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 2r8o_1_A DATA FIRST_RESID 2 DATA SEQUENCE SSRKELANAI RALSMDAVQK AKSGHPGAPM GMADIAEVLW RDFLKHNPQN DATA SEQUENCE PSWADRDRFV LSNGHGSMLI YSLLHLTGYD LPMEELKNFR QLHSKTPGHP DATA SEQUENCE EVGYTAGVET TTGPLGQGIA NAVGMAIAEK TLAAQFNRPG HDIVDHYTYA DATA SEQUENCE FMGDGCMMEG ISHEVCSLAG TLKLGKLIAF YDDNGISIDG HVEGWFTDDT DATA SEQUENCE AMRFEAYGWH VIRDIDGHDA ASIKRAVEEA RAVTDKPSLL MCKTIIGFGS DATA SEQUENCE PNKAGTHDSH GAPLGDAEIA LTREQLGWKY APFEIPSEIY AQWDAKEAGQ DATA SEQUENCE AKESAWNEKF AAYAKAYPQE AAEFTRRMKG EMPSDFDAKA KEFIAKLQAN DATA SEQUENCE PAKIASRKAS QNAIEAFGPL LPEFLGGSAD LAPSNLTLWS GSKAINEDAA DATA SEQUENCE GNYIHYGVRE FGMTAIANGI SLHGGFLPYT STFLMFVEYA RNAVRMAALM DATA SEQUENCE KQRQVMVYTH DSIGLGEDGP THQPVEQVAS LRVTPNMSTW RPCDQVESAV DATA SEQUENCE AWKYGVERQD GPTALILSRQ NLAQQERTEE QLANIARGGY VLKDCAGQPE DATA SEQUENCE LIFIATGSEV ELAVAAYEKL TAEGVKARVV SMPSTDAFDK QDAAYRESVL DATA SEQUENCE PKAVTARVAV EAGIADYWYK YVGLNGAIVG MTTFGESAPA ELLFEEFGFT DATA SEQUENCE VDNVVAKAKE LL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.610 174.600 0.017 0.000 1.055 2 S CA 0.000 58.219 58.200 0.032 0.000 1.107 2 S CB 0.000 63.237 63.200 0.061 0.000 0.593 3 S N 0.840 116.562 115.700 0.036 0.000 2.593 3 S HA 0.328 4.792 4.470 -0.011 0.000 0.269 3 S C 1.053 175.662 174.600 0.016 0.000 1.334 3 S CA -0.567 57.649 58.200 0.026 0.000 1.015 3 S CB 0.450 63.677 63.200 0.044 0.000 0.912 3 S HN 0.718 nan 8.310 nan 0.000 0.541 4 R N 1.280 121.776 120.500 -0.007 0.000 2.105 4 R HA -0.089 4.245 4.340 -0.011 0.000 0.239 4 R C 2.182 178.492 176.300 0.016 0.000 1.135 4 R CA 1.643 57.725 56.100 -0.030 0.000 0.967 4 R CB -0.390 29.888 30.300 -0.035 0.000 0.861 4 R HN 0.695 nan 8.270 nan 0.000 0.442 5 K N 0.484 120.912 120.400 0.045 0.000 2.057 5 K HA -0.190 4.123 4.320 -0.011 0.000 0.206 5 K C 2.047 178.726 176.600 0.131 0.000 1.050 5 K CA 1.379 57.711 56.287 0.075 0.000 0.935 5 K CB -0.044 32.507 32.500 0.084 0.000 0.715 5 K HN 0.058 nan 8.250 nan 0.000 0.439 6 E N 1.454 121.750 120.200 0.159 0.000 2.077 6 E HA -0.145 4.198 4.350 -0.011 0.000 0.193 6 E C 1.828 178.616 176.600 0.313 0.000 0.989 6 E CA 1.042 57.604 56.400 0.270 0.000 0.800 6 E CB -0.144 29.698 29.700 0.237 0.000 0.746 6 E HN 0.184 nan 8.360 nan 0.000 0.452 7 L N -0.136 121.210 121.223 0.206 0.000 2.017 7 L HA -0.159 4.174 4.340 -0.011 0.000 0.208 7 L C 2.561 179.682 176.870 0.419 0.000 1.073 7 L CA 1.193 56.194 54.840 0.269 0.000 0.745 7 L CB -0.642 41.345 42.059 -0.120 0.000 0.894 7 L HN 0.235 nan 8.230 nan 0.000 0.432 8 A N 0.135 123.092 122.820 0.229 0.000 1.933 8 A HA -0.195 4.118 4.320 -0.011 0.000 0.218 8 A C 1.984 179.600 177.584 0.053 0.000 1.175 8 A CA 1.750 53.895 52.037 0.180 0.000 0.628 8 A CB -0.549 18.495 19.000 0.073 0.000 0.814 8 A HN 0.432 nan 8.150 nan 0.000 0.444 9 N N 0.553 119.276 118.700 0.037 0.000 2.364 9 N HA -0.069 4.664 4.740 -0.011 0.000 0.183 9 N C 1.724 176.880 175.510 -0.591 0.000 1.022 9 N CA 1.233 54.194 53.050 -0.150 0.000 0.883 9 N CB -0.498 38.017 38.487 0.047 0.000 0.965 9 N HN 0.496 nan 8.380 nan 0.000 0.438 10 A N 1.052 123.628 122.820 -0.406 0.000 1.933 10 A HA -0.089 4.225 4.320 -0.011 0.000 0.218 10 A C 2.263 179.566 177.584 -0.468 0.000 1.175 10 A CA 0.891 52.606 52.037 -0.537 0.000 0.628 10 A CB -0.591 18.390 19.000 -0.032 0.000 0.814 10 A HN 0.226 nan 8.150 nan 0.000 0.444 11 I N -0.881 119.492 120.570 -0.328 0.000 2.226 11 I HA -0.279 3.884 4.170 -0.011 0.000 0.245 11 I C 2.773 178.702 176.117 -0.312 0.000 1.100 11 I CA 1.386 62.493 61.300 -0.323 0.000 1.374 11 I CB -0.362 37.488 38.000 -0.251 0.000 1.057 11 I HN 0.297 nan 8.210 nan 0.000 0.413 12 R N 0.810 121.128 120.500 -0.304 0.000 2.073 12 R HA -0.152 4.181 4.340 -0.011 0.000 0.234 12 R C 2.474 178.555 176.300 -0.365 0.000 1.134 12 R CA 1.584 57.522 56.100 -0.270 0.000 0.952 12 R CB -0.563 29.622 30.300 -0.192 0.000 0.850 12 R HN 0.377 nan 8.270 nan 0.000 0.433 13 A N 1.454 123.914 122.820 -0.599 0.000 1.858 13 A HA -0.127 4.186 4.320 -0.011 0.000 0.216 13 A C 2.247 179.578 177.584 -0.422 0.000 1.190 13 A CA 1.156 52.819 52.037 -0.623 0.000 0.617 13 A CB -0.657 17.663 19.000 -1.134 0.000 0.827 13 A HN 0.167 nan 8.150 nan 0.000 0.443 14 L N -0.268 120.722 121.223 -0.388 0.000 2.042 14 L HA -0.204 4.130 4.340 -0.011 0.000 0.210 14 L C 2.881 179.594 176.870 -0.262 0.000 1.076 14 L CA 1.562 56.228 54.840 -0.290 0.000 0.749 14 L CB -0.461 41.466 42.059 -0.221 0.000 0.893 14 L HN 0.351 nan 8.230 nan 0.000 0.432 15 S N 0.196 115.735 115.700 -0.269 0.000 2.345 15 S HA -0.177 4.286 4.470 -0.011 0.000 0.220 15 S C 1.956 176.433 174.600 -0.205 0.000 1.031 15 S CA 1.795 59.846 58.200 -0.249 0.000 0.996 15 S CB -0.254 62.812 63.200 -0.222 0.000 0.882 15 S HN 0.502 nan 8.310 nan 0.000 0.445 16 M N 1.344 120.832 119.600 -0.188 0.000 2.159 16 M HA -0.076 4.397 4.480 -0.011 0.000 0.263 16 M C 0.996 177.218 176.300 -0.130 0.000 1.063 16 M CA 1.683 56.901 55.300 -0.136 0.000 1.110 16 M CB -0.697 31.829 32.600 -0.125 0.000 1.374 16 M HN -0.043 nan 8.290 nan 0.000 0.411 17 D N 1.453 121.726 120.400 -0.212 0.000 2.117 17 D HA 0.002 4.635 4.640 -0.011 0.000 0.198 17 D C 2.338 178.595 176.300 -0.073 0.000 0.982 17 D CA 1.868 55.709 54.000 -0.266 0.000 0.828 17 D CB -0.220 40.196 40.800 -0.640 0.000 0.967 17 D HN 0.549 nan 8.370 nan 0.000 0.464 18 A N 0.694 123.507 122.820 -0.012 0.000 1.930 18 A HA -0.107 4.206 4.320 -0.011 0.000 0.217 18 A C 2.519 180.227 177.584 0.206 0.000 1.175 18 A CA 0.995 53.157 52.037 0.208 0.000 0.627 18 A CB -0.688 18.317 19.000 0.009 0.000 0.815 18 A HN 0.129 nan 8.150 nan 0.000 0.443 19 V N -0.231 119.730 119.914 0.078 0.000 2.343 19 V HA -0.285 3.828 4.120 -0.011 0.000 0.247 19 V C 2.749 178.934 176.094 0.151 0.000 1.051 19 V CA 2.383 64.799 62.300 0.192 0.000 1.036 19 V CB -0.713 31.161 31.823 0.085 0.000 0.654 19 V HN 0.673 nan 8.190 nan 0.000 0.451 20 Q N 0.514 120.366 119.800 0.086 0.000 2.050 20 Q HA -0.217 4.116 4.340 -0.011 0.000 0.202 20 Q C 2.251 178.316 176.000 0.109 0.000 0.980 20 Q CA 2.053 57.898 55.803 0.070 0.000 0.840 20 Q CB -0.400 28.356 28.738 0.030 0.000 0.898 20 Q HN 0.596 nan 8.270 nan 0.000 0.424 21 K N -1.000 119.504 120.400 0.173 0.000 2.097 21 K HA -0.089 4.224 4.320 -0.011 0.000 0.206 21 K C 1.707 178.389 176.600 0.137 0.000 1.049 21 K CA 1.222 57.620 56.287 0.184 0.000 0.933 21 K CB -0.239 32.433 32.500 0.287 0.000 0.717 21 K HN 0.253 nan 8.250 nan 0.000 0.442 22 A N 0.924 123.848 122.820 0.173 0.000 2.119 22 A HA -0.045 4.268 4.320 -0.011 0.000 0.217 22 A C 0.407 178.028 177.584 0.061 0.000 1.153 22 A CA 1.026 53.132 52.037 0.116 0.000 0.692 22 A CB -0.217 18.881 19.000 0.164 0.000 0.799 22 A HN 0.448 nan 8.150 nan 0.000 0.458 23 K N -0.912 119.530 120.400 0.071 0.000 3.016 23 K HA -0.158 4.155 4.320 -0.011 0.000 0.262 23 K C -0.120 176.490 176.600 0.016 0.000 1.043 23 K CA 0.833 57.142 56.287 0.037 0.000 0.761 23 K CB -1.953 30.559 32.500 0.021 0.000 1.230 23 K HN 0.475 nan 8.250 nan 0.000 0.485 24 S N -1.502 114.218 115.700 0.034 0.000 2.556 24 S HA 0.687 5.151 4.470 -0.011 0.000 0.280 24 S C -0.516 174.119 174.600 0.058 0.000 1.141 24 S CA 0.304 58.499 58.200 -0.007 0.000 0.883 24 S CB 2.025 65.192 63.200 -0.055 0.000 1.103 24 S HN 0.948 nan 8.310 nan 0.000 0.453 25 G N 2.792 111.578 108.800 -0.022 0.000 2.343 25 G HA2 0.180 4.133 3.960 -0.011 0.000 0.562 25 G HA3 0.180 4.133 3.960 -0.011 0.000 0.562 25 G C -1.981 172.827 174.900 -0.154 0.000 1.269 25 G CA -0.770 44.392 45.100 0.104 0.000 1.011 25 G HN 0.983 nan 8.290 nan 0.000 0.498 26 H N 1.158 120.269 119.070 0.068 0.000 2.866 26 H HA 0.510 5.058 4.556 -0.012 0.000 0.287 26 H C -1.672 173.634 175.328 -0.036 0.000 1.106 26 H CA -1.259 54.763 56.048 -0.042 0.000 1.396 26 H CB 2.005 31.733 29.762 -0.056 0.000 1.469 26 H HN 0.342 nan 8.280 nan 0.000 0.500 27 P HA 0.019 nan 4.420 nan 0.000 0.239 27 P C 1.603 178.914 177.300 0.017 0.000 1.188 27 P CA 0.575 63.672 63.100 -0.005 0.000 0.794 27 P CB 0.533 32.217 31.700 -0.028 0.000 0.937 28 G N 1.291 110.124 108.800 0.055 0.000 2.453 28 G HA2 -0.235 3.718 3.960 -0.011 0.000 0.215 28 G HA3 -0.235 3.718 3.960 -0.011 0.000 0.215 28 G C 1.763 176.725 174.900 0.103 0.000 1.201 28 G CA 1.172 46.326 45.100 0.091 0.000 0.784 28 G HN 0.324 nan 8.290 nan 0.000 0.545 29 A N 1.474 124.369 122.820 0.126 0.000 1.898 29 A HA 0.118 4.431 4.320 -0.011 0.000 0.216 29 A C 0.772 178.369 177.584 0.021 0.000 1.181 29 A CA 1.904 53.994 52.037 0.089 0.000 0.620 29 A CB -1.106 17.942 19.000 0.081 0.000 0.819 29 A HN 0.378 nan 8.150 nan 0.000 0.442 30 P HA -0.160 nan 4.420 nan 0.000 0.215 30 P C 1.607 178.883 177.300 -0.039 0.000 1.153 30 P CA 1.432 64.498 63.100 -0.056 0.000 0.853 30 P CB -0.181 31.454 31.700 -0.107 0.000 0.788 31 M N -1.614 117.982 119.600 -0.007 0.000 2.175 31 M HA -0.015 4.459 4.480 -0.011 0.000 0.264 31 M C 2.241 178.602 176.300 0.101 0.000 1.063 31 M CA 1.949 57.270 55.300 0.034 0.000 1.119 31 M CB -1.177 31.453 32.600 0.051 0.000 1.377 31 M HN -0.019 nan 8.290 nan 0.000 0.415 32 G N 0.007 108.873 108.800 0.110 0.000 2.421 32 G HA2 -0.112 3.841 3.960 -0.011 0.000 0.217 32 G HA3 -0.112 3.841 3.960 -0.011 0.000 0.217 32 G C 1.455 176.373 174.900 0.031 0.000 1.143 32 G CA 0.413 45.605 45.100 0.155 0.000 0.784 32 G HN 0.375 nan 8.290 nan 0.000 0.541 33 M N 0.600 120.175 119.600 -0.041 0.000 2.371 33 M HA 0.309 4.782 4.480 -0.011 0.000 0.246 33 M C 2.606 178.849 176.300 -0.095 0.000 1.103 33 M CA 0.212 55.427 55.300 -0.142 0.000 1.010 33 M CB 0.633 33.130 32.600 -0.173 0.000 1.457 33 M HN 0.265 nan 8.290 nan 0.000 0.486 34 A N 1.234 124.021 122.820 -0.055 0.000 1.940 34 A HA -0.182 4.131 4.320 -0.011 0.000 0.219 34 A C 1.696 179.272 177.584 -0.012 0.000 1.176 34 A CA 1.809 53.824 52.037 -0.037 0.000 0.631 34 A CB -0.431 18.541 19.000 -0.048 0.000 0.814 34 A HN 0.401 nan 8.150 nan 0.000 0.446 35 D N -0.040 120.326 120.400 -0.058 0.000 2.144 35 D HA -0.082 4.551 4.640 -0.011 0.000 0.200 35 D C 1.885 178.164 176.300 -0.035 0.000 0.978 35 D CA 1.181 55.152 54.000 -0.048 0.000 0.833 35 D CB -0.309 40.440 40.800 -0.086 0.000 0.961 35 D HN 0.548 nan 8.370 nan 0.000 0.470 36 I N 1.612 122.125 120.570 -0.095 0.000 2.226 36 I HA -0.230 3.933 4.170 -0.011 0.000 0.245 36 I C 2.618 178.748 176.117 0.022 0.000 1.100 36 I CA 1.027 62.266 61.300 -0.101 0.000 1.374 36 I CB -0.247 37.566 38.000 -0.312 0.000 1.057 36 I HN -0.094 nan 8.210 nan 0.000 0.413 37 A N 0.167 123.048 122.820 0.102 0.000 1.933 37 A HA -0.236 4.077 4.320 -0.011 0.000 0.218 37 A C 2.371 180.077 177.584 0.203 0.000 1.175 37 A CA 1.660 53.811 52.037 0.191 0.000 0.628 37 A CB -0.539 18.489 19.000 0.047 0.000 0.814 37 A HN 0.425 nan 8.150 nan 0.000 0.444 38 E N 0.323 120.637 120.200 0.191 0.000 2.051 38 E HA -0.139 4.204 4.350 -0.011 0.000 0.192 38 E C 2.082 178.711 176.600 0.048 0.000 0.991 38 E CA 1.729 58.215 56.400 0.145 0.000 0.799 38 E CB -0.283 29.454 29.700 0.062 0.000 0.748 38 E HN 0.319 nan 8.360 nan 0.000 0.449 39 V N 1.594 121.558 119.914 0.083 0.000 2.307 39 V HA -0.251 3.862 4.120 -0.011 0.000 0.245 39 V C 2.679 178.917 176.094 0.239 0.000 1.045 39 V CA 1.637 64.017 62.300 0.133 0.000 1.024 39 V CB -0.645 31.280 31.823 0.171 0.000 0.651 39 V HN 0.251 nan 8.190 nan 0.000 0.449 40 L N -0.733 120.620 121.223 0.215 0.000 1.989 40 L HA -0.146 4.188 4.340 -0.011 0.000 0.211 40 L C 2.068 179.005 176.870 0.112 0.000 1.071 40 L CA 2.205 57.136 54.840 0.151 0.000 0.749 40 L CB -0.760 41.267 42.059 -0.054 0.000 0.890 40 L HN 0.386 nan 8.230 nan 0.000 0.431 41 W N 0.153 121.406 121.300 -0.080 0.000 2.409 41 W HA -0.020 4.633 4.660 -0.012 0.000 0.299 41 W C 2.842 179.383 176.519 0.038 0.000 1.203 41 W CA 1.296 58.607 57.345 -0.056 0.000 1.298 41 W CB -0.327 29.138 29.460 0.008 0.000 1.127 41 W HN 0.046 nan 8.180 nan 0.000 0.528 42 R N -0.543 120.060 120.500 0.172 0.000 2.119 42 R HA -0.065 4.268 4.340 -0.011 0.000 0.222 42 R C 1.063 177.325 176.300 -0.065 0.000 1.088 42 R CA 1.422 57.521 56.100 -0.002 0.000 0.984 42 R CB -0.265 29.890 30.300 -0.242 0.000 0.884 42 R HN 0.073 nan 8.270 nan 0.000 0.447 43 D N -1.351 118.979 120.400 -0.116 0.000 2.388 43 D HA 0.059 4.692 4.640 -0.011 0.000 0.208 43 D C 0.830 176.755 176.300 -0.625 0.000 1.035 43 D CA 0.798 54.552 54.000 -0.409 0.000 0.875 43 D CB 0.384 40.827 40.800 -0.594 0.000 0.984 43 D HN 0.077 nan 8.370 nan 0.000 0.508 44 F N -0.398 119.528 119.950 -0.039 0.000 2.581 44 F HA 0.264 4.785 4.527 -0.011 0.000 0.278 44 F C 0.482 176.254 175.800 -0.048 0.000 1.000 44 F CA -0.599 57.369 58.000 -0.054 0.000 1.230 44 F CB 0.094 39.027 39.000 -0.111 0.000 1.008 44 F HN -0.218 nan 8.300 nan 0.000 0.695 45 L N 2.739 123.968 121.223 0.010 0.000 2.534 45 L HA 0.052 4.386 4.340 -0.011 0.000 0.271 45 L C 0.462 177.419 176.870 0.144 0.000 1.178 45 L CA 0.278 55.064 54.840 -0.091 0.000 0.907 45 L CB 0.082 41.757 42.059 -0.639 0.000 1.164 45 L HN 0.012 nan 8.230 nan 0.000 0.482 46 K N 5.328 125.849 120.400 0.201 0.000 2.263 46 K HA 0.341 4.654 4.320 -0.011 0.000 0.282 46 K C -1.138 175.652 176.600 0.317 0.000 1.089 46 K CA -0.321 56.127 56.287 0.268 0.000 0.907 46 K CB 0.061 32.695 32.500 0.225 0.000 1.148 46 K HN 0.947 nan 8.250 nan 0.000 0.470 47 H N 0.081 119.282 119.070 0.217 0.000 3.042 47 H HA 0.364 4.913 4.556 -0.011 0.000 0.346 47 H C -1.602 173.881 175.328 0.259 0.000 1.294 47 H CA -1.272 54.929 56.048 0.254 0.000 1.141 47 H CB 1.106 30.924 29.762 0.093 0.000 1.872 47 H HN 0.280 nan 8.280 nan 0.000 0.541 48 N N 2.051 120.845 118.700 0.157 0.000 2.524 48 N HA 0.294 5.027 4.740 -0.011 0.000 0.261 48 N C -2.249 173.096 175.510 -0.274 0.000 0.998 48 N CA -2.781 50.183 53.050 -0.145 0.000 0.915 48 N CB 1.852 40.239 38.487 -0.166 0.000 1.187 48 N HN 0.414 nan 8.380 nan 0.000 0.507 49 P HA -0.120 nan 4.420 nan 0.000 0.219 49 P C 0.645 177.623 177.300 -0.535 0.000 1.146 49 P CA 1.317 63.765 63.100 -1.086 0.000 0.808 49 P CB 0.381 31.589 31.700 -0.820 0.000 0.779 50 Q N -1.928 117.693 119.800 -0.298 0.000 2.378 50 Q HA -0.025 4.308 4.340 -0.011 0.000 0.205 50 Q C 0.432 176.370 176.000 -0.103 0.000 0.954 50 Q CA 0.556 56.258 55.803 -0.168 0.000 0.901 50 Q CB -0.179 28.473 28.738 -0.144 0.000 0.981 50 Q HN 0.145 nan 8.270 nan 0.000 0.483 51 N N -0.234 118.414 118.700 -0.086 0.000 2.675 51 N HA 0.167 4.900 4.740 -0.011 0.000 0.254 51 N C -2.532 173.033 175.510 0.091 0.000 1.224 51 N CA -1.815 51.235 53.050 0.000 0.000 0.777 51 N CB 1.311 39.789 38.487 -0.015 0.000 1.256 51 N HN -0.246 nan 8.380 nan 0.000 0.531 52 P HA 0.027 nan 4.420 nan 0.000 0.228 52 P C 0.287 177.671 177.300 0.140 0.000 1.151 52 P CA 0.863 64.106 63.100 0.239 0.000 0.770 52 P CB 0.402 32.289 31.700 0.312 0.000 0.786 53 S N -2.639 113.117 115.700 0.093 0.000 2.556 53 S HA 0.045 4.508 4.470 -0.011 0.000 0.216 53 S C 0.084 174.695 174.600 0.019 0.000 0.970 53 S CA -0.653 57.563 58.200 0.027 0.000 0.912 53 S CB -0.515 62.693 63.200 0.013 0.000 0.790 53 S HN 0.275 nan 8.310 nan 0.000 0.504 54 W N 3.220 124.425 121.300 -0.159 0.000 2.476 54 W HA 0.178 4.831 4.660 -0.011 0.000 0.338 54 W C 1.069 177.347 176.519 -0.402 0.000 1.328 54 W CA -0.690 56.499 57.345 -0.261 0.000 1.300 54 W CB -0.153 29.166 29.460 -0.234 0.000 1.252 54 W HN 0.191 nan 8.180 nan 0.000 0.568 55 A N 3.981 126.563 122.820 -0.396 0.000 1.978 55 A HA -0.239 4.074 4.320 -0.011 0.000 0.220 55 A C 1.586 178.630 177.584 -0.900 0.000 1.170 55 A CA 2.092 53.786 52.037 -0.572 0.000 0.636 55 A CB -0.427 18.376 19.000 -0.330 0.000 0.810 55 A HN 0.647 nan 8.150 nan 0.000 0.448 56 D N -1.014 118.428 120.400 -1.596 0.000 2.368 56 D HA 0.077 4.710 4.640 -0.011 0.000 0.218 56 D C 0.736 176.015 176.300 -1.701 0.000 1.112 56 D CA -0.356 52.790 54.000 -1.424 0.000 0.834 56 D CB -0.069 39.932 40.800 -1.332 0.000 0.953 56 D HN 0.589 nan 8.370 nan 0.000 0.505 57 R N 0.226 119.624 120.500 -1.836 0.000 2.734 57 R HA 0.126 4.460 4.340 -0.011 0.000 0.266 57 R C -0.363 175.503 176.300 -0.725 0.000 1.044 57 R CA -0.297 55.094 56.100 -1.181 0.000 1.128 57 R CB 0.374 30.335 30.300 -0.565 0.000 1.010 57 R HN -0.130 nan 8.270 nan 0.000 0.461 58 D N 1.365 121.592 120.400 -0.288 0.000 2.400 58 D HA 0.068 4.702 4.640 -0.011 0.000 0.238 58 D C -0.263 176.003 176.300 -0.057 0.000 1.157 58 D CA 0.247 54.230 54.000 -0.030 0.000 0.889 58 D CB 0.580 41.495 40.800 0.192 0.000 1.199 58 D HN 0.301 nan 8.370 nan 0.000 0.436 59 R N 0.687 121.216 120.500 0.048 0.000 2.393 59 R HA 0.430 4.763 4.340 -0.011 0.000 0.310 59 R C -0.871 175.538 176.300 0.182 0.000 0.968 59 R CA -0.684 55.456 56.100 0.066 0.000 0.867 59 R CB 0.676 31.016 30.300 0.066 0.000 1.124 59 R HN 0.314 nan 8.270 nan 0.000 0.450 60 F N 3.165 123.118 119.950 0.005 0.000 2.469 60 F HA 0.657 5.178 4.527 -0.011 0.000 0.332 60 F C -1.018 174.801 175.800 0.032 0.000 1.103 60 F CA -0.871 57.144 58.000 0.024 0.000 0.979 60 F CB 1.301 40.268 39.000 -0.056 0.000 1.137 60 F HN 0.185 nan 8.300 nan 0.000 0.463 61 V N 7.238 126.653 119.914 -0.831 0.000 2.577 61 V HA 0.307 4.420 4.120 -0.011 0.000 0.303 61 V C -0.984 174.598 176.094 -0.854 0.000 1.042 61 V CA -0.793 61.146 62.300 -0.601 0.000 0.872 61 V CB 1.626 33.314 31.823 -0.225 0.000 0.998 61 V HN 0.686 nan 8.190 nan 0.000 0.423 62 L N 4.122 125.017 121.223 -0.545 0.000 2.328 62 L HA 0.395 4.728 4.340 -0.011 0.000 0.280 62 L C 1.396 178.204 176.870 -0.104 0.000 1.111 62 L CA 0.866 55.542 54.840 -0.273 0.000 0.909 62 L CB 1.089 43.090 42.059 -0.097 0.000 1.277 62 L HN 0.729 nan 8.230 nan 0.000 0.433 63 S N 2.614 118.289 115.700 -0.042 0.000 2.406 63 S HA -0.063 4.401 4.470 -0.011 0.000 0.228 63 S C 1.010 175.632 174.600 0.038 0.000 1.020 63 S CA 0.946 59.153 58.200 0.010 0.000 0.965 63 S CB -0.282 62.945 63.200 0.045 0.000 0.798 63 S HN 0.874 nan 8.310 nan 0.000 0.488 64 N N 1.474 120.194 118.700 0.034 0.000 3.178 64 N HA 0.195 4.928 4.740 -0.011 0.000 0.300 64 N C 0.734 176.080 175.510 -0.272 0.000 1.242 64 N CA 0.268 53.291 53.050 -0.046 0.000 1.192 64 N CB -0.282 38.194 38.487 -0.018 0.000 1.463 64 N HN 0.251 nan 8.380 nan 0.000 0.539 65 G N 0.664 109.425 108.800 -0.066 0.000 2.509 65 G HA2 -0.272 3.682 3.960 -0.011 0.000 0.218 65 G HA3 -0.272 3.682 3.960 -0.011 0.000 0.218 65 G C 1.228 176.112 174.900 -0.025 0.000 1.124 65 G CA 0.442 45.530 45.100 -0.021 0.000 0.776 65 G HN 0.756 nan 8.290 nan 0.000 0.547 66 H N 0.229 119.320 119.070 0.035 0.000 2.457 66 H HA -0.040 4.510 4.556 -0.010 0.000 0.297 66 H C 2.050 177.199 175.328 -0.299 0.000 1.092 66 H CA 0.905 56.742 56.048 -0.352 0.000 1.309 66 H CB -0.819 28.593 29.762 -0.584 0.000 1.382 66 H HN 0.190 nan 8.280 nan 0.000 0.535 67 G N 1.512 110.018 108.800 -0.490 0.000 3.397 67 G HA2 0.042 3.995 3.960 -0.011 0.000 0.248 67 G HA3 0.042 3.995 3.960 -0.011 0.000 0.248 67 G C 1.290 176.051 174.900 -0.232 0.000 1.284 67 G CA 0.289 45.238 45.100 -0.253 0.000 1.570 67 G HN 0.586 nan 8.290 nan 0.000 0.587 68 S N 0.263 115.821 115.700 -0.236 0.000 2.400 68 S HA -0.155 4.308 4.470 -0.011 0.000 0.232 68 S C 2.227 176.462 174.600 -0.609 0.000 1.025 68 S CA 0.626 58.582 58.200 -0.407 0.000 0.993 68 S CB -0.190 62.867 63.200 -0.239 0.000 0.808 68 S HN 0.231 nan 8.310 nan 0.000 0.478 69 M N 0.904 120.263 119.600 -0.403 0.000 2.358 69 M HA 0.118 4.591 4.480 -0.011 0.000 0.264 69 M C 1.988 178.091 176.300 -0.328 0.000 1.064 69 M CA 0.677 55.734 55.300 -0.405 0.000 1.093 69 M CB -1.390 30.920 32.600 -0.484 0.000 1.401 69 M HN 0.436 nan 8.290 nan 0.000 0.440 70 L N 0.370 121.414 121.223 -0.299 0.000 1.994 70 L HA -0.140 4.193 4.340 -0.011 0.000 0.208 70 L C 2.203 178.851 176.870 -0.371 0.000 1.071 70 L CA 1.713 56.389 54.840 -0.274 0.000 0.745 70 L CB -0.769 41.199 42.059 -0.152 0.000 0.892 70 L HN 0.243 nan 8.230 nan 0.000 0.431 71 I N -1.857 118.488 120.570 -0.375 0.000 2.315 71 I HA -0.304 3.860 4.170 -0.011 0.000 0.248 71 I C 2.051 177.987 176.117 -0.302 0.000 1.117 71 I CA 0.992 62.063 61.300 -0.383 0.000 1.404 71 I CB -0.103 37.773 38.000 -0.206 0.000 1.071 71 I HN 0.281 nan 8.210 nan 0.000 0.419 72 Y N 0.704 120.888 120.300 -0.193 0.000 2.224 72 Y HA -0.173 4.370 4.550 -0.011 0.000 0.289 72 Y C 2.922 178.704 175.900 -0.196 0.000 1.146 72 Y CA 0.997 59.004 58.100 -0.155 0.000 1.182 72 Y CB -1.394 36.998 38.460 -0.114 0.000 0.983 72 Y HN 0.157 nan 8.280 nan 0.000 0.524 73 S N 0.248 115.860 115.700 -0.146 0.000 2.356 73 S HA -0.166 4.298 4.470 -0.011 0.000 0.223 73 S C 2.200 176.557 174.600 -0.405 0.000 1.032 73 S CA 1.327 59.375 58.200 -0.254 0.000 1.005 73 S CB -0.710 62.283 63.200 -0.345 0.000 0.867 73 S HN 0.344 nan 8.310 nan 0.000 0.449 74 L N 0.981 121.843 121.223 -0.603 0.000 2.017 74 L HA -0.122 4.211 4.340 -0.011 0.000 0.208 74 L C 2.290 178.861 176.870 -0.497 0.000 1.073 74 L CA 1.126 55.438 54.840 -0.879 0.000 0.745 74 L CB -0.617 40.470 42.059 -1.620 0.000 0.894 74 L HN 0.281 nan 8.230 nan 0.000 0.432 75 L N -1.196 119.827 121.223 -0.333 0.000 2.046 75 L HA -0.253 4.080 4.340 -0.011 0.000 0.208 75 L C 2.679 179.645 176.870 0.159 0.000 1.077 75 L CA 1.322 56.110 54.840 -0.086 0.000 0.747 75 L CB -0.735 41.237 42.059 -0.145 0.000 0.896 75 L HN 0.319 nan 8.230 nan 0.000 0.432 76 H N 0.335 119.411 119.070 0.010 0.000 2.293 76 H HA -0.141 4.408 4.556 -0.011 0.000 0.300 76 H C 2.171 177.561 175.328 0.104 0.000 1.082 76 H CA 1.737 57.826 56.048 0.068 0.000 1.308 76 H CB -0.079 29.702 29.762 0.032 0.000 1.375 76 H HN 0.122 nan 8.280 nan 0.000 0.495 77 L N -0.048 121.108 121.223 -0.112 0.000 2.093 77 L HA -0.118 4.215 4.340 -0.011 0.000 0.208 77 L C 2.451 179.375 176.870 0.091 0.000 1.085 77 L CA 1.703 56.444 54.840 -0.164 0.000 0.755 77 L CB -0.513 41.096 42.059 -0.751 0.000 0.904 77 L HN 0.545 nan 8.230 nan 0.000 0.435 78 T N -3.772 110.894 114.554 0.187 0.000 3.113 78 T HA 0.202 4.545 4.350 -0.011 0.000 0.256 78 T C 1.336 176.196 174.700 0.267 0.000 1.131 78 T CA 0.502 62.841 62.100 0.398 0.000 1.074 78 T CB 0.404 69.696 68.868 0.706 0.000 0.944 78 T HN 0.481 nan 8.240 nan 0.000 0.516 79 G N -0.015 108.888 108.800 0.172 0.000 2.138 79 G HA2 -0.182 3.772 3.960 -0.011 0.000 0.193 79 G HA3 -0.182 3.772 3.960 -0.011 0.000 0.193 79 G C -0.154 174.764 174.900 0.030 0.000 0.998 79 G CA -0.404 44.717 45.100 0.036 0.000 0.668 79 G HN 0.546 nan 8.290 nan 0.000 0.516 80 Y N 0.550 120.895 120.300 0.075 0.000 2.335 80 Y HA 0.372 4.915 4.550 -0.011 0.000 0.348 80 Y C 1.156 177.091 175.900 0.060 0.000 1.280 80 Y CA 0.327 58.482 58.100 0.092 0.000 1.504 80 Y CB 0.431 38.980 38.460 0.148 0.000 1.366 80 Y HN 0.104 nan 8.280 nan 0.000 0.621 81 D N 1.916 122.449 120.400 0.222 0.000 2.600 81 D HA 0.146 4.779 4.640 -0.011 0.000 0.226 81 D C -1.426 174.964 176.300 0.149 0.000 1.119 81 D CA 0.249 54.330 54.000 0.136 0.000 1.051 81 D CB -0.853 40.004 40.800 0.095 0.000 1.106 81 D HN 0.315 nan 8.370 nan 0.000 0.491 82 L N 3.957 125.283 121.223 0.171 0.000 2.492 82 L HA 0.437 4.770 4.340 -0.011 0.000 0.259 82 L C -2.626 174.383 176.870 0.233 0.000 1.229 82 L CA -1.693 53.242 54.840 0.159 0.000 0.903 82 L CB 1.599 43.756 42.059 0.163 0.000 1.114 82 L HN 0.012 nan 8.230 nan 0.000 0.494 83 P HA 0.160 nan 4.420 nan 0.000 0.272 83 P C 0.882 178.207 177.300 0.041 0.000 1.240 83 P CA -0.371 62.827 63.100 0.165 0.000 0.791 83 P CB 0.651 32.391 31.700 0.067 0.000 0.978 84 M N 1.144 120.739 119.600 -0.008 0.000 2.149 84 M HA -0.184 4.289 4.480 -0.011 0.000 0.261 84 M C 1.507 177.701 176.300 -0.177 0.000 1.064 84 M CA 1.891 57.069 55.300 -0.203 0.000 1.102 84 M CB -0.999 31.569 32.600 -0.054 0.000 1.369 84 M HN 0.245 nan 8.290 nan 0.000 0.408 85 E N 0.207 120.340 120.200 -0.111 0.000 2.160 85 E HA -0.188 4.155 4.350 -0.011 0.000 0.195 85 E C 1.961 178.482 176.600 -0.131 0.000 0.991 85 E CA 1.138 57.459 56.400 -0.132 0.000 0.810 85 E CB -0.369 29.285 29.700 -0.077 0.000 0.742 85 E HN 0.595 nan 8.360 nan 0.000 0.466 86 E N 0.231 120.372 120.200 -0.098 0.000 2.106 86 E HA -0.123 4.220 4.350 -0.011 0.000 0.192 86 E C 2.201 178.734 176.600 -0.111 0.000 0.984 86 E CA 0.434 56.778 56.400 -0.093 0.000 0.806 86 E CB -0.177 29.476 29.700 -0.079 0.000 0.750 86 E HN 0.174 nan 8.360 nan 0.000 0.458 87 L N 1.139 122.278 121.223 -0.140 0.000 2.131 87 L HA -0.142 4.191 4.340 -0.011 0.000 0.210 87 L C 2.084 178.897 176.870 -0.094 0.000 1.092 87 L CA 1.521 56.303 54.840 -0.097 0.000 0.759 87 L CB -0.406 41.591 42.059 -0.103 0.000 0.903 87 L HN -0.016 nan 8.230 nan 0.000 0.435 88 K N -0.465 119.750 120.400 -0.309 0.000 2.504 88 K HA -0.008 4.306 4.320 -0.011 0.000 0.195 88 K C 0.504 177.002 176.600 -0.169 0.000 1.036 88 K CA 0.442 56.448 56.287 -0.469 0.000 0.984 88 K CB -0.026 32.071 32.500 -0.671 0.000 0.788 88 K HN 0.262 nan 8.250 nan 0.000 0.488 89 N N 0.358 119.013 118.700 -0.076 0.000 2.275 89 N HA 0.019 4.752 4.740 -0.011 0.000 0.236 89 N C -0.595 174.945 175.510 0.050 0.000 1.154 89 N CA -0.302 52.736 53.050 -0.020 0.000 0.866 89 N CB 0.066 38.529 38.487 -0.041 0.000 1.093 89 N HN 0.029 nan 8.380 nan 0.000 0.515 90 F N 2.468 122.382 119.950 -0.060 0.000 2.604 90 F HA -0.075 4.445 4.527 -0.012 0.000 0.393 90 F C 1.267 177.072 175.800 0.008 0.000 1.043 90 F CA 0.494 58.485 58.000 -0.015 0.000 1.227 90 F CB 0.251 39.279 39.000 0.048 0.000 1.016 90 F HN 0.204 nan 8.300 nan 0.000 0.556 91 R N 1.002 121.219 120.500 -0.473 0.000 3.951 91 R HA -0.209 4.125 4.340 -0.011 0.000 0.352 91 R C -0.512 175.670 176.300 -0.196 0.000 1.178 91 R CA 0.856 56.685 56.100 -0.452 0.000 0.949 91 R CB -1.363 28.543 30.300 -0.657 0.000 1.452 91 R HN 0.607 nan 8.270 nan 0.000 0.540 92 Q N 0.576 120.309 119.800 -0.113 0.000 2.226 92 Q HA 0.296 4.629 4.340 -0.011 0.000 0.256 92 Q C -0.050 175.907 176.000 -0.071 0.000 0.962 92 Q CA -1.131 54.627 55.803 -0.075 0.000 0.887 92 Q CB 0.967 29.678 28.738 -0.045 0.000 1.282 92 Q HN 0.096 nan 8.270 nan 0.000 0.449 93 L N 2.921 124.083 121.223 -0.101 0.000 2.601 93 L HA -0.094 4.239 4.340 -0.011 0.000 0.277 93 L C 0.153 176.947 176.870 -0.126 0.000 1.219 93 L CA 1.293 56.010 54.840 -0.205 0.000 0.915 93 L CB -0.749 41.151 42.059 -0.265 0.000 1.160 93 L HN 0.743 nan 8.230 nan 0.000 0.494 94 H N 0.684 119.780 119.070 0.042 0.000 3.047 94 H HA -0.189 4.360 4.556 -0.011 0.000 0.263 94 H C 0.784 176.119 175.328 0.011 0.000 1.168 94 H CA 0.633 56.698 56.048 0.028 0.000 1.152 94 H CB -1.516 28.242 29.762 -0.007 0.000 1.278 94 H HN 0.804 nan 8.280 nan 0.000 0.339 95 S N 0.417 116.177 115.700 0.100 0.000 2.608 95 S HA 0.182 4.645 4.470 -0.011 0.000 0.261 95 S C 1.151 175.796 174.600 0.074 0.000 1.314 95 S CA -0.476 57.754 58.200 0.050 0.000 0.992 95 S CB 1.518 64.722 63.200 0.007 0.000 0.935 95 S HN 0.404 nan 8.310 nan 0.000 0.564 96 K N 0.438 120.844 120.400 0.010 0.000 2.505 96 K HA 0.073 4.386 4.320 -0.011 0.000 0.192 96 K C 0.241 176.765 176.600 -0.126 0.000 1.025 96 K CA 0.494 56.787 56.287 0.009 0.000 1.086 96 K CB -0.185 32.305 32.500 -0.016 0.000 0.840 96 K HN 0.834 nan 8.250 nan 0.000 0.514 97 T N -0.174 114.273 114.554 -0.178 0.000 3.514 97 T HA 0.232 4.575 4.350 -0.011 0.000 0.259 97 T C -2.593 172.112 174.700 0.007 0.000 1.466 97 T CA -1.996 59.826 62.100 -0.463 0.000 1.562 97 T CB 0.599 69.220 68.868 -0.412 0.000 0.924 97 T HN -0.128 nan 8.240 nan 0.000 0.678 98 P HA 0.175 nan 4.420 nan 0.000 0.271 98 P C 1.366 178.746 177.300 0.133 0.000 1.233 98 P CA -0.031 63.120 63.100 0.085 0.000 0.789 98 P CB 0.566 32.287 31.700 0.034 0.000 0.951 99 G N 0.154 108.913 108.800 -0.069 0.000 2.448 99 G HA2 -0.139 3.814 3.960 -0.011 0.000 0.219 99 G HA3 -0.139 3.814 3.960 -0.011 0.000 0.219 99 G C 0.109 174.893 174.900 -0.195 0.000 1.127 99 G CA 0.929 45.920 45.100 -0.181 0.000 0.766 99 G HN 0.614 nan 8.290 nan 0.000 0.552 100 H N -0.448 118.668 119.070 0.077 0.000 2.622 100 H HA 0.462 5.011 4.556 -0.011 0.000 0.363 100 H C -2.480 172.885 175.328 0.063 0.000 1.151 100 H CA -1.840 54.236 56.048 0.047 0.000 1.184 100 H CB 2.102 31.869 29.762 0.008 0.000 1.643 100 H HN -0.060 nan 8.280 nan 0.000 0.531 101 P HA 0.110 nan 4.420 nan 0.000 0.271 101 P C -0.870 176.485 177.300 0.091 0.000 1.216 101 P CA -0.200 62.979 63.100 0.131 0.000 0.776 101 P CB 0.847 32.555 31.700 0.013 0.000 0.881 102 E N 0.737 120.988 120.200 0.086 0.000 2.224 102 E HA 0.317 4.661 4.350 -0.011 0.000 0.265 102 E C -0.881 175.785 176.600 0.112 0.000 0.878 102 E CA -1.152 55.243 56.400 -0.008 0.000 0.759 102 E CB 2.365 31.858 29.700 -0.344 0.000 1.164 102 E HN 0.126 nan 8.360 nan 0.000 0.414 103 V N 2.988 122.965 119.914 0.105 0.000 2.655 103 V HA 0.294 4.407 4.120 -0.011 0.000 0.300 103 V C 1.154 177.365 176.094 0.195 0.000 1.044 103 V CA 2.144 64.525 62.300 0.135 0.000 1.095 103 V CB 0.439 32.320 31.823 0.096 0.000 0.952 103 V HN 1.021 nan 8.190 nan 0.000 0.485 104 G N 5.006 113.921 108.800 0.192 0.000 2.299 104 G HA2 -0.357 3.597 3.960 -0.011 0.000 0.237 104 G HA3 -0.357 3.597 3.960 -0.011 0.000 0.237 104 G C 0.758 175.792 174.900 0.223 0.000 1.027 104 G CA 0.812 46.028 45.100 0.193 0.000 0.619 104 G HN 0.802 nan 8.290 nan 0.000 0.513 105 Y N 1.627 121.973 120.300 0.077 0.000 2.457 105 Y HA 0.314 4.857 4.550 -0.010 0.000 0.292 105 Y C 1.137 177.076 175.900 0.066 0.000 1.125 105 Y CA 1.586 59.730 58.100 0.072 0.000 1.254 105 Y CB 0.741 39.253 38.460 0.087 0.000 1.012 105 Y HN 0.240 nan 8.280 nan 0.000 0.555 106 T N -0.072 114.617 114.554 0.225 0.000 3.295 106 T HA 0.464 4.807 4.350 -0.011 0.000 0.331 106 T C -0.801 173.997 174.700 0.164 0.000 1.142 106 T CA -0.834 61.372 62.100 0.177 0.000 1.078 106 T CB 1.236 70.238 68.868 0.222 0.000 1.150 106 T HN 0.122 nan 8.240 nan 0.000 0.465 107 A N 1.581 124.497 122.820 0.160 0.000 2.545 107 A HA 0.530 4.843 4.320 -0.011 0.000 0.253 107 A C 1.593 179.284 177.584 0.179 0.000 1.074 107 A CA 0.928 53.092 52.037 0.211 0.000 0.760 107 A CB -0.937 18.228 19.000 0.275 0.000 1.005 107 A HN 2.021 nan 8.150 nan 0.000 0.506 108 G N 1.354 110.260 108.800 0.176 0.000 2.213 108 G HA2 -0.179 3.774 3.960 -0.011 0.000 0.236 108 G HA3 -0.179 3.774 3.960 -0.011 0.000 0.236 108 G C 0.230 175.164 174.900 0.056 0.000 0.991 108 G CA 0.014 45.137 45.100 0.038 0.000 0.629 108 G HN 1.393 nan 8.290 nan 0.000 0.517 109 V N 2.027 122.004 119.914 0.104 0.000 2.455 109 V HA 0.313 4.426 4.120 -0.011 0.000 0.273 109 V C 1.326 177.485 176.094 0.108 0.000 1.045 109 V CA 0.125 62.501 62.300 0.125 0.000 0.976 109 V CB 1.524 33.444 31.823 0.161 0.000 0.993 109 V HN 0.322 nan 8.190 nan 0.000 0.475 110 E N 2.098 122.355 120.200 0.095 0.000 2.318 110 E HA 0.084 4.427 4.350 -0.011 0.000 0.193 110 E C 0.810 177.443 176.600 0.055 0.000 0.998 110 E CA 0.482 56.923 56.400 0.067 0.000 0.859 110 E CB 0.758 30.492 29.700 0.057 0.000 0.812 110 E HN 0.709 nan 8.360 nan 0.000 0.492 111 T N -0.718 113.867 114.554 0.052 0.000 2.769 111 T HA 0.242 4.585 4.350 -0.011 0.000 0.306 111 T C -1.361 173.364 174.700 0.041 0.000 1.400 111 T CA -0.537 61.588 62.100 0.042 0.000 1.007 111 T CB 1.744 70.626 68.868 0.024 0.000 1.392 111 T HN -0.241 nan 8.240 nan 0.000 0.500 112 T N 3.052 117.628 114.554 0.035 0.000 2.744 112 T HA 0.611 4.954 4.350 -0.011 0.000 0.291 112 T C 0.385 175.097 174.700 0.019 0.000 0.957 112 T CA -0.449 61.667 62.100 0.027 0.000 1.002 112 T CB 0.773 69.649 68.868 0.014 0.000 0.919 112 T HN 0.842 nan 8.240 nan 0.000 0.468 113 T N -0.071 114.498 114.554 0.026 0.000 2.804 113 T HA 0.868 5.212 4.350 -0.011 0.000 0.272 113 T C 1.052 175.762 174.700 0.017 0.000 0.986 113 T CA 0.025 62.136 62.100 0.020 0.000 0.999 113 T CB 1.686 70.563 68.868 0.015 0.000 1.307 113 T HN 0.756 nan 8.240 nan 0.000 0.586 114 G N 0.339 109.138 108.800 -0.002 0.000 3.031 114 G HA2 -0.041 3.913 3.960 -0.011 0.000 0.198 114 G HA3 -0.041 3.913 3.960 -0.011 0.000 0.198 114 G C -2.502 172.310 174.900 -0.148 0.000 1.242 114 G CA -0.389 44.579 45.100 -0.220 0.000 0.878 114 G HN 0.875 nan 8.290 nan 0.000 0.493 115 P HA 0.554 nan 4.420 nan 0.000 0.274 115 P C 0.380 177.695 177.300 0.025 0.000 1.291 115 P CA -0.297 62.797 63.100 -0.010 0.000 0.815 115 P CB 0.583 32.300 31.700 0.028 0.000 0.897 116 L N 2.364 123.610 121.223 0.038 0.000 2.514 116 L HA 0.153 4.486 4.340 -0.011 0.000 0.280 116 L C 1.809 178.691 176.870 0.020 0.000 1.223 116 L CA 1.197 56.067 54.840 0.049 0.000 0.864 116 L CB -0.407 41.686 42.059 0.056 0.000 1.118 116 L HN 0.785 nan 8.230 nan 0.000 0.494 117 G N 1.165 109.967 108.800 0.003 0.000 2.299 117 G HA2 -0.305 3.648 3.960 -0.011 0.000 0.237 117 G HA3 -0.305 3.648 3.960 -0.011 0.000 0.237 117 G C 0.907 175.743 174.900 -0.106 0.000 1.027 117 G CA 0.424 45.494 45.100 -0.050 0.000 0.619 117 G HN 0.641 nan 8.290 nan 0.000 0.513 118 Q N 0.416 120.159 119.800 -0.094 0.000 2.230 118 Q HA 0.155 4.488 4.340 -0.011 0.000 0.202 118 Q C 2.785 178.749 176.000 -0.060 0.000 0.963 118 Q CA 1.143 56.876 55.803 -0.117 0.000 0.866 118 Q CB -0.232 28.469 28.738 -0.063 0.000 0.931 118 Q HN 0.605 nan 8.270 nan 0.000 0.452 119 G N 1.468 110.251 108.800 -0.028 0.000 2.459 119 G HA2 -0.279 3.674 3.960 -0.011 0.000 0.217 119 G HA3 -0.279 3.674 3.960 -0.011 0.000 0.217 119 G C 1.380 176.275 174.900 -0.008 0.000 1.183 119 G CA 0.700 45.788 45.100 -0.019 0.000 0.776 119 G HN 0.313 nan 8.290 nan 0.000 0.552 120 I N 1.743 122.319 120.570 0.011 0.000 2.286 120 I HA -0.021 4.142 4.170 -0.011 0.000 0.248 120 I C 2.924 179.059 176.117 0.031 0.000 1.115 120 I CA 1.258 62.589 61.300 0.051 0.000 1.392 120 I CB -0.383 37.670 38.000 0.087 0.000 1.065 120 I HN 0.191 nan 8.210 nan 0.000 0.418 121 A N 0.340 123.142 122.820 -0.030 0.000 1.877 121 A HA -0.267 4.047 4.320 -0.011 0.000 0.216 121 A C 2.133 179.703 177.584 -0.024 0.000 1.186 121 A CA 2.299 54.303 52.037 -0.056 0.000 0.620 121 A CB -1.271 17.641 19.000 -0.147 0.000 0.822 121 A HN 0.649 nan 8.150 nan 0.000 0.443 122 N N 0.216 118.904 118.700 -0.020 0.000 2.120 122 N HA -0.092 4.641 4.740 -0.011 0.000 0.188 122 N C 1.940 177.460 175.510 0.017 0.000 1.024 122 N CA 1.067 54.118 53.050 0.002 0.000 0.852 122 N CB -0.275 38.215 38.487 0.005 0.000 1.003 122 N HN 0.509 nan 8.380 nan 0.000 0.424 123 A N 0.938 123.771 122.820 0.021 0.000 1.902 123 A HA -0.087 4.226 4.320 -0.011 0.000 0.217 123 A C 2.422 180.025 177.584 0.031 0.000 1.181 123 A CA 1.085 53.143 52.037 0.036 0.000 0.623 123 A CB -0.770 18.263 19.000 0.054 0.000 0.818 123 A HN 0.102 nan 8.150 nan 0.000 0.443 124 V N 0.001 119.936 119.914 0.035 0.000 2.332 124 V HA -0.220 3.893 4.120 -0.011 0.000 0.248 124 V C 2.811 178.886 176.094 -0.031 0.000 1.055 124 V CA 2.034 64.340 62.300 0.011 0.000 1.038 124 V CB -1.459 30.383 31.823 0.031 0.000 0.651 124 V HN 0.620 nan 8.190 nan 0.000 0.450 125 G N -0.766 108.024 108.800 -0.018 0.000 2.418 125 G HA2 -0.276 3.677 3.960 -0.011 0.000 0.217 125 G HA3 -0.276 3.677 3.960 -0.011 0.000 0.217 125 G C 1.616 176.483 174.900 -0.056 0.000 1.158 125 G CA 1.132 46.210 45.100 -0.036 0.000 0.771 125 G HN 0.452 nan 8.290 nan 0.000 0.545 126 M N 0.726 120.327 119.600 0.002 0.000 2.175 126 M HA 0.062 4.535 4.480 -0.011 0.000 0.264 126 M C 2.972 179.239 176.300 -0.055 0.000 1.063 126 M CA 1.295 56.625 55.300 0.051 0.000 1.119 126 M CB -0.103 32.589 32.600 0.153 0.000 1.377 126 M HN 0.308 nan 8.290 nan 0.000 0.415 127 A N 0.441 123.217 122.820 -0.073 0.000 1.929 127 A HA -0.059 4.254 4.320 -0.011 0.000 0.216 127 A C 2.064 179.531 177.584 -0.195 0.000 1.176 127 A CA 1.131 53.086 52.037 -0.137 0.000 0.628 127 A CB -0.743 18.179 19.000 -0.130 0.000 0.816 127 A HN 0.426 nan 8.150 nan 0.000 0.444 128 I N -0.128 120.327 120.570 -0.191 0.000 2.226 128 I HA -0.294 3.869 4.170 -0.011 0.000 0.245 128 I C 2.971 178.905 176.117 -0.305 0.000 1.100 128 I CA 1.067 62.226 61.300 -0.236 0.000 1.374 128 I CB -0.301 37.559 38.000 -0.235 0.000 1.057 128 I HN 0.361 nan 8.210 nan 0.000 0.413 129 A N 0.151 122.757 122.820 -0.358 0.000 1.877 129 A HA -0.255 4.059 4.320 -0.011 0.000 0.216 129 A C 2.368 179.777 177.584 -0.292 0.000 1.186 129 A CA 1.791 53.577 52.037 -0.418 0.000 0.620 129 A CB -0.582 18.133 19.000 -0.475 0.000 0.822 129 A HN 0.430 nan 8.150 nan 0.000 0.443 130 E N 0.276 120.224 120.200 -0.420 0.000 2.077 130 E HA -0.233 4.110 4.350 -0.011 0.000 0.193 130 E C 2.063 178.555 176.600 -0.180 0.000 0.989 130 E CA 1.658 57.880 56.400 -0.297 0.000 0.800 130 E CB -0.251 29.190 29.700 -0.432 0.000 0.746 130 E HN 0.656 nan 8.360 nan 0.000 0.452 131 K N -0.325 119.962 120.400 -0.188 0.000 2.057 131 K HA -0.103 4.210 4.320 -0.011 0.000 0.207 131 K C 2.075 178.644 176.600 -0.053 0.000 1.049 131 K CA 1.822 58.025 56.287 -0.140 0.000 0.931 131 K CB -0.062 32.341 32.500 -0.163 0.000 0.714 131 K HN 0.060 nan 8.250 nan 0.000 0.440 132 T N 1.694 116.229 114.554 -0.033 0.000 2.777 132 T HA -0.120 4.223 4.350 -0.011 0.000 0.266 132 T C 1.710 176.582 174.700 0.286 0.000 1.040 132 T CA 0.968 63.111 62.100 0.072 0.000 1.141 132 T CB -0.151 68.681 68.868 -0.060 0.000 0.868 132 T HN 0.106 nan 8.240 nan 0.000 0.444 133 L N 1.291 122.767 121.223 0.422 0.000 2.046 133 L HA 0.087 4.420 4.340 -0.011 0.000 0.208 133 L C 2.647 179.739 176.870 0.371 0.000 1.077 133 L CA 1.583 56.707 54.840 0.473 0.000 0.747 133 L CB -0.927 41.372 42.059 0.399 0.000 0.896 133 L HN 0.237 nan 8.230 nan 0.000 0.432 134 A N -0.685 122.248 122.820 0.190 0.000 1.883 134 A HA -0.171 4.143 4.320 -0.011 0.000 0.217 134 A C 2.442 180.085 177.584 0.098 0.000 1.186 134 A CA 1.905 54.009 52.037 0.112 0.000 0.624 134 A CB -1.161 17.839 19.000 0.001 0.000 0.822 134 A HN 0.510 nan 8.150 nan 0.000 0.444 135 A N -0.921 121.942 122.820 0.072 0.000 1.933 135 A HA -0.196 4.117 4.320 -0.011 0.000 0.218 135 A C 2.132 179.734 177.584 0.031 0.000 1.175 135 A CA 1.657 53.716 52.037 0.036 0.000 0.628 135 A CB -0.514 18.495 19.000 0.016 0.000 0.814 135 A HN 0.675 nan 8.150 nan 0.000 0.444 136 Q N -2.018 117.822 119.800 0.066 0.000 2.083 136 Q HA -0.062 4.271 4.340 -0.011 0.000 0.198 136 Q C 1.521 177.382 176.000 -0.232 0.000 0.969 136 Q CA 1.525 57.277 55.803 -0.086 0.000 0.838 136 Q CB -0.134 28.550 28.738 -0.089 0.000 0.900 136 Q HN 0.750 nan 8.270 nan 0.000 0.436 137 F N 0.036 120.033 119.950 0.078 0.000 2.559 137 F HA 0.118 4.638 4.527 -0.011 0.000 0.286 137 F C 0.598 176.378 175.800 -0.032 0.000 1.108 137 F CA -0.441 57.598 58.000 0.064 0.000 1.436 137 F CB 0.250 39.309 39.000 0.099 0.000 1.130 137 F HN -0.105 nan 8.300 nan 0.000 0.584 138 N N 1.810 120.571 118.700 0.101 0.000 2.454 138 N HA 0.139 4.873 4.740 -0.011 0.000 0.254 138 N C -0.093 175.424 175.510 0.011 0.000 1.228 138 N CA 0.328 53.393 53.050 0.024 0.000 0.900 138 N CB 0.435 38.936 38.487 0.023 0.000 1.089 138 N HN -0.049 nan 8.380 nan 0.000 0.449 139 R N 1.123 121.646 120.500 0.039 0.000 2.837 139 R HA 0.496 4.830 4.340 -0.011 0.000 0.271 139 R C -2.603 173.774 176.300 0.129 0.000 0.993 139 R CA -1.983 54.115 56.100 -0.004 0.000 0.931 139 R CB 0.628 30.725 30.300 -0.338 0.000 1.206 139 R HN 0.323 nan 8.270 nan 0.000 0.474 140 P HA 0.044 nan 4.420 nan 0.000 0.261 140 P C 0.628 178.002 177.300 0.123 0.000 1.183 140 P CA 1.090 64.258 63.100 0.113 0.000 0.761 140 P CB 0.294 32.057 31.700 0.105 0.000 0.785 141 G N 2.415 111.219 108.800 0.007 0.000 2.184 141 G HA2 -0.221 3.732 3.960 -0.011 0.000 0.264 141 G HA3 -0.221 3.732 3.960 -0.011 0.000 0.264 141 G C 0.156 174.834 174.900 -0.371 0.000 0.975 141 G CA -0.249 44.751 45.100 -0.168 0.000 0.642 141 G HN 0.725 nan 8.290 nan 0.000 0.536 142 H N 0.466 119.588 119.070 0.087 0.000 2.490 142 H HA 0.280 4.829 4.556 -0.011 0.000 0.230 142 H C -1.169 174.157 175.328 -0.003 0.000 1.417 142 H CA -0.667 55.435 56.048 0.090 0.000 1.449 142 H CB 0.712 30.641 29.762 0.279 0.000 1.649 142 H HN 0.134 nan 8.280 nan 0.000 0.519 143 D N 2.699 123.137 120.400 0.063 0.000 2.631 143 D HA 0.075 4.709 4.640 -0.011 0.000 0.227 143 D C 1.868 178.194 176.300 0.045 0.000 1.146 143 D CA -0.206 53.816 54.000 0.037 0.000 1.009 143 D CB 0.098 40.925 40.800 0.044 0.000 1.057 143 D HN 0.614 nan 8.370 nan 0.000 0.509 144 I N -2.122 118.409 120.570 -0.066 0.000 2.830 144 I HA -0.014 4.149 4.170 -0.011 0.000 0.263 144 I C 0.214 176.480 176.117 0.247 0.000 1.230 144 I CA 0.429 61.726 61.300 -0.006 0.000 1.480 144 I CB 0.154 37.884 38.000 -0.451 0.000 1.095 144 I HN -0.188 nan 8.210 nan 0.000 0.455 145 V N 2.757 122.738 119.914 0.111 0.000 2.357 145 V HA 0.459 4.572 4.120 -0.011 0.000 0.284 145 V C -1.096 175.026 176.094 0.047 0.000 1.018 145 V CA -0.279 62.108 62.300 0.145 0.000 0.841 145 V CB 1.024 32.935 31.823 0.147 0.000 0.991 145 V HN 0.283 nan 8.190 nan 0.000 0.437 146 D N 4.136 124.563 120.400 0.045 0.000 2.362 146 D HA 0.270 4.903 4.640 -0.011 0.000 0.232 146 D C -0.870 175.424 176.300 -0.011 0.000 1.329 146 D CA -0.244 53.733 54.000 -0.039 0.000 0.944 146 D CB 0.575 41.409 40.800 0.057 0.000 1.471 146 D HN 0.818 nan 8.370 nan 0.000 0.533 147 H N 0.374 119.375 119.070 -0.116 0.000 3.016 147 H HA 0.389 4.938 4.556 -0.011 0.000 0.362 147 H C -1.263 173.944 175.328 -0.202 0.000 1.233 147 H CA -0.710 55.276 56.048 -0.103 0.000 1.124 147 H CB 0.525 30.196 29.762 -0.151 0.000 1.850 147 H HN 0.047 nan 8.280 nan 0.000 0.549 148 Y N 0.455 120.754 120.300 -0.001 0.000 2.354 148 Y HA 0.343 4.886 4.550 -0.012 0.000 0.322 148 Y C 0.602 176.375 175.900 -0.211 0.000 1.253 148 Y CA 0.005 57.965 58.100 -0.233 0.000 1.272 148 Y CB 1.874 40.025 38.460 -0.514 0.000 1.255 148 Y HN 0.569 nan 8.280 nan 0.000 0.500 149 T N 2.569 117.033 114.554 -0.150 0.000 2.791 149 T HA 0.400 4.743 4.350 -0.011 0.000 0.288 149 T C -1.470 173.163 174.700 -0.113 0.000 0.999 149 T CA -0.655 61.408 62.100 -0.062 0.000 0.952 149 T CB -0.136 68.729 68.868 -0.006 0.000 0.938 149 T HN 0.244 nan 8.240 nan 0.000 0.444 150 Y N 1.482 121.909 120.300 0.211 0.000 2.377 150 Y HA 0.678 5.221 4.550 -0.012 0.000 0.339 150 Y C 0.266 176.253 175.900 0.144 0.000 1.011 150 Y CA -1.056 57.221 58.100 0.295 0.000 1.093 150 Y CB 1.611 40.313 38.460 0.403 0.000 1.201 150 Y HN 0.778 nan 8.280 nan 0.000 0.455 151 A N 3.359 126.430 122.820 0.417 0.000 2.414 151 A HA 0.812 5.125 4.320 -0.011 0.000 0.306 151 A C -1.779 176.128 177.584 0.538 0.000 1.054 151 A CA -0.575 51.582 52.037 0.201 0.000 0.724 151 A CB 0.830 19.939 19.000 0.181 0.000 1.267 151 A HN 0.476 nan 8.150 nan 0.000 0.418 152 F N 1.937 121.907 119.950 0.034 0.000 2.422 152 F HA 0.753 5.273 4.527 -0.012 0.000 0.333 152 F C 0.530 176.384 175.800 0.090 0.000 1.095 152 F CA -1.121 56.957 58.000 0.129 0.000 1.038 152 F CB 1.683 40.734 39.000 0.086 0.000 1.156 152 F HN 0.711 nan 8.300 nan 0.000 0.483 153 M N 1.344 121.127 119.600 0.305 0.000 2.520 153 M HA 0.849 5.323 4.480 -0.011 0.000 0.280 153 M C -0.854 175.611 176.300 0.275 0.000 1.232 153 M CA -0.681 54.753 55.300 0.225 0.000 0.892 153 M CB 2.155 34.859 32.600 0.173 0.000 1.728 153 M HN 0.548 nan 8.290 nan 0.000 0.475 154 G N 0.142 109.102 108.800 0.266 0.000 3.075 154 G HA2 0.425 4.378 3.960 -0.011 0.000 0.253 154 G HA3 0.425 4.378 3.960 -0.011 0.000 0.253 154 G C -0.290 174.837 174.900 0.378 0.000 1.353 154 G CA -0.395 44.911 45.100 0.342 0.000 1.051 154 G HN 0.829 nan 8.290 nan 0.000 0.553 155 D N -0.111 120.525 120.400 0.394 0.000 2.144 155 D HA -0.107 4.527 4.640 -0.011 0.000 0.199 155 D C 2.421 178.721 176.300 -0.000 0.000 0.984 155 D CA 1.527 55.708 54.000 0.301 0.000 0.834 155 D CB -0.248 40.757 40.800 0.342 0.000 0.955 155 D HN 0.411 nan 8.370 nan 0.000 0.465 156 G N 0.788 109.624 108.800 0.060 0.000 2.421 156 G HA2 -0.262 3.691 3.960 -0.011 0.000 0.216 156 G HA3 -0.262 3.691 3.960 -0.011 0.000 0.216 156 G C 1.952 176.840 174.900 -0.020 0.000 1.171 156 G CA 0.866 45.965 45.100 -0.003 0.000 0.775 156 G HN 0.306 nan 8.290 nan 0.000 0.543 157 C N 0.606 119.928 119.300 0.037 0.000 2.429 157 C HA 0.016 4.470 4.460 -0.011 0.000 0.277 157 C C 2.971 177.950 174.990 -0.019 0.000 1.262 157 C CA 0.781 59.811 59.018 0.021 0.000 1.733 157 C CB -0.649 27.127 27.740 0.060 0.000 2.010 157 C HN 0.364 nan 8.230 nan 0.000 0.483 158 M N -0.088 119.479 119.600 -0.055 0.000 2.159 158 M HA -0.097 4.376 4.480 -0.011 0.000 0.263 158 M C 2.107 178.321 176.300 -0.144 0.000 1.063 158 M CA 1.657 56.912 55.300 -0.075 0.000 1.110 158 M CB -0.993 31.550 32.600 -0.095 0.000 1.374 158 M HN 0.438 nan 8.290 nan 0.000 0.411 159 M N -0.538 118.850 119.600 -0.352 0.000 2.254 159 M HA -0.079 4.395 4.480 -0.011 0.000 0.265 159 M C 0.454 176.682 176.300 -0.120 0.000 1.066 159 M CA 0.654 55.738 55.300 -0.360 0.000 1.123 159 M CB -0.131 32.198 32.600 -0.452 0.000 1.388 159 M HN 0.029 nan 8.290 nan 0.000 0.425 160 E N 0.576 120.732 120.200 -0.073 0.000 2.414 160 E HA -0.024 4.319 4.350 -0.011 0.000 0.263 160 E C 1.094 177.707 176.600 0.023 0.000 1.000 160 E CA 0.251 56.645 56.400 -0.009 0.000 0.914 160 E CB 0.749 30.451 29.700 0.002 0.000 0.948 160 E HN 0.340 nan 8.360 nan 0.000 0.444 161 G N 3.765 112.600 108.800 0.058 0.000 2.450 161 G HA2 -0.269 3.685 3.960 -0.011 0.000 0.220 161 G HA3 -0.269 3.685 3.960 -0.011 0.000 0.220 161 G C 1.448 176.399 174.900 0.085 0.000 1.130 161 G CA 0.327 45.483 45.100 0.094 0.000 0.760 161 G HN 0.627 nan 8.290 nan 0.000 0.557 162 I N 1.610 122.186 120.570 0.010 0.000 2.454 162 I HA -0.223 3.940 4.170 -0.011 0.000 0.254 162 I C 3.040 179.083 176.117 -0.124 0.000 1.156 162 I CA 1.678 62.885 61.300 -0.155 0.000 1.433 162 I CB -0.048 37.618 38.000 -0.557 0.000 1.082 162 I HN 0.349 nan 8.210 nan 0.000 0.432 163 S N -0.438 115.229 115.700 -0.055 0.000 2.382 163 S HA -0.335 4.128 4.470 -0.011 0.000 0.228 163 S C 2.051 176.602 174.600 -0.081 0.000 1.027 163 S CA 1.556 59.739 58.200 -0.030 0.000 0.991 163 S CB -0.777 62.449 63.200 0.044 0.000 0.823 163 S HN 0.717 nan 8.310 nan 0.000 0.469 164 H N 1.801 120.804 119.070 -0.112 0.000 2.321 164 H HA 0.018 4.568 4.556 -0.010 0.000 0.300 164 H C 2.006 177.159 175.328 -0.291 0.000 1.087 164 H CA 2.194 58.138 56.048 -0.173 0.000 1.319 164 H CB -0.497 29.256 29.762 -0.015 0.000 1.379 164 H HN 0.591 nan 8.280 nan 0.000 0.501 165 E N -0.269 119.735 120.200 -0.325 0.000 2.038 165 E HA -0.165 4.178 4.350 -0.011 0.000 0.195 165 E C 2.439 178.848 176.600 -0.318 0.000 1.000 165 E CA 1.967 58.165 56.400 -0.337 0.000 0.803 165 E CB -0.103 29.521 29.700 -0.126 0.000 0.750 165 E HN 0.545 nan 8.360 nan 0.000 0.448 166 V N -1.199 118.577 119.914 -0.231 0.000 2.591 166 V HA -0.107 4.006 4.120 -0.011 0.000 0.249 166 V C 2.182 178.200 176.094 -0.126 0.000 1.053 166 V CA 1.091 63.307 62.300 -0.139 0.000 1.068 166 V CB -0.554 31.222 31.823 -0.077 0.000 0.689 166 V HN 0.281 nan 8.190 nan 0.000 0.462 167 C N 0.437 119.585 119.300 -0.252 0.000 2.467 167 C HA -0.000 4.453 4.460 -0.011 0.000 0.279 167 C C 3.237 177.948 174.990 -0.466 0.000 1.347 167 C CA 1.290 60.186 59.018 -0.204 0.000 1.748 167 C CB -0.732 26.685 27.740 -0.538 0.000 1.977 167 C HN 0.731 nan 8.230 nan 0.000 0.501 168 S N 0.940 116.030 115.700 -1.016 0.000 2.353 168 S HA -0.187 4.276 4.470 -0.011 0.000 0.222 168 S C 1.807 176.244 174.600 -0.271 0.000 1.035 168 S CA 1.709 59.438 58.200 -0.784 0.000 1.025 168 S CB -0.383 62.338 63.200 -0.798 0.000 0.902 168 S HN 0.478 nan 8.310 nan 0.000 0.440 169 L N 1.799 122.888 121.223 -0.224 0.000 2.093 169 L HA 0.178 4.511 4.340 -0.011 0.000 0.208 169 L C 2.510 179.334 176.870 -0.077 0.000 1.085 169 L CA 1.976 56.743 54.840 -0.121 0.000 0.755 169 L CB -1.296 40.705 42.059 -0.097 0.000 0.904 169 L HN 0.350 nan 8.230 nan 0.000 0.435 170 A N -0.578 122.226 122.820 -0.026 0.000 1.940 170 A HA -0.112 4.202 4.320 -0.011 0.000 0.219 170 A C 2.336 179.856 177.584 -0.107 0.000 1.176 170 A CA 1.624 53.637 52.037 -0.040 0.000 0.631 170 A CB -1.515 17.533 19.000 0.081 0.000 0.814 170 A HN 0.523 nan 8.150 nan 0.000 0.446 171 G N -1.122 107.700 108.800 0.037 0.000 2.421 171 G HA2 -0.151 3.803 3.960 -0.011 0.000 0.216 171 G HA3 -0.151 3.803 3.960 -0.011 0.000 0.216 171 G C 1.581 176.469 174.900 -0.019 0.000 1.171 171 G CA 1.608 46.727 45.100 0.032 0.000 0.775 171 G HN 0.422 nan 8.290 nan 0.000 0.543 172 T N 1.422 115.964 114.554 -0.021 0.000 2.720 172 T HA -0.061 4.282 4.350 -0.011 0.000 0.268 172 T C 2.191 176.851 174.700 -0.066 0.000 1.037 172 T CA 0.889 62.966 62.100 -0.038 0.000 1.144 172 T CB -0.192 68.647 68.868 -0.048 0.000 0.864 172 T HN 0.139 nan 8.240 nan 0.000 0.444 173 L N 0.220 121.387 121.223 -0.094 0.000 2.599 173 L HA 0.195 4.528 4.340 -0.011 0.000 0.230 173 L C 0.494 177.286 176.870 -0.130 0.000 1.141 173 L CA 0.160 54.931 54.840 -0.115 0.000 0.877 173 L CB -0.365 41.612 42.059 -0.137 0.000 1.009 173 L HN 0.234 nan 8.230 nan 0.000 0.447 174 K N 0.990 121.308 120.400 -0.137 0.000 3.257 174 K HA -0.174 4.139 4.320 -0.011 0.000 0.270 174 K C -0.267 176.220 176.600 -0.189 0.000 0.984 174 K CA 0.276 56.473 56.287 -0.149 0.000 0.739 174 K CB -1.718 30.720 32.500 -0.104 0.000 1.351 174 K HN 0.328 nan 8.250 nan 0.000 0.463 175 L N 0.663 121.737 121.223 -0.248 0.000 2.382 175 L HA 0.056 4.389 4.340 -0.011 0.000 0.259 175 L C 1.887 178.588 176.870 -0.283 0.000 1.291 175 L CA 0.156 54.840 54.840 -0.261 0.000 1.176 175 L CB 0.066 41.966 42.059 -0.266 0.000 1.373 175 L HN 0.476 nan 8.230 nan 0.000 0.426 176 G N 1.180 109.842 108.800 -0.230 0.000 2.535 176 G HA2 -0.172 3.781 3.960 -0.011 0.000 0.218 176 G HA3 -0.172 3.781 3.960 -0.011 0.000 0.218 176 G C 1.387 176.170 174.900 -0.196 0.000 1.122 176 G CA 0.227 45.209 45.100 -0.197 0.000 0.769 176 G HN 0.503 nan 8.290 nan 0.000 0.549 177 K N -0.745 119.483 120.400 -0.288 0.000 2.372 177 K HA 0.251 4.565 4.320 -0.011 0.000 0.200 177 K C -0.234 176.234 176.600 -0.220 0.000 1.022 177 K CA -0.535 55.502 56.287 -0.418 0.000 1.125 177 K CB 0.503 32.573 32.500 -0.717 0.000 0.855 177 K HN 0.211 nan 8.250 nan 0.000 0.524 178 L N 1.776 122.884 121.223 -0.191 0.000 2.265 178 L HA 0.377 4.711 4.340 -0.011 0.000 0.288 178 L C -0.875 175.948 176.870 -0.079 0.000 1.058 178 L CA -0.156 54.600 54.840 -0.140 0.000 0.809 178 L CB 0.511 42.453 42.059 -0.195 0.000 1.179 178 L HN -0.000 nan 8.230 nan 0.000 0.429 179 I N 5.651 126.239 120.570 0.031 0.000 2.468 179 I HA 0.592 4.755 4.170 -0.011 0.000 0.285 179 I C -0.387 175.883 176.117 0.256 0.000 1.039 179 I CA -0.538 60.826 61.300 0.108 0.000 1.074 179 I CB 1.753 39.826 38.000 0.122 0.000 1.228 179 I HN 0.766 nan 8.210 nan 0.000 0.436 180 A N 6.387 129.357 122.820 0.250 0.000 2.337 180 A HA 0.855 5.168 4.320 -0.011 0.000 0.329 180 A C -1.206 176.467 177.584 0.148 0.000 1.146 180 A CA -0.302 51.942 52.037 0.344 0.000 0.800 180 A CB 0.632 19.866 19.000 0.390 0.000 1.220 180 A HN 0.500 nan 8.150 nan 0.000 0.472 181 F N 1.672 121.790 119.950 0.279 0.000 2.402 181 F HA 0.366 4.886 4.527 -0.012 0.000 0.355 181 F C -0.350 175.510 175.800 0.100 0.000 1.123 181 F CA -0.499 57.582 58.000 0.135 0.000 1.021 181 F CB 1.288 40.298 39.000 0.016 0.000 1.160 181 F HN 0.578 nan 8.300 nan 0.000 0.451 182 Y N 3.398 123.723 120.300 0.042 0.000 2.383 182 Y HA 0.282 4.825 4.550 -0.012 0.000 0.344 182 Y C -0.069 175.814 175.900 -0.028 0.000 0.986 182 Y CA -1.798 56.291 58.100 -0.019 0.000 1.175 182 Y CB 0.512 38.907 38.460 -0.109 0.000 1.152 182 Y HN 0.533 nan 8.280 nan 0.000 0.511 183 D N 4.822 125.174 120.400 -0.080 0.000 2.455 183 D HA 0.009 4.642 4.640 -0.011 0.000 0.234 183 D C -0.869 175.142 176.300 -0.482 0.000 1.224 183 D CA 0.189 54.048 54.000 -0.235 0.000 0.999 183 D CB -0.281 40.473 40.800 -0.077 0.000 1.072 183 D HN 0.490 nan 8.370 nan 0.000 0.514 184 D N 2.424 122.397 120.400 -0.710 0.000 2.517 184 D HA 0.012 4.645 4.640 -0.011 0.000 0.220 184 D C 0.521 176.647 176.300 -0.290 0.000 1.158 184 D CA -0.306 53.232 54.000 -0.770 0.000 0.992 184 D CB -0.212 40.133 40.800 -0.759 0.000 1.058 184 D HN 0.358 nan 8.370 nan 0.000 0.516 185 N N 1.639 120.252 118.700 -0.145 0.000 2.184 185 N HA 0.118 4.852 4.740 -0.011 0.000 0.206 185 N C 1.396 176.924 175.510 0.030 0.000 1.151 185 N CA 0.290 53.325 53.050 -0.023 0.000 0.878 185 N CB 0.346 38.849 38.487 0.028 0.000 1.014 185 N HN 0.264 nan 8.380 nan 0.000 0.512 186 G N 0.032 108.854 108.800 0.037 0.000 2.168 186 G HA2 -0.215 3.739 3.960 -0.011 0.000 0.263 186 G HA3 -0.215 3.739 3.960 -0.011 0.000 0.263 186 G C -0.449 174.495 174.900 0.073 0.000 0.977 186 G CA 0.602 45.740 45.100 0.063 0.000 0.659 186 G HN 0.332 nan 8.290 nan 0.000 0.533 187 I N 1.074 121.696 120.570 0.086 0.000 2.545 187 I HA 0.642 4.805 4.170 -0.011 0.000 0.292 187 I C 0.533 176.736 176.117 0.144 0.000 1.040 187 I CA -0.262 61.084 61.300 0.076 0.000 1.068 187 I CB 1.735 39.764 38.000 0.050 0.000 1.251 187 I HN 0.393 nan 8.210 nan 0.000 0.424 188 S N 5.333 121.152 115.700 0.197 0.000 2.851 188 S HA 0.618 5.082 4.470 -0.011 0.000 0.317 188 S C 1.041 175.651 174.600 0.016 0.000 1.144 188 S CA -0.736 57.539 58.200 0.125 0.000 0.862 188 S CB 1.475 64.832 63.200 0.262 0.000 1.259 188 S HN 0.445 nan 8.310 nan 0.000 0.564 189 I N 1.035 121.505 120.570 -0.167 0.000 2.286 189 I HA -0.141 4.022 4.170 -0.011 0.000 0.248 189 I C 1.310 177.329 176.117 -0.164 0.000 1.115 189 I CA 1.474 62.652 61.300 -0.203 0.000 1.392 189 I CB -0.407 37.445 38.000 -0.246 0.000 1.065 189 I HN 0.601 nan 8.210 nan 0.000 0.418 190 D N 0.523 120.794 120.400 -0.215 0.000 2.348 190 D HA 0.113 4.746 4.640 -0.011 0.000 0.216 190 D C 1.015 177.317 176.300 0.004 0.000 0.970 190 D CA 1.059 54.864 54.000 -0.325 0.000 0.889 190 D CB 0.253 40.488 40.800 -0.943 0.000 0.912 190 D HN 0.524 nan 8.370 nan 0.000 0.524 191 G N -0.813 108.122 108.800 0.225 0.000 2.250 191 G HA2 -0.154 3.799 3.960 -0.011 0.000 0.189 191 G HA3 -0.154 3.799 3.960 -0.011 0.000 0.189 191 G C -0.904 174.132 174.900 0.228 0.000 1.298 191 G CA -0.888 44.333 45.100 0.202 0.000 1.246 191 G HN 0.144 nan 8.290 nan 0.000 0.513 192 H N 1.865 121.021 119.070 0.143 0.000 2.975 192 H HA 0.228 4.776 4.556 -0.012 0.000 0.303 192 H C 2.092 177.113 175.328 -0.511 0.000 1.023 192 H CA 0.785 56.786 56.048 -0.078 0.000 1.473 192 H CB 1.437 31.155 29.762 -0.074 0.000 1.498 192 H HN 0.830 nan 8.280 nan 0.000 0.549 193 V N 1.816 121.524 119.914 -0.344 0.000 2.867 193 V HA -0.195 3.918 4.120 -0.011 0.000 0.260 193 V C 1.377 176.914 176.094 -0.928 0.000 1.099 193 V CA 1.383 63.215 62.300 -0.780 0.000 1.122 193 V CB -0.335 31.426 31.823 -0.103 0.000 0.708 193 V HN 0.526 nan 8.190 nan 0.000 0.490 194 E N 2.170 122.056 120.200 -0.523 0.000 2.267 194 E HA -0.033 4.311 4.350 -0.011 0.000 0.197 194 E C 2.206 178.588 176.600 -0.363 0.000 0.998 194 E CA 1.345 57.532 56.400 -0.356 0.000 0.830 194 E CB -0.834 28.738 29.700 -0.214 0.000 0.751 194 E HN 0.712 nan 8.360 nan 0.000 0.491 195 G N -0.082 108.377 108.800 -0.569 0.000 2.534 195 G HA2 -0.155 3.799 3.960 -0.011 0.000 0.217 195 G HA3 -0.155 3.799 3.960 -0.011 0.000 0.217 195 G C 0.746 175.719 174.900 0.120 0.000 1.128 195 G CA 0.828 45.821 45.100 -0.178 0.000 0.784 195 G HN 0.549 nan 8.290 nan 0.000 0.542 196 W N -3.779 117.581 121.300 0.099 0.000 1.807 196 W HA 0.625 5.282 4.660 -0.004 0.000 0.251 196 W C -0.605 176.043 176.519 0.216 0.000 0.848 196 W CA -1.227 56.185 57.345 0.112 0.000 1.157 196 W CB 0.385 29.889 29.460 0.072 0.000 0.992 196 W HN -0.097 nan 8.180 nan 0.000 0.506 197 F N 3.699 123.560 119.950 -0.149 0.000 2.831 197 F HA 0.517 5.036 4.527 -0.012 0.000 0.346 197 F C 0.157 175.903 175.800 -0.091 0.000 1.224 197 F CA -1.226 56.744 58.000 -0.050 0.000 1.048 197 F CB 1.175 40.178 39.000 0.005 0.000 1.339 197 F HN 0.049 nan 8.300 nan 0.000 0.514 198 T N -0.253 114.166 114.554 -0.225 0.000 3.209 198 T HA 0.229 4.572 4.350 -0.011 0.000 0.295 198 T C -0.246 174.273 174.700 -0.302 0.000 0.977 198 T CA -0.347 61.586 62.100 -0.278 0.000 0.922 198 T CB -0.354 68.434 68.868 -0.132 0.000 1.152 198 T HN 0.257 nan 8.240 nan 0.000 0.527 199 D N 3.125 123.285 120.400 -0.400 0.000 2.506 199 D HA 0.107 4.740 4.640 -0.011 0.000 0.234 199 D C 0.054 176.209 176.300 -0.240 0.000 1.143 199 D CA 0.384 54.239 54.000 -0.241 0.000 0.871 199 D CB 0.447 41.166 40.800 -0.135 0.000 1.190 199 D HN 0.220 nan 8.370 nan 0.000 0.459 200 D N 1.400 121.717 120.400 -0.138 0.000 2.470 200 D HA 0.016 4.649 4.640 -0.011 0.000 0.226 200 D C 0.619 176.871 176.300 -0.080 0.000 1.196 200 D CA -0.019 53.917 54.000 -0.106 0.000 0.979 200 D CB 0.156 40.908 40.800 -0.080 0.000 1.059 200 D HN 0.136 nan 8.370 nan 0.000 0.515 201 T N 1.768 116.274 114.554 -0.080 0.000 2.788 201 T HA -0.148 4.195 4.350 -0.011 0.000 0.268 201 T C 1.847 176.550 174.700 0.006 0.000 1.044 201 T CA 1.460 63.544 62.100 -0.027 0.000 1.139 201 T CB 0.065 68.880 68.868 -0.088 0.000 0.867 201 T HN 0.518 nan 8.240 nan 0.000 0.454 202 A N 1.412 124.217 122.820 -0.025 0.000 1.877 202 A HA -0.070 4.243 4.320 -0.011 0.000 0.216 202 A C 2.310 179.891 177.584 -0.004 0.000 1.186 202 A CA 1.825 53.852 52.037 -0.018 0.000 0.620 202 A CB -0.726 18.257 19.000 -0.030 0.000 0.822 202 A HN 0.516 nan 8.150 nan 0.000 0.443 203 M N -0.804 118.776 119.600 -0.034 0.000 2.117 203 M HA -0.181 4.292 4.480 -0.011 0.000 0.262 203 M C 2.358 178.594 176.300 -0.108 0.000 1.065 203 M CA 2.090 57.357 55.300 -0.055 0.000 1.114 203 M CB -0.223 32.341 32.600 -0.061 0.000 1.361 203 M HN 0.520 nan 8.290 nan 0.000 0.408 204 R N -0.339 120.081 120.500 -0.134 0.000 2.083 204 R HA -0.195 4.139 4.340 -0.011 0.000 0.237 204 R C 1.806 177.733 176.300 -0.621 0.000 1.137 204 R CA 2.139 58.038 56.100 -0.335 0.000 0.951 204 R CB -0.516 29.650 30.300 -0.223 0.000 0.851 204 R HN 0.372 nan 8.270 nan 0.000 0.434 205 F N 1.259 120.935 119.950 -0.456 0.000 2.259 205 F HA -0.020 4.500 4.527 -0.012 0.000 0.298 205 F C 2.240 177.968 175.800 -0.121 0.000 1.088 205 F CA 1.237 59.002 58.000 -0.391 0.000 1.358 205 F CB -0.133 38.657 39.000 -0.349 0.000 1.040 205 F HN 0.137 nan 8.300 nan 0.000 0.505 206 E N -0.111 120.124 120.200 0.059 0.000 2.153 206 E HA -0.188 4.155 4.350 -0.011 0.000 0.194 206 E C 2.352 178.968 176.600 0.027 0.000 0.988 206 E CA 0.914 57.360 56.400 0.077 0.000 0.811 206 E CB -0.282 29.440 29.700 0.037 0.000 0.746 206 E HN 0.361 nan 8.360 nan 0.000 0.466 207 A N 0.519 123.273 122.820 -0.110 0.000 2.015 207 A HA -0.155 4.158 4.320 -0.011 0.000 0.219 207 A C 1.319 178.909 177.584 0.009 0.000 1.163 207 A CA 0.977 52.951 52.037 -0.106 0.000 0.646 207 A CB -0.440 18.434 19.000 -0.209 0.000 0.806 207 A HN 0.240 nan 8.150 nan 0.000 0.448 208 Y N -0.717 119.587 120.300 0.007 0.000 2.529 208 Y HA 0.319 4.861 4.550 -0.013 0.000 0.290 208 Y C 1.895 177.927 175.900 0.219 0.000 1.177 208 Y CA -0.270 57.866 58.100 0.061 0.000 1.305 208 Y CB -0.752 37.666 38.460 -0.069 0.000 1.047 208 Y HN 0.433 nan 8.280 nan 0.000 0.522 209 G N -1.596 107.403 108.800 0.331 0.000 2.137 209 G HA2 -0.275 3.679 3.960 -0.011 0.000 0.237 209 G HA3 -0.275 3.679 3.960 -0.011 0.000 0.237 209 G C -0.257 174.841 174.900 0.331 0.000 1.002 209 G CA -0.271 44.986 45.100 0.261 0.000 0.702 209 G HN 0.216 nan 8.290 nan 0.000 0.515 210 W N 0.260 121.656 121.300 0.160 0.000 2.303 210 W HA 0.596 5.250 4.660 -0.009 0.000 0.334 210 W C 0.899 177.520 176.519 0.171 0.000 1.197 210 W CA -0.776 56.686 57.345 0.195 0.000 1.262 210 W CB 0.454 30.106 29.460 0.320 0.000 1.153 210 W HN 0.190 nan 8.180 nan 0.000 0.596 211 H N 2.086 121.316 119.070 0.267 0.000 2.742 211 H HA 0.381 4.931 4.556 -0.011 0.000 0.302 211 H C -1.039 174.413 175.328 0.207 0.000 1.069 211 H CA 0.027 56.177 56.048 0.171 0.000 1.446 211 H CB 0.693 30.502 29.762 0.079 0.000 1.462 211 H HN 0.119 nan 8.280 nan 0.000 0.499 212 V N 8.008 127.772 119.914 -0.250 0.000 2.495 212 V HA 0.258 4.371 4.120 -0.011 0.000 0.298 212 V C 0.292 176.220 176.094 -0.278 0.000 1.031 212 V CA -0.742 61.473 62.300 -0.142 0.000 0.871 212 V CB 1.759 33.562 31.823 -0.033 0.000 0.988 212 V HN 0.636 nan 8.190 nan 0.000 0.432 213 I N 5.055 125.533 120.570 -0.154 0.000 2.359 213 I HA 0.480 4.643 4.170 -0.011 0.000 0.284 213 I C 0.428 176.505 176.117 -0.067 0.000 1.018 213 I CA -0.408 60.828 61.300 -0.107 0.000 1.173 213 I CB 1.006 38.979 38.000 -0.044 0.000 1.326 213 I HN 0.517 nan 8.210 nan 0.000 0.462 214 R N 4.479 124.943 120.500 -0.059 0.000 2.560 214 R HA 0.234 4.567 4.340 -0.011 0.000 0.270 214 R C -0.233 176.046 176.300 -0.034 0.000 1.074 214 R CA -0.509 55.566 56.100 -0.043 0.000 1.140 214 R CB 0.419 30.695 30.300 -0.039 0.000 1.073 214 R HN 0.547 nan 8.270 nan 0.000 0.527 215 D N 0.690 121.069 120.400 -0.035 0.000 2.723 215 D HA -0.183 4.450 4.640 -0.011 0.000 0.236 215 D C -0.608 175.674 176.300 -0.029 0.000 1.138 215 D CA 0.962 54.943 54.000 -0.032 0.000 0.676 215 D CB -1.174 39.612 40.800 -0.023 0.000 1.069 215 D HN 0.392 nan 8.370 nan 0.000 0.430 216 I N 0.742 121.289 120.570 -0.038 0.000 2.441 216 I HA 0.021 4.184 4.170 -0.011 0.000 0.287 216 I C 1.054 177.140 176.117 -0.052 0.000 1.049 216 I CA -0.267 61.012 61.300 -0.034 0.000 1.381 216 I CB 0.706 38.688 38.000 -0.030 0.000 1.409 216 I HN -0.166 nan 8.210 nan 0.000 0.523 217 D N 5.817 126.195 120.400 -0.036 0.000 2.359 217 D HA 0.071 4.704 4.640 -0.011 0.000 0.250 217 D C 1.192 177.429 176.300 -0.104 0.000 1.264 217 D CA -0.104 53.869 54.000 -0.045 0.000 0.911 217 D CB 1.255 42.055 40.800 -0.000 0.000 1.056 217 D HN 0.709 nan 8.370 nan 0.000 0.499 218 G N 2.910 111.576 108.800 -0.224 0.000 2.776 218 G HA2 -0.170 3.783 3.960 -0.011 0.000 0.209 218 G HA3 -0.170 3.783 3.960 -0.011 0.000 0.209 218 G C 0.862 175.420 174.900 -0.569 0.000 1.145 218 G CA 0.243 45.117 45.100 -0.377 0.000 0.791 218 G HN 0.603 nan 8.290 nan 0.000 0.530 219 H N -0.596 118.391 119.070 -0.138 0.000 2.528 219 H HA 0.192 4.741 4.556 -0.012 0.000 0.282 219 H C -0.734 174.518 175.328 -0.125 0.000 1.097 219 H CA -0.393 55.517 56.048 -0.230 0.000 1.121 219 H CB 0.959 30.529 29.762 -0.321 0.000 1.590 219 H HN 0.346 nan 8.280 nan 0.000 0.553 220 D N 0.054 120.450 120.400 -0.006 0.000 2.505 220 D HA 0.412 5.045 4.640 -0.011 0.000 0.250 220 D C 1.099 177.406 176.300 0.012 0.000 1.164 220 D CA -0.349 53.661 54.000 0.016 0.000 0.870 220 D CB 1.216 42.032 40.800 0.027 0.000 1.160 220 D HN 0.084 nan 8.370 nan 0.000 0.549 221 A N 3.644 126.474 122.820 0.017 0.000 1.917 221 A HA -0.093 4.221 4.320 -0.011 0.000 0.219 221 A C 2.178 179.790 177.584 0.048 0.000 1.182 221 A CA 2.043 54.097 52.037 0.029 0.000 0.633 221 A CB -0.821 18.191 19.000 0.019 0.000 0.819 221 A HN 0.666 nan 8.150 nan 0.000 0.448 222 A N -0.636 122.209 122.820 0.040 0.000 1.883 222 A HA -0.099 4.214 4.320 -0.011 0.000 0.217 222 A C 2.465 180.081 177.584 0.053 0.000 1.186 222 A CA 2.205 54.270 52.037 0.047 0.000 0.624 222 A CB -0.938 18.084 19.000 0.037 0.000 0.822 222 A HN 0.481 nan 8.150 nan 0.000 0.444 223 S N -0.171 115.553 115.700 0.040 0.000 2.368 223 S HA -0.119 4.345 4.470 -0.011 0.000 0.225 223 S C 1.814 176.441 174.600 0.046 0.000 1.030 223 S CA 1.549 59.770 58.200 0.035 0.000 0.999 223 S CB -0.514 62.697 63.200 0.018 0.000 0.844 223 S HN 0.540 nan 8.310 nan 0.000 0.459 224 I N 1.463 122.066 120.570 0.055 0.000 2.179 224 I HA -0.203 3.960 4.170 -0.011 0.000 0.242 224 I C 2.508 178.700 176.117 0.125 0.000 1.088 224 I CA 1.254 62.609 61.300 0.091 0.000 1.357 224 I CB -0.288 37.769 38.000 0.094 0.000 1.051 224 I HN 0.213 nan 8.210 nan 0.000 0.409 225 K N 1.087 121.579 120.400 0.154 0.000 2.063 225 K HA -0.233 4.080 4.320 -0.011 0.000 0.208 225 K C 2.449 179.157 176.600 0.180 0.000 1.048 225 K CA 1.427 57.861 56.287 0.245 0.000 0.928 225 K CB -0.127 32.513 32.500 0.232 0.000 0.713 225 K HN 0.106 nan 8.250 nan 0.000 0.442 226 R N 0.117 120.686 120.500 0.115 0.000 2.091 226 R HA -0.135 4.198 4.340 -0.011 0.000 0.238 226 R C 2.095 178.427 176.300 0.053 0.000 1.136 226 R CA 1.458 57.609 56.100 0.085 0.000 0.959 226 R CB -0.304 30.034 30.300 0.064 0.000 0.856 226 R HN 0.317 nan 8.270 nan 0.000 0.437 227 A N 0.159 123.001 122.820 0.036 0.000 1.930 227 A HA -0.082 4.231 4.320 -0.011 0.000 0.217 227 A C 2.262 179.815 177.584 -0.052 0.000 1.175 227 A CA 1.401 53.442 52.037 0.006 0.000 0.627 227 A CB -0.402 18.597 19.000 -0.002 0.000 0.815 227 A HN 0.214 nan 8.150 nan 0.000 0.443 228 V N 0.101 119.951 119.914 -0.107 0.000 2.358 228 V HA -0.263 3.850 4.120 -0.011 0.000 0.246 228 V C 2.360 178.273 176.094 -0.301 0.000 1.047 228 V CA 2.243 64.358 62.300 -0.309 0.000 1.035 228 V CB -0.901 30.524 31.823 -0.662 0.000 0.658 228 V HN 0.634 nan 8.190 nan 0.000 0.452 229 E N -0.042 120.077 120.200 -0.136 0.000 2.085 229 E HA -0.279 4.064 4.350 -0.011 0.000 0.194 229 E C 2.291 178.890 176.600 -0.003 0.000 0.994 229 E CA 1.518 57.924 56.400 0.009 0.000 0.801 229 E CB -0.146 29.631 29.700 0.129 0.000 0.743 229 E HN 0.704 nan 8.360 nan 0.000 0.453 230 E N 0.559 120.762 120.200 0.004 0.000 2.077 230 E HA -0.210 4.133 4.350 -0.011 0.000 0.193 230 E C 2.049 178.632 176.600 -0.030 0.000 0.989 230 E CA 1.000 57.409 56.400 0.015 0.000 0.800 230 E CB -0.069 29.676 29.700 0.074 0.000 0.746 230 E HN 0.226 nan 8.360 nan 0.000 0.452 231 A N 1.217 124.025 122.820 -0.021 0.000 1.933 231 A HA -0.162 4.151 4.320 -0.011 0.000 0.218 231 A C 2.145 179.708 177.584 -0.036 0.000 1.175 231 A CA 1.438 53.461 52.037 -0.024 0.000 0.628 231 A CB -0.432 18.549 19.000 -0.032 0.000 0.814 231 A HN 0.192 nan 8.150 nan 0.000 0.444 232 R N -0.583 119.889 120.500 -0.047 0.000 2.148 232 R HA 0.038 4.371 4.340 -0.011 0.000 0.227 232 R C 2.175 178.506 176.300 0.053 0.000 1.103 232 R CA 0.919 57.028 56.100 0.014 0.000 0.983 232 R CB -0.313 29.941 30.300 -0.076 0.000 0.874 232 R HN 0.495 nan 8.270 nan 0.000 0.451 233 A N 0.717 123.535 122.820 -0.003 0.000 2.119 233 A HA 0.045 4.358 4.320 -0.011 0.000 0.216 233 A C 0.858 178.405 177.584 -0.062 0.000 1.152 233 A CA 0.326 52.355 52.037 -0.013 0.000 0.708 233 A CB 0.404 19.395 19.000 -0.015 0.000 0.805 233 A HN 0.025 nan 8.150 nan 0.000 0.460 234 V N 1.955 121.793 119.914 -0.127 0.000 2.339 234 V HA 0.143 4.257 4.120 -0.011 0.000 0.261 234 V C 1.489 177.520 176.094 -0.104 0.000 1.058 234 V CA 0.690 62.879 62.300 -0.185 0.000 0.897 234 V CB 0.348 31.918 31.823 -0.420 0.000 1.052 234 V HN 0.618 nan 8.190 nan 0.000 0.480 235 T N -0.880 113.627 114.554 -0.077 0.000 3.060 235 T HA -0.003 4.340 4.350 -0.011 0.000 0.249 235 T C 0.868 175.513 174.700 -0.093 0.000 1.079 235 T CA 0.562 62.620 62.100 -0.070 0.000 1.013 235 T CB -0.051 68.787 68.868 -0.050 0.000 0.975 235 T HN 0.673 nan 8.240 nan 0.000 0.518 236 D N 0.222 120.569 120.400 -0.090 0.000 2.431 236 D HA 0.219 4.852 4.640 -0.011 0.000 0.213 236 D C 0.167 176.407 176.300 -0.100 0.000 1.130 236 D CA -0.318 53.630 54.000 -0.087 0.000 0.834 236 D CB 0.195 40.959 40.800 -0.060 0.000 0.985 236 D HN 0.343 nan 8.370 nan 0.000 0.504 237 K N 0.835 121.163 120.400 -0.119 0.000 2.498 237 K HA 0.406 4.720 4.320 -0.011 0.000 0.254 237 K C -2.935 173.518 176.600 -0.244 0.000 0.933 237 K CA -1.925 54.273 56.287 -0.148 0.000 0.806 237 K CB 3.041 35.525 32.500 -0.027 0.000 1.301 237 K HN -0.151 nan 8.250 nan 0.000 0.432 238 P HA 0.075 nan 4.420 nan 0.000 0.272 238 P C -0.843 176.210 177.300 -0.412 0.000 1.223 238 P CA -0.297 62.365 63.100 -0.729 0.000 0.784 238 P CB 0.907 31.639 31.700 -1.614 0.000 0.923 239 S N 1.220 116.853 115.700 -0.112 0.000 2.482 239 S HA 0.521 4.985 4.470 -0.011 0.000 0.303 239 S C -0.523 174.331 174.600 0.424 0.000 1.091 239 S CA -0.509 57.833 58.200 0.238 0.000 1.057 239 S CB 0.858 64.153 63.200 0.157 0.000 1.031 239 S HN 0.380 nan 8.310 nan 0.000 0.485 240 L N 3.667 125.137 121.223 0.411 0.000 2.325 240 L HA 0.624 4.957 4.340 -0.011 0.000 0.281 240 L C -1.754 175.106 176.870 -0.015 0.000 1.004 240 L CA -0.560 54.367 54.840 0.144 0.000 0.823 240 L CB 0.932 42.907 42.059 -0.141 0.000 1.236 240 L HN 0.476 nan 8.230 nan 0.000 0.415 241 L N 6.350 127.515 121.223 -0.098 0.000 2.262 241 L HA 0.448 4.781 4.340 -0.011 0.000 0.288 241 L C -0.187 176.661 176.870 -0.036 0.000 1.035 241 L CA -0.086 54.682 54.840 -0.119 0.000 0.820 241 L CB 1.301 43.182 42.059 -0.296 0.000 1.204 241 L HN 0.540 nan 8.230 nan 0.000 0.424 242 M N 3.218 122.803 119.600 -0.026 0.000 2.557 242 M HA 0.159 4.632 4.480 -0.011 0.000 0.328 242 M C -0.741 175.515 176.300 -0.074 0.000 1.423 242 M CA 0.066 55.363 55.300 -0.006 0.000 1.418 242 M CB -0.058 32.541 32.600 -0.001 0.000 1.381 242 M HN 0.472 nan 8.290 nan 0.000 0.467 243 C N 3.611 122.839 119.300 -0.119 0.000 2.225 243 C HA 0.309 4.762 4.460 -0.011 0.000 0.328 243 C C 0.977 175.835 174.990 -0.219 0.000 1.187 243 C CA -0.946 57.986 59.018 -0.144 0.000 1.665 243 C CB -0.401 27.268 27.740 -0.118 0.000 2.253 243 C HN 0.640 nan 8.230 nan 0.000 0.497 244 K N 3.481 123.776 120.400 -0.175 0.000 2.378 244 K HA 0.363 4.676 4.320 -0.011 0.000 0.288 244 K C 0.539 177.026 176.600 -0.187 0.000 1.057 244 K CA 0.455 56.648 56.287 -0.156 0.000 0.971 244 K CB 0.241 32.690 32.500 -0.085 0.000 0.975 244 K HN 0.852 nan 8.250 nan 0.000 0.475 245 T N 1.050 115.508 114.554 -0.160 0.000 2.887 245 T HA 0.594 4.937 4.350 -0.011 0.000 0.292 245 T C -0.118 174.678 174.700 0.160 0.000 1.087 245 T CA -0.989 61.036 62.100 -0.124 0.000 1.009 245 T CB 0.760 69.498 68.868 -0.216 0.000 1.203 245 T HN 0.350 nan 8.240 nan 0.000 0.518 246 I N 1.733 122.597 120.570 0.490 0.000 2.355 246 I HA 0.384 4.547 4.170 -0.011 0.000 0.288 246 I C 0.233 176.512 176.117 0.271 0.000 0.999 246 I CA -1.050 60.447 61.300 0.328 0.000 1.163 246 I CB 1.377 39.572 38.000 0.324 0.000 1.316 246 I HN 0.660 nan 8.210 nan 0.000 0.454 247 I N 6.345 127.014 120.570 0.165 0.000 2.710 247 I HA 0.091 4.254 4.170 -0.011 0.000 0.286 247 I C 1.370 177.561 176.117 0.123 0.000 1.181 247 I CA 1.109 62.495 61.300 0.143 0.000 1.430 247 I CB 0.514 38.593 38.000 0.131 0.000 1.367 247 I HN 0.945 nan 8.210 nan 0.000 0.577 248 G N 5.816 114.686 108.800 0.117 0.000 2.179 248 G HA2 -0.351 3.602 3.960 -0.011 0.000 0.257 248 G HA3 -0.351 3.602 3.960 -0.011 0.000 0.257 248 G C 0.273 175.215 174.900 0.070 0.000 1.010 248 G CA 0.114 45.257 45.100 0.071 0.000 0.736 248 G HN 0.718 nan 8.290 nan 0.000 0.513 249 F N 0.875 120.802 119.950 -0.039 0.000 2.579 249 F HA 0.310 4.830 4.527 -0.012 0.000 0.397 249 F C 1.561 177.294 175.800 -0.112 0.000 1.027 249 F CA 2.068 59.996 58.000 -0.121 0.000 1.217 249 F CB 0.242 39.102 39.000 -0.234 0.000 0.986 249 F HN 1.097 nan 8.300 nan 0.000 0.551 250 G N 2.965 111.424 108.800 -0.569 0.000 2.307 250 G HA2 -0.226 3.727 3.960 -0.011 0.000 0.210 250 G HA3 -0.226 3.727 3.960 -0.011 0.000 0.210 250 G C 0.306 175.073 174.900 -0.222 0.000 1.005 250 G CA -0.025 44.865 45.100 -0.349 0.000 0.634 250 G HN 1.060 nan 8.290 nan 0.000 0.496 251 S N 2.366 117.965 115.700 -0.168 0.000 2.422 251 S HA 0.562 5.025 4.470 -0.011 0.000 0.283 251 S C -0.339 174.186 174.600 -0.124 0.000 1.163 251 S CA -0.498 57.633 58.200 -0.114 0.000 1.054 251 S CB 1.468 64.623 63.200 -0.076 0.000 0.967 251 S HN 0.092 nan 8.310 nan 0.000 0.499 252 P HA -0.062 nan 4.420 nan 0.000 0.216 252 P C 0.735 177.991 177.300 -0.074 0.000 1.150 252 P CA 1.207 64.250 63.100 -0.096 0.000 0.837 252 P CB 0.124 31.780 31.700 -0.074 0.000 0.786 253 N N -1.400 117.264 118.700 -0.061 0.000 2.388 253 N HA 0.052 4.785 4.740 -0.011 0.000 0.176 253 N C 1.201 176.680 175.510 -0.051 0.000 1.062 253 N CA 0.604 53.625 53.050 -0.048 0.000 0.895 253 N CB 0.257 38.720 38.487 -0.040 0.000 1.018 253 N HN 0.258 nan 8.380 nan 0.000 0.456 254 K N 0.352 120.717 120.400 -0.057 0.000 2.380 254 K HA 0.310 4.623 4.320 -0.011 0.000 0.198 254 K C 0.317 176.889 176.600 -0.046 0.000 1.070 254 K CA -0.207 56.046 56.287 -0.058 0.000 1.040 254 K CB 1.150 33.617 32.500 -0.057 0.000 0.903 254 K HN -0.036 nan 8.250 nan 0.000 0.549 255 A N 1.030 123.818 122.820 -0.053 0.000 2.511 255 A HA 0.383 4.696 4.320 -0.011 0.000 0.242 255 A C 1.192 178.770 177.584 -0.010 0.000 1.069 255 A CA 0.976 52.990 52.037 -0.038 0.000 0.763 255 A CB -0.503 18.436 19.000 -0.102 0.000 1.001 255 A HN 0.530 nan 8.150 nan 0.000 0.498 256 G N 1.432 110.247 108.800 0.026 0.000 2.148 256 G HA2 -0.119 3.835 3.960 -0.011 0.000 0.254 256 G HA3 -0.119 3.835 3.960 -0.011 0.000 0.254 256 G C 0.438 175.346 174.900 0.013 0.000 0.981 256 G CA 1.283 46.409 45.100 0.043 0.000 0.670 256 G HN 2.346 nan 8.290 nan 0.000 0.528 257 T N -3.288 111.256 114.554 -0.016 0.000 2.908 257 T HA 0.623 4.966 4.350 -0.011 0.000 0.290 257 T C 1.366 176.032 174.700 -0.058 0.000 1.034 257 T CA 0.256 62.313 62.100 -0.072 0.000 1.010 257 T CB 1.394 70.183 68.868 -0.131 0.000 1.068 257 T HN 0.689 nan 8.240 nan 0.000 0.481 258 H N 1.020 120.078 119.070 -0.021 0.000 2.489 258 H HA -0.064 4.487 4.556 -0.008 0.000 0.293 258 H C 0.517 175.889 175.328 0.073 0.000 1.066 258 H CA 1.610 57.677 56.048 0.030 0.000 1.305 258 H CB -0.463 29.306 29.762 0.011 0.000 1.386 258 H HN 0.674 nan 8.280 nan 0.000 0.551 259 D N 1.342 121.455 120.400 -0.477 0.000 2.182 259 D HA -0.161 4.472 4.640 -0.011 0.000 0.201 259 D C 2.309 178.574 176.300 -0.058 0.000 0.986 259 D CA 2.118 55.966 54.000 -0.254 0.000 0.847 259 D CB -0.118 40.520 40.800 -0.270 0.000 0.942 259 D HN 0.586 nan 8.370 nan 0.000 0.467 260 S N -0.940 114.747 115.700 -0.021 0.000 2.562 260 S HA -0.080 4.383 4.470 -0.011 0.000 0.221 260 S C 1.739 176.385 174.600 0.077 0.000 0.975 260 S CA 0.324 58.535 58.200 0.019 0.000 0.918 260 S CB -0.302 62.908 63.200 0.018 0.000 0.772 260 S HN 0.399 nan 8.310 nan 0.000 0.531 261 H N 2.087 121.193 119.070 0.059 0.000 2.321 261 H HA 0.144 4.694 4.556 -0.009 0.000 0.300 261 H C 1.571 176.987 175.328 0.147 0.000 1.087 261 H CA 1.970 58.094 56.048 0.125 0.000 1.319 261 H CB -0.575 29.263 29.762 0.127 0.000 1.379 261 H HN 0.469 nan 8.280 nan 0.000 0.501 262 G N -1.588 107.127 108.800 -0.142 0.000 4.530 262 G HA2 0.579 4.533 3.960 -0.011 0.000 0.284 262 G HA3 0.579 4.533 3.960 -0.011 0.000 0.284 262 G C -0.750 173.940 174.900 -0.350 0.000 1.008 262 G CA 0.263 45.103 45.100 -0.434 0.000 0.770 262 G HN 0.652 nan 8.290 nan 0.000 0.424 263 A N 0.140 122.853 122.820 -0.178 0.000 2.587 263 A HA 0.887 5.201 4.320 -0.011 0.000 0.293 263 A C -3.115 174.427 177.584 -0.069 0.000 1.087 263 A CA -1.370 50.599 52.037 -0.114 0.000 0.692 263 A CB 1.340 20.307 19.000 -0.055 0.000 1.291 263 A HN -0.022 nan 8.150 nan 0.000 0.407 264 P HA 0.091 nan 4.420 nan 0.000 0.264 264 P C 0.773 178.059 177.300 -0.023 0.000 1.179 264 P CA 0.119 63.209 63.100 -0.017 0.000 0.763 264 P CB 0.373 32.072 31.700 -0.000 0.000 0.806 265 L N 1.572 122.780 121.223 -0.024 0.000 2.201 265 L HA 0.058 4.391 4.340 -0.011 0.000 0.212 265 L C 1.229 178.085 176.870 -0.023 0.000 1.105 265 L CA 1.177 56.000 54.840 -0.028 0.000 0.775 265 L CB -1.024 41.014 42.059 -0.035 0.000 0.913 265 L HN 0.740 nan 8.230 nan 0.000 0.440 266 G N -0.188 108.603 108.800 -0.016 0.000 2.692 266 G HA2 -0.190 3.763 3.960 -0.011 0.000 0.686 266 G HA3 -0.190 3.763 3.960 -0.011 0.000 0.686 266 G C -0.202 174.692 174.900 -0.010 0.000 1.243 266 G CA -0.295 44.799 45.100 -0.010 0.000 0.782 266 G HN 0.051 nan 8.290 nan 0.000 0.625 267 D N 0.558 120.956 120.400 -0.004 0.000 2.123 267 D HA -0.079 4.554 4.640 -0.011 0.000 0.196 267 D C 2.778 179.074 176.300 -0.006 0.000 0.992 267 D CA 2.302 56.300 54.000 -0.002 0.000 0.833 267 D CB -0.400 40.403 40.800 0.005 0.000 0.954 267 D HN 0.928 nan 8.370 nan 0.000 0.455 268 A N 0.733 123.549 122.820 -0.008 0.000 1.902 268 A HA -0.203 4.110 4.320 -0.011 0.000 0.217 268 A C 2.159 179.734 177.584 -0.015 0.000 1.181 268 A CA 1.849 53.880 52.037 -0.010 0.000 0.623 268 A CB -0.483 18.511 19.000 -0.010 0.000 0.818 268 A HN 0.131 nan 8.150 nan 0.000 0.443 269 E N 0.136 120.324 120.200 -0.020 0.000 2.106 269 E HA -0.074 4.269 4.350 -0.011 0.000 0.192 269 E C 1.689 178.271 176.600 -0.029 0.000 0.984 269 E CA 1.023 57.407 56.400 -0.027 0.000 0.806 269 E CB -0.369 29.312 29.700 -0.031 0.000 0.750 269 E HN 0.638 nan 8.360 nan 0.000 0.458 270 I N 0.259 120.813 120.570 -0.026 0.000 2.226 270 I HA -0.288 3.875 4.170 -0.011 0.000 0.245 270 I C 2.308 178.417 176.117 -0.014 0.000 1.100 270 I CA 1.071 62.354 61.300 -0.029 0.000 1.374 270 I CB -0.383 37.597 38.000 -0.032 0.000 1.057 270 I HN 0.186 nan 8.210 nan 0.000 0.413 271 A N 0.887 123.702 122.820 -0.009 0.000 1.902 271 A HA -0.172 4.141 4.320 -0.011 0.000 0.217 271 A C 2.277 179.858 177.584 -0.005 0.000 1.181 271 A CA 1.449 53.485 52.037 -0.001 0.000 0.623 271 A CB -0.846 18.152 19.000 -0.003 0.000 0.818 271 A HN 0.398 nan 8.150 nan 0.000 0.443 272 L N -0.792 120.421 121.223 -0.016 0.000 2.141 272 L HA -0.138 4.195 4.340 -0.011 0.000 0.209 272 L C 2.710 179.563 176.870 -0.028 0.000 1.094 272 L CA 1.595 56.420 54.840 -0.023 0.000 0.763 272 L CB -0.768 41.273 42.059 -0.031 0.000 0.908 272 L HN 0.349 nan 8.230 nan 0.000 0.437 273 T N -0.872 113.664 114.554 -0.030 0.000 2.777 273 T HA -0.142 4.201 4.350 -0.011 0.000 0.266 273 T C 2.044 176.743 174.700 -0.000 0.000 1.040 273 T CA 0.991 63.068 62.100 -0.037 0.000 1.141 273 T CB -0.125 68.714 68.868 -0.049 0.000 0.868 273 T HN 0.250 nan 8.240 nan 0.000 0.444 274 R N 0.775 121.295 120.500 0.032 0.000 2.091 274 R HA -0.132 4.201 4.340 -0.011 0.000 0.238 274 R C 2.585 178.931 176.300 0.076 0.000 1.136 274 R CA 1.666 57.829 56.100 0.106 0.000 0.959 274 R CB -0.213 30.158 30.300 0.120 0.000 0.856 274 R HN 0.558 nan 8.270 nan 0.000 0.437 275 E N 0.725 120.941 120.200 0.026 0.000 2.051 275 E HA -0.283 4.060 4.350 -0.011 0.000 0.192 275 E C 2.083 178.684 176.600 0.002 0.000 0.991 275 E CA 1.384 57.788 56.400 0.006 0.000 0.799 275 E CB 0.040 29.734 29.700 -0.010 0.000 0.748 275 E HN 0.303 nan 8.360 nan 0.000 0.449 276 Q N 0.192 119.982 119.800 -0.016 0.000 2.084 276 Q HA -0.141 4.193 4.340 -0.011 0.000 0.202 276 Q C 2.199 178.193 176.000 -0.011 0.000 0.978 276 Q CA 1.420 57.199 55.803 -0.040 0.000 0.844 276 Q CB -0.013 28.669 28.738 -0.093 0.000 0.898 276 Q HN 0.383 nan 8.270 nan 0.000 0.426 277 L N -0.750 120.491 121.223 0.030 0.000 2.478 277 L HA 0.120 4.453 4.340 -0.011 0.000 0.223 277 L C 1.210 178.166 176.870 0.143 0.000 1.140 277 L CA 0.412 55.311 54.840 0.099 0.000 0.842 277 L CB -0.204 41.932 42.059 0.129 0.000 0.953 277 L HN 0.544 nan 8.230 nan 0.000 0.452 278 G N -0.440 108.422 108.800 0.104 0.000 2.249 278 G HA2 -0.293 3.660 3.960 -0.011 0.000 0.273 278 G HA3 -0.293 3.660 3.960 -0.011 0.000 0.273 278 G C -0.082 174.887 174.900 0.113 0.000 1.036 278 G CA -0.148 44.998 45.100 0.076 0.000 0.824 278 G HN 0.465 nan 8.290 nan 0.000 0.504 279 W N 1.269 122.549 121.300 -0.032 0.000 2.342 279 W HA 0.460 5.114 4.660 -0.010 0.000 0.310 279 W C 0.923 177.374 176.519 -0.113 0.000 1.128 279 W CA -0.451 56.878 57.345 -0.026 0.000 1.322 279 W CB 0.521 29.994 29.460 0.023 0.000 1.251 279 W HN 0.345 nan 8.180 nan 0.000 0.439 280 K N 4.536 124.477 120.400 -0.766 0.000 2.387 280 K HA 0.058 4.372 4.320 -0.011 0.000 0.198 280 K C -0.898 175.198 176.600 -0.841 0.000 1.022 280 K CA 0.050 55.903 56.287 -0.724 0.000 1.128 280 K CB 0.004 32.069 32.500 -0.725 0.000 0.853 280 K HN 0.212 nan 8.250 nan 0.000 0.523 281 Y N 1.382 121.288 120.300 -0.658 0.000 2.361 281 Y HA 0.479 5.022 4.550 -0.011 0.000 0.332 281 Y C 0.677 176.567 175.900 -0.017 0.000 1.101 281 Y CA -1.280 56.611 58.100 -0.348 0.000 1.137 281 Y CB 1.249 39.436 38.460 -0.454 0.000 1.207 281 Y HN 0.056 nan 8.280 nan 0.000 0.463 282 A N 3.696 126.614 122.820 0.165 0.000 2.386 282 A HA 0.386 4.700 4.320 -0.011 0.000 0.246 282 A C -2.493 175.164 177.584 0.123 0.000 1.089 282 A CA -1.472 50.641 52.037 0.127 0.000 0.790 282 A CB -0.545 18.517 19.000 0.104 0.000 1.042 282 A HN 0.539 nan 8.150 nan 0.000 0.497 283 P HA 0.185 nan 4.420 nan 0.000 0.261 283 P C -0.440 176.774 177.300 -0.143 0.000 1.183 283 P CA 0.712 63.651 63.100 -0.267 0.000 0.761 283 P CB -0.258 31.278 31.700 -0.274 0.000 0.785 284 F N -0.414 119.588 119.950 0.087 0.000 2.884 284 F HA -0.212 4.308 4.527 -0.012 0.000 0.294 284 F C 0.657 176.512 175.800 0.091 0.000 0.723 284 F CA 0.684 58.717 58.000 0.054 0.000 1.294 284 F CB -2.133 36.880 39.000 0.021 0.000 1.551 284 F HN 0.333 nan 8.300 nan 0.000 0.363 285 E N 1.871 122.193 120.200 0.204 0.000 2.134 285 E HA 0.560 4.903 4.350 -0.011 0.000 0.278 285 E C -0.625 176.020 176.600 0.075 0.000 0.959 285 E CA -0.475 56.022 56.400 0.161 0.000 0.783 285 E CB 0.770 30.571 29.700 0.168 0.000 1.095 285 E HN 0.172 nan 8.360 nan 0.000 0.399 286 I N 6.791 127.353 120.570 -0.013 0.000 2.447 286 I HA 0.323 4.486 4.170 -0.011 0.000 0.287 286 I C -2.170 173.774 176.117 -0.289 0.000 1.023 286 I CA -2.481 58.668 61.300 -0.251 0.000 1.083 286 I CB 1.299 39.018 38.000 -0.468 0.000 1.245 286 I HN 0.501 nan 8.210 nan 0.000 0.434 287 P HA 0.162 nan 4.420 nan 0.000 0.274 287 P C 0.864 178.134 177.300 -0.051 0.000 1.237 287 P CA -0.198 62.729 63.100 -0.288 0.000 0.793 287 P CB 0.917 32.343 31.700 -0.456 0.000 0.977 288 S N 1.078 116.820 115.700 0.071 0.000 2.383 288 S HA -0.245 4.219 4.470 -0.011 0.000 0.229 288 S C 1.630 176.307 174.600 0.128 0.000 1.030 288 S CA 1.545 59.840 58.200 0.159 0.000 1.002 288 S CB -1.147 62.114 63.200 0.102 0.000 0.829 288 S HN 0.697 nan 8.310 nan 0.000 0.467 289 E N 1.376 121.612 120.200 0.060 0.000 2.153 289 E HA -0.108 4.235 4.350 -0.011 0.000 0.194 289 E C 2.078 178.720 176.600 0.071 0.000 0.988 289 E CA 1.279 57.713 56.400 0.057 0.000 0.811 289 E CB -0.591 29.131 29.700 0.037 0.000 0.746 289 E HN 0.630 nan 8.360 nan 0.000 0.466 290 I N 0.038 120.635 120.570 0.045 0.000 2.286 290 I HA -0.209 3.954 4.170 -0.011 0.000 0.245 290 I C 2.008 178.239 176.117 0.190 0.000 1.104 290 I CA 0.887 62.245 61.300 0.097 0.000 1.397 290 I CB -0.294 37.738 38.000 0.054 0.000 1.072 290 I HN 0.035 nan 8.210 nan 0.000 0.417 291 Y N 1.102 121.495 120.300 0.155 0.000 2.165 291 Y HA -0.259 4.284 4.550 -0.011 0.000 0.286 291 Y C 2.693 178.673 175.900 0.133 0.000 1.155 291 Y CA 1.270 59.455 58.100 0.141 0.000 1.164 291 Y CB -0.966 37.528 38.460 0.058 0.000 0.978 291 Y HN 0.132 nan 8.280 nan 0.000 0.513 292 A N -0.251 122.716 122.820 0.244 0.000 1.940 292 A HA -0.263 4.050 4.320 -0.011 0.000 0.219 292 A C 2.069 179.721 177.584 0.113 0.000 1.176 292 A CA 1.983 54.106 52.037 0.144 0.000 0.631 292 A CB -0.639 18.416 19.000 0.092 0.000 0.814 292 A HN 0.577 nan 8.150 nan 0.000 0.446 293 Q N -2.535 117.323 119.800 0.097 0.000 2.269 293 Q HA -0.097 4.236 4.340 -0.011 0.000 0.201 293 Q C 1.739 177.732 176.000 -0.012 0.000 0.946 293 Q CA 0.968 56.771 55.803 -0.000 0.000 0.877 293 Q CB -0.105 28.585 28.738 -0.080 0.000 0.963 293 Q HN 0.883 nan 8.270 nan 0.000 0.472 294 W N 1.309 122.655 121.300 0.077 0.000 2.576 294 W HA 0.015 4.668 4.660 -0.011 0.000 0.275 294 W C 0.384 176.977 176.519 0.123 0.000 1.241 294 W CA -0.297 57.106 57.345 0.097 0.000 1.328 294 W CB 0.352 29.863 29.460 0.085 0.000 1.092 294 W HN 0.020 nan 8.180 nan 0.000 0.586 295 D N -0.294 120.309 120.400 0.338 0.000 2.455 295 D HA 0.198 4.831 4.640 -0.011 0.000 0.241 295 D C 0.771 177.164 176.300 0.154 0.000 1.138 295 D CA 0.583 54.718 54.000 0.224 0.000 0.877 295 D CB 1.270 42.151 40.800 0.135 0.000 1.187 295 D HN 0.038 nan 8.370 nan 0.000 0.451 296 A N 3.740 126.630 122.820 0.116 0.000 2.508 296 A HA 0.099 4.412 4.320 -0.011 0.000 0.257 296 A C 1.654 179.176 177.584 -0.103 0.000 1.226 296 A CA -0.276 51.768 52.037 0.012 0.000 0.947 296 A CB 0.102 19.098 19.000 -0.007 0.000 1.079 296 A HN 0.581 nan 8.150 nan 0.000 0.531 297 K N 0.362 120.714 120.400 -0.081 0.000 2.032 297 K HA -0.199 4.115 4.320 -0.011 0.000 0.209 297 K C 1.858 178.394 176.600 -0.107 0.000 1.048 297 K CA 1.724 57.940 56.287 -0.119 0.000 0.927 297 K CB 0.004 32.447 32.500 -0.094 0.000 0.712 297 K HN 0.688 nan 8.250 nan 0.000 0.441 298 E N 0.674 120.831 120.200 -0.071 0.000 2.028 298 E HA -0.161 4.183 4.350 -0.011 0.000 0.191 298 E C 2.019 178.578 176.600 -0.069 0.000 0.988 298 E CA 0.970 57.333 56.400 -0.062 0.000 0.799 298 E CB -0.037 29.640 29.700 -0.038 0.000 0.755 298 E HN 0.288 nan 8.360 nan 0.000 0.447 299 A N 0.801 123.585 122.820 -0.060 0.000 1.902 299 A HA -0.092 4.221 4.320 -0.011 0.000 0.217 299 A C 2.401 179.934 177.584 -0.084 0.000 1.181 299 A CA 1.752 53.758 52.037 -0.052 0.000 0.623 299 A CB -1.202 17.782 19.000 -0.028 0.000 0.818 299 A HN 0.463 nan 8.150 nan 0.000 0.443 300 G N -1.093 107.623 108.800 -0.140 0.000 2.421 300 G HA2 -0.255 3.698 3.960 -0.011 0.000 0.216 300 G HA3 -0.255 3.698 3.960 -0.011 0.000 0.216 300 G C 1.631 176.386 174.900 -0.243 0.000 1.171 300 G CA 1.313 46.294 45.100 -0.198 0.000 0.775 300 G HN 0.514 nan 8.290 nan 0.000 0.543 301 Q N 0.669 120.348 119.800 -0.203 0.000 2.119 301 Q HA 0.171 4.504 4.340 -0.011 0.000 0.201 301 Q C 2.682 178.572 176.000 -0.184 0.000 0.972 301 Q CA 1.683 57.362 55.803 -0.207 0.000 0.847 301 Q CB -0.635 28.014 28.738 -0.148 0.000 0.903 301 Q HN 0.372 nan 8.270 nan 0.000 0.433 302 A N 0.436 123.180 122.820 -0.127 0.000 1.877 302 A HA -0.226 4.087 4.320 -0.011 0.000 0.216 302 A C 1.978 179.512 177.584 -0.084 0.000 1.186 302 A CA 1.829 53.817 52.037 -0.083 0.000 0.620 302 A CB -0.423 18.550 19.000 -0.045 0.000 0.822 302 A HN 0.383 nan 8.150 nan 0.000 0.443 303 K N -0.701 119.638 120.400 -0.101 0.000 2.057 303 K HA -0.141 4.172 4.320 -0.011 0.000 0.206 303 K C 2.155 178.610 176.600 -0.243 0.000 1.050 303 K CA 1.465 57.726 56.287 -0.043 0.000 0.935 303 K CB -0.125 32.429 32.500 0.089 0.000 0.715 303 K HN 0.687 nan 8.250 nan 0.000 0.439 304 E N 0.612 120.386 120.200 -0.710 0.000 2.106 304 E HA -0.139 4.205 4.350 -0.011 0.000 0.192 304 E C 1.777 178.170 176.600 -0.345 0.000 0.984 304 E CA 1.126 56.868 56.400 -1.097 0.000 0.806 304 E CB 0.164 29.038 29.700 -1.377 0.000 0.750 304 E HN 0.105 nan 8.360 nan 0.000 0.458 305 S N 0.395 115.966 115.700 -0.214 0.000 2.368 305 S HA -0.171 4.293 4.470 -0.011 0.000 0.225 305 S C 2.021 176.625 174.600 0.007 0.000 1.030 305 S CA 0.969 59.124 58.200 -0.075 0.000 0.999 305 S CB -0.268 62.890 63.200 -0.071 0.000 0.844 305 S HN 0.485 nan 8.310 nan 0.000 0.459 306 A N 0.388 123.225 122.820 0.029 0.000 1.908 306 A HA -0.182 4.131 4.320 -0.011 0.000 0.218 306 A C 1.848 179.526 177.584 0.158 0.000 1.181 306 A CA 1.601 53.690 52.037 0.086 0.000 0.627 306 A CB -1.078 17.984 19.000 0.103 0.000 0.818 306 A HN 0.724 nan 8.150 nan 0.000 0.445 307 W N 1.383 122.732 121.300 0.082 0.000 2.358 307 W HA -0.170 4.483 4.660 -0.011 0.000 0.303 307 W C 1.831 178.458 176.519 0.181 0.000 1.208 307 W CA 1.828 59.295 57.345 0.203 0.000 1.274 307 W CB -0.195 29.534 29.460 0.448 0.000 1.138 307 W HN 0.358 nan 8.180 nan 0.000 0.515 308 N N 0.633 119.460 118.700 0.210 0.000 2.149 308 N HA -0.205 4.528 4.740 -0.011 0.000 0.188 308 N C 1.452 176.946 175.510 -0.026 0.000 1.019 308 N CA 2.132 55.220 53.050 0.064 0.000 0.857 308 N CB -0.679 37.877 38.487 0.114 0.000 0.997 308 N HN 0.451 nan 8.380 nan 0.000 0.426 309 E N 0.659 120.852 120.200 -0.012 0.000 2.072 309 E HA -0.118 4.225 4.350 -0.011 0.000 0.191 309 E C 1.882 178.454 176.600 -0.046 0.000 0.985 309 E CA 0.726 57.117 56.400 -0.014 0.000 0.801 309 E CB 0.013 29.716 29.700 0.004 0.000 0.750 309 E HN 0.329 nan 8.360 nan 0.000 0.452 310 K N 0.474 120.818 120.400 -0.093 0.000 2.057 310 K HA -0.188 4.125 4.320 -0.011 0.000 0.207 310 K C 1.983 178.482 176.600 -0.169 0.000 1.049 310 K CA 1.147 57.365 56.287 -0.114 0.000 0.931 310 K CB -0.166 32.247 32.500 -0.144 0.000 0.714 310 K HN 0.062 nan 8.250 nan 0.000 0.440 311 F N 1.253 120.866 119.950 -0.561 0.000 2.186 311 F HA -0.100 4.420 4.527 -0.011 0.000 0.299 311 F C 2.028 177.733 175.800 -0.159 0.000 1.090 311 F CA 1.336 59.023 58.000 -0.523 0.000 1.307 311 F CB -0.386 38.057 39.000 -0.929 0.000 1.019 311 F HN 0.102 nan 8.300 nan 0.000 0.489 312 A N 0.302 123.064 122.820 -0.096 0.000 1.902 312 A HA -0.090 4.224 4.320 -0.011 0.000 0.217 312 A C 2.410 179.923 177.584 -0.119 0.000 1.181 312 A CA 1.818 53.799 52.037 -0.093 0.000 0.623 312 A CB -1.527 17.466 19.000 -0.011 0.000 0.818 312 A HN 0.469 nan 8.150 nan 0.000 0.443 313 A N -1.585 121.204 122.820 -0.052 0.000 1.898 313 A HA -0.085 4.228 4.320 -0.011 0.000 0.216 313 A C 2.129 179.704 177.584 -0.014 0.000 1.181 313 A CA 1.608 53.657 52.037 0.020 0.000 0.620 313 A CB -0.819 18.250 19.000 0.114 0.000 0.819 313 A HN 0.733 nan 8.150 nan 0.000 0.442 314 Y N 0.793 120.966 120.300 -0.212 0.000 2.128 314 Y HA -0.154 4.389 4.550 -0.011 0.000 0.284 314 Y C 2.598 178.259 175.900 -0.399 0.000 1.154 314 Y CA 1.423 59.271 58.100 -0.419 0.000 1.149 314 Y CB -0.514 37.700 38.460 -0.410 0.000 0.976 314 Y HN 0.300 nan 8.280 nan 0.000 0.505 315 A N 0.225 122.772 122.820 -0.456 0.000 1.972 315 A HA -0.185 4.128 4.320 -0.011 0.000 0.219 315 A C 2.190 179.590 177.584 -0.307 0.000 1.169 315 A CA 1.854 53.628 52.037 -0.438 0.000 0.635 315 A CB -0.529 18.229 19.000 -0.403 0.000 0.810 315 A HN 0.553 nan 8.150 nan 0.000 0.446 316 K N -0.476 119.774 120.400 -0.250 0.000 2.097 316 K HA 0.013 4.326 4.320 -0.011 0.000 0.205 316 K C 2.183 178.619 176.600 -0.273 0.000 1.050 316 K CA 1.097 57.264 56.287 -0.200 0.000 0.938 316 K CB -0.216 32.206 32.500 -0.129 0.000 0.718 316 K HN 0.435 nan 8.250 nan 0.000 0.442 317 A N 0.046 122.637 122.820 -0.382 0.000 2.021 317 A HA -0.022 4.292 4.320 -0.011 0.000 0.216 317 A C 0.280 177.315 177.584 -0.916 0.000 1.163 317 A CA 0.800 52.481 52.037 -0.593 0.000 0.676 317 A CB 0.055 18.689 19.000 -0.610 0.000 0.818 317 A HN 0.272 nan 8.150 nan 0.000 0.453 318 Y N -0.811 119.152 120.300 -0.562 0.000 2.490 318 Y HA 0.274 4.818 4.550 -0.011 0.000 0.346 318 Y C -1.980 173.653 175.900 -0.445 0.000 1.023 318 Y CA -2.102 55.665 58.100 -0.554 0.000 1.142 318 Y CB 0.957 38.890 38.460 -0.878 0.000 1.126 318 Y HN 0.179 nan 8.280 nan 0.000 0.647 319 P HA -0.188 nan 4.420 nan 0.000 0.216 319 P C 1.017 178.302 177.300 -0.026 0.000 1.153 319 P CA 1.626 64.655 63.100 -0.119 0.000 0.848 319 P CB 0.567 32.208 31.700 -0.099 0.000 0.787 320 Q N -0.118 119.682 119.800 -0.000 0.000 2.084 320 Q HA -0.179 4.154 4.340 -0.011 0.000 0.202 320 Q C 2.213 178.293 176.000 0.132 0.000 0.978 320 Q CA 1.492 57.330 55.803 0.057 0.000 0.844 320 Q CB -0.424 28.340 28.738 0.043 0.000 0.898 320 Q HN 0.294 nan 8.270 nan 0.000 0.426 321 E N 0.805 121.088 120.200 0.139 0.000 2.077 321 E HA -0.162 4.181 4.350 -0.011 0.000 0.193 321 E C 1.830 178.733 176.600 0.505 0.000 0.989 321 E CA 1.265 57.850 56.400 0.309 0.000 0.800 321 E CB -0.269 29.560 29.700 0.215 0.000 0.746 321 E HN 0.384 nan 8.360 nan 0.000 0.452 322 A N 1.000 123.989 122.820 0.281 0.000 1.933 322 A HA -0.074 4.240 4.320 -0.011 0.000 0.218 322 A C 2.363 180.215 177.584 0.448 0.000 1.175 322 A CA 1.772 54.029 52.037 0.367 0.000 0.628 322 A CB -0.820 18.126 19.000 -0.090 0.000 0.814 322 A HN 0.285 nan 8.150 nan 0.000 0.444 323 A N -0.565 122.420 122.820 0.276 0.000 1.902 323 A HA -0.140 4.173 4.320 -0.011 0.000 0.217 323 A C 1.972 179.703 177.584 0.244 0.000 1.181 323 A CA 1.663 53.840 52.037 0.234 0.000 0.623 323 A CB -0.400 18.685 19.000 0.142 0.000 0.818 323 A HN 0.440 nan 8.150 nan 0.000 0.443 324 E N -0.972 119.406 120.200 0.297 0.000 2.077 324 E HA -0.165 4.178 4.350 -0.011 0.000 0.193 324 E C 1.728 178.494 176.600 0.277 0.000 0.989 324 E CA 0.981 57.567 56.400 0.309 0.000 0.800 324 E CB -0.447 29.497 29.700 0.407 0.000 0.746 324 E HN 0.675 nan 8.360 nan 0.000 0.452 325 F N 1.845 121.863 119.950 0.113 0.000 2.095 325 F HA -0.230 4.290 4.527 -0.011 0.000 0.298 325 F C 2.402 178.133 175.800 -0.115 0.000 1.104 325 F CA 1.902 59.714 58.000 -0.314 0.000 1.232 325 F CB -0.439 38.393 39.000 -0.279 0.000 0.987 325 F HN -0.054 nan 8.300 nan 0.000 0.475 326 T N 0.638 115.303 114.554 0.184 0.000 2.708 326 T HA -0.218 4.125 4.350 -0.011 0.000 0.266 326 T C 2.100 176.766 174.700 -0.058 0.000 1.037 326 T CA 1.569 63.700 62.100 0.051 0.000 1.146 326 T CB -0.385 68.603 68.868 0.199 0.000 0.865 326 T HN 0.252 nan 8.240 nan 0.000 0.435 327 R N 0.936 121.434 120.500 -0.003 0.000 2.080 327 R HA -0.084 4.249 4.340 -0.011 0.000 0.236 327 R C 2.552 178.789 176.300 -0.104 0.000 1.137 327 R CA 1.513 57.594 56.100 -0.032 0.000 0.943 327 R CB -0.092 30.212 30.300 0.008 0.000 0.846 327 R HN 0.314 nan 8.270 nan 0.000 0.431 328 R N -0.552 119.858 120.500 -0.150 0.000 2.092 328 R HA -0.023 4.310 4.340 -0.011 0.000 0.231 328 R C 2.352 178.476 176.300 -0.293 0.000 1.119 328 R CA 1.338 57.312 56.100 -0.210 0.000 0.970 328 R CB -0.139 30.032 30.300 -0.214 0.000 0.864 328 R HN 0.238 nan 8.270 nan 0.000 0.440 329 M N 0.760 120.100 119.600 -0.434 0.000 2.213 329 M HA -0.123 4.351 4.480 -0.011 0.000 0.263 329 M C 1.601 177.758 176.300 -0.237 0.000 1.062 329 M CA 1.585 56.630 55.300 -0.424 0.000 1.105 329 M CB -0.432 31.794 32.600 -0.623 0.000 1.385 329 M HN 0.036 nan 8.290 nan 0.000 0.417 330 K N -0.594 119.699 120.400 -0.178 0.000 2.418 330 K HA 0.130 4.443 4.320 -0.011 0.000 0.195 330 K C 1.020 177.569 176.600 -0.085 0.000 1.035 330 K CA 0.626 56.849 56.287 -0.107 0.000 1.003 330 K CB 0.018 32.474 32.500 -0.073 0.000 0.793 330 K HN 0.532 nan 8.250 nan 0.000 0.494 331 G N 2.397 111.138 108.800 -0.098 0.000 2.160 331 G HA2 -0.277 3.676 3.960 -0.011 0.000 0.251 331 G HA3 -0.277 3.676 3.960 -0.011 0.000 0.251 331 G C -0.434 174.422 174.900 -0.074 0.000 1.008 331 G CA 0.140 45.195 45.100 -0.075 0.000 0.724 331 G HN 0.386 nan 8.290 nan 0.000 0.514 332 E N 0.004 120.158 120.200 -0.076 0.000 2.343 332 E HA 0.503 4.846 4.350 -0.011 0.000 0.269 332 E C 0.862 177.406 176.600 -0.094 0.000 1.047 332 E CA -0.504 55.855 56.400 -0.069 0.000 0.874 332 E CB 0.541 30.212 29.700 -0.047 0.000 1.033 332 E HN 0.167 nan 8.360 nan 0.000 0.409 333 M N 2.131 121.670 119.600 -0.101 0.000 2.288 333 M HA 0.305 4.779 4.480 -0.011 0.000 0.334 333 M C -2.167 174.085 176.300 -0.080 0.000 1.150 333 M CA -2.663 52.548 55.300 -0.148 0.000 1.118 333 M CB -0.318 32.178 32.600 -0.172 0.000 1.501 333 M HN 0.169 nan 8.290 nan 0.000 0.462 334 P HA 0.045 nan 4.420 nan 0.000 0.266 334 P C 0.578 177.898 177.300 0.034 0.000 1.195 334 P CA 0.103 63.199 63.100 -0.007 0.000 0.768 334 P CB 0.322 32.030 31.700 0.013 0.000 0.838 335 S N 1.099 116.814 115.700 0.025 0.000 2.399 335 S HA -0.183 4.280 4.470 -0.011 0.000 0.231 335 S C 1.136 175.752 174.600 0.028 0.000 1.022 335 S CA 1.438 59.652 58.200 0.023 0.000 0.983 335 S CB -0.730 62.479 63.200 0.015 0.000 0.803 335 S HN 0.590 nan 8.310 nan 0.000 0.480 336 D N -0.300 120.118 120.400 0.030 0.000 2.340 336 D HA 0.082 4.715 4.640 -0.011 0.000 0.217 336 D C 1.161 177.455 176.300 -0.010 0.000 1.081 336 D CA -0.480 53.523 54.000 0.006 0.000 0.842 336 D CB -0.720 40.077 40.800 -0.005 0.000 0.934 336 D HN 0.409 nan 8.370 nan 0.000 0.511 337 F N 1.945 121.831 119.950 -0.107 0.000 2.102 337 F HA -0.144 4.376 4.527 -0.011 0.000 0.298 337 F C 1.770 177.477 175.800 -0.155 0.000 1.105 337 F CA 1.768 59.668 58.000 -0.166 0.000 1.239 337 F CB -0.191 38.678 39.000 -0.218 0.000 0.991 337 F HN -0.067 nan 8.300 nan 0.000 0.474 338 D N 0.185 120.526 120.400 -0.097 0.000 2.106 338 D HA -0.241 4.392 4.640 -0.011 0.000 0.191 338 D C 2.211 178.391 176.300 -0.200 0.000 0.997 338 D CA 1.833 55.746 54.000 -0.144 0.000 0.834 338 D CB -0.444 40.346 40.800 -0.017 0.000 0.956 338 D HN 0.318 nan 8.370 nan 0.000 0.448 339 A N 0.220 122.958 122.820 -0.137 0.000 1.877 339 A HA -0.182 4.131 4.320 -0.011 0.000 0.216 339 A C 2.178 179.678 177.584 -0.141 0.000 1.186 339 A CA 1.626 53.599 52.037 -0.107 0.000 0.620 339 A CB -0.492 18.470 19.000 -0.064 0.000 0.822 339 A HN 0.222 nan 8.150 nan 0.000 0.443 340 K N -0.461 119.815 120.400 -0.207 0.000 2.057 340 K HA -0.036 4.277 4.320 -0.011 0.000 0.206 340 K C 2.319 178.783 176.600 -0.227 0.000 1.050 340 K CA 1.053 57.221 56.287 -0.198 0.000 0.935 340 K CB -0.294 32.082 32.500 -0.208 0.000 0.715 340 K HN 0.443 nan 8.250 nan 0.000 0.439 341 A N 1.879 124.406 122.820 -0.489 0.000 1.898 341 A HA -0.170 4.143 4.320 -0.011 0.000 0.216 341 A C 1.906 179.469 177.584 -0.035 0.000 1.181 341 A CA 1.399 53.228 52.037 -0.347 0.000 0.620 341 A CB -0.247 18.244 19.000 -0.849 0.000 0.819 341 A HN 0.177 nan 8.150 nan 0.000 0.442 342 K N -0.528 119.814 120.400 -0.097 0.000 2.097 342 K HA -0.190 4.123 4.320 -0.011 0.000 0.206 342 K C 2.104 178.701 176.600 -0.005 0.000 1.049 342 K CA 1.507 57.775 56.287 -0.032 0.000 0.933 342 K CB -0.128 32.344 32.500 -0.046 0.000 0.717 342 K HN 0.719 nan 8.250 nan 0.000 0.442 343 E N 0.345 120.544 120.200 -0.001 0.000 2.077 343 E HA -0.223 4.121 4.350 -0.011 0.000 0.193 343 E C 1.849 178.493 176.600 0.073 0.000 0.989 343 E CA 1.019 57.432 56.400 0.022 0.000 0.800 343 E CB -0.100 29.609 29.700 0.015 0.000 0.746 343 E HN 0.244 nan 8.360 nan 0.000 0.452 344 F N 1.266 121.194 119.950 -0.036 0.000 2.102 344 F HA -0.125 4.395 4.527 -0.012 0.000 0.298 344 F C 1.925 177.720 175.800 -0.008 0.000 1.105 344 F CA 1.408 59.401 58.000 -0.012 0.000 1.239 344 F CB -0.317 38.697 39.000 0.022 0.000 0.991 344 F HN -0.002 nan 8.300 nan 0.000 0.474 345 I N 0.480 120.977 120.570 -0.122 0.000 2.163 345 I HA -0.346 3.817 4.170 -0.011 0.000 0.243 345 I C 2.705 178.712 176.117 -0.183 0.000 1.085 345 I CA 1.429 62.607 61.300 -0.203 0.000 1.347 345 I CB -0.980 36.997 38.000 -0.040 0.000 1.044 345 I HN 0.255 nan 8.210 nan 0.000 0.408 346 A N 0.413 123.171 122.820 -0.104 0.000 1.933 346 A HA -0.271 4.042 4.320 -0.011 0.000 0.218 346 A C 2.374 179.900 177.584 -0.097 0.000 1.175 346 A CA 1.974 53.963 52.037 -0.080 0.000 0.628 346 A CB -0.540 18.433 19.000 -0.044 0.000 0.814 346 A HN 0.372 nan 8.150 nan 0.000 0.444 347 K N -0.253 120.078 120.400 -0.114 0.000 2.057 347 K HA -0.067 4.247 4.320 -0.011 0.000 0.207 347 K C 1.858 178.364 176.600 -0.155 0.000 1.049 347 K CA 1.349 57.573 56.287 -0.105 0.000 0.931 347 K CB -0.313 32.149 32.500 -0.063 0.000 0.714 347 K HN 0.495 nan 8.250 nan 0.000 0.440 348 L N 0.546 121.602 121.223 -0.278 0.000 2.046 348 L HA -0.200 4.133 4.340 -0.011 0.000 0.208 348 L C 2.731 179.511 176.870 -0.149 0.000 1.077 348 L CA 1.246 55.930 54.840 -0.260 0.000 0.747 348 L CB -0.504 41.317 42.059 -0.398 0.000 0.896 348 L HN 0.296 nan 8.230 nan 0.000 0.432 349 Q N 0.430 120.152 119.800 -0.130 0.000 2.124 349 Q HA -0.144 4.190 4.340 -0.011 0.000 0.202 349 Q C 2.084 178.049 176.000 -0.058 0.000 0.977 349 Q CA 1.915 57.671 55.803 -0.079 0.000 0.850 349 Q CB -0.186 28.511 28.738 -0.067 0.000 0.901 349 Q HN 0.442 nan 8.270 nan 0.000 0.429 350 A N -0.268 122.515 122.820 -0.060 0.000 2.119 350 A HA 0.026 4.339 4.320 -0.011 0.000 0.216 350 A C 0.378 177.940 177.584 -0.037 0.000 1.152 350 A CA 0.577 52.589 52.037 -0.041 0.000 0.708 350 A CB 0.047 19.025 19.000 -0.035 0.000 0.805 350 A HN 0.344 nan 8.150 nan 0.000 0.460 351 N N 0.996 119.668 118.700 -0.048 0.000 2.841 351 N HA 0.264 4.998 4.740 -0.011 0.000 0.257 351 N C -3.209 172.277 175.510 -0.040 0.000 1.396 351 N CA -0.950 52.078 53.050 -0.038 0.000 0.823 351 N CB 1.083 39.548 38.487 -0.036 0.000 1.162 351 N HN 0.091 nan 8.380 nan 0.000 0.503 352 P HA 0.180 nan 4.420 nan 0.000 0.268 352 P C -0.906 176.380 177.300 -0.023 0.000 1.205 352 P CA -0.080 63.003 63.100 -0.030 0.000 0.771 352 P CB 0.862 32.549 31.700 -0.022 0.000 0.858 353 A N 2.234 125.040 122.820 -0.023 0.000 2.488 353 A HA 0.502 4.815 4.320 -0.011 0.000 0.298 353 A C -0.802 176.775 177.584 -0.013 0.000 1.044 353 A CA -0.752 51.276 52.037 -0.015 0.000 0.693 353 A CB 1.182 20.175 19.000 -0.013 0.000 1.272 353 A HN 0.440 nan 8.150 nan 0.000 0.402 354 K N 3.243 123.638 120.400 -0.009 0.000 2.257 354 K HA 0.591 4.904 4.320 -0.011 0.000 0.270 354 K C -0.638 175.960 176.600 -0.003 0.000 1.098 354 K CA -0.181 56.101 56.287 -0.009 0.000 0.943 354 K CB -0.171 32.322 32.500 -0.012 0.000 1.316 354 K HN 0.715 nan 8.250 nan 0.000 0.447 355 I N -0.229 120.341 120.570 0.000 0.000 3.074 355 I HA 0.639 4.802 4.170 -0.011 0.000 0.310 355 I C -0.568 175.555 176.117 0.010 0.000 1.153 355 I CA -1.482 59.823 61.300 0.008 0.000 0.993 355 I CB 1.916 39.925 38.000 0.015 0.000 1.237 355 I HN 0.398 nan 8.210 nan 0.000 0.443 356 A N 1.967 124.796 122.820 0.015 0.000 2.445 356 A HA 0.363 4.677 4.320 -0.011 0.000 0.242 356 A C 1.256 178.860 177.584 0.033 0.000 1.075 356 A CA 0.227 52.273 52.037 0.015 0.000 0.777 356 A CB 0.266 19.270 19.000 0.008 0.000 1.013 356 A HN 1.017 nan 8.150 nan 0.000 0.493 357 S N 1.724 117.447 115.700 0.039 0.000 2.447 357 S HA -0.223 4.241 4.470 -0.011 0.000 0.233 357 S C 1.715 176.371 174.600 0.093 0.000 1.006 357 S CA 1.046 59.285 58.200 0.066 0.000 0.957 357 S CB -0.471 62.772 63.200 0.072 0.000 0.773 357 S HN 0.891 nan 8.310 nan 0.000 0.507 358 R N 1.576 122.131 120.500 0.091 0.000 2.096 358 R HA 0.014 4.348 4.340 -0.011 0.000 0.235 358 R C 2.136 178.503 176.300 0.111 0.000 1.127 358 R CA 1.554 57.731 56.100 0.127 0.000 0.968 358 R CB -0.429 29.963 30.300 0.153 0.000 0.861 358 R HN 0.375 nan 8.270 nan 0.000 0.440 359 K N 1.117 121.565 120.400 0.081 0.000 2.103 359 K HA 0.078 4.391 4.320 -0.011 0.000 0.204 359 K C 2.109 178.741 176.600 0.053 0.000 1.052 359 K CA 1.395 57.721 56.287 0.064 0.000 0.945 359 K CB -0.304 32.226 32.500 0.051 0.000 0.722 359 K HN 0.281 nan 8.250 nan 0.000 0.443 360 A N -0.047 122.809 122.820 0.059 0.000 1.972 360 A HA -0.166 4.147 4.320 -0.011 0.000 0.219 360 A C 2.268 179.888 177.584 0.060 0.000 1.169 360 A CA 2.135 54.207 52.037 0.058 0.000 0.635 360 A CB -1.045 17.991 19.000 0.061 0.000 0.810 360 A HN 0.432 nan 8.150 nan 0.000 0.446 361 S N -0.879 114.886 115.700 0.109 0.000 2.348 361 S HA -0.267 4.196 4.470 -0.011 0.000 0.221 361 S C 2.231 176.777 174.600 -0.090 0.000 1.033 361 S CA 1.759 60.058 58.200 0.165 0.000 1.010 361 S CB -0.406 62.981 63.200 0.312 0.000 0.891 361 S HN 0.688 nan 8.310 nan 0.000 0.442 362 Q N 0.433 120.216 119.800 -0.029 0.000 2.112 362 Q HA -0.181 4.152 4.340 -0.011 0.000 0.206 362 Q C 1.722 177.629 176.000 -0.156 0.000 0.987 362 Q CA 1.911 57.667 55.803 -0.077 0.000 0.858 362 Q CB -0.252 28.498 28.738 0.020 0.000 0.905 362 Q HN 0.536 nan 8.270 nan 0.000 0.420 363 N N 0.177 118.819 118.700 -0.098 0.000 2.188 363 N HA -0.123 4.610 4.740 -0.011 0.000 0.184 363 N C 1.480 176.830 175.510 -0.267 0.000 1.018 363 N CA 1.289 54.293 53.050 -0.076 0.000 0.858 363 N CB -0.425 38.106 38.487 0.073 0.000 0.989 363 N HN 0.352 nan 8.380 nan 0.000 0.426 364 A N 1.103 123.670 122.820 -0.421 0.000 1.898 364 A HA -0.018 4.296 4.320 -0.011 0.000 0.216 364 A C 2.286 179.058 177.584 -1.354 0.000 1.181 364 A CA 0.739 52.203 52.037 -0.954 0.000 0.620 364 A CB -0.588 17.838 19.000 -0.957 0.000 0.819 364 A HN 0.198 nan 8.150 nan 0.000 0.442 365 I N -0.567 119.299 120.570 -1.174 0.000 2.163 365 I HA -0.266 3.898 4.170 -0.011 0.000 0.243 365 I C 2.537 178.206 176.117 -0.747 0.000 1.085 365 I CA 1.862 62.548 61.300 -1.024 0.000 1.347 365 I CB -0.353 37.135 38.000 -0.854 0.000 1.044 365 I HN 0.401 nan 8.210 nan 0.000 0.408 366 E N 1.474 121.392 120.200 -0.470 0.000 2.085 366 E HA -0.226 4.117 4.350 -0.011 0.000 0.194 366 E C 2.120 178.492 176.600 -0.381 0.000 0.994 366 E CA 1.826 58.080 56.400 -0.243 0.000 0.801 366 E CB -0.178 29.493 29.700 -0.047 0.000 0.743 366 E HN 0.433 nan 8.360 nan 0.000 0.453 367 A N -0.346 122.126 122.820 -0.580 0.000 1.930 367 A HA -0.094 4.219 4.320 -0.011 0.000 0.217 367 A C 1.882 179.304 177.584 -0.270 0.000 1.175 367 A CA 1.320 52.977 52.037 -0.633 0.000 0.627 367 A CB -0.623 17.442 19.000 -1.559 0.000 0.815 367 A HN 0.351 nan 8.150 nan 0.000 0.443 368 F N 0.119 119.770 119.950 -0.497 0.000 2.473 368 F HA 0.141 4.661 4.527 -0.011 0.000 0.294 368 F C 2.529 178.079 175.800 -0.417 0.000 1.103 368 F CA -0.131 57.695 58.000 -0.291 0.000 1.442 368 F CB -1.524 37.398 39.000 -0.130 0.000 1.097 368 F HN 0.257 nan 8.300 nan 0.000 0.547 369 G N 1.953 110.439 108.800 -0.525 0.000 2.529 369 G HA2 -0.259 3.694 3.960 -0.011 0.000 0.219 369 G HA3 -0.259 3.694 3.960 -0.011 0.000 0.219 369 G C -0.582 174.028 174.900 -0.483 0.000 1.177 369 G CA 0.844 45.300 45.100 -1.072 0.000 0.773 369 G HN 0.226 nan 8.290 nan 0.000 0.573 370 P HA 0.024 nan 4.420 nan 0.000 0.222 370 P C 1.730 179.024 177.300 -0.010 0.000 1.147 370 P CA 0.718 63.837 63.100 0.031 0.000 0.790 370 P CB -0.057 31.679 31.700 0.061 0.000 0.780 371 L N -2.362 118.819 121.223 -0.070 0.000 2.416 371 L HA 0.108 4.441 4.340 -0.011 0.000 0.216 371 L C 0.993 177.781 176.870 -0.137 0.000 1.098 371 L CA 0.449 55.265 54.840 -0.039 0.000 0.840 371 L CB -0.218 41.881 42.059 0.067 0.000 0.981 371 L HN -0.097 nan 8.230 nan 0.000 0.462 372 L N 1.911 122.959 121.223 -0.291 0.000 2.502 372 L HA 0.262 4.595 4.340 -0.011 0.000 0.247 372 L C -1.567 175.134 176.870 -0.283 0.000 1.180 372 L CA -1.129 53.433 54.840 -0.463 0.000 0.956 372 L CB 1.019 42.475 42.059 -1.005 0.000 1.282 372 L HN -0.163 nan 8.230 nan 0.000 0.470 373 P HA -0.181 nan 4.420 nan 0.000 0.228 373 P C 0.967 178.344 177.300 0.129 0.000 1.151 373 P CA 0.976 64.124 63.100 0.080 0.000 0.770 373 P CB 0.220 31.965 31.700 0.074 0.000 0.786 374 E N -0.934 119.291 120.200 0.042 0.000 2.418 374 E HA -0.105 4.238 4.350 -0.011 0.000 0.197 374 E C 0.307 177.123 176.600 0.359 0.000 1.026 374 E CA 0.008 56.478 56.400 0.117 0.000 0.862 374 E CB -0.722 28.973 29.700 -0.008 0.000 0.799 374 E HN 0.118 nan 8.360 nan 0.000 0.518 375 F N 1.664 121.761 119.950 0.246 0.000 2.623 375 F HA 0.063 4.584 4.527 -0.011 0.000 0.383 375 F C 0.548 176.503 175.800 0.259 0.000 1.077 375 F CA -0.384 57.787 58.000 0.285 0.000 1.268 375 F CB 0.329 39.531 39.000 0.336 0.000 1.053 375 F HN -0.005 nan 8.300 nan 0.000 0.571 376 L N 4.626 126.041 121.223 0.320 0.000 2.454 376 L HA 0.628 4.962 4.340 -0.011 0.000 0.258 376 L C -0.213 176.467 176.870 -0.315 0.000 1.025 376 L CA -0.057 54.774 54.840 -0.016 0.000 0.901 376 L CB 0.877 42.813 42.059 -0.204 0.000 1.210 376 L HN 0.535 nan 8.230 nan 0.000 0.457 377 G N 1.380 109.792 108.800 -0.646 0.000 2.552 377 G HA2 0.854 4.807 3.960 -0.011 0.000 0.324 377 G HA3 0.854 4.807 3.960 -0.011 0.000 0.324 377 G C -0.600 173.648 174.900 -1.086 0.000 1.217 377 G CA -0.288 43.921 45.100 -1.485 0.000 0.989 377 G HN 0.953 nan 8.290 nan 0.000 0.490 378 G N -1.777 106.525 108.800 -0.831 0.000 2.441 378 G HA2 0.576 4.529 3.960 -0.011 0.000 0.294 378 G HA3 0.576 4.529 3.960 -0.011 0.000 0.294 378 G C -1.428 173.432 174.900 -0.068 0.000 1.393 378 G CA 0.417 45.076 45.100 -0.735 0.000 0.796 378 G HN 1.324 nan 8.290 nan 0.000 0.494 379 S N -1.520 114.225 115.700 0.075 0.000 2.564 379 S HA 0.688 5.151 4.470 -0.011 0.000 0.274 379 S C 0.020 174.722 174.600 0.170 0.000 1.124 379 S CA 0.404 58.701 58.200 0.162 0.000 0.869 379 S CB 1.553 64.880 63.200 0.212 0.000 1.105 379 S HN 2.036 nan 8.310 nan 0.000 0.472 380 A N 3.098 125.960 122.820 0.069 0.000 3.037 380 A HA 0.445 4.758 4.320 -0.011 0.000 0.272 380 A C 0.512 178.090 177.584 -0.010 0.000 1.723 380 A CA 0.416 52.472 52.037 0.031 0.000 1.413 380 A CB -1.516 17.453 19.000 -0.051 0.000 1.112 380 A HN 1.185 nan 8.150 nan 0.000 0.606 381 D N -0.415 120.022 120.400 0.061 0.000 2.870 381 D HA -0.167 4.466 4.640 -0.011 0.000 0.228 381 D C -0.038 176.257 176.300 -0.008 0.000 1.147 381 D CA 1.402 55.425 54.000 0.039 0.000 0.757 381 D CB -1.452 39.339 40.800 -0.014 0.000 1.091 381 D HN 0.511 nan 8.370 nan 0.000 0.429 382 L N -1.288 119.941 121.223 0.009 0.000 3.431 382 L HA 0.528 4.861 4.340 -0.011 0.000 0.316 382 L C 2.037 178.958 176.870 0.085 0.000 1.305 382 L CA 0.176 54.995 54.840 -0.035 0.000 0.995 382 L CB 0.075 41.982 42.059 -0.254 0.000 1.411 382 L HN 0.148 nan 8.230 nan 0.000 0.610 383 A N 1.692 124.605 122.820 0.155 0.000 1.903 383 A HA -0.114 4.200 4.320 -0.011 0.000 0.219 383 A C -0.333 177.335 177.584 0.141 0.000 1.191 383 A CA 1.981 54.130 52.037 0.186 0.000 0.638 383 A CB -1.427 17.687 19.000 0.189 0.000 0.823 383 A HN 0.334 nan 8.150 nan 0.000 0.451 384 P HA 0.085 nan 4.420 nan 0.000 0.245 384 P C 0.867 178.259 177.300 0.154 0.000 1.212 384 P CA 1.202 64.370 63.100 0.113 0.000 0.774 384 P CB 0.507 32.262 31.700 0.090 0.000 0.999 385 S N -0.396 115.416 115.700 0.187 0.000 2.566 385 S HA 0.093 4.556 4.470 -0.011 0.000 0.234 385 S C 1.660 176.479 174.600 0.365 0.000 1.075 385 S CA 0.204 58.583 58.200 0.298 0.000 0.926 385 S CB -0.469 62.925 63.200 0.323 0.000 0.811 385 S HN 0.235 nan 8.310 nan 0.000 0.518 386 N N 1.369 120.233 118.700 0.272 0.000 2.331 386 N HA 0.195 4.928 4.740 -0.011 0.000 0.180 386 N C -0.422 175.233 175.510 0.241 0.000 1.019 386 N CA 0.396 53.615 53.050 0.282 0.000 0.881 386 N CB -0.075 38.546 38.487 0.223 0.000 0.972 386 N HN 0.143 nan 8.380 nan 0.000 0.435 387 L N 0.494 121.840 121.223 0.206 0.000 3.472 387 L HA -0.182 4.151 4.340 -0.011 0.000 0.485 387 L C 0.548 177.519 176.870 0.169 0.000 1.312 387 L CA 0.080 55.018 54.840 0.163 0.000 0.869 387 L CB -2.341 39.802 42.059 0.140 0.000 1.687 387 L HN 0.361 nan 8.230 nan 0.000 0.853 388 T N -4.013 110.681 114.554 0.232 0.000 3.060 388 T HA 0.356 4.700 4.350 -0.011 0.000 0.249 388 T C 0.660 175.594 174.700 0.389 0.000 1.079 388 T CA -0.137 62.180 62.100 0.362 0.000 1.013 388 T CB 0.263 69.465 68.868 0.556 0.000 0.975 388 T HN 0.310 nan 8.240 nan 0.000 0.518 389 L N 3.157 124.471 121.223 0.152 0.000 2.326 389 L HA 0.509 4.843 4.340 -0.011 0.000 0.278 389 L C 0.255 177.212 176.870 0.146 0.000 1.092 389 L CA -1.232 53.608 54.840 -0.000 0.000 0.810 389 L CB 0.664 42.598 42.059 -0.207 0.000 1.153 389 L HN 0.441 nan 8.230 nan 0.000 0.439 390 W N 1.155 122.430 121.300 -0.042 0.000 2.869 390 W HA 0.395 5.048 4.660 -0.012 0.000 0.345 390 W C 0.940 177.438 176.519 -0.034 0.000 1.191 390 W CA -0.571 56.751 57.345 -0.039 0.000 1.104 390 W CB 0.584 30.024 29.460 -0.032 0.000 1.471 390 W HN 0.630 nan 8.180 nan 0.000 0.612 391 S N -0.030 115.647 115.700 -0.038 0.000 2.419 391 S HA -0.078 4.385 4.470 -0.011 0.000 0.233 391 S C 1.606 175.830 174.600 -0.626 0.000 1.016 391 S CA 1.507 59.566 58.200 -0.234 0.000 0.974 391 S CB -0.987 62.191 63.200 -0.036 0.000 0.786 391 S HN 0.804 nan 8.310 nan 0.000 0.492 392 G N 0.606 108.482 108.800 -1.541 0.000 3.189 392 G HA2 0.321 4.274 3.960 -0.011 0.000 0.225 392 G HA3 0.321 4.274 3.960 -0.011 0.000 0.225 392 G C 0.071 174.176 174.900 -1.325 0.000 1.159 392 G CA -0.397 43.715 45.100 -1.647 0.000 0.763 392 G HN 0.452 nan 8.290 nan 0.000 0.549 393 S N 0.561 115.521 115.700 -1.233 0.000 2.533 393 S HA 0.317 4.780 4.470 -0.011 0.000 0.282 393 S C 0.016 174.426 174.600 -0.317 0.000 1.304 393 S CA 0.356 58.228 58.200 -0.547 0.000 1.063 393 S CB 0.901 63.830 63.200 -0.452 0.000 0.881 393 S HN 0.335 nan 8.310 nan 0.000 0.493 394 K N 1.932 122.257 120.400 -0.126 0.000 2.578 394 K HA 0.482 4.796 4.320 -0.011 0.000 0.250 394 K C -0.685 175.921 176.600 0.010 0.000 0.955 394 K CA -0.417 55.826 56.287 -0.073 0.000 0.825 394 K CB 1.837 34.304 32.500 -0.055 0.000 1.151 394 K HN 0.625 nan 8.250 nan 0.000 0.432 395 A N 3.216 126.048 122.820 0.020 0.000 2.450 395 A HA 0.170 4.483 4.320 -0.011 0.000 0.255 395 A C 1.207 178.810 177.584 0.032 0.000 1.096 395 A CA -0.362 51.727 52.037 0.086 0.000 0.778 395 A CB -0.454 18.663 19.000 0.194 0.000 1.031 395 A HN 1.006 nan 8.150 nan 0.000 0.494 396 I N 1.109 121.670 120.570 -0.015 0.000 2.830 396 I HA -0.147 4.016 4.170 -0.011 0.000 0.263 396 I C 1.644 177.732 176.117 -0.049 0.000 1.230 396 I CA 1.460 62.727 61.300 -0.055 0.000 1.480 396 I CB -0.423 37.506 38.000 -0.118 0.000 1.095 396 I HN 0.741 nan 8.210 nan 0.000 0.455 397 N N 1.661 120.347 118.700 -0.022 0.000 2.459 397 N HA -0.187 4.546 4.740 -0.011 0.000 0.181 397 N C 1.274 176.774 175.510 -0.018 0.000 1.046 397 N CA 1.191 54.226 53.050 -0.024 0.000 0.904 397 N CB -0.204 38.278 38.487 -0.008 0.000 0.964 397 N HN 0.641 nan 8.380 nan 0.000 0.444 398 E N -0.382 119.815 120.200 -0.004 0.000 2.244 398 E HA 0.037 4.381 4.350 -0.011 0.000 0.196 398 E C -0.487 176.101 176.600 -0.020 0.000 0.939 398 E CA 0.293 56.686 56.400 -0.012 0.000 0.884 398 E CB 0.388 30.086 29.700 -0.004 0.000 0.850 398 E HN 0.179 nan 8.360 nan 0.000 0.481 399 D N -0.686 119.702 120.400 -0.019 0.000 2.479 399 D HA 0.255 4.889 4.640 -0.011 0.000 0.246 399 D C 0.092 176.378 176.300 -0.024 0.000 1.336 399 D CA -0.311 53.676 54.000 -0.022 0.000 0.967 399 D CB 1.478 42.266 40.800 -0.021 0.000 1.275 399 D HN 0.005 nan 8.370 nan 0.000 0.577 400 A N 3.135 125.938 122.820 -0.029 0.000 2.076 400 A HA 0.065 4.378 4.320 -0.011 0.000 0.220 400 A C 1.751 179.327 177.584 -0.013 0.000 1.160 400 A CA 1.636 53.653 52.037 -0.034 0.000 0.653 400 A CB -0.184 18.792 19.000 -0.040 0.000 0.801 400 A HN 0.590 nan 8.150 nan 0.000 0.455 401 A N -0.416 122.404 122.820 -0.001 0.000 2.302 401 A HA 0.495 4.809 4.320 -0.011 0.000 0.219 401 A C 1.309 178.917 177.584 0.039 0.000 1.243 401 A CA 0.569 52.619 52.037 0.021 0.000 0.856 401 A CB -0.884 18.116 19.000 -0.001 0.000 0.893 401 A HN 0.622 nan 8.150 nan 0.000 0.491 402 G N 0.309 109.124 108.800 0.025 0.000 2.525 402 G HA2 0.308 4.261 3.960 -0.011 0.000 0.276 402 G HA3 0.308 4.261 3.960 -0.011 0.000 0.276 402 G C 0.318 175.266 174.900 0.080 0.000 1.388 402 G CA 0.275 45.398 45.100 0.039 0.000 1.050 402 G HN 0.579 nan 8.290 nan 0.000 0.520 403 N N -3.083 115.677 118.700 0.101 0.000 2.142 403 N HA 0.120 4.853 4.740 -0.011 0.000 0.233 403 N C -0.955 174.624 175.510 0.115 0.000 1.335 403 N CA -0.489 52.661 53.050 0.167 0.000 0.837 403 N CB 0.130 38.810 38.487 0.322 0.000 1.238 403 N HN 0.455 nan 8.380 nan 0.000 0.501 404 Y N 0.620 120.855 120.300 -0.109 0.000 2.457 404 Y HA 0.648 5.191 4.550 -0.011 0.000 0.343 404 Y C -1.520 174.197 175.900 -0.305 0.000 0.994 404 Y CA -1.116 56.860 58.100 -0.207 0.000 1.031 404 Y CB 1.597 39.944 38.460 -0.188 0.000 1.246 404 Y HN -0.037 nan 8.280 nan 0.000 0.449 405 I N 5.726 125.725 120.570 -0.951 0.000 2.418 405 I HA 0.245 4.408 4.170 -0.011 0.000 0.287 405 I C -0.776 174.853 176.117 -0.813 0.000 1.008 405 I CA -0.863 59.947 61.300 -0.817 0.000 1.104 405 I CB 1.241 38.555 38.000 -1.143 0.000 1.264 405 I HN 0.569 nan 8.210 nan 0.000 0.438 406 H N 6.890 125.808 119.070 -0.253 0.000 3.089 406 H HA 0.073 4.622 4.556 -0.012 0.000 0.262 406 H C -0.083 175.143 175.328 -0.171 0.000 1.160 406 H CA 0.329 56.331 56.048 -0.076 0.000 1.482 406 H CB 0.450 30.225 29.762 0.021 0.000 1.511 406 H HN 0.568 nan 8.280 nan 0.000 0.483 407 Y N 1.880 122.168 120.300 -0.020 0.000 2.561 407 Y HA 0.017 4.560 4.550 -0.011 0.000 0.291 407 Y C 1.925 177.801 175.900 -0.040 0.000 1.141 407 Y CA 0.860 58.924 58.100 -0.060 0.000 1.303 407 Y CB 0.323 38.729 38.460 -0.091 0.000 1.015 407 Y HN 0.962 nan 8.280 nan 0.000 0.547 408 G N -0.114 108.763 108.800 0.128 0.000 2.750 408 G HA2 -0.261 3.693 3.960 -0.011 0.000 0.228 408 G HA3 -0.261 3.693 3.960 -0.011 0.000 0.228 408 G C -0.528 174.385 174.900 0.022 0.000 1.367 408 G CA -0.441 44.690 45.100 0.051 0.000 0.871 408 G HN 0.025 nan 8.290 nan 0.000 0.560 409 V N 1.417 121.317 119.914 -0.023 0.000 2.055 409 V HA 0.435 4.548 4.120 -0.011 0.000 0.248 409 V C 0.993 177.054 176.094 -0.054 0.000 1.476 409 V CA 0.864 63.120 62.300 -0.074 0.000 1.417 409 V CB -0.711 31.051 31.823 -0.101 0.000 1.465 409 V HN 0.564 nan 8.190 nan 0.000 0.502 410 R N 1.787 122.267 120.500 -0.034 0.000 2.684 410 R HA 0.257 4.590 4.340 -0.011 0.000 0.252 410 R C 0.269 176.571 176.300 0.003 0.000 1.628 410 R CA -0.329 55.772 56.100 0.002 0.000 1.622 410 R CB 0.860 31.158 30.300 -0.003 0.000 1.418 410 R HN 0.419 nan 8.270 nan 0.000 0.697 411 E N 0.503 120.716 120.200 0.022 0.000 2.077 411 E HA -0.167 4.177 4.350 -0.011 0.000 0.193 411 E C 1.151 177.836 176.600 0.141 0.000 0.989 411 E CA 1.219 57.643 56.400 0.041 0.000 0.800 411 E CB -0.033 29.695 29.700 0.047 0.000 0.746 411 E HN 0.286 nan 8.360 nan 0.000 0.452 412 F N 1.000 120.964 119.950 0.023 0.000 2.084 412 F HA 0.044 4.565 4.527 -0.011 0.000 0.296 412 F C 2.210 177.995 175.800 -0.025 0.000 1.111 412 F CA 1.567 59.578 58.000 0.017 0.000 1.224 412 F CB -0.988 38.037 39.000 0.042 0.000 0.991 412 F HN 0.058 nan 8.300 nan 0.000 0.471 413 G N 0.602 109.409 108.800 0.012 0.000 2.440 413 G HA2 -0.337 3.616 3.960 -0.011 0.000 0.218 413 G HA3 -0.337 3.616 3.960 -0.011 0.000 0.218 413 G C 1.814 176.650 174.900 -0.107 0.000 1.154 413 G CA 0.960 45.989 45.100 -0.119 0.000 0.767 413 G HN 0.460 nan 8.290 nan 0.000 0.552 414 M N 0.661 120.156 119.600 -0.174 0.000 2.082 414 M HA -0.131 4.342 4.480 -0.011 0.000 0.258 414 M C 2.483 178.545 176.300 -0.397 0.000 1.069 414 M CA 2.362 57.320 55.300 -0.570 0.000 1.102 414 M CB -0.469 31.615 32.600 -0.860 0.000 1.336 414 M HN 0.199 nan 8.290 nan 0.000 0.404 415 T N 0.787 115.245 114.554 -0.159 0.000 2.777 415 T HA 0.029 4.372 4.350 -0.011 0.000 0.266 415 T C 1.835 176.530 174.700 -0.008 0.000 1.040 415 T CA 1.429 63.503 62.100 -0.043 0.000 1.141 415 T CB -0.463 68.461 68.868 0.094 0.000 0.868 415 T HN 0.607 nan 8.240 nan 0.000 0.444 416 A N 0.863 123.676 122.820 -0.012 0.000 1.968 416 A HA 0.120 4.433 4.320 -0.011 0.000 0.217 416 A C 2.253 179.817 177.584 -0.033 0.000 1.169 416 A CA 0.724 52.741 52.037 -0.032 0.000 0.638 416 A CB -0.688 18.235 19.000 -0.128 0.000 0.812 416 A HN 0.488 nan 8.150 nan 0.000 0.446 417 I N -0.156 120.390 120.570 -0.039 0.000 2.179 417 I HA -0.304 3.859 4.170 -0.011 0.000 0.242 417 I C 2.945 179.072 176.117 0.017 0.000 1.088 417 I CA 1.154 62.458 61.300 0.007 0.000 1.357 417 I CB -0.245 37.806 38.000 0.086 0.000 1.051 417 I HN 0.361 nan 8.210 nan 0.000 0.409 418 A N 0.726 123.546 122.820 -0.001 0.000 1.972 418 A HA -0.206 4.107 4.320 -0.011 0.000 0.219 418 A C 1.998 179.601 177.584 0.031 0.000 1.169 418 A CA 1.755 53.799 52.037 0.013 0.000 0.635 418 A CB -0.633 18.355 19.000 -0.021 0.000 0.810 418 A HN 0.417 nan 8.150 nan 0.000 0.446 419 N N 0.433 119.150 118.700 0.029 0.000 2.104 419 N HA -0.128 4.606 4.740 -0.011 0.000 0.190 419 N C 1.823 177.364 175.510 0.052 0.000 1.024 419 N CA 1.571 54.648 53.050 0.044 0.000 0.853 419 N CB -0.877 37.635 38.487 0.042 0.000 1.008 419 N HN 0.474 nan 8.380 nan 0.000 0.424 420 G N 1.045 109.869 108.800 0.040 0.000 2.422 420 G HA2 -0.155 3.799 3.960 -0.011 0.000 0.218 420 G HA3 -0.155 3.799 3.960 -0.011 0.000 0.218 420 G C 1.675 176.624 174.900 0.082 0.000 1.146 420 G CA 0.367 45.499 45.100 0.054 0.000 0.769 420 G HN 0.271 nan 8.290 nan 0.000 0.547 421 I N 1.734 122.336 120.570 0.052 0.000 2.179 421 I HA -0.218 3.945 4.170 -0.011 0.000 0.242 421 I C 3.216 179.429 176.117 0.161 0.000 1.088 421 I CA 1.608 62.943 61.300 0.058 0.000 1.357 421 I CB -0.232 37.746 38.000 -0.036 0.000 1.051 421 I HN 0.347 nan 8.210 nan 0.000 0.409 422 S N 1.171 116.948 115.700 0.127 0.000 2.383 422 S HA -0.122 4.342 4.470 -0.011 0.000 0.227 422 S C 1.998 176.670 174.600 0.121 0.000 1.026 422 S CA 0.886 59.166 58.200 0.133 0.000 0.981 422 S CB -0.888 62.373 63.200 0.101 0.000 0.818 422 S HN 0.392 nan 8.310 nan 0.000 0.472 423 L N 0.952 122.240 121.223 0.109 0.000 2.141 423 L HA -0.094 4.239 4.340 -0.011 0.000 0.209 423 L C 3.035 179.957 176.870 0.087 0.000 1.094 423 L CA 1.598 56.489 54.840 0.085 0.000 0.763 423 L CB -0.741 41.361 42.059 0.073 0.000 0.908 423 L HN 0.502 nan 8.230 nan 0.000 0.437 424 H N 0.636 119.738 119.070 0.054 0.000 2.357 424 H HA -0.021 4.528 4.556 -0.011 0.000 0.301 424 H C 0.825 176.163 175.328 0.016 0.000 1.082 424 H CA 1.208 57.287 56.048 0.051 0.000 1.342 424 H CB 0.214 30.044 29.762 0.113 0.000 1.389 424 H HN 0.298 nan 8.280 nan 0.000 0.511 425 G N -2.141 106.752 108.800 0.155 0.000 2.719 425 G HA2 0.145 4.098 3.960 -0.011 0.000 0.686 425 G HA3 0.145 4.098 3.960 -0.011 0.000 0.686 425 G C 0.681 175.629 174.900 0.080 0.000 1.201 425 G CA 0.261 45.378 45.100 0.028 0.000 0.768 425 G HN 1.023 nan 8.290 nan 0.000 0.629 426 G N -0.987 107.725 108.800 -0.147 0.000 2.232 426 G HA2 0.088 4.041 3.960 -0.011 0.000 0.226 426 G HA3 0.088 4.041 3.960 -0.011 0.000 0.226 426 G C 0.267 174.785 174.900 -0.636 0.000 0.996 426 G CA 0.755 45.585 45.100 -0.451 0.000 0.626 426 G HN 1.696 nan 8.290 nan 0.000 0.509 427 F N -0.637 119.347 119.950 0.057 0.000 2.620 427 F HA 0.782 5.302 4.527 -0.011 0.000 0.320 427 F C 0.002 175.856 175.800 0.089 0.000 1.069 427 F CA -1.039 57.012 58.000 0.085 0.000 0.953 427 F CB 2.058 41.108 39.000 0.084 0.000 1.322 427 F HN 0.051 nan 8.300 nan 0.000 0.479 428 L N 4.907 126.351 121.223 0.368 0.000 2.353 428 L HA 0.526 4.859 4.340 -0.011 0.000 0.270 428 L C -2.679 174.427 176.870 0.392 0.000 1.003 428 L CA -1.906 53.128 54.840 0.323 0.000 0.862 428 L CB 1.577 43.811 42.059 0.292 0.000 1.221 428 L HN 0.245 nan 8.230 nan 0.000 0.430 429 P HA 0.223 nan 4.420 nan 0.000 0.284 429 P C -1.790 175.632 177.300 0.202 0.000 1.253 429 P CA -0.029 63.163 63.100 0.153 0.000 0.800 429 P CB 0.913 32.661 31.700 0.081 0.000 0.961 430 Y N -0.646 119.700 120.300 0.077 0.000 2.446 430 Y HA 0.784 5.327 4.550 -0.012 0.000 0.345 430 Y C -0.276 175.615 175.900 -0.015 0.000 0.984 430 Y CA -1.031 57.080 58.100 0.017 0.000 1.058 430 Y CB 1.289 39.790 38.460 0.069 0.000 1.220 430 Y HN 0.466 nan 8.280 nan 0.000 0.455 431 T N -0.321 114.295 114.554 0.103 0.000 2.916 431 T HA 0.801 5.144 4.350 -0.011 0.000 0.292 431 T C -0.819 173.902 174.700 0.035 0.000 1.064 431 T CA -0.895 61.198 62.100 -0.011 0.000 1.011 431 T CB 1.691 70.477 68.868 -0.137 0.000 1.152 431 T HN 0.893 nan 8.240 nan 0.000 0.510 432 S N -0.377 115.354 115.700 0.050 0.000 2.542 432 S HA 0.722 5.186 4.470 -0.011 0.000 0.276 432 S C -1.113 173.572 174.600 0.142 0.000 1.148 432 S CA -0.327 57.944 58.200 0.117 0.000 0.886 432 S CB 1.732 65.042 63.200 0.183 0.000 1.109 432 S HN 1.267 nan 8.310 nan 0.000 0.458 433 T N 2.113 116.814 114.554 0.244 0.000 2.693 433 T HA 0.615 4.958 4.350 -0.011 0.000 0.304 433 T C -1.626 173.228 174.700 0.257 0.000 1.471 433 T CA -0.496 61.682 62.100 0.130 0.000 0.993 433 T CB 0.079 69.007 68.868 0.100 0.000 1.554 433 T HN 0.356 nan 8.240 nan 0.000 0.496 434 F N 2.470 122.485 119.950 0.109 0.000 2.563 434 F HA 0.270 4.790 4.527 -0.013 0.000 0.363 434 F C 1.556 177.284 175.800 -0.121 0.000 1.123 434 F CA -1.044 56.944 58.000 -0.021 0.000 1.307 434 F CB 0.062 38.957 39.000 -0.175 0.000 1.115 434 F HN 0.477 nan 8.300 nan 0.000 0.592 435 L N 3.340 124.622 121.223 0.097 0.000 2.081 435 L HA -0.261 4.072 4.340 -0.011 0.000 0.212 435 L C 2.222 178.912 176.870 -0.300 0.000 1.080 435 L CA 1.728 56.487 54.840 -0.136 0.000 0.754 435 L CB -0.838 41.201 42.059 -0.032 0.000 0.893 435 L HN 0.738 nan 8.230 nan 0.000 0.433 436 M N -0.830 118.533 119.600 -0.394 0.000 2.144 436 M HA -0.220 4.253 4.480 -0.011 0.000 0.260 436 M C 1.525 177.552 176.300 -0.456 0.000 1.067 436 M CA 1.836 56.813 55.300 -0.538 0.000 1.095 436 M CB -0.601 31.463 32.600 -0.892 0.000 1.365 436 M HN 0.247 nan 8.290 nan 0.000 0.406 437 F N -1.301 118.578 119.950 -0.118 0.000 2.811 437 F HA 0.156 4.675 4.527 -0.013 0.000 0.301 437 F C 2.115 177.827 175.800 -0.147 0.000 1.151 437 F CA -0.009 57.893 58.000 -0.162 0.000 1.412 437 F CB -1.733 37.062 39.000 -0.342 0.000 1.113 437 F HN -0.003 nan 8.300 nan 0.000 0.579 438 V N 0.431 120.222 119.914 -0.205 0.000 2.546 438 V HA -0.273 3.840 4.120 -0.011 0.000 0.254 438 V C 2.048 178.083 176.094 -0.097 0.000 1.076 438 V CA 2.113 64.228 62.300 -0.308 0.000 1.087 438 V CB -0.174 31.258 31.823 -0.651 0.000 0.674 438 V HN 0.366 nan 8.190 nan 0.000 0.470 439 E N -1.160 119.034 120.200 -0.010 0.000 2.153 439 E HA -0.218 4.126 4.350 -0.011 0.000 0.194 439 E C 2.015 178.637 176.600 0.035 0.000 0.988 439 E CA 1.453 57.865 56.400 0.019 0.000 0.811 439 E CB -0.194 29.539 29.700 0.056 0.000 0.746 439 E HN 0.754 nan 8.360 nan 0.000 0.466 440 Y N 0.265 120.526 120.300 -0.066 0.000 2.293 440 Y HA -0.065 4.481 4.550 -0.006 0.000 0.291 440 Y C 2.079 177.816 175.900 -0.272 0.000 1.137 440 Y CA 1.002 59.035 58.100 -0.112 0.000 1.202 440 Y CB -0.031 38.418 38.460 -0.018 0.000 0.990 440 Y HN -0.009 nan 8.280 nan 0.000 0.537 441 A N -1.182 121.612 122.820 -0.042 0.000 2.465 441 A HA 0.205 4.519 4.320 -0.011 0.000 0.255 441 A C 1.903 179.382 177.584 -0.175 0.000 1.274 441 A CA -0.110 51.878 52.037 -0.082 0.000 0.920 441 A CB -0.269 18.806 19.000 0.126 0.000 1.033 441 A HN 0.160 nan 8.150 nan 0.000 0.516 442 R N 1.337 121.689 120.500 -0.246 0.000 2.103 442 R HA -0.145 4.188 4.340 -0.011 0.000 0.242 442 R C 1.834 178.073 176.300 -0.101 0.000 1.142 442 R CA 2.227 58.240 56.100 -0.144 0.000 0.960 442 R CB -0.628 29.588 30.300 -0.140 0.000 0.858 442 R HN 0.664 nan 8.270 nan 0.000 0.439 443 N N -0.679 117.915 118.700 -0.177 0.000 2.331 443 N HA -0.088 4.645 4.740 -0.011 0.000 0.180 443 N C 1.252 176.841 175.510 0.132 0.000 1.019 443 N CA 1.008 54.049 53.050 -0.015 0.000 0.881 443 N CB 0.069 38.559 38.487 0.005 0.000 0.972 443 N HN 0.336 nan 8.380 nan 0.000 0.435 444 A N 0.504 123.479 122.820 0.259 0.000 1.968 444 A HA -0.017 4.296 4.320 -0.011 0.000 0.217 444 A C 2.364 180.039 177.584 0.153 0.000 1.169 444 A CA 0.727 52.929 52.037 0.275 0.000 0.638 444 A CB -0.496 18.739 19.000 0.391 0.000 0.812 444 A HN 0.147 nan 8.150 nan 0.000 0.446 445 V N 0.118 120.107 119.914 0.125 0.000 2.295 445 V HA -0.267 3.846 4.120 -0.011 0.000 0.246 445 V C 2.637 178.783 176.094 0.087 0.000 1.049 445 V CA 2.318 64.685 62.300 0.111 0.000 1.024 445 V CB -0.784 31.108 31.823 0.114 0.000 0.648 445 V HN 0.659 nan 8.190 nan 0.000 0.447 446 R N -0.644 119.896 120.500 0.066 0.000 2.081 446 R HA -0.166 4.168 4.340 -0.011 0.000 0.235 446 R C 2.326 178.662 176.300 0.060 0.000 1.131 446 R CA 1.633 57.765 56.100 0.054 0.000 0.960 446 R CB -0.186 30.134 30.300 0.033 0.000 0.856 446 R HN 0.307 nan 8.270 nan 0.000 0.436 447 M N 0.072 119.715 119.600 0.071 0.000 2.213 447 M HA -0.081 4.393 4.480 -0.011 0.000 0.263 447 M C 2.353 178.692 176.300 0.066 0.000 1.062 447 M CA 1.507 56.846 55.300 0.066 0.000 1.105 447 M CB -1.007 31.637 32.600 0.074 0.000 1.385 447 M HN 0.273 nan 8.290 nan 0.000 0.417 448 A N 0.222 123.087 122.820 0.075 0.000 1.902 448 A HA -0.019 4.294 4.320 -0.011 0.000 0.217 448 A C 2.443 180.071 177.584 0.072 0.000 1.181 448 A CA 2.133 54.213 52.037 0.073 0.000 0.623 448 A CB -0.855 18.190 19.000 0.076 0.000 0.818 448 A HN 0.469 nan 8.150 nan 0.000 0.443 449 A N -0.552 122.312 122.820 0.073 0.000 1.873 449 A HA -0.001 4.312 4.320 -0.011 0.000 0.215 449 A C 2.128 179.755 177.584 0.071 0.000 1.186 449 A CA 1.682 53.764 52.037 0.074 0.000 0.616 449 A CB -0.658 18.385 19.000 0.072 0.000 0.823 449 A HN 0.700 nan 8.150 nan 0.000 0.442 450 L N -0.503 120.757 121.223 0.063 0.000 2.042 450 L HA -0.064 4.269 4.340 -0.011 0.000 0.210 450 L C 2.243 179.154 176.870 0.069 0.000 1.076 450 L CA 2.028 56.904 54.840 0.059 0.000 0.749 450 L CB -0.415 41.668 42.059 0.040 0.000 0.893 450 L HN 0.433 nan 8.230 nan 0.000 0.432 451 M N -0.816 118.824 119.600 0.066 0.000 2.618 451 M HA 0.008 4.481 4.480 -0.011 0.000 0.240 451 M C 0.202 176.549 176.300 0.079 0.000 1.123 451 M CA 0.279 55.623 55.300 0.073 0.000 1.060 451 M CB 0.020 32.658 32.600 0.064 0.000 1.535 451 M HN 0.114 nan 8.290 nan 0.000 0.507 452 K N 1.028 121.475 120.400 0.077 0.000 3.096 452 K HA -0.143 4.171 4.320 -0.011 0.000 0.266 452 K C -0.694 175.945 176.600 0.066 0.000 1.043 452 K CA 0.373 56.705 56.287 0.074 0.000 0.758 452 K CB -1.292 31.253 32.500 0.076 0.000 1.260 452 K HN 0.360 nan 8.250 nan 0.000 0.481 453 Q N 0.992 120.832 119.800 0.067 0.000 2.241 453 Q HA 0.225 4.559 4.340 -0.011 0.000 0.254 453 Q C -0.010 176.029 176.000 0.065 0.000 0.917 453 Q CA -0.427 55.415 55.803 0.065 0.000 0.919 453 Q CB 1.637 30.415 28.738 0.067 0.000 1.237 453 Q HN 0.245 nan 8.270 nan 0.000 0.434 454 R N 2.296 122.834 120.500 0.063 0.000 2.248 454 R HA 0.169 4.502 4.340 -0.011 0.000 0.328 454 R C -0.669 175.680 176.300 0.082 0.000 1.067 454 R CA 0.207 56.346 56.100 0.066 0.000 0.924 454 R CB 0.489 30.822 30.300 0.054 0.000 1.013 454 R HN 0.625 nan 8.270 nan 0.000 0.454 455 Q N 3.815 123.659 119.800 0.074 0.000 2.295 455 Q HA 0.233 4.566 4.340 -0.011 0.000 0.268 455 Q C -1.816 174.199 176.000 0.025 0.000 1.010 455 Q CA -0.776 55.071 55.803 0.072 0.000 0.856 455 Q CB 2.325 31.096 28.738 0.056 0.000 1.349 455 Q HN 0.448 nan 8.270 nan 0.000 0.412 456 V N 4.995 124.917 119.914 0.013 0.000 2.383 456 V HA 0.404 4.517 4.120 -0.011 0.000 0.275 456 V C -0.118 175.855 176.094 -0.201 0.000 1.036 456 V CA -0.135 62.065 62.300 -0.167 0.000 0.889 456 V CB 1.174 32.766 31.823 -0.385 0.000 0.985 456 V HN 0.815 nan 8.190 nan 0.000 0.459 457 M N 5.414 124.817 119.600 -0.328 0.000 2.066 457 M HA 0.417 4.890 4.480 -0.011 0.000 0.340 457 M C -0.793 175.041 176.300 -0.776 0.000 1.053 457 M CA -0.396 54.573 55.300 -0.552 0.000 0.983 457 M CB 1.698 33.943 32.600 -0.591 0.000 1.520 457 M HN 0.341 nan 8.290 nan 0.000 0.428 458 V N 4.760 124.338 119.914 -0.560 0.000 2.304 458 V HA 0.222 4.336 4.120 -0.011 0.000 0.262 458 V C -1.098 174.905 176.094 -0.152 0.000 1.061 458 V CA -0.448 61.678 62.300 -0.290 0.000 0.872 458 V CB -0.414 31.392 31.823 -0.030 0.000 1.077 458 V HN 0.526 nan 8.190 nan 0.000 0.480 459 Y N 3.099 123.443 120.300 0.073 0.000 2.478 459 Y HA 0.509 5.054 4.550 -0.009 0.000 0.329 459 Y C 0.969 176.958 175.900 0.148 0.000 0.967 459 Y CA -1.162 57.002 58.100 0.106 0.000 1.255 459 Y CB 1.357 39.856 38.460 0.065 0.000 1.103 459 Y HN 0.687 nan 8.280 nan 0.000 0.497 460 T N -1.695 113.103 114.554 0.406 0.000 2.884 460 T HA 0.398 4.741 4.350 -0.011 0.000 0.277 460 T C -0.477 174.477 174.700 0.423 0.000 0.976 460 T CA -0.570 61.775 62.100 0.409 0.000 0.956 460 T CB 0.561 69.751 68.868 0.536 0.000 1.113 460 T HN 0.685 nan 8.240 nan 0.000 0.554 461 H N 0.275 119.368 119.070 0.037 0.000 2.827 461 H HA -0.078 4.471 4.556 -0.011 0.000 0.330 461 H C 0.568 175.834 175.328 -0.104 0.000 1.236 461 H CA 0.831 56.799 56.048 -0.133 0.000 1.165 461 H CB -1.766 27.701 29.762 -0.491 0.000 1.532 461 H HN 0.826 nan 8.280 nan 0.000 0.434 462 D N -1.024 119.389 120.400 0.021 0.000 2.355 462 D HA 0.031 4.664 4.640 -0.011 0.000 0.218 462 D C 0.917 177.197 176.300 -0.034 0.000 1.004 462 D CA 0.897 54.905 54.000 0.013 0.000 0.880 462 D CB 0.397 41.220 40.800 0.039 0.000 0.911 462 D HN 0.507 nan 8.370 nan 0.000 0.528 463 S N -0.709 114.951 115.700 -0.066 0.000 2.724 463 S HA 0.268 4.732 4.470 -0.011 0.000 0.278 463 S C 1.172 175.672 174.600 -0.166 0.000 1.190 463 S CA -0.389 57.747 58.200 -0.107 0.000 0.860 463 S CB -0.044 63.103 63.200 -0.089 0.000 1.206 463 S HN 0.037 nan 8.310 nan 0.000 0.507 464 I N -0.507 119.911 120.570 -0.254 0.000 2.623 464 I HA 0.125 4.288 4.170 -0.011 0.000 0.261 464 I C 1.971 177.814 176.117 -0.456 0.000 1.204 464 I CA 1.651 62.749 61.300 -0.337 0.000 1.444 464 I CB -1.198 36.565 38.000 -0.395 0.000 1.094 464 I HN 0.736 nan 8.210 nan 0.000 0.451 465 G N 2.732 111.275 108.800 -0.429 0.000 2.501 465 G HA2 -0.195 3.758 3.960 -0.011 0.000 0.220 465 G HA3 -0.195 3.758 3.960 -0.011 0.000 0.220 465 G C 1.559 176.379 174.900 -0.134 0.000 1.114 465 G CA 1.027 46.001 45.100 -0.209 0.000 0.757 465 G HN 0.647 nan 8.290 nan 0.000 0.559 466 L N -1.138 119.989 121.223 -0.161 0.000 2.291 466 L HA 0.431 4.764 4.340 -0.011 0.000 0.214 466 L C 1.593 178.397 176.870 -0.109 0.000 1.120 466 L CA 0.955 55.704 54.840 -0.151 0.000 0.799 466 L CB -0.824 41.154 42.059 -0.135 0.000 0.925 466 L HN 0.453 nan 8.230 nan 0.000 0.446 467 G N 0.170 108.898 108.800 -0.120 0.000 2.552 467 G HA2 -0.386 3.568 3.960 -0.011 0.000 0.267 467 G HA3 -0.386 3.568 3.960 -0.011 0.000 0.267 467 G C 0.635 175.497 174.900 -0.063 0.000 1.174 467 G CA 0.421 45.469 45.100 -0.086 0.000 0.955 467 G HN 0.369 nan 8.290 nan 0.000 0.546 468 E N 1.116 121.287 120.200 -0.049 0.000 2.265 468 E HA 0.065 4.408 4.350 -0.011 0.000 0.196 468 E C 1.907 178.466 176.600 -0.068 0.000 0.996 468 E CA 1.186 57.561 56.400 -0.042 0.000 0.832 468 E CB -0.142 29.541 29.700 -0.029 0.000 0.756 468 E HN 0.456 nan 8.360 nan 0.000 0.491 469 D N -0.080 120.255 120.400 -0.108 0.000 2.221 469 D HA -0.019 4.614 4.640 -0.011 0.000 0.204 469 D C 1.086 177.283 176.300 -0.170 0.000 0.982 469 D CA 1.357 55.223 54.000 -0.223 0.000 0.857 469 D CB -0.206 40.352 40.800 -0.404 0.000 0.934 469 D HN 0.242 nan 8.370 nan 0.000 0.475 470 G N -0.019 108.739 108.800 -0.070 0.000 2.698 470 G HA2 -0.193 3.760 3.960 -0.011 0.000 0.225 470 G HA3 -0.193 3.760 3.960 -0.011 0.000 0.225 470 G C -1.980 172.941 174.900 0.035 0.000 1.345 470 G CA -0.132 44.962 45.100 -0.009 0.000 0.871 470 G HN -0.021 nan 8.290 nan 0.000 0.540 471 P HA -0.072 nan 4.420 nan 0.000 0.223 471 P C 1.877 179.200 177.300 0.039 0.000 1.151 471 P CA 2.617 65.748 63.100 0.052 0.000 0.787 471 P CB -0.336 31.389 31.700 0.041 0.000 0.788 472 T N -4.823 109.783 114.554 0.087 0.000 3.035 472 T HA -0.100 4.243 4.350 -0.011 0.000 0.268 472 T C 1.442 176.242 174.700 0.167 0.000 1.109 472 T CA 1.183 63.368 62.100 0.142 0.000 1.119 472 T CB -0.881 68.131 68.868 0.240 0.000 0.900 472 T HN 0.153 nan 8.240 nan 0.000 0.503 473 H N 0.383 119.433 119.070 -0.032 0.000 2.788 473 H HA 0.404 4.953 4.556 -0.012 0.000 0.262 473 H C 0.554 175.771 175.328 -0.184 0.000 0.968 473 H CA -0.094 55.876 56.048 -0.130 0.000 1.218 473 H CB 0.259 29.984 29.762 -0.062 0.000 1.443 473 H HN 0.427 nan 8.280 nan 0.000 0.478 474 Q N 2.315 122.119 119.800 0.007 0.000 2.344 474 Q HA 0.192 4.525 4.340 -0.011 0.000 0.253 474 Q C -2.444 173.520 176.000 -0.059 0.000 1.050 474 Q CA -2.003 53.770 55.803 -0.050 0.000 0.912 474 Q CB 1.037 29.745 28.738 -0.051 0.000 1.258 474 Q HN 0.170 nan 8.270 nan 0.000 0.443 475 P HA -0.062 nan 4.420 nan 0.000 0.269 475 P C -0.296 176.969 177.300 -0.058 0.000 1.209 475 P CA 0.083 63.139 63.100 -0.075 0.000 0.776 475 P CB 1.084 32.733 31.700 -0.085 0.000 0.876 476 V N 1.574 121.465 119.914 -0.037 0.000 3.279 476 V HA 0.025 4.138 4.120 -0.011 0.000 0.213 476 V C 1.659 177.736 176.094 -0.027 0.000 1.335 476 V CA 0.630 62.903 62.300 -0.045 0.000 1.317 476 V CB -0.273 31.506 31.823 -0.073 0.000 1.209 476 V HN 0.566 nan 8.190 nan 0.000 0.525 477 E N 0.119 120.303 120.200 -0.028 0.000 2.481 477 E HA -0.016 4.327 4.350 -0.011 0.000 0.198 477 E C 1.470 178.048 176.600 -0.037 0.000 1.027 477 E CA 0.222 56.607 56.400 -0.024 0.000 0.900 477 E CB 0.478 30.163 29.700 -0.026 0.000 0.993 477 E HN 0.487 nan 8.360 nan 0.000 0.482 478 Q N 0.903 120.675 119.800 -0.048 0.000 2.123 478 Q HA -0.008 4.325 4.340 -0.011 0.000 0.199 478 Q C 2.306 178.261 176.000 -0.076 0.000 0.966 478 Q CA 1.450 57.213 55.803 -0.067 0.000 0.845 478 Q CB -0.359 28.322 28.738 -0.095 0.000 0.907 478 Q HN 0.154 nan 8.270 nan 0.000 0.439 479 V N 0.767 120.635 119.914 -0.077 0.000 2.343 479 V HA -0.273 3.841 4.120 -0.011 0.000 0.247 479 V C 2.172 178.145 176.094 -0.201 0.000 1.051 479 V CA 1.731 63.968 62.300 -0.106 0.000 1.036 479 V CB -1.196 30.575 31.823 -0.087 0.000 0.654 479 V HN 0.416 nan 8.190 nan 0.000 0.451 480 A N -0.599 122.090 122.820 -0.217 0.000 1.940 480 A HA -0.267 4.046 4.320 -0.011 0.000 0.219 480 A C 2.563 180.066 177.584 -0.135 0.000 1.176 480 A CA 2.358 54.228 52.037 -0.277 0.000 0.631 480 A CB -0.794 18.154 19.000 -0.087 0.000 0.814 480 A HN 0.489 nan 8.150 nan 0.000 0.446 481 S N -0.674 114.979 115.700 -0.077 0.000 2.368 481 S HA -0.072 4.392 4.470 -0.011 0.000 0.224 481 S C 1.911 176.487 174.600 -0.039 0.000 1.029 481 S CA 1.342 59.518 58.200 -0.041 0.000 0.988 481 S CB -0.466 62.713 63.200 -0.036 0.000 0.838 481 S HN 0.496 nan 8.310 nan 0.000 0.462 482 L N 0.787 121.978 121.223 -0.052 0.000 2.056 482 L HA -0.027 4.306 4.340 -0.011 0.000 0.207 482 L C 2.875 179.722 176.870 -0.038 0.000 1.078 482 L CA 1.222 56.049 54.840 -0.023 0.000 0.749 482 L CB -0.433 41.628 42.059 0.004 0.000 0.901 482 L HN 0.245 nan 8.230 nan 0.000 0.433 483 R N -0.196 120.236 120.500 -0.114 0.000 2.120 483 R HA -0.112 4.221 4.340 -0.011 0.000 0.234 483 R C 1.821 178.119 176.300 -0.003 0.000 1.123 483 R CA 1.582 57.607 56.100 -0.125 0.000 0.975 483 R CB -0.268 29.794 30.300 -0.396 0.000 0.866 483 R HN 0.403 nan 8.270 nan 0.000 0.446 484 V N -2.153 117.772 119.914 0.019 0.000 3.514 484 V HA 0.154 4.267 4.120 -0.011 0.000 0.301 484 V C 0.256 176.370 176.094 0.033 0.000 1.346 484 V CA -0.034 62.297 62.300 0.052 0.000 1.156 484 V CB 0.370 32.232 31.823 0.065 0.000 1.029 484 V HN -0.091 nan 8.190 nan 0.000 0.428 485 T N 4.193 118.763 114.554 0.027 0.000 2.761 485 T HA 0.386 4.729 4.350 -0.011 0.000 0.296 485 T C -2.391 172.335 174.700 0.044 0.000 0.934 485 T CA -0.566 61.553 62.100 0.032 0.000 1.091 485 T CB 1.033 69.920 68.868 0.033 0.000 0.896 485 T HN 0.337 nan 8.240 nan 0.000 0.515 486 P HA 0.093 nan 4.420 nan 0.000 0.264 486 P C 0.664 178.002 177.300 0.064 0.000 1.183 486 P CA 0.258 63.390 63.100 0.053 0.000 0.763 486 P CB 0.232 31.962 31.700 0.049 0.000 0.807 487 N N 0.158 118.902 118.700 0.073 0.000 2.778 487 N HA -0.213 4.520 4.740 -0.011 0.000 0.249 487 N C -0.302 175.266 175.510 0.098 0.000 1.069 487 N CA 0.879 53.981 53.050 0.086 0.000 0.831 487 N CB -1.286 37.250 38.487 0.082 0.000 1.142 487 N HN 0.364 nan 8.380 nan 0.000 0.573 488 M N 0.459 120.113 119.600 0.091 0.000 2.216 488 M HA 0.458 4.931 4.480 -0.011 0.000 0.356 488 M C -0.110 176.262 176.300 0.119 0.000 1.205 488 M CA -0.372 54.988 55.300 0.101 0.000 1.122 488 M CB 1.453 34.100 32.600 0.079 0.000 1.571 488 M HN 0.106 nan 8.290 nan 0.000 0.464 489 S N 2.671 118.473 115.700 0.169 0.000 2.451 489 S HA 0.792 5.255 4.470 -0.011 0.000 0.301 489 S C -1.067 173.645 174.600 0.186 0.000 1.116 489 S CA -0.477 57.849 58.200 0.209 0.000 1.093 489 S CB 0.603 64.067 63.200 0.441 0.000 1.017 489 S HN 0.800 nan 8.310 nan 0.000 0.482 490 T N 5.011 119.587 114.554 0.037 0.000 2.881 490 T HA 0.479 4.822 4.350 -0.011 0.000 0.291 490 T C -1.582 173.035 174.700 -0.138 0.000 0.990 490 T CA -0.317 61.802 62.100 0.031 0.000 0.976 490 T CB 0.439 69.286 68.868 -0.034 0.000 0.970 490 T HN 0.635 nan 8.240 nan 0.000 0.438 491 W N 2.115 123.393 121.300 -0.037 0.000 2.600 491 W HA 0.593 5.246 4.660 -0.012 0.000 0.325 491 W C 0.387 176.900 176.519 -0.011 0.000 1.034 491 W CA -0.998 56.325 57.345 -0.037 0.000 1.226 491 W CB 1.338 30.765 29.460 -0.055 0.000 1.379 491 W HN 0.389 nan 8.180 nan 0.000 0.466 492 R N 4.983 125.579 120.500 0.160 0.000 2.477 492 R HA 0.324 4.657 4.340 -0.011 0.000 0.285 492 R C -2.487 173.894 176.300 0.135 0.000 1.415 492 R CA -1.697 54.477 56.100 0.123 0.000 1.446 492 R CB 0.634 30.975 30.300 0.068 0.000 1.110 492 R HN 0.086 nan 8.270 nan 0.000 0.590 493 P HA 0.006 nan 4.420 nan 0.000 0.271 493 P C 0.749 178.106 177.300 0.096 0.000 1.218 493 P CA -0.247 62.953 63.100 0.165 0.000 0.780 493 P CB 1.120 32.919 31.700 0.166 0.000 0.901 494 C N 0.643 119.992 119.300 0.082 0.000 2.696 494 C HA 0.234 4.687 4.460 -0.011 0.000 0.264 494 C C 0.414 175.418 174.990 0.023 0.000 1.288 494 C CA 0.194 59.230 59.018 0.031 0.000 1.717 494 C CB -1.402 26.342 27.740 0.007 0.000 1.893 494 C HN 0.661 nan 8.230 nan 0.000 0.577 495 D N -0.822 119.604 120.400 0.044 0.000 2.851 495 D HA 0.105 4.738 4.640 -0.011 0.000 0.339 495 D C 0.731 177.051 176.300 0.032 0.000 1.347 495 D CA -0.069 53.947 54.000 0.026 0.000 0.888 495 D CB 0.264 41.072 40.800 0.013 0.000 1.431 495 D HN 0.260 nan 8.370 nan 0.000 0.509 496 Q N -0.321 119.484 119.800 0.009 0.000 2.224 496 Q HA -0.014 4.319 4.340 -0.011 0.000 0.203 496 Q C 1.232 177.218 176.000 -0.023 0.000 0.970 496 Q CA 1.572 57.374 55.803 -0.001 0.000 0.865 496 Q CB -0.323 28.400 28.738 -0.025 0.000 0.922 496 Q HN 0.286 nan 8.270 nan 0.000 0.445 497 V N 1.607 121.504 119.914 -0.028 0.000 2.302 497 V HA -0.188 3.925 4.120 -0.011 0.000 0.243 497 V C 2.119 178.221 176.094 0.014 0.000 1.036 497 V CA 1.971 64.244 62.300 -0.045 0.000 1.020 497 V CB -0.614 31.183 31.823 -0.044 0.000 0.657 497 V HN 0.367 nan 8.190 nan 0.000 0.453 498 E N 0.577 120.816 120.200 0.065 0.000 2.160 498 E HA -0.182 4.161 4.350 -0.011 0.000 0.195 498 E C 2.395 179.066 176.600 0.117 0.000 0.991 498 E CA 1.564 58.040 56.400 0.126 0.000 0.810 498 E CB -0.202 29.611 29.700 0.189 0.000 0.742 498 E HN 0.535 nan 8.360 nan 0.000 0.466 499 S N 0.789 116.550 115.700 0.102 0.000 2.368 499 S HA -0.157 4.307 4.470 -0.011 0.000 0.225 499 S C 2.138 176.838 174.600 0.166 0.000 1.030 499 S CA 1.033 59.312 58.200 0.131 0.000 0.999 499 S CB -0.131 63.147 63.200 0.130 0.000 0.844 499 S HN 0.393 nan 8.310 nan 0.000 0.459 500 A N 1.060 123.958 122.820 0.129 0.000 1.930 500 A HA -0.005 4.309 4.320 -0.011 0.000 0.217 500 A C 2.315 180.032 177.584 0.221 0.000 1.175 500 A CA 1.263 53.416 52.037 0.194 0.000 0.627 500 A CB -0.803 18.272 19.000 0.125 0.000 0.815 500 A HN 0.338 nan 8.150 nan 0.000 0.443 501 V N -0.067 119.903 119.914 0.093 0.000 2.343 501 V HA -0.254 3.860 4.120 -0.011 0.000 0.247 501 V C 3.037 179.017 176.094 -0.190 0.000 1.051 501 V CA 1.931 64.241 62.300 0.016 0.000 1.036 501 V CB -1.231 30.593 31.823 0.002 0.000 0.654 501 V HN 0.608 nan 8.190 nan 0.000 0.451 502 A N -1.287 121.340 122.820 -0.322 0.000 1.902 502 A HA -0.247 4.066 4.320 -0.011 0.000 0.217 502 A C 1.970 179.336 177.584 -0.365 0.000 1.181 502 A CA 1.781 53.353 52.037 -0.774 0.000 0.623 502 A CB -0.888 17.877 19.000 -0.393 0.000 0.818 502 A HN 0.641 nan 8.150 nan 0.000 0.443 503 W N 0.282 121.518 121.300 -0.107 0.000 2.335 503 W HA -0.185 4.469 4.660 -0.011 0.000 0.311 503 W C 2.477 179.178 176.519 0.303 0.000 1.213 503 W CA 2.082 59.473 57.345 0.077 0.000 1.274 503 W CB 0.067 29.535 29.460 0.013 0.000 1.148 503 W HN 0.328 nan 8.180 nan 0.000 0.498 504 K N -0.811 119.966 120.400 0.629 0.000 2.057 504 K HA -0.294 4.019 4.320 -0.011 0.000 0.207 504 K C 2.012 178.765 176.600 0.255 0.000 1.049 504 K CA 1.790 58.373 56.287 0.494 0.000 0.931 504 K CB -0.814 31.900 32.500 0.356 0.000 0.714 504 K HN 0.216 nan 8.250 nan 0.000 0.440 505 Y N 0.719 120.985 120.300 -0.057 0.000 2.165 505 Y HA -0.170 4.373 4.550 -0.011 0.000 0.286 505 Y C 2.129 177.999 175.900 -0.050 0.000 1.155 505 Y CA 2.010 60.038 58.100 -0.119 0.000 1.164 505 Y CB -0.617 37.595 38.460 -0.414 0.000 0.978 505 Y HN 0.193 nan 8.280 nan 0.000 0.513 506 G N -0.427 108.426 108.800 0.089 0.000 2.446 506 G HA2 -0.292 3.661 3.960 -0.011 0.000 0.217 506 G HA3 -0.292 3.661 3.960 -0.011 0.000 0.217 506 G C 1.628 176.569 174.900 0.068 0.000 1.168 506 G CA 1.896 47.022 45.100 0.043 0.000 0.771 506 G HN 0.501 nan 8.290 nan 0.000 0.551 507 V N -1.733 118.279 119.914 0.163 0.000 2.809 507 V HA 0.089 4.202 4.120 -0.011 0.000 0.256 507 V C 1.974 178.037 176.094 -0.052 0.000 1.080 507 V CA 2.104 64.468 62.300 0.107 0.000 1.102 507 V CB -0.375 31.523 31.823 0.125 0.000 0.705 507 V HN 0.435 nan 8.190 nan 0.000 0.475 508 E N -0.006 120.163 120.200 -0.052 0.000 2.478 508 E HA 0.136 4.480 4.350 -0.011 0.000 0.194 508 E C 0.681 177.200 176.600 -0.134 0.000 1.045 508 E CA -0.358 55.981 56.400 -0.101 0.000 0.868 508 E CB 0.155 29.817 29.700 -0.064 0.000 0.885 508 E HN 0.560 nan 8.360 nan 0.000 0.505 509 R N 1.183 121.601 120.500 -0.137 0.000 2.522 509 R HA 0.015 4.349 4.340 -0.011 0.000 0.284 509 R C 0.831 177.101 176.300 -0.050 0.000 1.032 509 R CA 0.572 56.605 56.100 -0.111 0.000 1.049 509 R CB 0.447 30.723 30.300 -0.041 0.000 0.956 509 R HN 0.234 nan 8.270 nan 0.000 0.422 510 Q N 0.833 120.609 119.800 -0.040 0.000 2.281 510 Q HA -0.022 4.312 4.340 -0.011 0.000 0.215 510 Q C -0.128 175.876 176.000 0.006 0.000 0.867 510 Q CA 0.400 56.191 55.803 -0.019 0.000 0.940 510 Q CB 0.718 29.441 28.738 -0.025 0.000 1.111 510 Q HN 0.615 nan 8.270 nan 0.000 0.513 511 D N -1.382 119.029 120.400 0.018 0.000 2.651 511 D HA 0.245 4.878 4.640 -0.011 0.000 0.280 511 D C 0.289 176.622 176.300 0.057 0.000 1.496 511 D CA -0.075 53.947 54.000 0.038 0.000 0.792 511 D CB 0.485 41.306 40.800 0.036 0.000 1.144 511 D HN 0.097 nan 8.370 nan 0.000 0.470 512 G N 0.332 109.169 108.800 0.061 0.000 2.368 512 G HA2 0.459 4.412 3.960 -0.011 0.000 0.293 512 G HA3 0.459 4.412 3.960 -0.011 0.000 0.293 512 G C -3.471 171.481 174.900 0.086 0.000 1.467 512 G CA -0.982 44.166 45.100 0.079 0.000 0.804 512 G HN -0.063 nan 8.290 nan 0.000 0.535 513 P HA 0.543 nan 4.420 nan 0.000 0.281 513 P C -0.776 176.592 177.300 0.113 0.000 1.264 513 P CA -0.167 62.984 63.100 0.085 0.000 0.824 513 P CB 1.767 33.513 31.700 0.077 0.000 1.092 514 T N 0.152 114.752 114.554 0.076 0.000 2.949 514 T HA 0.564 4.907 4.350 -0.011 0.000 0.300 514 T C -0.558 174.141 174.700 -0.002 0.000 0.988 514 T CA -0.328 61.837 62.100 0.108 0.000 0.993 514 T CB 1.114 70.052 68.868 0.116 0.000 0.984 514 T HN 0.463 nan 8.240 nan 0.000 0.442 515 A N 4.154 127.013 122.820 0.064 0.000 2.274 515 A HA 0.776 5.089 4.320 -0.011 0.000 0.309 515 A C -0.297 177.306 177.584 0.032 0.000 1.226 515 A CA -0.628 51.409 52.037 -0.001 0.000 0.853 515 A CB 0.198 19.296 19.000 0.163 0.000 1.146 515 A HN 0.854 nan 8.150 nan 0.000 0.518 516 L N 3.883 125.043 121.223 -0.105 0.000 2.272 516 L HA 0.400 4.733 4.340 -0.011 0.000 0.289 516 L C -0.718 176.187 176.870 0.059 0.000 1.032 516 L CA -0.654 54.160 54.840 -0.043 0.000 0.810 516 L CB 1.261 43.181 42.059 -0.231 0.000 1.205 516 L HN 0.486 nan 8.230 nan 0.000 0.422 517 I N 5.645 126.287 120.570 0.120 0.000 2.330 517 I HA 0.413 4.576 4.170 -0.011 0.000 0.286 517 I C -0.111 176.075 176.117 0.115 0.000 1.025 517 I CA -0.206 61.177 61.300 0.137 0.000 1.197 517 I CB 0.911 38.977 38.000 0.111 0.000 1.358 517 I HN 0.472 nan 8.210 nan 0.000 0.467 518 L N 5.043 126.343 121.223 0.127 0.000 2.354 518 L HA 0.528 4.861 4.340 -0.011 0.000 0.269 518 L C 0.557 177.477 176.870 0.084 0.000 1.005 518 L CA -0.667 54.239 54.840 0.111 0.000 0.819 518 L CB 2.248 44.388 42.059 0.135 0.000 1.311 518 L HN 0.592 nan 8.230 nan 0.000 0.423 519 S N 1.036 116.762 115.700 0.043 0.000 2.610 519 S HA 0.345 4.808 4.470 -0.011 0.000 0.273 519 S C 0.747 175.294 174.600 -0.088 0.000 1.274 519 S CA -0.633 57.558 58.200 -0.015 0.000 1.023 519 S CB 1.875 65.070 63.200 -0.007 0.000 0.962 519 S HN 0.766 nan 8.310 nan 0.000 0.523 520 R N 0.897 121.253 120.500 -0.241 0.000 2.090 520 R HA -0.025 4.308 4.340 -0.011 0.000 0.228 520 R C 0.884 177.089 176.300 -0.158 0.000 1.110 520 R CA 0.861 56.727 56.100 -0.389 0.000 0.973 520 R CB -0.111 29.797 30.300 -0.654 0.000 0.869 520 R HN 0.890 nan 8.270 nan 0.000 0.440 521 Q N 1.157 120.904 119.800 -0.088 0.000 2.205 521 Q HA 0.139 4.472 4.340 -0.011 0.000 0.249 521 Q C -1.091 174.901 176.000 -0.013 0.000 0.948 521 Q CA -0.641 55.145 55.803 -0.029 0.000 0.895 521 Q CB 0.640 29.388 28.738 0.016 0.000 1.249 521 Q HN -0.019 nan 8.270 nan 0.000 0.458 522 N N 1.355 120.051 118.700 -0.006 0.000 2.458 522 N HA 0.208 4.942 4.740 -0.011 0.000 0.258 522 N C -0.570 174.929 175.510 -0.017 0.000 1.219 522 N CA 0.235 53.281 53.050 -0.007 0.000 0.902 522 N CB 0.341 38.826 38.487 -0.004 0.000 1.076 522 N HN 0.459 nan 8.380 nan 0.000 0.455 523 L N 1.174 122.387 121.223 -0.017 0.000 2.341 523 L HA 0.564 4.897 4.340 -0.011 0.000 0.278 523 L C 0.486 177.340 176.870 -0.027 0.000 1.005 523 L CA -1.222 53.600 54.840 -0.029 0.000 0.818 523 L CB 1.623 43.670 42.059 -0.020 0.000 1.259 523 L HN 0.424 nan 8.230 nan 0.000 0.418 524 A N 2.702 125.499 122.820 -0.038 0.000 2.445 524 A HA 0.213 4.526 4.320 -0.011 0.000 0.242 524 A C -0.090 177.479 177.584 -0.026 0.000 1.075 524 A CA -0.030 51.987 52.037 -0.033 0.000 0.777 524 A CB 0.471 19.445 19.000 -0.043 0.000 1.013 524 A HN 0.793 nan 8.150 nan 0.000 0.493 525 Q N 1.120 120.908 119.800 -0.020 0.000 2.261 525 Q HA 0.254 4.587 4.340 -0.011 0.000 0.252 525 Q C -0.595 175.397 176.000 -0.014 0.000 0.915 525 Q CA -0.497 55.298 55.803 -0.015 0.000 0.915 525 Q CB 0.584 29.311 28.738 -0.018 0.000 1.204 525 Q HN 0.723 nan 8.270 nan 0.000 0.421 526 Q N 2.429 122.227 119.800 -0.003 0.000 2.235 526 Q HA 0.202 4.535 4.340 -0.011 0.000 0.250 526 Q C -0.798 175.207 176.000 0.008 0.000 0.909 526 Q CA -0.119 55.684 55.803 0.000 0.000 0.910 526 Q CB 1.343 30.090 28.738 0.015 0.000 1.223 526 Q HN 0.668 nan 8.270 nan 0.000 0.432 527 E N 1.895 122.097 120.200 0.004 0.000 2.373 527 E HA 0.245 4.588 4.350 -0.011 0.000 0.267 527 E C -0.385 176.229 176.600 0.023 0.000 1.032 527 E CA 0.103 56.507 56.400 0.007 0.000 0.889 527 E CB 0.840 30.542 29.700 0.004 0.000 0.984 527 E HN 0.175 nan 8.360 nan 0.000 0.425 528 R N 0.935 121.446 120.500 0.018 0.000 2.604 528 R HA 0.228 4.562 4.340 -0.011 0.000 0.281 528 R C -0.354 175.953 176.300 0.011 0.000 1.020 528 R CA -0.621 55.495 56.100 0.026 0.000 0.899 528 R CB 1.872 32.178 30.300 0.011 0.000 1.205 528 R HN 0.636 nan 8.270 nan 0.000 0.450 529 T N -1.127 113.439 114.554 0.020 0.000 2.766 529 T HA 0.058 4.402 4.350 -0.011 0.000 0.295 529 T C 1.155 175.855 174.700 0.000 0.000 1.024 529 T CA -0.635 61.473 62.100 0.014 0.000 1.018 529 T CB 0.745 69.629 68.868 0.027 0.000 1.002 529 T HN 0.428 nan 8.240 nan 0.000 0.532 530 E N 0.318 120.518 120.200 0.000 0.000 2.085 530 E HA -0.172 4.171 4.350 -0.011 0.000 0.194 530 E C 1.957 178.552 176.600 -0.008 0.000 0.994 530 E CA 1.538 57.934 56.400 -0.007 0.000 0.801 530 E CB -0.378 29.321 29.700 -0.002 0.000 0.743 530 E HN 0.934 nan 8.360 nan 0.000 0.453 531 E N 0.728 120.934 120.200 0.010 0.000 2.077 531 E HA -0.204 4.139 4.350 -0.011 0.000 0.193 531 E C 2.068 178.671 176.600 0.005 0.000 0.989 531 E CA 0.996 57.410 56.400 0.023 0.000 0.800 531 E CB 0.094 29.825 29.700 0.052 0.000 0.746 531 E HN 0.275 nan 8.360 nan 0.000 0.452 532 Q N 0.133 119.933 119.800 0.000 0.000 2.084 532 Q HA -0.181 4.152 4.340 -0.011 0.000 0.202 532 Q C 2.352 178.198 176.000 -0.257 0.000 0.978 532 Q CA 1.260 57.021 55.803 -0.069 0.000 0.844 532 Q CB -0.165 28.601 28.738 0.047 0.000 0.898 532 Q HN 0.261 nan 8.270 nan 0.000 0.426 533 L N 0.778 121.915 121.223 -0.143 0.000 2.012 533 L HA -0.191 4.142 4.340 -0.011 0.000 0.210 533 L C 2.152 178.942 176.870 -0.135 0.000 1.073 533 L CA 2.247 57.002 54.840 -0.141 0.000 0.748 533 L CB -0.801 41.213 42.059 -0.074 0.000 0.891 533 L HN 0.155 nan 8.230 nan 0.000 0.431 534 A N -0.932 121.835 122.820 -0.088 0.000 1.969 534 A HA -0.162 4.152 4.320 -0.011 0.000 0.218 534 A C 1.940 179.483 177.584 -0.067 0.000 1.169 534 A CA 1.646 53.650 52.037 -0.055 0.000 0.635 534 A CB -0.662 18.323 19.000 -0.026 0.000 0.810 534 A HN 0.605 nan 8.150 nan 0.000 0.445 535 N N -0.138 118.493 118.700 -0.116 0.000 2.467 535 N HA 0.076 4.809 4.740 -0.011 0.000 0.184 535 N C 1.366 176.792 175.510 -0.141 0.000 1.106 535 N CA 0.430 53.432 53.050 -0.080 0.000 0.892 535 N CB -0.293 38.243 38.487 0.082 0.000 0.969 535 N HN 0.575 nan 8.380 nan 0.000 0.454 536 I N 0.886 121.257 120.570 -0.331 0.000 2.194 536 I HA -0.281 3.883 4.170 -0.011 0.000 0.246 536 I C 2.114 178.363 176.117 0.220 0.000 1.093 536 I CA 1.165 62.376 61.300 -0.148 0.000 1.355 536 I CB -0.314 37.629 38.000 -0.095 0.000 1.046 536 I HN 0.061 nan 8.210 nan 0.000 0.413 537 A N 0.604 123.531 122.820 0.178 0.000 2.178 537 A HA -0.130 4.183 4.320 -0.011 0.000 0.218 537 A C 2.175 179.961 177.584 0.337 0.000 1.157 537 A CA 1.079 53.306 52.037 0.318 0.000 0.689 537 A CB -0.558 18.574 19.000 0.220 0.000 0.787 537 A HN 0.393 nan 8.150 nan 0.000 0.465 538 R N -1.404 119.211 120.500 0.193 0.000 2.310 538 R HA 0.191 4.524 4.340 -0.011 0.000 0.202 538 R C 1.552 177.987 176.300 0.226 0.000 0.933 538 R CA 0.525 56.696 56.100 0.118 0.000 1.054 538 R CB -0.102 30.101 30.300 -0.163 0.000 0.985 538 R HN 0.630 nan 8.270 nan 0.000 0.489 539 G N 0.296 109.213 108.800 0.195 0.000 2.363 539 G HA2 -0.272 3.681 3.960 -0.011 0.000 0.238 539 G HA3 -0.272 3.681 3.960 -0.011 0.000 0.238 539 G C 0.318 175.274 174.900 0.094 0.000 1.062 539 G CA -0.010 45.056 45.100 -0.056 0.000 0.629 539 G HN 0.615 nan 8.290 nan 0.000 0.514 540 G N -0.648 108.365 108.800 0.355 0.000 2.731 540 G HA2 0.862 4.816 3.960 -0.011 0.000 0.298 540 G HA3 0.862 4.816 3.960 -0.011 0.000 0.298 540 G C -0.982 174.176 174.900 0.430 0.000 1.424 540 G CA 0.140 45.306 45.100 0.110 0.000 1.029 540 G HN 1.637 nan 8.290 nan 0.000 0.518 541 Y N -0.823 119.524 120.300 0.077 0.000 2.624 541 Y HA 0.674 5.217 4.550 -0.011 0.000 0.334 541 Y C -0.937 174.969 175.900 0.010 0.000 1.155 541 Y CA -1.726 56.458 58.100 0.139 0.000 1.046 541 Y CB 0.997 39.581 38.460 0.207 0.000 1.316 541 Y HN 0.436 nan 8.280 nan 0.000 0.457 542 V N 3.782 123.746 119.914 0.083 0.000 2.439 542 V HA 0.047 4.160 4.120 -0.011 0.000 0.271 542 V C 0.605 176.708 176.094 0.015 0.000 1.040 542 V CA 0.074 62.355 62.300 -0.031 0.000 1.002 542 V CB 0.527 32.356 31.823 0.010 0.000 1.000 542 V HN 0.900 nan 8.190 nan 0.000 0.477 543 L N 4.995 126.115 121.223 -0.172 0.000 2.221 543 L HA 0.357 4.691 4.340 -0.011 0.000 0.202 543 L C 0.829 177.614 176.870 -0.142 0.000 1.074 543 L CA 1.564 56.336 54.840 -0.113 0.000 0.795 543 L CB 0.049 41.956 42.059 -0.252 0.000 0.960 543 L HN 0.429 nan 8.230 nan 0.000 0.458 544 K N 0.303 120.539 120.400 -0.274 0.000 2.422 544 K HA 0.458 4.772 4.320 -0.011 0.000 0.251 544 K C -1.379 175.076 176.600 -0.242 0.000 0.933 544 K CA -0.566 55.471 56.287 -0.417 0.000 0.798 544 K CB 2.204 34.022 32.500 -1.138 0.000 1.238 544 K HN -0.102 nan 8.250 nan 0.000 0.428 545 D N 0.054 120.441 120.400 -0.022 0.000 2.636 545 D HA 0.552 5.186 4.640 -0.011 0.000 0.275 545 D C -0.888 175.540 176.300 0.212 0.000 1.130 545 D CA -0.289 53.770 54.000 0.098 0.000 1.031 545 D CB 1.564 42.395 40.800 0.051 0.000 1.451 545 D HN 0.652 nan 8.370 nan 0.000 0.505 546 C N -0.555 118.828 119.300 0.140 0.000 2.913 546 C HA 0.989 5.442 4.460 -0.011 0.000 0.322 546 C C 0.116 175.143 174.990 0.061 0.000 1.292 546 C CA -1.006 58.073 59.018 0.102 0.000 1.649 546 C CB 0.466 28.254 27.740 0.080 0.000 2.139 546 C HN 0.632 nan 8.230 nan 0.000 0.475 547 A N 1.299 124.145 122.820 0.044 0.000 2.409 547 A HA 0.670 4.983 4.320 -0.011 0.000 0.262 547 A C 1.003 178.601 177.584 0.023 0.000 1.113 547 A CA 1.071 53.126 52.037 0.030 0.000 0.790 547 A CB -0.915 18.099 19.000 0.024 0.000 1.046 547 A HN 3.064 nan 8.150 nan 0.000 0.496 548 G N 0.986 109.799 108.800 0.020 0.000 2.741 548 G HA2 -0.080 3.873 3.960 -0.011 0.000 0.222 548 G HA3 -0.080 3.873 3.960 -0.011 0.000 0.222 548 G C -0.024 174.884 174.900 0.014 0.000 1.364 548 G CA 0.126 45.235 45.100 0.015 0.000 0.866 548 G HN 1.444 nan 8.290 nan 0.000 0.555 549 Q N 0.707 120.512 119.800 0.008 0.000 2.289 549 Q HA 0.460 4.794 4.340 -0.011 0.000 0.273 549 Q C -1.931 174.070 176.000 0.002 0.000 1.029 549 Q CA -0.773 55.033 55.803 0.004 0.000 0.896 549 Q CB 0.520 29.259 28.738 0.001 0.000 1.182 549 Q HN 0.435 nan 8.270 nan 0.000 0.385 550 P HA -0.020 nan 4.420 nan 0.000 0.269 550 P C -0.604 176.683 177.300 -0.021 0.000 1.209 550 P CA 0.178 63.276 63.100 -0.004 0.000 0.776 550 P CB 0.750 32.447 31.700 -0.006 0.000 0.876 551 E N 0.382 120.564 120.200 -0.029 0.000 2.318 551 E HA 0.089 4.432 4.350 -0.011 0.000 0.193 551 E C 0.040 176.594 176.600 -0.077 0.000 0.998 551 E CA 0.419 56.792 56.400 -0.045 0.000 0.859 551 E CB 0.185 29.859 29.700 -0.042 0.000 0.812 551 E HN 0.162 nan 8.360 nan 0.000 0.492 552 L N 0.659 121.823 121.223 -0.098 0.000 2.526 552 L HA 0.411 4.744 4.340 -0.011 0.000 0.263 552 L C -1.849 174.891 176.870 -0.216 0.000 0.943 552 L CA -0.327 54.397 54.840 -0.194 0.000 0.859 552 L CB 1.800 43.714 42.059 -0.242 0.000 1.313 552 L HN -0.166 nan 8.230 nan 0.000 0.406 553 I N 4.886 125.291 120.570 -0.275 0.000 2.418 553 I HA 0.385 4.549 4.170 -0.011 0.000 0.287 553 I C -1.002 174.916 176.117 -0.331 0.000 1.008 553 I CA -0.397 60.774 61.300 -0.215 0.000 1.104 553 I CB 1.479 39.409 38.000 -0.118 0.000 1.264 553 I HN 0.407 nan 8.210 nan 0.000 0.438 554 F N 6.425 126.330 119.950 -0.077 0.000 2.396 554 F HA 0.484 5.004 4.527 -0.012 0.000 0.343 554 F C 0.334 176.017 175.800 -0.194 0.000 1.104 554 F CA -0.345 57.580 58.000 -0.126 0.000 1.161 554 F CB 0.894 39.832 39.000 -0.103 0.000 1.146 554 F HN 0.181 nan 8.300 nan 0.000 0.522 555 I N 3.297 123.820 120.570 -0.078 0.000 2.410 555 I HA 0.659 4.822 4.170 -0.011 0.000 0.286 555 I C -0.405 175.497 176.117 -0.359 0.000 1.009 555 I CA -0.493 60.659 61.300 -0.247 0.000 1.111 555 I CB 1.319 39.143 38.000 -0.293 0.000 1.262 555 I HN 0.684 nan 8.210 nan 0.000 0.443 556 A N 4.092 126.721 122.820 -0.317 0.000 2.515 556 A HA 0.957 5.270 4.320 -0.011 0.000 0.296 556 A C -0.428 177.013 177.584 -0.238 0.000 1.094 556 A CA -0.555 51.301 52.037 -0.301 0.000 0.718 556 A CB 2.046 20.916 19.000 -0.217 0.000 1.307 556 A HN 0.643 nan 8.150 nan 0.000 0.408 557 T N -1.776 112.675 114.554 -0.172 0.000 2.896 557 T HA 0.746 5.090 4.350 -0.011 0.000 0.297 557 T C 0.772 175.439 174.700 -0.057 0.000 1.108 557 T CA 0.497 62.554 62.100 -0.072 0.000 1.004 557 T CB 1.054 69.942 68.868 0.034 0.000 1.159 557 T HN 2.666 nan 8.240 nan 0.000 0.499 558 G N 2.192 110.981 108.800 -0.017 0.000 2.614 558 G HA2 -0.359 3.594 3.960 -0.011 0.000 0.303 558 G HA3 -0.359 3.594 3.960 -0.011 0.000 0.303 558 G C 1.275 176.144 174.900 -0.052 0.000 1.270 558 G CA 1.659 46.753 45.100 -0.009 0.000 0.988 558 G HN 2.133 nan 8.290 nan 0.000 0.551 559 S N -0.148 115.513 115.700 -0.065 0.000 2.500 559 S HA 0.006 4.469 4.470 -0.011 0.000 0.239 559 S C 1.648 176.131 174.600 -0.196 0.000 0.989 559 S CA 2.146 60.275 58.200 -0.119 0.000 0.951 559 S CB 0.027 63.164 63.200 -0.104 0.000 0.759 559 S HN 0.622 nan 8.310 nan 0.000 0.523 560 E N 0.729 120.823 120.200 -0.176 0.000 2.474 560 E HA 0.232 4.576 4.350 -0.011 0.000 0.194 560 E C 1.699 178.197 176.600 -0.170 0.000 1.041 560 E CA 0.018 56.305 56.400 -0.189 0.000 0.874 560 E CB -0.164 29.448 29.700 -0.147 0.000 0.914 560 E HN 0.369 nan 8.360 nan 0.000 0.498 561 V N 0.883 120.705 119.914 -0.153 0.000 2.343 561 V HA -0.286 3.827 4.120 -0.011 0.000 0.247 561 V C 2.300 178.296 176.094 -0.163 0.000 1.051 561 V CA 2.078 64.283 62.300 -0.158 0.000 1.036 561 V CB -0.295 31.450 31.823 -0.130 0.000 0.654 561 V HN 0.350 nan 8.190 nan 0.000 0.451 562 E N -0.146 119.965 120.200 -0.148 0.000 2.085 562 E HA -0.273 4.070 4.350 -0.011 0.000 0.194 562 E C 2.185 178.691 176.600 -0.157 0.000 0.994 562 E CA 1.623 57.940 56.400 -0.138 0.000 0.801 562 E CB -0.133 29.490 29.700 -0.128 0.000 0.743 562 E HN 0.460 nan 8.360 nan 0.000 0.453 563 L N 0.851 121.967 121.223 -0.178 0.000 2.017 563 L HA -0.108 4.225 4.340 -0.011 0.000 0.208 563 L C 2.251 178.977 176.870 -0.240 0.000 1.073 563 L CA 2.316 57.050 54.840 -0.177 0.000 0.745 563 L CB -0.815 41.155 42.059 -0.148 0.000 0.894 563 L HN 0.138 nan 8.230 nan 0.000 0.432 564 A N -0.998 121.652 122.820 -0.283 0.000 1.908 564 A HA -0.152 4.161 4.320 -0.011 0.000 0.218 564 A C 2.272 179.592 177.584 -0.440 0.000 1.181 564 A CA 2.036 53.792 52.037 -0.470 0.000 0.627 564 A CB -1.173 17.620 19.000 -0.344 0.000 0.818 564 A HN 0.337 nan 8.150 nan 0.000 0.445 565 V N -0.185 119.576 119.914 -0.254 0.000 2.343 565 V HA -0.258 3.855 4.120 -0.011 0.000 0.247 565 V C 3.045 179.106 176.094 -0.055 0.000 1.051 565 V CA 1.935 64.145 62.300 -0.150 0.000 1.036 565 V CB -1.217 30.525 31.823 -0.134 0.000 0.654 565 V HN 0.627 nan 8.190 nan 0.000 0.451 566 A N -0.024 122.728 122.820 -0.113 0.000 1.902 566 A HA -0.115 4.198 4.320 -0.011 0.000 0.217 566 A C 2.434 179.954 177.584 -0.105 0.000 1.181 566 A CA 2.083 54.070 52.037 -0.083 0.000 0.623 566 A CB -0.775 18.169 19.000 -0.094 0.000 0.818 566 A HN 0.568 nan 8.150 nan 0.000 0.443 567 A N -1.241 121.445 122.820 -0.223 0.000 1.902 567 A HA -0.124 4.189 4.320 -0.011 0.000 0.217 567 A C 2.140 179.639 177.584 -0.142 0.000 1.181 567 A CA 1.694 53.576 52.037 -0.259 0.000 0.623 567 A CB -0.913 17.761 19.000 -0.545 0.000 0.818 567 A HN 0.846 nan 8.150 nan 0.000 0.443 568 Y N 0.932 121.044 120.300 -0.313 0.000 2.165 568 Y HA -0.230 4.313 4.550 -0.011 0.000 0.286 568 Y C 2.215 178.111 175.900 -0.007 0.000 1.155 568 Y CA 2.236 60.319 58.100 -0.028 0.000 1.164 568 Y CB -0.098 38.342 38.460 -0.034 0.000 0.978 568 Y HN 0.338 nan 8.280 nan 0.000 0.513 569 E N 0.687 120.883 120.200 -0.008 0.000 2.072 569 E HA -0.212 4.131 4.350 -0.011 0.000 0.191 569 E C 2.122 178.642 176.600 -0.134 0.000 0.985 569 E CA 1.373 57.710 56.400 -0.105 0.000 0.801 569 E CB -0.313 29.401 29.700 0.023 0.000 0.750 569 E HN 0.522 nan 8.360 nan 0.000 0.452 570 K N 0.701 121.051 120.400 -0.083 0.000 2.026 570 K HA -0.071 4.242 4.320 -0.011 0.000 0.208 570 K C 2.305 178.863 176.600 -0.070 0.000 1.048 570 K CA 0.768 57.017 56.287 -0.063 0.000 0.929 570 K CB -0.071 32.405 32.500 -0.040 0.000 0.713 570 K HN 0.003 nan 8.250 nan 0.000 0.439 571 L N 0.063 121.249 121.223 -0.062 0.000 2.109 571 L HA -0.132 4.201 4.340 -0.011 0.000 0.207 571 L C 2.322 179.120 176.870 -0.119 0.000 1.086 571 L CA 1.232 56.043 54.840 -0.048 0.000 0.760 571 L CB -0.455 41.630 42.059 0.043 0.000 0.910 571 L HN 0.231 nan 8.230 nan 0.000 0.437 572 T N -0.014 114.390 114.554 -0.250 0.000 2.720 572 T HA -0.209 4.134 4.350 -0.011 0.000 0.268 572 T C 2.001 176.603 174.700 -0.162 0.000 1.037 572 T CA 1.407 63.333 62.100 -0.290 0.000 1.144 572 T CB -0.249 68.280 68.868 -0.566 0.000 0.864 572 T HN 0.451 nan 8.240 nan 0.000 0.444 573 A N 1.439 124.178 122.820 -0.134 0.000 1.972 573 A HA -0.106 4.207 4.320 -0.011 0.000 0.219 573 A C 2.109 179.657 177.584 -0.060 0.000 1.169 573 A CA 1.318 53.306 52.037 -0.081 0.000 0.635 573 A CB -0.429 18.532 19.000 -0.065 0.000 0.810 573 A HN 0.564 nan 8.150 nan 0.000 0.446 574 E N -1.688 118.476 120.200 -0.060 0.000 2.427 574 E HA 0.162 4.505 4.350 -0.011 0.000 0.196 574 E C 1.132 177.706 176.600 -0.042 0.000 1.028 574 E CA 0.368 56.742 56.400 -0.043 0.000 0.864 574 E CB -0.117 29.562 29.700 -0.035 0.000 0.813 574 E HN 0.772 nan 8.360 nan 0.000 0.514 575 G N 0.949 109.717 108.800 -0.054 0.000 2.134 575 G HA2 -0.229 3.724 3.960 -0.011 0.000 0.209 575 G HA3 -0.229 3.724 3.960 -0.011 0.000 0.209 575 G C 0.222 175.095 174.900 -0.045 0.000 0.993 575 G CA 0.004 45.076 45.100 -0.047 0.000 0.669 575 G HN 0.118 nan 8.290 nan 0.000 0.519 576 V N 0.863 120.744 119.914 -0.055 0.000 2.614 576 V HA 0.269 4.382 4.120 -0.011 0.000 0.291 576 V C 1.010 177.074 176.094 -0.051 0.000 1.049 576 V CA -0.014 62.257 62.300 -0.048 0.000 1.038 576 V CB 1.374 33.172 31.823 -0.042 0.000 0.980 576 V HN 0.305 nan 8.190 nan 0.000 0.481 577 K N 4.205 124.587 120.400 -0.031 0.000 2.127 577 K HA 0.509 4.822 4.320 -0.011 0.000 0.261 577 K C 0.063 176.668 176.600 0.008 0.000 1.129 577 K CA 0.066 56.347 56.287 -0.010 0.000 0.993 577 K CB 0.422 32.919 32.500 -0.005 0.000 1.410 577 K HN 0.802 nan 8.250 nan 0.000 0.380 578 A N 3.143 125.984 122.820 0.036 0.000 2.311 578 A HA 0.636 4.949 4.320 -0.011 0.000 0.334 578 A C -0.503 177.271 177.584 0.317 0.000 1.139 578 A CA -0.769 51.347 52.037 0.132 0.000 0.830 578 A CB 1.034 20.129 19.000 0.158 0.000 1.234 578 A HN 0.720 nan 8.150 nan 0.000 0.483 579 R N 0.723 121.387 120.500 0.273 0.000 2.725 579 R HA 0.652 4.985 4.340 -0.011 0.000 0.277 579 R C -2.194 174.193 176.300 0.145 0.000 0.987 579 R CA -0.432 55.774 56.100 0.176 0.000 0.901 579 R CB 2.040 32.368 30.300 0.048 0.000 1.207 579 R HN 0.497 nan 8.270 nan 0.000 0.463 580 V N 3.989 123.858 119.914 -0.075 0.000 2.409 580 V HA 0.385 4.498 4.120 -0.011 0.000 0.291 580 V C -0.461 175.515 176.094 -0.196 0.000 1.020 580 V CA -0.794 61.441 62.300 -0.108 0.000 0.848 580 V CB 1.737 33.404 31.823 -0.260 0.000 0.990 580 V HN 0.509 nan 8.190 nan 0.000 0.430 581 V N 3.842 123.637 119.914 -0.198 0.000 2.370 581 V HA 0.382 4.495 4.120 -0.011 0.000 0.279 581 V C 0.463 176.326 176.094 -0.385 0.000 1.029 581 V CA -0.135 61.980 62.300 -0.308 0.000 0.870 581 V CB 1.832 33.483 31.823 -0.286 0.000 0.984 581 V HN 0.885 nan 8.190 nan 0.000 0.451 582 S N 5.767 121.118 115.700 -0.582 0.000 2.475 582 S HA 0.545 5.008 4.470 -0.011 0.000 0.281 582 S C -0.204 174.135 174.600 -0.435 0.000 1.198 582 S CA -0.520 57.369 58.200 -0.519 0.000 1.063 582 S CB 0.316 63.141 63.200 -0.625 0.000 0.972 582 S HN 0.757 nan 8.310 nan 0.000 0.486 583 M N 8.657 128.096 119.600 -0.269 0.000 2.634 583 M HA 0.362 4.835 4.480 -0.011 0.000 0.211 583 M C -1.902 174.329 176.300 -0.116 0.000 1.019 583 M CA -2.182 52.984 55.300 -0.223 0.000 0.834 583 M CB 1.230 33.656 32.600 -0.290 0.000 1.376 583 M HN 0.464 nan 8.290 nan 0.000 0.465 584 P HA -0.061 nan 4.420 nan 0.000 0.218 584 P C 0.159 177.274 177.300 -0.308 0.000 1.149 584 P CA 0.935 64.024 63.100 -0.020 0.000 0.817 584 P CB 0.264 32.102 31.700 0.231 0.000 0.785 585 S N -1.003 114.342 115.700 -0.592 0.000 2.776 585 S HA 0.315 4.778 4.470 -0.011 0.000 0.284 585 S C 1.036 175.382 174.600 -0.423 0.000 1.160 585 S CA -0.289 57.386 58.200 -0.874 0.000 1.051 585 S CB 0.469 62.380 63.200 -2.148 0.000 1.037 585 S HN 0.106 nan 8.310 nan 0.000 0.485 586 T N 1.174 115.593 114.554 -0.225 0.000 2.788 586 T HA -0.160 4.184 4.350 -0.011 0.000 0.268 586 T C 1.429 176.189 174.700 0.099 0.000 1.044 586 T CA 1.668 63.780 62.100 0.021 0.000 1.139 586 T CB -0.561 68.394 68.868 0.145 0.000 0.867 586 T HN 0.783 nan 8.240 nan 0.000 0.454 587 D N 2.298 122.673 120.400 -0.041 0.000 2.117 587 D HA -0.029 4.604 4.640 -0.011 0.000 0.198 587 D C 2.354 178.669 176.300 0.026 0.000 0.982 587 D CA 1.163 55.175 54.000 0.019 0.000 0.828 587 D CB -0.514 40.294 40.800 0.012 0.000 0.967 587 D HN 0.585 nan 8.370 nan 0.000 0.464 588 A N 0.587 123.342 122.820 -0.108 0.000 1.930 588 A HA -0.084 4.230 4.320 -0.011 0.000 0.217 588 A C 2.042 179.674 177.584 0.080 0.000 1.175 588 A CA 0.931 52.951 52.037 -0.028 0.000 0.627 588 A CB -1.112 17.744 19.000 -0.240 0.000 0.815 588 A HN 0.266 nan 8.150 nan 0.000 0.443 589 F N 1.389 121.314 119.950 -0.042 0.000 2.102 589 F HA -0.170 4.350 4.527 -0.012 0.000 0.298 589 F C 1.662 177.540 175.800 0.130 0.000 1.105 589 F CA 2.075 60.120 58.000 0.075 0.000 1.239 589 F CB -0.226 38.800 39.000 0.044 0.000 0.991 589 F HN 0.231 nan 8.300 nan 0.000 0.474 590 D N 0.321 120.807 120.400 0.142 0.000 2.218 590 D HA -0.156 4.477 4.640 -0.011 0.000 0.204 590 D C 1.960 178.248 176.300 -0.020 0.000 0.976 590 D CA 1.245 55.279 54.000 0.058 0.000 0.853 590 D CB -0.303 40.589 40.800 0.153 0.000 0.939 590 D HN 0.375 nan 8.370 nan 0.000 0.481 591 K N 0.165 120.572 120.400 0.013 0.000 2.486 591 K HA 0.014 4.327 4.320 -0.011 0.000 0.194 591 K C 0.693 177.288 176.600 -0.009 0.000 1.033 591 K CA 0.082 56.384 56.287 0.024 0.000 1.004 591 K CB 0.300 32.847 32.500 0.079 0.000 0.798 591 K HN 0.123 nan 8.250 nan 0.000 0.495 592 Q N 1.631 121.391 119.800 -0.067 0.000 2.417 592 Q HA 0.019 4.353 4.340 -0.011 0.000 0.241 592 Q C -0.228 175.748 176.000 -0.040 0.000 1.008 592 Q CA 0.365 56.128 55.803 -0.066 0.000 0.901 592 Q CB 0.350 29.045 28.738 -0.072 0.000 1.259 592 Q HN 0.217 nan 8.270 nan 0.000 0.489 593 D N 0.436 120.839 120.400 0.006 0.000 2.419 593 D HA -0.013 4.620 4.640 -0.011 0.000 0.236 593 D C 0.706 177.024 176.300 0.030 0.000 1.165 593 D CA 0.345 54.361 54.000 0.027 0.000 0.882 593 D CB 0.662 41.494 40.800 0.053 0.000 1.201 593 D HN 0.622 nan 8.370 nan 0.000 0.443 594 A N 1.777 124.607 122.820 0.017 0.000 1.972 594 A HA -0.069 4.244 4.320 -0.011 0.000 0.219 594 A C 2.127 179.727 177.584 0.027 0.000 1.169 594 A CA 1.818 53.860 52.037 0.009 0.000 0.635 594 A CB -0.491 18.515 19.000 0.010 0.000 0.810 594 A HN 0.660 nan 8.150 nan 0.000 0.446 595 A N -1.384 121.467 122.820 0.051 0.000 1.898 595 A HA -0.097 4.216 4.320 -0.011 0.000 0.216 595 A C 2.121 179.748 177.584 0.073 0.000 1.181 595 A CA 1.600 53.672 52.037 0.058 0.000 0.620 595 A CB -0.784 18.256 19.000 0.066 0.000 0.819 595 A HN 0.691 nan 8.150 nan 0.000 0.442 596 Y N 0.591 120.894 120.300 0.005 0.000 2.145 596 Y HA -0.203 4.340 4.550 -0.012 0.000 0.286 596 Y C 2.537 178.458 175.900 0.036 0.000 1.145 596 Y CA 2.086 60.200 58.100 0.024 0.000 1.148 596 Y CB -0.278 38.187 38.460 0.009 0.000 0.981 596 Y HN 0.245 nan 8.280 nan 0.000 0.507 597 R N -0.234 120.232 120.500 -0.057 0.000 2.081 597 R HA -0.211 4.123 4.340 -0.011 0.000 0.235 597 R C 2.160 178.478 176.300 0.031 0.000 1.131 597 R CA 1.624 57.654 56.100 -0.116 0.000 0.960 597 R CB -0.375 29.782 30.300 -0.239 0.000 0.856 597 R HN 0.324 nan 8.270 nan 0.000 0.436 598 E N 0.965 121.165 120.200 0.002 0.000 2.110 598 E HA -0.159 4.184 4.350 -0.011 0.000 0.193 598 E C 1.817 178.407 176.600 -0.017 0.000 0.988 598 E CA 1.869 58.277 56.400 0.014 0.000 0.804 598 E CB -0.080 29.629 29.700 0.015 0.000 0.745 598 E HN 0.282 nan 8.360 nan 0.000 0.458 599 S N -1.062 114.592 115.700 -0.077 0.000 2.419 599 S HA -0.098 4.365 4.470 -0.011 0.000 0.233 599 S C 1.927 176.458 174.600 -0.115 0.000 1.016 599 S CA 1.204 59.344 58.200 -0.100 0.000 0.974 599 S CB -0.262 62.860 63.200 -0.130 0.000 0.786 599 S HN 0.138 nan 8.310 nan 0.000 0.492 600 V N 0.722 120.556 119.914 -0.133 0.000 2.492 600 V HA 0.343 4.456 4.120 -0.011 0.000 0.241 600 V C 0.950 177.034 176.094 -0.018 0.000 1.041 600 V CA 0.729 62.981 62.300 -0.080 0.000 1.057 600 V CB -0.375 31.432 31.823 -0.027 0.000 0.711 600 V HN 0.438 nan 8.190 nan 0.000 0.468 601 L N 3.223 124.489 121.223 0.071 0.000 2.502 601 L HA 0.382 4.715 4.340 -0.011 0.000 0.247 601 L C -2.556 174.357 176.870 0.071 0.000 1.180 601 L CA -1.548 53.336 54.840 0.073 0.000 0.956 601 L CB 1.172 43.320 42.059 0.149 0.000 1.282 601 L HN 0.172 nan 8.230 nan 0.000 0.470 602 P HA -0.003 nan 4.420 nan 0.000 0.264 602 P C 0.475 177.793 177.300 0.031 0.000 1.193 602 P CA -0.164 62.952 63.100 0.026 0.000 0.763 602 P CB 0.743 32.449 31.700 0.010 0.000 0.810 603 K N 2.816 123.237 120.400 0.034 0.000 2.152 603 K HA -0.152 4.161 4.320 -0.011 0.000 0.206 603 K C 1.567 178.179 176.600 0.020 0.000 1.048 603 K CA 1.638 57.944 56.287 0.032 0.000 0.933 603 K CB -0.795 31.723 32.500 0.029 0.000 0.721 603 K HN 0.321 nan 8.250 nan 0.000 0.447 604 A N 1.540 124.368 122.820 0.013 0.000 2.119 604 A HA 0.098 4.412 4.320 -0.011 0.000 0.217 604 A C 0.869 178.454 177.584 0.001 0.000 1.153 604 A CA 0.322 52.363 52.037 0.006 0.000 0.692 604 A CB 0.040 19.042 19.000 0.004 0.000 0.799 604 A HN 0.121 nan 8.150 nan 0.000 0.458 605 V N 1.746 121.660 119.914 -0.000 0.000 2.320 605 V HA 0.169 4.282 4.120 -0.011 0.000 0.265 605 V C 1.398 177.485 176.094 -0.012 0.000 1.048 605 V CA 0.549 62.842 62.300 -0.012 0.000 0.865 605 V CB 0.377 32.188 31.823 -0.019 0.000 1.043 605 V HN 0.604 nan 8.190 nan 0.000 0.474 606 T N 0.995 115.539 114.554 -0.016 0.000 3.037 606 T HA 0.192 4.536 4.350 -0.011 0.000 0.251 606 T C 0.990 175.671 174.700 -0.031 0.000 1.079 606 T CA 0.557 62.650 62.100 -0.012 0.000 1.067 606 T CB 0.284 69.149 68.868 -0.005 0.000 0.948 606 T HN 0.643 nan 8.240 nan 0.000 0.496 607 A N 2.227 125.014 122.820 -0.054 0.000 2.915 607 A HA 0.551 4.865 4.320 -0.011 0.000 0.292 607 A C 0.175 177.679 177.584 -0.133 0.000 1.632 607 A CA -0.682 51.302 52.037 -0.088 0.000 1.337 607 A CB -0.464 18.479 19.000 -0.095 0.000 1.111 607 A HN 0.504 nan 8.150 nan 0.000 0.569 608 R N 0.833 121.265 120.500 -0.114 0.000 2.494 608 R HA 0.581 4.915 4.340 -0.011 0.000 0.305 608 R C -1.378 174.832 176.300 -0.150 0.000 0.959 608 R CA -0.620 55.400 56.100 -0.133 0.000 0.864 608 R CB 2.425 32.692 30.300 -0.054 0.000 1.159 608 R HN 0.288 nan 8.270 nan 0.000 0.446 609 V N 2.423 122.211 119.914 -0.210 0.000 2.376 609 V HA 0.469 4.582 4.120 -0.011 0.000 0.287 609 V C -0.047 175.985 176.094 -0.104 0.000 1.015 609 V CA -0.890 61.323 62.300 -0.144 0.000 0.834 609 V CB 1.505 33.239 31.823 -0.149 0.000 1.001 609 V HN 0.925 nan 8.190 nan 0.000 0.428 610 A N 4.907 127.624 122.820 -0.173 0.000 2.327 610 A HA 0.800 5.114 4.320 -0.011 0.000 0.283 610 A C -0.446 176.938 177.584 -0.333 0.000 1.127 610 A CA -0.363 51.438 52.037 -0.393 0.000 0.810 610 A CB 0.935 19.588 19.000 -0.578 0.000 1.066 610 A HN 0.793 nan 8.150 nan 0.000 0.492 611 V N 2.529 122.212 119.914 -0.384 0.000 2.447 611 V HA 0.628 4.741 4.120 -0.011 0.000 0.292 611 V C -0.399 175.574 176.094 -0.201 0.000 1.021 611 V CA -0.342 61.857 62.300 -0.169 0.000 0.850 611 V CB 1.016 32.797 31.823 -0.069 0.000 1.005 611 V HN 1.041 nan 8.190 nan 0.000 0.426 612 E N 3.566 123.752 120.200 -0.023 0.000 2.388 612 E HA 0.624 4.968 4.350 -0.011 0.000 0.289 612 E C -0.643 176.031 176.600 0.123 0.000 0.944 612 E CA -0.656 55.746 56.400 0.003 0.000 0.792 612 E CB 2.009 31.725 29.700 0.028 0.000 1.239 612 E HN 0.784 nan 8.360 nan 0.000 0.412 613 A N 3.312 126.037 122.820 -0.158 0.000 3.077 613 A HA 0.573 4.886 4.320 -0.011 0.000 0.255 613 A C 0.247 177.803 177.584 -0.046 0.000 1.728 613 A CA 0.743 52.587 52.037 -0.322 0.000 1.383 613 A CB -0.591 18.084 19.000 -0.543 0.000 1.097 613 A HN 0.542 nan 8.150 nan 0.000 0.634 614 G N -0.562 108.303 108.800 0.108 0.000 2.687 614 G HA2 0.478 4.431 3.960 -0.011 0.000 0.291 614 G HA3 0.478 4.431 3.960 -0.011 0.000 0.291 614 G C -0.836 174.164 174.900 0.167 0.000 1.420 614 G CA -0.799 44.363 45.100 0.104 0.000 0.796 614 G HN 0.306 nan 8.290 nan 0.000 0.485 615 I N 1.381 122.023 120.570 0.120 0.000 2.752 615 I HA 0.333 4.496 4.170 -0.011 0.000 0.289 615 I C 1.753 178.011 176.117 0.235 0.000 1.197 615 I CA 0.658 62.031 61.300 0.120 0.000 1.432 615 I CB 1.256 39.291 38.000 0.059 0.000 1.359 615 I HN 0.693 nan 8.210 nan 0.000 0.571 616 A N 5.032 127.977 122.820 0.207 0.000 1.933 616 A HA -0.146 4.167 4.320 -0.011 0.000 0.218 616 A C 1.817 179.557 177.584 0.260 0.000 1.175 616 A CA 1.582 53.766 52.037 0.245 0.000 0.628 616 A CB -0.570 18.513 19.000 0.138 0.000 0.814 616 A HN 0.813 nan 8.150 nan 0.000 0.444 617 D N -1.672 118.879 120.400 0.251 0.000 2.221 617 D HA -0.172 4.462 4.640 -0.011 0.000 0.204 617 D C 1.484 177.942 176.300 0.264 0.000 0.982 617 D CA 1.237 55.436 54.000 0.331 0.000 0.857 617 D CB -0.379 40.546 40.800 0.208 0.000 0.934 617 D HN 0.648 nan 8.370 nan 0.000 0.475 618 Y N -0.558 119.769 120.300 0.045 0.000 2.207 618 Y HA -0.216 4.327 4.550 -0.012 0.000 0.287 618 Y C 1.580 177.354 175.900 -0.208 0.000 1.156 618 Y CA 1.459 59.460 58.100 -0.164 0.000 1.182 618 Y CB -0.495 37.730 38.460 -0.393 0.000 0.979 618 Y HN -0.002 nan 8.280 nan 0.000 0.521 619 W N -1.482 119.805 121.300 -0.020 0.000 2.937 619 W HA -0.043 4.611 4.660 -0.011 0.000 0.245 619 W C 1.466 177.877 176.519 -0.179 0.000 1.306 619 W CA 0.357 57.660 57.345 -0.070 0.000 1.470 619 W CB -0.546 28.921 29.460 0.012 0.000 1.132 619 W HN 0.081 nan 8.180 nan 0.000 0.675 620 Y N 0.841 121.145 120.300 0.006 0.000 2.315 620 Y HA -0.280 4.263 4.550 -0.012 0.000 0.288 620 Y C 2.433 178.245 175.900 -0.146 0.000 1.154 620 Y CA 1.673 59.748 58.100 -0.041 0.000 1.229 620 Y CB -0.715 37.706 38.460 -0.064 0.000 0.980 620 Y HN -0.034 nan 8.280 nan 0.000 0.540 621 K N -0.480 119.787 120.400 -0.222 0.000 2.113 621 K HA -0.239 4.075 4.320 -0.011 0.000 0.208 621 K C 0.974 177.287 176.600 -0.478 0.000 1.047 621 K CA 2.002 58.006 56.287 -0.471 0.000 0.928 621 K CB -0.282 31.696 32.500 -0.871 0.000 0.716 621 K HN 0.370 nan 8.250 nan 0.000 0.446 622 Y N -1.195 119.113 120.300 0.014 0.000 2.498 622 Y HA 0.040 4.583 4.550 -0.011 0.000 0.259 622 Y C 1.718 177.665 175.900 0.077 0.000 1.086 622 Y CA 0.176 58.334 58.100 0.096 0.000 1.287 622 Y CB 0.752 39.333 38.460 0.202 0.000 1.146 622 Y HN -0.003 nan 8.280 nan 0.000 0.523 623 V N -3.419 116.602 119.914 0.179 0.000 3.644 623 V HA 0.610 4.723 4.120 -0.011 0.000 0.267 623 V C 1.250 177.388 176.094 0.074 0.000 1.277 623 V CA 0.373 62.725 62.300 0.088 0.000 1.096 623 V CB -0.427 31.406 31.823 0.017 0.000 0.828 623 V HN 0.378 nan 8.190 nan 0.000 0.446 624 G N 1.409 110.272 108.800 0.105 0.000 2.575 624 G HA2 -0.309 3.644 3.960 -0.011 0.000 0.267 624 G HA3 -0.309 3.644 3.960 -0.011 0.000 0.267 624 G C 0.271 175.290 174.900 0.198 0.000 1.264 624 G CA 0.458 45.632 45.100 0.124 0.000 0.935 624 G HN 0.585 nan 8.290 nan 0.000 0.568 625 L N 0.870 122.168 121.223 0.126 0.000 2.567 625 L HA 0.249 4.582 4.340 -0.011 0.000 0.225 625 L C 1.511 178.434 176.870 0.089 0.000 1.119 625 L CA 0.377 55.292 54.840 0.125 0.000 0.871 625 L CB -0.077 42.016 42.059 0.055 0.000 1.036 625 L HN 0.448 nan 8.230 nan 0.000 0.459 626 N N 0.073 118.809 118.700 0.060 0.000 2.351 626 N HA 0.203 4.937 4.740 -0.011 0.000 0.254 626 N C 0.419 175.934 175.510 0.009 0.000 1.241 626 N CA 0.139 53.206 53.050 0.029 0.000 0.883 626 N CB 1.624 40.120 38.487 0.015 0.000 1.202 626 N HN 0.208 nan 8.380 nan 0.000 0.512 627 G N -0.053 108.754 108.800 0.012 0.000 3.122 627 G HA2 0.815 4.768 3.960 -0.011 0.000 0.180 627 G HA3 0.815 4.768 3.960 -0.011 0.000 0.180 627 G C -1.255 173.621 174.900 -0.039 0.000 1.279 627 G CA -0.401 44.683 45.100 -0.027 0.000 0.987 627 G HN 0.177 nan 8.290 nan 0.000 0.589 628 A N -1.195 121.582 122.820 -0.071 0.000 2.572 628 A HA 0.763 5.077 4.320 -0.011 0.000 0.295 628 A C -1.478 176.044 177.584 -0.103 0.000 1.072 628 A CA -0.508 51.484 52.037 -0.074 0.000 0.691 628 A CB 1.322 20.288 19.000 -0.057 0.000 1.291 628 A HN 0.620 nan 8.150 nan 0.000 0.404 629 I N 1.187 121.694 120.570 -0.104 0.000 2.478 629 I HA 0.362 4.526 4.170 -0.011 0.000 0.287 629 I C -0.936 175.134 176.117 -0.077 0.000 1.042 629 I CA -0.831 60.404 61.300 -0.108 0.000 1.067 629 I CB 2.260 40.184 38.000 -0.126 0.000 1.233 629 I HN 0.278 nan 8.210 nan 0.000 0.431 630 V N 5.771 125.635 119.914 -0.082 0.000 2.270 630 V HA 0.698 4.811 4.120 -0.011 0.000 0.263 630 V C 0.578 176.654 176.094 -0.030 0.000 1.066 630 V CA -0.065 62.164 62.300 -0.118 0.000 0.857 630 V CB 0.356 32.103 31.823 -0.127 0.000 1.099 630 V HN 0.962 nan 8.190 nan 0.000 0.476 631 G N 4.119 112.917 108.800 -0.002 0.000 2.975 631 G HA2 0.680 4.634 3.960 -0.011 0.000 0.291 631 G HA3 0.680 4.634 3.960 -0.011 0.000 0.291 631 G C -1.061 173.972 174.900 0.222 0.000 1.334 631 G CA -0.887 44.351 45.100 0.229 0.000 0.843 631 G HN 0.230 nan 8.290 nan 0.000 0.548 632 M N 1.308 121.048 119.600 0.232 0.000 2.318 632 M HA 0.373 4.847 4.480 -0.011 0.000 0.347 632 M C 0.710 177.030 176.300 0.033 0.000 1.175 632 M CA -0.337 55.015 55.300 0.087 0.000 1.075 632 M CB 1.159 33.749 32.600 -0.017 0.000 1.614 632 M HN 0.705 nan 8.290 nan 0.000 0.456 633 T N -2.745 111.808 114.554 -0.002 0.000 3.111 633 T HA 0.241 4.584 4.350 -0.011 0.000 0.284 633 T C 0.365 175.015 174.700 -0.082 0.000 0.983 633 T CA -0.107 61.983 62.100 -0.016 0.000 0.900 633 T CB -0.102 68.781 68.868 0.026 0.000 1.132 633 T HN 0.747 nan 8.240 nan 0.000 0.531 634 T N -0.868 113.610 114.554 -0.127 0.000 2.812 634 T HA 0.739 5.082 4.350 -0.011 0.000 0.294 634 T C -0.748 173.797 174.700 -0.258 0.000 1.159 634 T CA -0.875 61.126 62.100 -0.164 0.000 1.008 634 T CB 0.897 69.803 68.868 0.063 0.000 1.289 634 T HN -0.030 nan 8.240 nan 0.000 0.514 635 F N 0.915 120.857 119.950 -0.013 0.000 2.485 635 F HA 0.535 5.054 4.527 -0.013 0.000 0.327 635 F C 1.766 177.520 175.800 -0.076 0.000 1.203 635 F CA 0.637 58.614 58.000 -0.038 0.000 1.295 635 F CB 0.015 39.023 39.000 0.014 0.000 1.191 635 F HN 0.990 nan 8.300 nan 0.000 0.588 636 G N -0.151 108.724 108.800 0.125 0.000 2.489 636 G HA2 0.455 4.408 3.960 -0.011 0.000 0.271 636 G HA3 0.455 4.408 3.960 -0.011 0.000 0.271 636 G C -0.797 174.253 174.900 0.249 0.000 1.427 636 G CA -0.370 44.759 45.100 0.048 0.000 1.057 636 G HN 0.463 nan 8.290 nan 0.000 0.532 637 E N -1.430 118.920 120.200 0.250 0.000 2.390 637 E HA 0.311 4.655 4.350 -0.011 0.000 0.277 637 E C -1.170 175.488 176.600 0.096 0.000 0.939 637 E CA -0.712 55.798 56.400 0.182 0.000 0.769 637 E CB 1.818 31.635 29.700 0.196 0.000 1.251 637 E HN 0.313 nan 8.360 nan 0.000 0.450 638 S N 0.658 116.389 115.700 0.052 0.000 2.405 638 S HA 0.623 5.086 4.470 -0.011 0.000 0.291 638 S C -0.676 173.931 174.600 0.011 0.000 1.137 638 S CA 0.164 58.374 58.200 0.016 0.000 1.061 638 S CB -0.483 62.718 63.200 0.003 0.000 1.001 638 S HN 0.562 nan 8.310 nan 0.000 0.507 639 A N 6.014 128.835 122.820 0.002 0.000 2.567 639 A HA 0.707 5.020 4.320 -0.011 0.000 0.291 639 A C -3.258 174.317 177.584 -0.014 0.000 1.048 639 A CA -1.352 50.683 52.037 -0.004 0.000 0.661 639 A CB 0.463 19.463 19.000 0.000 0.000 1.288 639 A HN 0.545 nan 8.150 nan 0.000 0.424 640 P HA 0.270 nan 4.420 nan 0.000 0.266 640 P C 1.059 178.350 177.300 -0.015 0.000 1.195 640 P CA 0.905 64.001 63.100 -0.007 0.000 0.768 640 P CB 0.789 32.493 31.700 0.007 0.000 0.838 641 A N 3.498 126.302 122.820 -0.026 0.000 1.903 641 A HA -0.287 4.026 4.320 -0.011 0.000 0.219 641 A C 2.146 179.753 177.584 0.039 0.000 1.191 641 A CA 2.151 54.146 52.037 -0.071 0.000 0.638 641 A CB -1.364 17.628 19.000 -0.012 0.000 0.823 641 A HN 0.675 nan 8.150 nan 0.000 0.451 642 E N -0.263 120.015 120.200 0.131 0.000 2.085 642 E HA -0.188 4.155 4.350 -0.011 0.000 0.194 642 E C 1.910 178.603 176.600 0.155 0.000 0.994 642 E CA 1.334 57.851 56.400 0.195 0.000 0.801 642 E CB -0.226 29.544 29.700 0.117 0.000 0.743 642 E HN 0.662 nan 8.360 nan 0.000 0.453 643 L N 0.451 121.720 121.223 0.077 0.000 2.156 643 L HA -0.134 4.199 4.340 -0.011 0.000 0.208 643 L C 2.531 179.426 176.870 0.042 0.000 1.095 643 L CA 0.505 55.374 54.840 0.048 0.000 0.770 643 L CB -0.286 41.782 42.059 0.015 0.000 0.914 643 L HN 0.235 nan 8.230 nan 0.000 0.439 644 L N -1.357 119.882 121.223 0.026 0.000 2.056 644 L HA -0.200 4.133 4.340 -0.011 0.000 0.207 644 L C 2.566 179.549 176.870 0.189 0.000 1.078 644 L CA 1.253 56.130 54.840 0.060 0.000 0.749 644 L CB -0.539 41.514 42.059 -0.010 0.000 0.901 644 L HN 0.111 nan 8.230 nan 0.000 0.433 645 F N 0.468 120.545 119.950 0.213 0.000 2.126 645 F HA -0.235 4.285 4.527 -0.010 0.000 0.299 645 F C 2.656 178.617 175.800 0.268 0.000 1.096 645 F CA 1.650 59.821 58.000 0.285 0.000 1.255 645 F CB -0.522 38.570 39.000 0.153 0.000 0.997 645 F HN 0.162 nan 8.300 nan 0.000 0.479 646 E N 0.258 120.644 120.200 0.310 0.000 2.031 646 E HA -0.288 4.056 4.350 -0.011 0.000 0.193 646 E C 2.184 178.828 176.600 0.073 0.000 0.994 646 E CA 1.411 57.906 56.400 0.159 0.000 0.800 646 E CB -0.131 29.623 29.700 0.091 0.000 0.752 646 E HN 0.327 nan 8.360 nan 0.000 0.447 647 E N -0.200 119.993 120.200 -0.012 0.000 2.118 647 E HA -0.187 4.156 4.350 -0.011 0.000 0.195 647 E C 1.208 177.641 176.600 -0.279 0.000 0.992 647 E CA 1.411 57.678 56.400 -0.220 0.000 0.804 647 E CB -0.271 29.180 29.700 -0.416 0.000 0.741 647 E HN 0.308 nan 8.360 nan 0.000 0.458 648 F N -0.903 119.113 119.950 0.110 0.000 2.732 648 F HA 0.357 4.877 4.527 -0.012 0.000 0.303 648 F C 1.561 177.287 175.800 -0.124 0.000 1.110 648 F CA 0.555 58.608 58.000 0.087 0.000 1.355 648 F CB 0.801 39.954 39.000 0.256 0.000 1.081 648 F HN 0.212 nan 8.300 nan 0.000 0.565 649 G N -0.365 108.445 108.800 0.016 0.000 2.141 649 G HA2 -0.297 3.656 3.960 -0.011 0.000 0.231 649 G HA3 -0.297 3.656 3.960 -0.011 0.000 0.231 649 G C 0.150 174.873 174.900 -0.295 0.000 0.984 649 G CA -0.545 44.454 45.100 -0.169 0.000 0.660 649 G HN 0.204 nan 8.290 nan 0.000 0.525 650 F N 2.859 122.904 119.950 0.157 0.000 2.640 650 F HA 0.482 5.002 4.527 -0.012 0.000 0.354 650 F C 1.267 177.085 175.800 0.030 0.000 1.213 650 F CA 0.512 58.573 58.000 0.102 0.000 1.314 650 F CB 0.210 39.336 39.000 0.209 0.000 1.679 650 F HN 0.255 nan 8.300 nan 0.000 0.622 651 T N -3.807 110.787 114.554 0.065 0.000 2.907 651 T HA 0.428 4.771 4.350 -0.011 0.000 0.292 651 T C 0.848 175.537 174.700 -0.017 0.000 1.043 651 T CA -0.766 61.350 62.100 0.027 0.000 1.003 651 T CB 1.746 70.625 68.868 0.019 0.000 1.084 651 T HN -0.090 nan 8.240 nan 0.000 0.483 652 V N 1.284 121.179 119.914 -0.031 0.000 2.287 652 V HA -0.150 3.964 4.120 -0.011 0.000 0.248 652 V C 2.399 178.471 176.094 -0.036 0.000 1.053 652 V CA 2.109 64.378 62.300 -0.052 0.000 1.027 652 V CB -0.808 30.982 31.823 -0.054 0.000 0.646 652 V HN 0.891 nan 8.190 nan 0.000 0.447 653 D N 0.097 120.483 120.400 -0.023 0.000 2.123 653 D HA -0.184 4.449 4.640 -0.011 0.000 0.196 653 D C 2.083 178.373 176.300 -0.017 0.000 0.992 653 D CA 1.764 55.754 54.000 -0.017 0.000 0.833 653 D CB -0.436 40.356 40.800 -0.014 0.000 0.954 653 D HN 0.485 nan 8.370 nan 0.000 0.455 654 N N -0.092 118.593 118.700 -0.026 0.000 2.171 654 N HA -0.107 4.626 4.740 -0.011 0.000 0.184 654 N C 1.670 177.164 175.510 -0.026 0.000 1.021 654 N CA 0.702 53.730 53.050 -0.036 0.000 0.854 654 N CB -0.041 38.407 38.487 -0.064 0.000 0.994 654 N HN -0.057 nan 8.380 nan 0.000 0.426 655 V N -0.139 119.760 119.914 -0.026 0.000 2.343 655 V HA -0.178 3.935 4.120 -0.011 0.000 0.247 655 V C 2.291 178.439 176.094 0.090 0.000 1.051 655 V CA 1.341 63.649 62.300 0.014 0.000 1.036 655 V CB -0.523 31.271 31.823 -0.048 0.000 0.654 655 V HN 0.175 nan 8.190 nan 0.000 0.451 656 V N 0.332 120.277 119.914 0.051 0.000 2.295 656 V HA -0.272 3.841 4.120 -0.011 0.000 0.246 656 V C 2.722 178.851 176.094 0.057 0.000 1.049 656 V CA 2.085 64.433 62.300 0.080 0.000 1.024 656 V CB -1.157 30.685 31.823 0.032 0.000 0.648 656 V HN 0.564 nan 8.190 nan 0.000 0.447 657 A N -0.328 122.507 122.820 0.024 0.000 1.908 657 A HA -0.207 4.106 4.320 -0.011 0.000 0.218 657 A C 2.274 179.863 177.584 0.009 0.000 1.181 657 A CA 1.690 53.733 52.037 0.010 0.000 0.627 657 A CB -0.408 18.590 19.000 -0.004 0.000 0.818 657 A HN 0.423 nan 8.150 nan 0.000 0.445 658 K N -0.055 120.353 120.400 0.013 0.000 2.097 658 K HA -0.013 4.300 4.320 -0.011 0.000 0.205 658 K C 2.245 178.846 176.600 0.001 0.000 1.050 658 K CA 1.282 57.571 56.287 0.003 0.000 0.938 658 K CB -0.839 31.659 32.500 -0.003 0.000 0.718 658 K HN 0.460 nan 8.250 nan 0.000 0.442 659 A N 1.949 124.789 122.820 0.033 0.000 1.902 659 A HA -0.174 4.139 4.320 -0.011 0.000 0.217 659 A C 2.095 179.661 177.584 -0.030 0.000 1.181 659 A CA 1.585 53.611 52.037 -0.019 0.000 0.623 659 A CB -0.326 18.705 19.000 0.052 0.000 0.818 659 A HN 0.262 nan 8.150 nan 0.000 0.443 660 K N -0.346 120.054 120.400 -0.001 0.000 2.147 660 K HA -0.143 4.170 4.320 -0.011 0.000 0.205 660 K C 1.876 178.466 176.600 -0.018 0.000 1.049 660 K CA 1.395 57.675 56.287 -0.010 0.000 0.936 660 K CB -0.159 32.341 32.500 -0.001 0.000 0.722 660 K HN 0.622 nan 8.250 nan 0.000 0.446 661 E N 0.845 121.035 120.200 -0.016 0.000 2.118 661 E HA -0.175 4.168 4.350 -0.011 0.000 0.195 661 E C 1.962 178.548 176.600 -0.024 0.000 0.992 661 E CA 0.922 57.311 56.400 -0.017 0.000 0.804 661 E CB -0.042 29.650 29.700 -0.014 0.000 0.741 661 E HN 0.263 nan 8.360 nan 0.000 0.458 662 L N 0.655 121.856 121.223 -0.036 0.000 2.156 662 L HA -0.051 4.282 4.340 -0.011 0.000 0.208 662 L C 1.344 178.188 176.870 -0.043 0.000 1.095 662 L CA 0.381 55.194 54.840 -0.044 0.000 0.770 662 L CB -0.204 41.813 42.059 -0.070 0.000 0.914 662 L HN 0.067 nan 8.230 nan 0.000 0.439 663 L N 0.000 121.196 121.223 -0.044 0.000 2.949 663 L HA 0.000 4.333 4.340 -0.011 0.000 0.249 663 L CA 0.000 54.816 54.840 -0.040 0.000 0.813 663 L CB 0.000 42.033 42.059 -0.044 0.000 0.961 663 L HN 0.000 nan 8.230 nan 0.000 0.502