 0.000 1.104 316 F CA 1.232 59.241 58.000 0.015 0.000 1.232 316 F CB -0.283 38.726 39.000 0.015 0.000 0.987 316 F HN -0.112 nan 8.300 nan 0.000 0.475 317 L N -0.094 121.207 121.223 0.130 0.000 2.141 317 L HA -0.221 4.120 4.340 0.000 0.000 0.209 317 L C 2.140 178.983 176.870 -0.046 0.000 1.094 317 L CA 1.120 55.975 54.840 0.025 0.000 0.763 317 L CB -0.810 41.317 42.059 0.114 0.000 0.908 317 L HN 0.213 nan 8.230 nan 0.000 0.437 318 N N -0.569 118.123 118.700 -0.014 0.000 2.331 318 N HA -0.101 4.639 4.740 0.000 0.000 0.180 318 N C 1.942 177.408 175.510 -0.073 0.000 1.019 318 N CA 1.110 54.147 53.050 -0.022 0.000 0.881 318 N CB 0.135 38.628 38.487 0.010 0.000 0.972 318 N HN 0.230 nan 8.380 nan 0.000 0.435 319 S N 0.997 116.619 115.700 -0.129 0.000 2.371 319 S HA 0.015 4.486 4.470 0.000 0.000 0.224 319 S C 1.887 176.360 174.600 -0.211 0.000 1.029 319 S CA 0.508 58.607 58.200 -0.169 0.000 0.978 319 S CB 0.026 63.101 63.200 -0.208 0.000 0.833 319 S HN 0.112 nan 8.310 nan 0.000 0.466 320 L N 0.866 121.909 121.223 -0.300 0.000 2.217 320 L HA 0.123 4.463 4.340 0.000 0.000 0.211 320 L C 1.944 178.730 176.870 -0.141 0.000 1.107 320 L CA 0.875 55.557 54.840 -0.264 0.000 0.783 320 L CB -0.694 41.163 42.059 -0.338 0.000 0.919 320 L HN 0.241 nan 8.230 nan 0.000 0.442 321 L N -1.295 119.865 121.223 -0.105 0.000 2.056 321 L HA -0.118 4.223 4.340 0.000 0.000 0.207 321 L C 2.463 179.303 176.870 -0.051 0.000 1.078 321 L CA 1.540 56.345 54.840 -0.057 0.000 0.749 321 L CB -0.595 41.444 42.059 -0.033 0.000 0.901 321 L HN 0.187 nan 8.230 nan 0.000 0.433 322 S N -1.485 114.179 115.700 -0.061 0.000 2.406 322 S HA -0.161 4.310 4.470 0.000 0.000 0.228 322 S C 1.955 176.524 174.600 -0.052 0.000 1.020 322 S CA 1.103 59.273 58.200 -0.050 0.000 0.965 322 S CB -0.689 62.478 63.200 -0.056 0.000 0.798 322 S HN 0.766 nan 8.310 nan 0.000 0.488 323 C N 0.459 119.717 119.300 -0.070 0.000 2.696 323 C HA 0.667 5.127 4.460 0.000 0.000 0.264 323 C C 1.836 176.793 174.990 -0.054 0.000 1.288 323 C CA -0.077 58.903 59.018 -0.063 0.000 1.717 323 C CB -0.724 26.969 27.740 -0.079 0.000 1.893 323 C HN 0.601 nan 8.230 nan 0.000 0.577 324 G N 0.784 109.553 108.800 -0.053 0.000 2.184 324 G HA2 -0.182 3.778 3.960 0.000 0.000 0.206 324 G HA3 -0.182 3.778 3.960 0.000 0.000 0.206 324 G C 0.286 175.158 174.900 -0.047 0.000 0.995 324 G CA 0.454 45.533 45.100 -0.034 0.000 0.651 324 G HN 0.436 nan 8.290 nan 0.000 0.511 325 D N 0.133 120.491 120.400 -0.070 0.000 2.234 325 D HA 0.147 4.788 4.640 0.000 0.000 0.205 325 D C 1.319 177.575 176.300 -0.072 0.000 0.962 325 D CA 0.821 54.773 54.000 -0.080 0.000 0.855 325 D CB 0.278 41.024 40.800 -0.090 0.000 0.951 325 D HN 0.503 nan 8.370 nan 0.000 0.500 326 L N 0.319 121.507 121.223 -0.058 0.000 2.346 326 L HA 0.316 4.657 4.340 0.000 0.000 0.276 326 L C 0.552 177.418 176.870 -0.007 0.000 1.006 326 L CA -0.484 54.333 54.840 -0.038 0.000 0.817 326 L CB 2.215 44.250 42.059 -0.040 0.000 1.272 326 L HN -0.371 nan 8.230 nan 0.000 0.421 327 Q N 1.001 120.820 119.800 0.032 0.000 2.422 327 Q HA 0.190 4.530 4.340 0.000 0.000 0.255 327 Q C -0.104 175.925 176.000 0.048 0.000 0.864 327 Q CA 0.163 56.012 55.803 0.076 0.000 0.968 327 Q CB 1.136 30.008 28.738 0.223 0.000 1.130 327 Q HN 0.568 nan 8.270 nan 0.000 0.556 328 V N -1.497 118.445 119.914 0.046 0.000 2.960 328 V HA 0.953 5.074 4.120 0.000 0.000 0.315 328 V C -0.498 175.631 176.094 0.058 0.000 1.087 328 V CA -0.576 61.761 62.300 0.062 0.000 0.982 328 V CB 1.901 33.815 31.823 0.152 0.000 1.039 328 V HN 0.181 nan 8.190 nan 0.000 0.437 329 T N 0.060 114.653 114.554 0.066 0.000 2.886 329 T HA 0.908 5.258 4.350 0.000 0.000 0.292 329 T C -0.021 174.746 174.700 0.112 0.000 1.012 329 T CA 0.072 62.214 62.100 0.070 0.000 0.982 329 T CB 1.328 70.209 68.868 0.021 0.000 1.018 329 T HN 1.612 nan 8.240 nan 0.000 0.451 330 G N 0.278 109.163 108.800 0.143 0.000 3.222 330 G HA2 0.611 4.572 3.960 0.000 0.000 0.263 330 G HA3 0.611 4.572 3.960 0.000 0.000 0.263 330 G C 0.342 175.316 174.900 0.124 0.000 1.312 330 G CA -0.235 44.964 45.100 0.166 0.000 0.934 330 G HN 1.143 nan 8.290 nan 0.000 0.577 331 S N -2.434 113.332 115.700 0.112 0.000 2.619 331 S HA 0.444 4.914 4.470 0.000 0.000 0.238 331 S C 1.474 176.067 174.600 -0.011 0.000 1.068 331 S CA 1.429 59.687 58.200 0.098 0.000 0.926 331 S CB 0.458 63.758 63.200 0.167 0.000 0.864 331 S HN 2.436 nan 8.310 nan 0.000 0.493 332 A N 1.415 124.114 122.820 -0.202 0.000 2.745 332 A HA -0.270 4.050 4.320 0.000 0.000 0.296 332 A C 0.181 177.680 177.584 -0.142 0.000 1.500 332 A CA 1.151 52.865 52.037 -0.539 0.000 0.766 332 A CB -2.911 15.671 19.000 -0.697 0.000 1.030 332 A HN 0.937 nan 8.150 nan 0.000 0.489 333 H N -0.867 118.139 119.070 -0.106 0.000 3.145 333 H HA 0.386 4.942 4.556 0.001 0.000 0.263 333 H C 0.226 175.543 175.328 -0.019 0.000 1.057 333 H CA 1.108 57.148 56.048 -0.015 0.000 1.477 333 H CB 0.308 30.125 29.762 0.091 0.000 1.529 333 H HN 0.719 nan 8.280 nan 0.000 0.508 334 C N 6.690 125.891 119.300 -0.165 0.000 3.287 334 C HA 0.277 4.738 4.460 0.000 0.000 0.260 334 C C -0.084 174.805 174.990 -0.168 0.000 1.133 334 C CA -0.264 58.714 59.018 -0.068 0.000 1.402 334 C CB -1.538 26.266 27.740 0.108 0.000 1.832 334 C HN 0.982 nan 8.230 nan 0.000 0.509 335 T N 0.781 115.113 114.554 -0.369 0.000 2.856 335 T HA 0.721 5.072 4.350 0.000 0.000 0.292 335 T C -0.791 173.558 174.700 -0.584 0.000 0.980 335 T CA -0.184 61.704 62.100 -0.353 0.000 1.091 335 T CB 0.916 69.596 68.868 -0.314 0.000 0.936 335 T HN 0.391 nan 8.240 nan 0.000 0.503 336 F N 2.744 122.661 119.950 -0.054 0.000 2.536 336 F HA 0.369 4.897 4.527 0.000 0.000 0.322 336 F C 0.553 176.358 175.800 0.007 0.000 1.144 336 F CA -1.284 56.707 58.000 -0.016 0.000 0.924 336 F CB 1.458 40.455 39.000 -0.005 0.000 1.181 336 F HN 0.740 nan 8.300 nan 0.000 0.438 337 N N 0.016 118.804 118.700 0.146 0.000 2.235 337 N HA 0.021 4.761 4.740 0.000 0.000 0.231 337 N C 0.796 176.411 175.510 0.175 0.000 1.330 337 N CA 0.077 53.208 53.050 0.136 0.000 0.898 337 N CB -0.014 38.532 38.487 0.098 0.000 1.151 337 N HN 0.552 nan 8.380 nan 0.000 0.472 338 T N -1.235 113.431 114.554 0.187 0.000 2.915 338 T HA -0.003 4.347 4.350 0.000 0.000 0.269 338 T C 1.700 176.509 174.700 0.181 0.000 1.071 338 T CA 1.238 63.465 62.100 0.211 0.000 1.132 338 T CB -0.532 68.490 68.868 0.257 0.000 0.878 338 T HN 0.682 nan 8.240 nan 0.000 0.479 339 A N 1.530 124.433 122.820 0.138 0.000 1.929 339 A HA -0.093 4.228 4.320 0.000 0.000 0.216 339 A C 2.317 179.962 177.584 0.101 0.000 1.176 339 A CA 1.121 53.217 52.037 0.099 0.000 0.628 339 A CB -0.482 18.563 19.000 0.075 0.000 0.816 339 A HN 0.496 nan 8.150 nan 0.000 0.444 340 Q N -0.292 119.587 119.800 0.132 0.000 2.046 340 Q HA -0.124 4.216 4.340 0.000 0.000 0.200 340 Q C 1.968 178.037 176.000 0.115 0.000 0.975 340 Q CA 1.288 57.176 55.803 0.142 0.000 0.836 340 Q CB -0.154 28.741 28.738 0.261 0.000 0.896 340 Q HN 0.388 nan 8.270 nan 0.000 0.428 341 K N 0.680 121.176 120.400 0.158 0.000 2.074 341 K HA -0.134 4.186 4.320 0.000 0.000 0.209 341 K C 1.879 178.646 176.600 0.279 0.000 1.048 341 K CA 1.396 57.789 56.287 0.177 0.000 0.926 341 K CB -0.415 32.199 32.500 0.190 0.000 0.713 341 K HN 0.190 nan 8.250 nan 0.000 0.444 342 A N 1.119 124.075 122.820 0.228 0.000 2.239 342 A HA -0.008 4.312 4.320 0.000 0.000 0.209 342 A C 2.210 179.776 177.584 -0.030 0.000 1.171 342 A CA 0.519 52.600 52.037 0.074 0.000 0.768 342 A CB -0.484 18.502 19.000 -0.022 0.000 0.790 342 A HN 0.050 nan 8.150 nan 0.000 0.478 343 V N -0.373 119.556 119.914 0.025 0.000 2.453 343 V HA -0.207 3.913 4.120 0.000 0.000 0.252 343 V C 2.188 178.279 176.094 -0.005 0.000 1.068 343 V CA 1.896 64.192 62.300 -0.007 0.000 1.070 343 V CB -0.880 30.939 31.823 -0.006 0.000 0.664 343 V HN 0.628 nan 8.190 nan 0.000 0.461 344 G N 0.126 108.970 108.800 0.073 0.000 3.605 344 G HA2 0.098 4.058 3.960 0.000 0.000 0.277 344 G HA3 0.098 4.058 3.960 0.000 0.000 0.277 344 G C 1.222 176.251 174.900 0.215 0.000 1.093 344 G CA 0.259 45.429 45.100 0.118 0.000 0.821 344 G HN 0.637 nan 8.290 nan 0.000 0.532 345 K N -0.158 120.179 120.400 -0.106 0.000 2.113 345 K HA -0.105 4.215 4.320 0.000 0.000 0.208 345 K C 0.782 177.285 176.600 -0.162 0.000 1.047 345 K CA 1.669 57.607 56.287 -0.580 0.000 0.928 345 K CB 0.067 31.995 32.500 -0.954 0.000 0.716 345 K HN 0.075 nan 8.250 nan 0.000 0.446 346 D N -0.209 120.149 120.400 -0.070 0.000 2.407 346 D HA 0.040 4.680 4.640 0.000 0.000 0.208 346 D C -0.406 175.917 176.300 0.038 0.000 1.083 346 D CA 0.149 54.145 54.000 -0.006 0.000 0.844 346 D CB 0.307 41.080 40.800 -0.045 0.000 0.967 346 D HN 0.154 nan 8.370 nan 0.000 0.506 347 N N 0.828 119.552 118.700 0.039 0.000 2.577 347 N HA 0.010 4.750 4.740 0.000 0.000 0.275 347 N C 0.618 176.110 175.510 -0.029 0.000 1.091 347 N CA -0.505 52.524 53.050 -0.034 0.000 0.843 347 N CB 0.605 39.029 38.487 -0.106 0.000 1.295 347 N HN -0.152 nan 8.380 nan 0.000 0.530 348 F N 1.800 121.792 119.950 0.070 0.000 2.202 348 F HA -0.090 4.438 4.527 0.000 0.000 0.301 348 F C 2.035 177.848 175.800 0.021 0.000 1.082 348 F CA 1.394 59.426 58.000 0.054 0.000 1.313 348 F CB -1.174 37.840 39.000 0.024 0.000 1.024 348 F HN 0.380 nan 8.300 nan 0.000 0.495 349 T N -1.550 112.596 114.554 -0.679 0.000 3.155 349 T HA 0.030 4.380 4.350 0.000 0.000 0.264 349 T C 1.291 175.897 174.700 -0.157 0.000 1.160 349 T CA 1.019 62.904 62.100 -0.358 0.000 1.075 349 T CB -0.730 67.868 68.868 -0.450 0.000 0.921 349 T HN 0.549 nan 8.240 nan 0.000 0.533 350 L N -0.211 120.939 121.223 -0.120 0.000 2.766 350 L HA 0.469 4.810 4.340 0.000 0.000 0.242 350 L C 0.468 177.305 176.870 -0.055 0.000 1.136 350 L CA -0.381 54.411 54.840 -0.080 0.000 0.933 350 L CB 0.124 42.143 42.059 -0.067 0.000 1.241 350 L HN 0.257 nan 8.230 nan 0.000 0.522 351 I N 3.440 123.993 120.570 -0.028 0.000 2.598 351 I HA 0.061 4.231 4.170 0.000 0.000 0.284 351 I C -1.787 174.233 176.117 -0.161 0.000 1.140 351 I CA -1.540 59.740 61.300 -0.033 0.000 1.420 351 I CB 0.388 38.379 38.000 -0.016 0.000 1.387 351 I HN -0.152 nan 8.210 nan 0.000 0.553 352 P HA 0.108 nan 4.420 nan 0.000 0.271 352 P C -0.858 176.155 177.300 -0.480 0.000 1.226 352 P CA -0.142 62.622 63.100 -0.559 0.000 0.765 352 P CB 0.477 31.539 31.700 -1.064 0.000 0.835 353 E N 1.647 121.663 120.200 -0.306 0.000 2.331 353 E HA 0.609 4.959 4.350 0.000 0.000 0.272 353 E C 0.594 177.240 176.600 0.076 0.000 1.036 353 E CA -0.188 56.164 56.400 -0.080 0.000 0.864 353 E CB 0.672 30.402 29.700 0.051 0.000 1.035 353 E HN 0.720 nan 8.360 nan 0.000 0.408 354 G N 0.656 109.528 108.800 0.120 0.000 2.333 354 G HA2 0.283 4.243 3.960 0.000 0.000 0.330 354 G HA3 0.283 4.243 3.960 0.000 0.000 0.330 354 G C -0.918 174.005 174.900 0.038 0.000 1.465 354 G CA -0.446 44.744 45.100 0.149 0.000 0.996 354 G HN 0.521 nan 8.290 nan 0.000 0.655 355 T N -0.418 114.092 114.554 -0.073 0.000 2.700 355 T HA 0.639 4.989 4.350 0.000 0.000 0.300 355 T C -0.390 174.134 174.700 -0.294 0.000 1.262 355 T CA -0.095 61.893 62.100 -0.186 0.000 1.010 355 T CB 1.281 70.014 68.868 -0.224 0.000 1.463 355 T HN 1.137 nan 8.240 nan 0.000 0.501 356 N N -0.165 118.371 118.700 -0.272 0.000 2.413 356 N HA 0.545 5.285 4.740 0.000 0.000 0.266 356 N C 0.598 176.228 175.510 0.200 0.000 1.238 356 N CA 0.162 53.109 53.050 -0.172 0.000 0.972 356 N CB 1.382 39.868 38.487 -0.003 0.000 1.210 356 N HN 0.975 nan 8.380 nan 0.000 0.547 357 G N -1.792 107.330 108.800 0.537 0.000 3.990 357 G HA2 -0.182 3.779 3.960 0.000 0.000 0.213 357 G HA3 -0.182 3.779 3.960 0.000 0.000 0.213 357 G C 0.789 175.866 174.900 0.294 0.000 0.849 357 G CA 0.361 45.722 45.100 0.435 0.000 0.857 357 G HN 0.621 nan 8.290 nan 0.000 0.484 358 T N 0.337 115.052 114.554 0.267 0.000 2.904 358 T HA 0.010 4.360 4.350 0.000 0.000 0.267 358 T C 1.851 176.575 174.700 0.039 0.000 1.059 358 T CA 2.146 64.286 62.100 0.066 0.000 1.137 358 T CB 0.022 68.856 68.868 -0.058 0.000 0.879 358 T HN 0.450 nan 8.240 nan 0.000 0.467 359 E N -0.266 119.956 120.200 0.035 0.000 2.112 359 E HA -0.085 4.265 4.350 0.000 0.000 0.190 359 E C 1.841 178.487 176.600 0.075 0.000 0.979 359 E CA 0.926 57.350 56.400 0.040 0.000 0.814 359 E CB 0.148 29.871 29.700 0.038 0.000 0.762 359 E HN 0.453 nan 8.360 nan 0.000 0.460 360 E N 0.122 120.372 120.200 0.083 0.000 2.299 360 E HA -0.032 4.318 4.350 0.000 0.000 0.193 360 E C 1.738 178.333 176.600 -0.009 0.000 0.998 360 E CA 0.156 56.558 56.400 0.003 0.000 0.851 360 E CB -0.043 29.566 29.700 -0.151 0.000 0.795 360 E HN 0.116 nan 8.360 nan 0.000 0.492 361 R N 0.683 121.204 120.500 0.035 0.000 2.136 361 R HA -0.252 4.089 4.340 0.000 0.000 0.242 361 R C 2.021 178.386 176.300 0.109 0.000 1.131 361 R CA 2.297 58.426 56.100 0.049 0.000 0.937 361 R CB -0.229 30.110 30.300 0.065 0.000 0.863 361 R HN 0.195 nan 8.270 nan 0.000 0.435 362 M N -0.413 119.287 119.600 0.167 0.000 2.086 362 M HA -0.152 4.328 4.480 0.000 0.000 0.261 362 M C 2.455 179.070 176.300 0.526 0.000 1.067 362 M CA 1.870 57.349 55.300 0.299 0.000 1.116 362 M CB -0.133 32.611 32.600 0.241 0.000 1.348 362 M HN 0.186 nan 8.290 nan 0.000 0.407 363 S N 0.233 116.221 115.700 0.480 0.000 2.370 363 S HA -0.134 4.336 4.470 0.000 0.000 0.226 363 S C 1.943 176.716 174.600 0.289 0.000 1.033 363 S CA 1.416 59.861 58.200 0.408 0.000 1.011 363 S CB -0.456 62.860 63.200 0.193 0.000 0.852 363 S HN 0.254 nan 8.310 nan 0.000 0.457 364 V N 1.756 121.754 119.914 0.140 0.000 2.343 364 V HA -0.147 3.974 4.120 0.000 0.000 0.247 364 V C 2.007 178.192 176.094 0.151 0.000 1.051 364 V CA 1.498 63.827 62.300 0.047 0.000 1.036 364 V CB -0.611 31.111 31.823 -0.169 0.000 0.654 364 V HN 0.444 nan 8.190 nan 0.000 0.451 365 I N -1.084 119.632 120.570 0.243 0.000 2.252 365 I HA -0.261 3.909 4.170 0.000 0.000 0.245 365 I C 2.384 178.698 176.117 0.328 0.000 1.102 365 I CA 1.721 63.190 61.300 0.282 0.000 1.385 365 I CB -0.412 37.779 38.000 0.319 0.000 1.064 365 I HN 0.488 nan 8.210 nan 0.000 0.414 366 W N 2.383 123.821 121.300 0.231 0.000 2.335 366 W HA -0.291 4.369 4.660 -0.000 0.000 0.311 366 W C 2.114 178.650 176.519 0.028 0.000 1.213 366 W CA 2.440 59.768 57.345 -0.029 0.000 1.274 366 W CB -0.376 29.050 29.460 -0.057 0.000 1.148 366 W HN 0.257 nan 8.180 nan 0.000 0.498 367 D N -0.002 120.540 120.400 0.238 0.000 2.084 367 D HA -0.208 4.432 4.640 0.000 0.000 0.194 367 D C 2.104 178.412 176.300 0.014 0.000 0.990 367 D CA 2.028 56.100 54.000 0.121 0.000 0.826 367 D CB -0.065 40.823 40.800 0.147 0.000 0.971 367 D HN -0.112 nan 8.370 nan 0.000 0.453 368 K N -0.453 119.967 120.400 0.033 0.000 2.361 368 K HA 0.218 4.538 4.320 0.000 0.000 0.196 368 K C 1.333 177.921 176.600 -0.019 0.000 1.039 368 K CA 0.645 56.942 56.287 0.017 0.000 1.001 368 K CB 0.889 33.417 32.500 0.047 0.000 0.795 368 K HN 0.199 nan 8.250 nan 0.000 0.495 369 A N 0.324 123.116 122.820 -0.048 0.000 1.988 369 A HA 0.094 4.414 4.320 0.000 0.000 0.201 369 A C 2.156 179.636 177.584 -0.174 0.000 1.410 369 A CA 0.133 52.128 52.037 -0.070 0.000 0.832 369 A CB 0.036 19.032 19.000 -0.006 0.000 0.981 369 A HN -0.024 nan 8.150 nan 0.000 0.492 370 V N -0.269 119.439 119.914 -0.342 0.000 2.374 370 V HA -0.098 4.022 4.120 0.000 0.000 0.241 370 V C 2.454 178.214 176.094 -0.556 0.000 1.034 370 V CA 1.653 63.583 62.300 -0.616 0.000 1.037 370 V CB -0.639 30.398 31.823 -1.309 0.000 0.682 370 V HN 0.254 nan 8.190 nan 0.000 0.463 371 V N 1.552 121.150 119.914 -0.527 0.000 2.392 371 V HA -0.250 3.870 4.120 0.000 0.000 0.249 371 V C 2.769 178.770 176.094 -0.155 0.000 1.059 371 V CA 2.533 64.671 62.300 -0.269 0.000 1.051 371 V CB -1.237 30.519 31.823 -0.110 0.000 0.658 371 V HN 0.827 nan 8.190 nan 0.000 0.455 372 T N -2.360 112.110 114.554 -0.139 0.000 3.051 372 T HA 0.128 4.478 4.350 0.000 0.000 0.269 372 T C 1.657 176.306 174.700 -0.085 0.000 1.127 372 T CA 1.064 63.113 62.100 -0.084 0.000 1.107 372 T CB 0.061 68.893 68.868 -0.059 0.000 0.898 372 T HN 0.983 nan 8.240 nan 0.000 0.517 373 G N 1.513 110.240 108.800 -0.122 0.000 2.179 373 G HA2 -0.316 3.644 3.960 0.000 0.000 0.260 373 G HA3 -0.316 3.644 3.960 0.000 0.000 0.260 373 G C 0.862 175.710 174.900 -0.086 0.000 0.977 373 G CA 0.459 45.499 45.100 -0.100 0.000 0.641 373 G HN 0.548 nan 8.290 nan 0.000 0.533 374 K N -0.535 119.813 120.400 -0.087 0.000 2.209 374 K HA 0.128 4.448 4.320 0.000 0.000 0.204 374 K C 1.467 178.025 176.600 -0.070 0.000 1.048 374 K CA 1.540 57.786 56.287 -0.070 0.000 0.940 374 K CB -0.067 32.395 32.500 -0.063 0.000 0.729 374 K HN 0.780 nan 8.250 nan 0.000 0.451 375 M N -0.279 119.266 119.600 -0.091 0.000 2.721 375 M HA 0.263 4.743 4.480 0.000 0.000 0.271 375 M C -2.155 174.081 176.300 -0.107 0.000 1.259 375 M CA -1.121 54.135 55.300 -0.073 0.000 0.835 375 M CB 2.333 34.909 32.600 -0.040 0.000 1.689 375 M HN -0.174 nan 8.290 nan 0.000 0.470 376 D N -0.182 120.181 120.400 -0.062 0.000 2.392 376 D HA 0.272 4.912 4.640 0.000 0.000 0.246 376 D C 0.521 176.818 176.300 -0.006 0.000 1.013 376 D CA -0.190 53.770 54.000 -0.066 0.000 0.993 376 D CB 0.879 41.664 40.800 -0.025 0.000 1.219 376 D HN 0.874 nan 8.370 nan 0.000 0.538 377 E N 0.707 120.919 120.200 0.020 0.000 2.187 377 E HA -0.343 4.008 4.350 0.000 0.000 0.199 377 E C 0.752 177.472 176.600 0.200 0.000 1.004 377 E CA 1.603 58.113 56.400 0.184 0.000 0.813 377 E CB -0.586 29.265 29.700 0.252 0.000 0.736 377 E HN 0.467 nan 8.360 nan 0.000 0.468 378 N N 0.175 118.945 118.700 0.116 0.000 2.216 378 N HA -0.102 4.638 4.740 0.000 0.000 0.183 378 N C 1.784 177.341 175.510 0.079 0.000 1.017 378 N CA 1.034 54.140 53.050 0.092 0.000 0.861 378 N CB 0.001 38.528 38.487 0.065 0.000 0.986 378 N HN 0.071 nan 8.380 nan 0.000 0.428 379 Q N -0.150 119.693 119.800 0.073 0.000 2.172 379 Q HA 0.015 4.355 4.340 0.000 0.000 0.200 379 Q C 1.660 177.696 176.000 0.060 0.000 0.964 379 Q CA 0.628 56.458 55.803 0.046 0.000 0.855 379 Q CB -0.389 28.364 28.738 0.025 0.000 0.918 379 Q HN 0.409 nan 8.270 nan 0.000 0.444 380 F N 0.850 120.784 119.950 -0.026 0.000 2.120 380 F HA -0.237 4.290 4.527 0.000 0.000 0.300 380 F C 1.993 177.772 175.800 -0.035 0.000 1.095 380 F CA 1.151 59.141 58.000 -0.017 0.000 1.249 380 F CB -0.233 38.800 39.000 0.054 0.000 0.995 380 F HN -0.155 nan 8.300 nan 0.000 0.480 381 V N 0.473 120.394 119.914 0.012 0.000 2.469 381 V HA -0.319 3.801 4.120 0.000 0.000 0.251 381 V C 2.678 178.687 176.094 -0.142 0.000 1.064 381 V CA 1.741 63.980 62.300 -0.102 0.000 1.066 381 V CB -1.631 30.199 31.823 0.012 0.000 0.667 381 V HN 0.519 nan 8.190 nan 0.000 0.461 382 A N 0.305 123.065 122.820 -0.099 0.000 1.930 382 A HA -0.059 4.262 4.320 0.000 0.000 0.215 382 A C 2.201 179.710 177.584 -0.124 0.000 1.176 382 A CA 1.660 53.636 52.037 -0.102 0.000 0.632 382 A CB -0.396 18.566 19.000 -0.063 0.000 0.819 382 A HN 0.707 nan 8.150 nan 0.000 0.445 383 V N -2.269 117.556 119.914 -0.148 0.000 3.649 383 V HA 0.072 4.192 4.120 0.000 0.000 0.275 383 V C 1.589 177.561 176.094 -0.203 0.000 1.281 383 V CA 1.791 64.011 62.300 -0.134 0.000 1.143 383 V CB -0.790 30.981 31.823 -0.087 0.000 0.892 383 V HN 0.620 nan 8.190 nan 0.000 0.441 384 T N -2.473 111.888 114.554 -0.322 0.000 2.999 384 T HA 0.187 4.537 4.350 0.000 0.000 0.247 384 T C 1.575 176.155 174.700 -0.199 0.000 1.012 384 T CA 1.107 62.997 62.100 -0.350 0.000 1.048 384 T CB 0.267 68.717 68.868 -0.696 0.000 1.020 384 T HN 0.736 nan 8.240 nan 0.000 0.478 385 S N 0.219 115.818 115.700 -0.167 0.000 3.448 385 S HA 0.105 4.576 4.470 0.000 0.000 0.254 385 S C 1.937 176.492 174.600 -0.076 0.000 1.102 385 S CA 0.591 58.737 58.200 -0.089 0.000 0.797 385 S CB -0.422 62.736 63.200 -0.071 0.000 0.891 385 S HN 0.319 nan 8.310 nan 0.000 0.474 386 T N 3.607 118.104 114.554 -0.096 0.000 2.708 386 T HA -0.041 4.309 4.350 0.000 0.000 0.266 386 T C 1.610 176.152 174.700 -0.264 0.000 1.037 386 T CA 1.837 63.860 62.100 -0.128 0.000 1.146 386 T CB -0.649 68.135 68.868 -0.140 0.000 0.865 386 T HN 0.357 nan 8.240 nan 0.000 0.435 387 N N 1.672 120.220 118.700 -0.255 0.000 2.120 387 N HA 0.022 4.762 4.740 0.000 0.000 0.188 387 N C 2.148 177.474 175.510 -0.307 0.000 1.024 387 N CA 1.322 54.162 53.050 -0.349 0.000 0.852 387 N CB -0.727 37.656 38.487 -0.173 0.000 1.003 387 N HN 0.468 nan 8.380 nan 0.000 0.424 388 A N 0.940 123.691 122.820 -0.115 0.000 1.933 388 A HA 0.003 4.323 4.320 0.000 0.000 0.218 388 A C 2.361 179.969 177.584 0.039 0.000 1.175 388 A CA 1.926 53.991 52.037 0.047 0.000 0.628 388 A CB -0.871 18.224 19.000 0.158 0.000 0.814 388 A HN 0.316 nan 8.150 nan 0.000 0.444 389 A N -0.013 122.783 122.820 -0.040 0.000 1.865 389 A HA -0.207 4.113 4.320 0.000 0.000 0.217 389 A C 2.129 179.654 177.584 -0.097 0.000 1.191 389 A CA 1.957 53.990 52.037 -0.006 0.000 0.623 389 A CB -0.483 18.544 19.000 0.044 0.000 0.826 389 A HN 0.553 nan 8.150 nan 0.000 0.444 390 K N -0.569 119.614 120.400 -0.362 0.000 2.097 390 K HA -0.027 4.293 4.320 0.000 0.000 0.205 390 K C 1.821 178.166 176.600 -0.426 0.000 1.050 390 K CA 1.247 57.198 56.287 -0.560 0.000 0.938 390 K CB -0.336 31.362 32.500 -1.337 0.000 0.718 390 K HN 0.287 nan 8.250 nan 0.000 0.442 391 V N 0.573 120.178 119.914 -0.515 0.000 2.407 391 V HA -0.196 3.924 4.120 0.000 0.000 0.248 391 V C 1.291 176.994 176.094 -0.652 0.000 1.055 391 V CA 1.653 63.582 62.300 -0.618 0.000 1.049 391 V CB -0.361 30.876 31.823 -0.977 0.000 0.662 391 V HN 0.194 nan 8.190 nan 0.000 0.455 392 F N -0.663 119.235 119.950 -0.087 0.000 2.654 392 F HA 0.419 4.946 4.527 0.001 0.000 0.303 392 F C 1.080 176.845 175.800 -0.058 0.000 1.099 392 F CA -0.458 57.499 58.000 -0.073 0.000 1.270 392 F CB -0.394 38.548 39.000 -0.097 0.000 1.024 392 F HN 0.104 nan 8.300 nan 0.000 0.548 393 N N 1.104 119.847 118.700 0.071 0.000 2.783 393 N HA -0.182 4.558 4.740 0.000 0.000 0.247 393 N C -0.278 175.263 175.510 0.052 0.000 1.089 393 N CA 0.436 53.526 53.050 0.067 0.000 0.690 393 N CB -1.404 37.121 38.487 0.064 0.000 0.991 393 N HN 0.386 nan 8.380 nan 0.000 0.552 394 L N -0.551 120.707 121.223 0.059 0.000 3.168 394 L HA 0.294 4.634 4.340 0.000 0.000 0.277 394 L C -0.068 176.840 176.870 0.063 0.000 1.245 394 L CA -0.410 54.448 54.840 0.030 0.000 1.035 394 L CB 0.162 42.222 42.059 0.002 0.000 1.399 394 L HN 0.219 nan 8.230 nan 0.000 0.580 395 Y N 1.682 121.951 120.300 -0.053 0.000 2.360 395 Y HA 0.488 5.038 4.550 -0.001 0.000 0.337 395 Y C -1.782 174.097 175.900 -0.035 0.000 1.039 395 Y CA -1.975 56.090 58.100 -0.058 0.000 1.109 395 Y CB 1.535 39.937 38.460 -0.096 0.000 1.201 395 Y HN -0.052 nan 8.280 nan 0.000 0.458 396 P HA 0.164 nan 4.420 nan 0.000 0.257 396 P C 1.164 178.290 177.300 -0.290 0.000 1.281 396 P CA 0.194 62.819 63.100 -0.792 0.000 0.826 396 P CB 0.200 31.393 31.700 -0.845 0.000 1.237 397 R N 0.801 121.205 120.500 -0.159 0.000 2.112 397 R HA -0.114 4.226 4.340 0.000 0.000 0.242 397 R C 0.514 176.776 176.300 -0.064 0.000 1.137 397 R CA 1.393 57.438 56.100 -0.093 0.000 0.944 397 R CB 0.018 30.277 30.300 -0.068 0.000 0.857 397 R HN 0.029 nan 8.270 nan 0.000 0.435 398 K N -1.376 119.005 120.400 -0.032 0.000 2.210 398 K HA 0.258 4.578 4.320 0.000 0.000 0.236 398 K C 0.386 177.012 176.600 0.043 0.000 1.016 398 K CA 0.054 56.339 56.287 -0.003 0.000 0.913 398 K CB 0.946 33.444 32.500 -0.003 0.000 1.141 398 K HN 0.383 nan 8.250 nan 0.000 0.462 399 G N 0.865 109.687 108.800 0.037 0.000 2.203 399 G HA2 -0.322 3.638 3.960 0.000 0.000 0.263 399 G HA3 -0.322 3.638 3.960 0.000 0.000 0.263 399 G C 0.084 175.046 174.900 0.104 0.000 1.012 399 G CA 1.165 46.301 45.100 0.060 0.000 0.749 399 G HN 0.544 nan 8.290 nan 0.000 0.512 400 R N -0.927 119.609 120.500 0.060 0.000 2.563 400 R HA 0.461 4.802 4.340 0.000 0.000 0.262 400 R C -0.758 175.553 176.300 0.017 0.000 1.128 400 R CA -1.095 55.042 56.100 0.062 0.000 0.969 400 R CB 0.765 31.101 30.300 0.061 0.000 1.251 400 R HN 0.112 nan 8.270 nan 0.000 0.442 401 I N 4.024 124.615 120.570 0.036 0.000 2.294 401 I HA 0.423 4.593 4.170 0.000 0.000 0.295 401 I C -0.208 175.946 176.117 0.062 0.000 1.098 401 I CA -0.045 61.273 61.300 0.029 0.000 1.277 401 I CB 1.181 39.188 38.000 0.011 0.000 1.434 401 I HN 0.643 nan 8.210 nan 0.000 0.498 402 A N 5.469 128.306 122.820 0.027 0.000 2.517 402 A HA 0.541 4.862 4.320 0.000 0.000 0.297 402 A C -0.587 177.002 177.584 0.009 0.000 1.050 402 A CA -0.524 51.530 52.037 0.028 0.000 0.694 402 A CB 1.363 20.351 19.000 -0.020 0.000 1.277 402 A HN 0.250 nan 8.150 nan 0.000 0.400 403 V N 1.926 121.855 119.914 0.025 0.000 2.681 403 V HA 0.306 4.426 4.120 0.000 0.000 0.306 403 V C 1.697 177.783 176.094 -0.013 0.000 1.077 403 V CA 2.543 64.851 62.300 0.015 0.000 1.224 403 V CB 0.431 32.271 31.823 0.030 0.000 0.879 403 V HN 2.385 nan 8.190 nan 0.000 0.494 404 G N 3.685 112.472 108.800 -0.021 0.000 2.195 404 G HA2 -0.242 3.718 3.960 0.000 0.000 0.246 404 G HA3 -0.242 3.718 3.960 0.000 0.000 0.246 404 G C 0.424 175.294 174.900 -0.051 0.000 0.984 404 G CA 0.221 45.300 45.100 -0.034 0.000 0.633 404 G HN 0.775 nan 8.290 nan 0.000 0.525 405 S N 0.805 116.473 115.700 -0.053 0.000 2.645 405 S HA 0.511 4.981 4.470 0.000 0.000 0.266 405 S C 0.070 174.639 174.600 -0.052 0.000 1.258 405 S CA -0.430 57.732 58.200 -0.063 0.000 0.990 405 S CB 0.841 64.002 63.200 -0.064 0.000 0.967 405 S HN 0.342 nan 8.310 nan 0.000 0.556 406 D N 1.213 121.583 120.400 -0.050 0.000 2.341 406 D HA 0.361 5.002 4.640 0.000 0.000 0.245 406 D C -0.081 176.196 176.300 -0.038 0.000 1.106 406 D CA -0.091 53.883 54.000 -0.043 0.000 0.905 406 D CB 0.661 41.437 40.800 -0.040 0.000 1.202 406 D HN 0.523 nan 8.370 nan 0.000 0.426 407 A N 2.173 124.969 122.820 -0.040 0.000 3.077 407 A HA 0.136 4.456 4.320 0.000 0.000 0.255 407 A C -0.582 176.988 177.584 -0.023 0.000 1.728 407 A CA -0.286 51.728 52.037 -0.039 0.000 1.383 407 A CB -0.416 18.551 19.000 -0.054 0.000 1.097 407 A HN 0.247 nan 8.150 nan 0.000 0.634 408 D N 1.287 121.677 120.400 -0.017 0.000 2.460 408 D HA 0.549 5.189 4.640 0.000 0.000 0.232 408 D C -0.556 175.743 176.300 -0.001 0.000 1.079 408 D CA 0.295 54.292 54.000 -0.005 0.000 0.864 408 D CB 1.183 41.980 40.800 -0.004 0.000 1.048 408 D HN 0.339 nan 8.370 nan 0.000 0.523 409 L N 0.832 122.059 121.223 0.006 0.000 2.388 409 L HA 0.659 4.999 4.340 0.000 0.000 0.264 409 L C -0.682 176.207 176.870 0.031 0.000 0.998 409 L CA -1.135 53.711 54.840 0.011 0.000 0.817 409 L CB 2.676 44.737 42.059 0.003 0.000 1.338 409 L HN -0.072 nan 8.230 nan 0.000 0.414 410 V N 2.797 122.739 119.914 0.047 0.000 2.577 410 V HA 0.425 4.545 4.120 0.000 0.000 0.303 410 V C -0.197 175.960 176.094 0.106 0.000 1.042 410 V CA -0.413 61.943 62.300 0.092 0.000 0.872 410 V CB 2.097 34.010 31.823 0.149 0.000 0.998 410 V HN 0.498 nan 8.190 nan 0.000 0.423 411 I N 4.812 125.437 120.570 0.092 0.000 2.322 411 I HA 0.194 4.364 4.170 0.000 0.000 0.292 411 I C -0.105 176.085 176.117 0.123 0.000 1.060 411 I CA 0.123 61.473 61.300 0.083 0.000 1.309 411 I CB 0.486 38.510 38.000 0.039 0.000 1.415 411 I HN 0.641 nan 8.210 nan 0.000 0.492 412 W N 7.067 128.295 121.300 -0.120 0.000 2.449 412 W HA 0.252 4.913 4.660 0.001 0.000 0.331 412 W C -0.731 175.646 176.519 -0.238 0.000 1.119 412 W CA -0.407 56.814 57.345 -0.206 0.000 1.240 412 W CB 1.597 30.877 29.460 -0.300 0.000 1.251 412 W HN 0.412 nan 8.180 nan 0.000 0.576 413 D N 5.985 125.809 120.400 -0.960 0.000 2.414 413 D HA 0.220 4.861 4.640 0.000 0.000 0.232 413 D C -1.815 173.896 176.300 -0.982 0.000 1.070 413 D CA -1.997 51.574 54.000 -0.716 0.000 0.839 413 D CB 2.336 42.820 40.800 -0.526 0.000 1.079 413 D HN 0.047 nan 8.370 nan 0.000 0.521 414 P HA 0.111 nan 4.420 nan 0.000 0.235 414 P C 0.286 177.594 177.300 0.013 0.000 1.177 414 P CA 0.398 63.331 63.100 -0.277 0.000 0.785 414 P CB 0.858 32.636 31.700 0.131 0.000 0.885 415 D N -1.285 119.072 120.400 -0.072 0.000 2.379 415 D HA 0.049 4.689 4.640 0.000 0.000 0.218 415 D C 0.366 176.645 176.300 -0.034 0.000 1.006 415 D CA 0.569 54.568 54.000 -0.000 0.000 0.893 415 D CB -0.431 40.365 40.800 -0.008 0.000 1.019 415 D HN -0.021 nan 8.370 nan 0.000 0.503 416 S N 1.236 116.869 115.700 -0.112 0.000 2.515 416 S HA 0.164 4.634 4.470 0.000 0.000 0.285 416 S C 0.346 174.899 174.600 -0.077 0.000 1.265 416 S CA -0.312 57.824 58.200 -0.107 0.000 1.079 416 S CB 1.035 64.134 63.200 -0.169 0.000 0.877 416 S HN -0.071 nan 8.310 nan 0.000 0.493 417 V N 5.388 125.280 119.914 -0.037 0.000 2.461 417 V HA 0.335 4.455 4.120 0.000 0.000 0.275 417 V C 0.376 176.454 176.094 -0.027 0.000 1.047 417 V CA -0.262 62.029 62.300 -0.015 0.000 0.955 417 V CB 0.526 32.352 31.823 0.005 0.000 0.988 417 V HN 0.717 nan 8.190 nan 0.000 0.471 418 K N 2.280 122.666 120.400 -0.023 0.000 2.385 418 K HA 0.589 4.909 4.320 0.000 0.000 0.248 418 K C -0.626 175.976 176.600 0.003 0.000 0.955 418 K CA -0.769 55.505 56.287 -0.021 0.000 0.816 418 K CB 2.287 34.763 32.500 -0.040 0.000 1.250 418 K HN 0.585 nan 8.250 nan 0.000 0.434 419 T N 2.356 116.913 114.554 0.005 0.000 2.743 419 T HA 0.337 4.687 4.350 0.000 0.000 0.293 419 T C 0.382 175.098 174.700 0.026 0.000 0.945 419 T CA -0.489 61.623 62.100 0.020 0.000 1.030 419 T CB 0.123 68.999 68.868 0.013 0.000 0.912 419 T HN 0.300 nan 8.240 nan 0.000 0.483 420 I N 3.001 123.605 120.570 0.055 0.000 2.471 420 I HA 0.376 4.546 4.170 0.000 0.000 0.286 420 I C 0.721 176.876 176.117 0.064 0.000 1.079 420 I CA 0.117 61.467 61.300 0.083 0.000 1.398 420 I CB 0.811 38.899 38.000 0.148 0.000 1.403 420 I HN 0.496 nan 8.210 nan 0.000 0.530 421 S N 3.418 119.127 115.700 0.016 0.000 2.550 421 S HA 0.585 5.056 4.470 0.000 0.000 0.270 421 S C 0.447 174.897 174.600 -0.250 0.000 1.145 421 S CA -0.159 58.002 58.200 -0.066 0.000 0.852 421 S CB 1.788 64.945 63.200 -0.073 0.000 1.119 421 S HN 0.667 nan 8.310 nan 0.000 0.465 422 A N 2.558 125.133 122.820 -0.408 0.000 2.168 422 A HA 0.050 4.370 4.320 0.000 0.000 0.215 422 A C 1.672 178.875 177.584 -0.635 0.000 1.152 422 A CA 1.390 52.817 52.037 -1.016 0.000 0.716 422 A CB -0.522 18.160 19.000 -0.531 0.000 0.794 422 A HN 0.805 nan 8.150 nan 0.000 0.465 423 K N -1.334 118.872 120.400 -0.322 0.000 2.525 423 K HA 0.064 4.385 4.320 0.000 0.000 0.192 423 K C 0.548 177.060 176.600 -0.147 0.000 1.029 423 K CA 1.552 57.723 56.287 -0.193 0.000 1.029 423 K CB -0.064 32.361 32.500 -0.126 0.000 0.814 423 K HN 0.161 nan 8.250 nan 0.000 0.503 424 T N 0.270 114.721 114.554 -0.172 0.000 3.009 424 T HA 0.035 4.386 4.350 0.000 0.000 0.267 424 T C 0.047 174.748 174.700 0.001 0.000 0.942 424 T CA -0.474 61.583 62.100 -0.073 0.000 0.883 424 T CB -0.119 68.722 68.868 -0.046 0.000 1.192 424 T HN 0.520 nan 8.240 nan 0.000 0.524 425 H N 0.856 119.929 119.070 0.004 0.000 2.730 425 H HA 0.320 4.876 4.556 0.000 0.000 0.376 425 H C -0.170 175.154 175.328 -0.006 0.000 1.299 425 H CA -0.538 55.517 56.048 0.012 0.000 1.447 425 H CB 0.505 30.293 29.762 0.043 0.000 1.493 425 H HN -0.129 nan 8.280 nan 0.000 0.619 426 N N 0.873 119.654 118.700 0.135 0.000 2.758 426 N HA 0.039 4.779 4.740 0.000 0.000 0.293 426 N C -0.855 174.601 175.510 -0.091 0.000 1.273 426 N CA 0.101 53.154 53.050 0.004 0.000 1.022 426 N CB 0.644 39.093 38.487 -0.063 0.000 1.334 426 N HN 0.508 nan 8.380 nan 0.000 0.519 427 S N -1.370 114.248 115.700 -0.137 0.000 2.569 427 S HA 0.351 4.821 4.470 0.000 0.000 0.280 427 S C 0.897 175.428 174.600 -0.114 0.000 1.111 427 S CA -0.515 57.517 58.200 -0.281 0.000 0.887 427 S CB 1.320 64.119 63.200 -0.669 0.000 1.095 427 S HN 0.120 nan 8.310 nan 0.000 0.476 428 S N 2.042 117.698 115.700 -0.074 0.000 2.481 428 S HA 0.122 4.592 4.470 0.000 0.000 0.231 428 S C 0.498 175.129 174.600 0.053 0.000 0.996 428 S CA 0.224 58.425 58.200 0.000 0.000 0.942 428 S CB -0.492 62.693 63.200 -0.025 0.000 0.768 428 S HN 0.532 nan 8.310 nan 0.000 0.520 429 L N 1.928 123.178 121.223 0.045 0.000 2.464 429 L HA 0.215 4.556 4.340 0.000 0.000 0.264 429 L C 1.315 178.323 176.870 0.230 0.000 1.199 429 L CA 0.423 55.338 54.840 0.125 0.000 0.818 429 L CB 0.120 42.232 42.059 0.089 0.000 1.102 429 L HN -0.009 nan 8.230 nan 0.000 0.473 430 E N 0.216 120.521 120.200 0.174 0.000 2.230 430 E HA 0.004 4.354 4.350 0.000 0.000 0.192 430 E C -0.745 175.792 176.600 -0.105 0.000 0.987 430 E CA 0.826 57.252 56.400 0.044 0.000 0.841 430 E CB 0.063 29.802 29.700 0.064 0.000 0.783 430 E HN 0.399 nan 8.360 nan 0.000 0.481 431 Y N -0.009 120.353 120.300 0.103 0.000 2.487 431 Y HA 0.407 4.957 4.550 0.000 0.000 0.337 431 Y C -0.329 175.635 175.900 0.106 0.000 1.076 431 Y CA -1.066 57.075 58.100 0.068 0.000 1.115 431 Y CB 1.628 40.109 38.460 0.036 0.000 1.235 431 Y HN -0.227 nan 8.280 nan 0.000 0.468 432 N N 2.180 120.993 118.700 0.188 0.000 2.410 432 N HA 0.275 5.015 4.740 0.000 0.000 0.287 432 N C 0.494 175.940 175.510 -0.107 0.000 1.044 432 N CA -0.442 52.665 53.050 0.096 0.000 0.881 432 N CB 0.903 39.498 38.487 0.180 0.000 1.405 432 N HN 0.729 nan 8.380 nan 0.000 0.490 433 I N 0.077 120.354 120.570 -0.489 0.000 2.916 433 I HA 0.044 4.215 4.170 0.000 0.000 0.267 433 I C -0.236 175.454 176.117 -0.712 0.000 1.263 433 I CA 1.038 61.742 61.300 -0.992 0.000 1.471 433 I CB -0.209 36.788 38.000 -1.672 0.000 1.089 433 I HN 0.353 nan 8.210 nan 0.000 0.468 434 F N 0.946 120.886 119.950 -0.017 0.000 2.661 434 F HA 0.348 4.876 4.527 0.001 0.000 0.306 434 F C 0.871 176.702 175.800 0.052 0.000 1.094 434 F CA -1.061 56.967 58.000 0.047 0.000 1.254 434 F CB -0.613 38.422 39.000 0.058 0.000 1.040 434 F HN -0.036 nan 8.300 nan 0.000 0.562 435 E N 1.416 121.699 120.200 0.139 0.000 3.197 435 E HA 0.171 4.521 4.350 0.000 0.000 0.251 435 E C 1.465 178.117 176.600 0.086 0.000 0.912 435 E CA 1.067 57.520 56.400 0.088 0.000 0.960 435 E CB -0.255 29.477 29.700 0.054 0.000 0.897 435 E HN 0.575 nan 8.360 nan 0.000 0.550 436 G N 3.933 112.776 108.800 0.072 0.000 2.184 436 G HA2 -0.379 3.582 3.960 0.000 0.000 0.264 436 G HA3 -0.379 3.582 3.960 0.000 0.000 0.264 436 G C 0.475 175.425 174.900 0.083 0.000 0.975 436 G CA 0.280 45.418 45.100 0.064 0.000 0.642 436 G HN 0.643 nan 8.290 nan 0.000 0.536 437 M N 2.143 121.813 119.600 0.117 0.000 2.356 437 M HA 0.229 4.710 4.480 0.000 0.000 0.348 437 M C 0.050 176.400 176.300 0.083 0.000 1.595 437 M CA 0.227 55.598 55.300 0.119 0.000 1.095 437 M CB 0.211 32.909 32.600 0.163 0.000 1.963 437 M HN 0.159 nan 8.290 nan 0.000 0.459 438 E N 4.982 125.223 120.200 0.068 0.000 2.166 438 E HA 0.130 4.480 4.350 0.000 0.000 0.279 438 E C -0.947 175.686 176.600 0.055 0.000 1.095 438 E CA -0.053 56.378 56.400 0.050 0.000 0.888 438 E CB 0.910 30.635 29.700 0.042 0.000 1.041 438 E HN 0.631 nan 8.360 nan 0.000 0.414 439 C N 4.487 123.816 119.300 0.048 0.000 2.369 439 C HA 0.436 4.896 4.460 0.000 0.000 0.322 439 C C 0.185 175.210 174.990 0.059 0.000 1.258 439 C CA -0.678 58.376 59.018 0.060 0.000 1.487 439 C CB 0.622 28.394 27.740 0.053 0.000 2.165 439 C HN 0.747 nan 8.230 nan 0.000 0.483 440 R N 2.863 123.426 120.500 0.105 0.000 2.404 440 R HA 0.602 4.942 4.340 0.000 0.000 0.291 440 R C 0.202 176.626 176.300 0.206 0.000 1.025 440 R CA 1.071 57.248 56.100 0.128 0.000 0.991 440 R CB 1.138 31.540 30.300 0.170 0.000 1.053 440 R HN 1.379 nan 8.270 nan 0.000 0.479 441 G N 1.540 110.326 108.800 -0.024 0.000 3.209 441 G HA2 -0.057 3.903 3.960 0.000 0.000 0.686 441 G HA3 -0.057 3.903 3.960 0.000 0.000 0.686 441 G C -1.031 173.500 174.900 -0.615 0.000 1.065 441 G CA -0.304 44.560 45.100 -0.392 0.000 0.812 441 G HN 0.860 nan 8.290 nan 0.000 0.573 442 S N 2.184 117.073 115.700 -1.352 0.000 2.567 442 S HA 0.894 5.364 4.470 0.000 0.000 0.270 442 S C -3.351 170.421 174.600 -1.381 0.000 1.152 442 S CA -1.033 56.505 58.200 -1.104 0.000 0.835 442 S CB 3.144 66.040 63.200 -0.507 0.000 1.115 442 S HN 0.770 nan 8.310 nan 0.000 0.459 443 P HA 0.450 nan 4.420 nan 0.000 0.282 443 P C -0.025 177.140 177.300 -0.225 0.000 1.249 443 P CA -0.674 62.263 63.100 -0.271 0.000 0.806 443 P CB 0.880 32.599 31.700 0.032 0.000 0.984 444 L N 1.318 122.457 121.223 -0.140 0.000 2.467 444 L HA 0.254 4.594 4.340 0.000 0.000 0.213 444 L C 0.291 177.140 176.870 -0.034 0.000 1.053 444 L CA 0.472 55.253 54.840 -0.098 0.000 0.847 444 L CB 0.479 42.486 42.059 -0.087 0.000 1.075 444 L HN 0.115 nan 8.230 nan 0.000 0.479 445 V N 0.260 120.174 119.914 0.000 0.000 2.777 445 V HA 0.376 4.496 4.120 0.000 0.000 0.306 445 V C -0.815 175.305 176.094 0.043 0.000 1.112 445 V CA -0.627 61.687 62.300 0.023 0.000 0.917 445 V CB 2.749 34.587 31.823 0.026 0.000 1.018 445 V HN -0.258 nan 8.190 nan 0.000 0.426 446 V N 5.883 125.823 119.914 0.043 0.000 2.555 446 V HA 0.619 4.739 4.120 0.000 0.000 0.302 446 V C -0.485 175.633 176.094 0.039 0.000 1.038 446 V CA -0.528 61.801 62.300 0.048 0.000 0.887 446 V CB 2.099 33.949 31.823 0.045 0.000 0.991 446 V HN 0.698 nan 8.190 nan 0.000 0.434 447 I N 2.881 123.471 120.570 0.032 0.000 2.466 447 I HA 0.495 4.665 4.170 0.000 0.000 0.289 447 I C -0.345 175.782 176.117 0.017 0.000 1.026 447 I CA -0.205 61.108 61.300 0.022 0.000 1.078 447 I CB 2.149 40.156 38.000 0.011 0.000 1.249 447 I HN 0.601 nan 8.210 nan 0.000 0.429 448 S N 5.102 120.812 115.700 0.017 0.000 2.519 448 S HA 0.335 4.805 4.470 0.000 0.000 0.309 448 S C -0.188 174.417 174.600 0.009 0.000 1.100 448 S CA -0.287 57.923 58.200 0.016 0.000 1.059 448 S CB 0.832 64.047 63.200 0.024 0.000 1.008 448 S HN 0.711 nan 8.310 nan 0.000 0.478 449 Q N 2.759 122.560 119.800 0.001 0.000 2.461 449 Q HA -0.205 4.135 4.340 0.000 0.000 0.273 449 Q C 0.806 176.795 176.000 -0.018 0.000 1.163 449 Q CA 0.758 56.556 55.803 -0.008 0.000 0.929 449 Q CB -2.211 26.529 28.738 0.004 0.000 1.334 449 Q HN 1.594 nan 8.270 nan 0.000 0.499 450 G N -0.087 108.699 108.800 -0.024 0.000 2.221 450 G HA2 -0.335 3.625 3.960 0.000 0.000 0.265 450 G HA3 -0.335 3.625 3.960 0.000 0.000 0.265 450 G C -0.180 174.706 174.900 -0.024 0.000 1.041 450 G CA 0.738 45.816 45.100 -0.037 0.000 0.807 450 G HN 0.271 nan 8.290 nan 0.000 0.502 451 K N -0.391 120.005 120.400 -0.007 0.000 2.397 451 K HA 0.516 4.837 4.320 0.000 0.000 0.253 451 K C 0.340 176.949 176.600 0.016 0.000 0.932 451 K CA -1.032 55.256 56.287 0.002 0.000 0.795 451 K CB 1.738 34.243 32.500 0.009 0.000 1.159 451 K HN 0.178 nan 8.250 nan 0.000 0.424 452 I N 3.845 124.425 120.570 0.017 0.000 2.505 452 I HA -0.067 4.103 4.170 0.000 0.000 0.287 452 I C 1.387 177.554 176.117 0.084 0.000 1.104 452 I CA 0.023 61.347 61.300 0.041 0.000 1.387 452 I CB 0.588 38.609 38.000 0.034 0.000 1.404 452 I HN 0.480 nan 8.210 nan 0.000 0.528 453 V N 4.944 124.912 119.914 0.090 0.000 3.645 453 V HA 0.374 4.495 4.120 0.000 0.000 0.275 453 V C -0.033 176.111 176.094 0.084 0.000 1.356 453 V CA 0.028 62.392 62.300 0.107 0.000 1.051 453 V CB 0.514 32.368 31.823 0.052 0.000 0.828 453 V HN 0.540 nan 8.190 nan 0.000 0.441 454 L N 1.983 123.252 121.223 0.077 0.000 2.464 454 L HA 0.803 5.144 4.340 0.000 0.000 0.266 454 L C -1.099 175.810 176.870 0.065 0.000 0.965 454 L CA -0.105 54.755 54.840 0.033 0.000 0.833 454 L CB 1.934 43.991 42.059 -0.004 0.000 1.296 454 L HN 0.590 nan 8.230 nan 0.000 0.405 455 E N 3.785 124.027 120.200 0.071 0.000 2.381 455 E HA 0.275 4.625 4.350 0.000 0.000 0.286 455 E C -1.308 175.320 176.600 0.046 0.000 0.960 455 E CA -0.569 55.867 56.400 0.062 0.000 0.793 455 E CB 1.407 31.158 29.700 0.086 0.000 1.225 455 E HN 0.674 nan 8.360 nan 0.000 0.420 456 D N 2.557 122.967 120.400 0.017 0.000 2.772 456 D HA -0.217 4.424 4.640 0.000 0.000 0.233 456 D C 0.794 177.086 176.300 -0.014 0.000 1.143 456 D CA 1.874 55.877 54.000 0.006 0.000 0.700 456 D CB -1.200 39.617 40.800 0.027 0.000 1.076 456 D HN 1.217 nan 8.370 nan 0.000 0.430 457 G N -0.680 108.098 108.800 -0.037 0.000 2.168 457 G HA2 -0.333 3.627 3.960 0.000 0.000 0.263 457 G HA3 -0.333 3.627 3.960 0.000 0.000 0.263 457 G C 0.382 175.233 174.900 -0.081 0.000 0.977 457 G CA 0.822 45.889 45.100 -0.056 0.000 0.659 457 G HN 0.457 nan 8.290 nan 0.000 0.533 458 T N 1.414 115.906 114.554 -0.103 0.000 2.801 458 T HA 0.568 4.918 4.350 0.000 0.000 0.306 458 T C -0.047 174.355 174.700 -0.497 0.000 1.020 458 T CA -0.550 61.409 62.100 -0.236 0.000 0.948 458 T CB 1.977 70.778 68.868 -0.112 0.000 0.962 458 T HN 0.265 nan 8.240 nan 0.000 0.465 459 L N 4.154 125.122 121.223 -0.426 0.000 2.397 459 L HA 0.286 4.626 4.340 0.000 0.000 0.271 459 L C 0.200 176.733 176.870 -0.560 0.000 1.148 459 L CA 0.157 54.775 54.840 -0.371 0.000 0.825 459 L CB 0.020 41.968 42.059 -0.185 0.000 1.117 459 L HN 0.635 nan 8.230 nan 0.000 0.456 460 H N 4.423 123.493 119.070 0.000 0.000 2.439 460 H HA 0.294 4.851 4.556 0.000 0.000 0.228 460 H C -0.427 174.911 175.328 0.017 0.000 1.423 460 H CA -0.442 55.613 56.048 0.012 0.000 1.386 460 H CB 0.521 30.290 29.762 0.010 0.000 1.641 460 H HN 0.416 nan 8.280 nan 0.000 0.508 461 V N -0.186 119.779 119.914 0.085 0.000 3.036 461 V HA 0.694 4.815 4.120 0.000 0.000 0.308 461 V C 0.259 176.438 176.094 0.141 0.000 1.070 461 V CA -0.257 62.083 62.300 0.066 0.000 1.056 461 V CB 1.987 33.783 31.823 -0.046 0.000 1.084 461 V HN 0.371 nan 8.190 nan 0.000 0.471 462 T N 2.741 117.382 114.554 0.145 0.000 3.066 462 T HA 0.297 4.647 4.350 0.000 0.000 0.318 462 T C -0.440 174.381 174.700 0.200 0.000 0.979 462 T CA -0.236 61.961 62.100 0.161 0.000 1.025 462 T CB 0.798 69.724 68.868 0.097 0.000 1.002 462 T HN 1.026 nan 8.240 nan 0.000 0.453 463 E N 1.637 122.007 120.200 0.283 0.000 2.452 463 E HA 0.301 4.652 4.350 0.000 0.000 0.261 463 E C 1.323 177.999 176.600 0.126 0.000 0.987 463 E CA 1.340 57.908 56.400 0.281 0.000 0.926 463 E CB 0.121 29.822 29.700 0.002 0.000 0.934 463 E HN 0.976 nan 8.360 nan 0.000 0.452 464 G N 2.776 111.647 108.800 0.119 0.000 2.184 464 G HA2 -0.387 3.573 3.960 0.000 0.000 0.264 464 G HA3 -0.387 3.573 3.960 0.000 0.000 0.264 464 G C 0.939 175.880 174.900 0.069 0.000 0.975 464 G CA 0.982 46.121 45.100 0.065 0.000 0.642 464 G HN 0.729 nan 8.290 nan 0.000 0.536 465 S N 0.028 115.777 115.700 0.081 0.000 2.387 465 S HA 0.332 4.802 4.470 0.000 0.000 0.226 465 S C 1.747 176.397 174.600 0.083 0.000 1.026 465 S CA 1.189 59.432 58.200 0.072 0.000 0.972 465 S CB -0.363 62.879 63.200 0.069 0.000 0.814 465 S HN 1.792 nan 8.310 nan 0.000 0.477 466 G N 2.041 110.902 108.800 0.101 0.000 2.380 466 G HA2 0.381 4.341 3.960 0.000 0.000 0.242 466 G HA3 0.381 4.341 3.960 0.000 0.000 0.242 466 G C -0.252 174.777 174.900 0.215 0.000 1.298 466 G CA -0.659 44.529 45.100 0.148 0.000 0.878 466 G HN 0.518 nan 8.290 nan 0.000 0.542 467 R N 0.588 121.208 120.500 0.200 0.000 2.573 467 R HA 0.261 4.601 4.340 0.000 0.000 0.272 467 R C -0.829 175.549 176.300 0.130 0.000 1.009 467 R CA -0.871 55.334 56.100 0.174 0.000 1.059 467 R CB 1.342 31.683 30.300 0.068 0.000 1.112 467 R HN 0.599 nan 8.270 nan 0.000 0.517 468 Y N 2.432 122.670 120.300 -0.104 0.000 2.465 468 Y HA 0.089 4.640 4.550 0.001 0.000 0.331 468 Y C -0.397 175.300 175.900 -0.338 0.000 1.102 468 Y CA -0.186 57.585 58.100 -0.547 0.000 1.358 468 Y CB 0.532 38.785 38.460 -0.346 0.000 1.213 468 Y HN 0.331 nan 8.280 nan 0.000 0.525 469 I N 9.737 129.640 120.570 -1.112 0.000 2.328 469 I HA 0.264 4.435 4.170 0.000 0.000 0.287 469 I C -2.354 173.210 176.117 -0.922 0.000 1.012 469 I CA -3.025 57.832 61.300 -0.738 0.000 1.195 469 I CB 0.745 38.473 38.000 -0.453 0.000 1.350 469 I HN 0.503 nan 8.210 nan 0.000 0.464 470 P HA 0.426 nan 4.420 nan 0.000 0.277 470 P C -0.799 176.411 177.300 -0.152 0.000 1.240 470 P CA -0.609 62.377 63.100 -0.192 0.000 0.798 470 P CB 0.927 32.665 31.700 0.064 0.000 0.979 471 R N 1.164 121.614 120.500 -0.082 0.000 2.538 471 R HA 0.378 4.718 4.340 0.000 0.000 0.292 471 R C -0.196 176.093 176.300 -0.019 0.000 1.008 471 R CA -0.814 55.251 56.100 -0.058 0.000 0.896 471 R CB 2.181 32.437 30.300 -0.073 0.000 1.187 471 R HN 0.377 nan 8.270 nan 0.000 0.440 472 K N 3.480 123.878 120.400 -0.004 0.000 2.202 472 K HA 0.262 4.582 4.320 0.000 0.000 0.264 472 K C -2.023 174.570 176.600 -0.011 0.000 1.010 472 K CA -1.518 54.773 56.287 0.005 0.000 0.940 472 K CB 0.636 33.153 32.500 0.027 0.000 0.983 472 K HN 0.276 nan 8.250 nan 0.000 0.475 473 P HA 0.073 nan 4.420 nan 0.000 0.275 473 P C -0.617 176.595 177.300 -0.147 0.000 1.266 473 P CA -0.245 62.725 63.100 -0.216 0.000 0.793 473 P CB 0.217 31.699 31.700 -0.362 0.000 1.074 474 F N -3.519 116.261 119.950 -0.284 0.000 2.985 474 F HA -0.129 4.399 4.527 0.001 0.000 0.303 474 F C -1.671 174.128 175.800 -0.002 0.000 0.976 474 F CA -0.152 57.646 58.000 -0.337 0.000 1.013 474 F CB -2.849 35.970 39.000 -0.301 0.000 1.060 474 F HN 0.256 nan 8.300 nan 0.000 0.780 475 P HA 0.022 nan 4.420 nan 0.000 0.266 475 P C 0.851 178.319 177.300 0.281 0.000 1.215 475 P CA 0.187 63.413 63.100 0.210 0.000 0.763 475 P CB 0.933 32.724 31.700 0.153 0.000 0.806 476 D N 2.216 122.756 120.400 0.233 0.000 2.133 476 D HA -0.194 4.447 4.640 0.000 0.000 0.195 476 D C 1.458 177.892 176.300 0.224 0.000 0.997 476 D CA 1.246 55.377 54.000 0.219 0.000 0.840 476 D CB -0.517 40.386 40.800 0.172 0.000 0.947 476 D HN 0.374 nan 8.370 nan 0.000 0.452 477 F N 1.120 121.109 119.950 0.065 0.000 2.154 477 F HA -0.245 4.282 4.527 -0.001 0.000 0.301 477 F C 2.088 177.925 175.800 0.061 0.000 1.087 477 F CA 1.159 59.177 58.000 0.029 0.000 1.274 477 F CB -0.028 38.948 39.000 -0.041 0.000 1.009 477 F HN -0.181 nan 8.300 nan 0.000 0.485 478 V N -1.981 118.020 119.914 0.146 0.000 2.575 478 V HA -0.172 3.948 4.120 0.000 0.000 0.242 478 V C 1.580 177.668 176.094 -0.009 0.000 1.045 478 V CA 1.272 63.603 62.300 0.050 0.000 1.065 478 V CB -0.746 31.131 31.823 0.090 0.000 0.717 478 V HN 0.263 nan 8.190 nan 0.000 0.467 479 Y N 0.322 120.681 120.300 0.097 0.000 2.500 479 Y HA 0.127 4.677 4.550 -0.000 0.000 0.270 479 Y C 2.304 178.256 175.900 0.087 0.000 1.134 479 Y CA 0.507 58.687 58.100 0.134 0.000 1.293 479 Y CB 0.110 38.738 38.460 0.279 0.000 1.063 479 Y HN 0.136 nan 8.280 nan 0.000 0.534 480 K N 0.132 120.629 120.400 0.162 0.000 2.002 480 K HA -0.205 4.116 4.320 0.000 0.000 0.209 480 K C 2.090 178.712 176.600 0.037 0.000 1.048 480 K CA 1.548 57.888 56.287 0.088 0.000 0.930 480 K CB -0.162 32.370 32.500 0.054 0.000 0.714 480 K HN 0.232 nan 8.250 nan 0.000 0.438 481 R N 0.619 121.113 120.500 -0.011 0.000 2.112 481 R HA -0.167 4.173 4.340 0.000 0.000 0.242 481 R C 2.337 178.618 176.300 -0.031 0.000 1.137 481 R CA 1.659 57.734 56.100 -0.043 0.000 0.944 481 R CB -0.478 29.769 30.300 -0.089 0.000 0.857 481 R HN 0.179 nan 8.270 nan 0.000 0.435 482 I N 1.526 122.069 120.570 -0.046 0.000 2.151 482 I HA -0.326 3.844 4.170 0.000 0.000 0.243 482 I C 2.079 178.234 176.117 0.064 0.000 1.080 482 I CA 1.729 63.010 61.300 -0.031 0.000 1.339 482 I CB -1.037 36.869 38.000 -0.156 0.000 1.039 482 I HN 0.249 nan 8.210 nan 0.000 0.409 483 K N 0.991 121.461 120.400 0.118 0.000 2.026 483 K HA -0.109 4.212 4.320 0.000 0.000 0.208 483 K C 2.228 178.850 176.600 0.036 0.000 1.048 483 K CA 1.594 57.933 56.287 0.086 0.000 0.929 483 K CB -0.323 32.215 32.500 0.064 0.000 0.713 483 K HN 0.303 nan 8.250 nan 0.000 0.439 484 A N 1.929 124.762 122.820 0.023 0.000 1.978 484 A HA -0.187 4.133 4.320 0.000 0.000 0.220 484 A C 2.062 179.647 177.584 0.001 0.000 1.170 484 A CA 1.360 53.400 52.037 0.006 0.000 0.636 484 A CB -0.404 18.594 19.000 -0.003 0.000 0.810 484 A HN 0.254 nan 8.150 nan 0.000 0.448 485 R N -0.873 119.627 120.500 0.000 0.000 2.153 485 R HA 0.028 4.369 4.340 0.000 0.000 0.218 485 R C 2.340 178.643 176.300 0.005 0.000 1.072 485 R CA 1.055 57.152 56.100 -0.005 0.000 0.990 485 R CB -0.257 30.032 30.300 -0.018 0.000 0.889 485 R HN 0.460 nan 8.270 nan 0.000 0.452 486 S N 0.678 116.389 115.700 0.018 0.000 2.368 486 S HA -0.055 4.415 4.470 0.000 0.000 0.224 486 S C 1.817 176.426 174.600 0.015 0.000 1.029 486 S CA 1.035 59.249 58.200 0.023 0.000 0.988 486 S CB 0.024 63.247 63.200 0.040 0.000 0.838 486 S HN 0.301 nan 8.310 nan 0.000 0.462 487 R N 0.441 120.947 120.500 0.010 0.000 2.115 487 R HA 0.057 4.397 4.340 0.000 0.000 0.230 487 R C 0.782 177.084 176.300 0.004 0.000 1.111 487 R CA 0.440 56.543 56.100 0.005 0.000 0.976 487 R CB -0.532 29.769 30.300 0.001 0.000 0.870 487 R HN 0.342 nan 8.270 nan 0.000 0.445 488 L N 0.503 121.727 121.223 0.002 0.000 2.456 488 L HA 0.038 4.378 4.340 0.000 0.000 0.266 488 L C 0.680 177.553 176.870 0.003 0.000 1.258 488 L CA -0.259 54.582 54.840 0.000 0.000 0.823 488 L CB 0.057 42.114 42.059 -0.003 0.000 1.100 488 L HN 0.154 nan 8.230 nan 0.000 0.531 489 A N -0.108 122.714 122.820 0.003 0.000 2.309 489 A HA 0.460 4.781 4.320 0.000 0.000 0.317 489 A C -0.159 177.428 177.584 0.006 0.000 1.134 489 A CA -0.753 51.287 52.037 0.005 0.000 0.866 489 A CB 0.692 19.695 19.000 0.004 0.000 1.329 489 A HN 0.660 nan 8.150 nan 0.000 0.477 490 E N 0.000 120.205 120.200 0.009 0.000 2.725 490 E HA 0.000 4.350 4.350 0.000 0.000 0.291 490 E CA 0.000 56.406 56.400 0.011 0.000 0.976 490 E CB 0.000 29.708 29.700 0.013 0.000 0.812 490 E HN 0.000 nan 8.360 nan 0.000 0.440