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 2wvh_1_X DATA FIRST_RESID 2 DATA SEQUENCE SYTVGTYLAE RLVQIGLKHH FAVAGDYNLV LLDNLLLNKN MEQVYCCNEL DATA SEQUENCE NCGFSAEGYA RAKGAAAAVV TYSVGALSAF DAIGGAYAEN LPVILISGAP DATA SEQUENCE NNNDHAAGHV LHHALGKTDY HYQLEMAKNI TAAAEAIYTP EEAPAKIDHV DATA SEQUENCE IKTALREKKP VYLEIACNIA SMPCAAPGPA SALFNDEASD EASLNAAVEE DATA SEQUENCE TLKFIANRDK VAVLVGSKLR AAGAEEAAVK FADALGGAVA TMAAAKSFFP DATA SEQUENCE EENPHYIGTS WGEVSYPGVE KTMKEADAVI ALAPVFNDYS TTGWTDIPDP DATA SEQUENCE KKLVLAEPRS VVVNGIRFPS VHLKDYLTRL AQKVSKKTGA LDFFKSLNAG DATA SEQUENCE ELKKAAPADP SAPLVNAEIA RQVEALLTPN TTVIAETGDS WFNAQRMKLP DATA SEQUENCE NGARVEYEMQ WGHIGWSVPA AFGYAVGAPE RRNILMVGDG SFQLTAQEVA DATA SEQUENCE QMVRLKLPVI IFLINNYGYT IEVMIHDGPY NNIKNWDYAG LMEVFNGNGG DATA SEQUENCE YDSGAGKGLK AKTGGELAEA IKVALANTDG PTLIECFIGR EDCTEELVKW DATA SEQUENCE GKRVAAANSR KPVN 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 0.000 174.514 174.600 -0.143 0.000 1.055 2 S CA 0.000 58.185 58.200 -0.026 0.000 1.107 2 S CB 0.000 63.217 63.200 0.028 0.000 0.593 3 Y N 1.094 121.422 120.300 0.046 0.000 2.496 3 Y HA 0.748 5.297 4.550 -0.001 0.000 0.331 3 Y C 1.178 177.115 175.900 0.062 0.000 1.140 3 Y CA 0.089 58.229 58.100 0.066 0.000 1.166 3 Y CB 2.161 40.695 38.460 0.123 0.000 1.249 3 Y HN 1.025 nan 8.280 nan 0.000 0.479 4 T N -2.876 111.806 114.554 0.213 0.000 2.949 4 T HA 0.364 4.714 4.350 -0.001 0.000 0.287 4 T C 0.813 175.611 174.700 0.164 0.000 1.034 4 T CA -0.747 61.435 62.100 0.137 0.000 1.018 4 T CB 1.013 69.926 68.868 0.074 0.000 1.135 4 T HN 0.338 nan 8.240 nan 0.000 0.532 5 V N 1.497 121.460 119.914 0.081 0.000 2.282 5 V HA -0.098 4.022 4.120 -0.001 0.000 0.249 5 V C 2.872 179.020 176.094 0.091 0.000 1.057 5 V CA 2.660 64.988 62.300 0.046 0.000 1.032 5 V CB -1.501 30.321 31.823 -0.003 0.000 0.645 5 V HN 1.109 nan 8.190 nan 0.000 0.447 6 G N -0.127 108.719 108.800 0.075 0.000 2.402 6 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.216 6 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.216 6 G C 1.741 176.695 174.900 0.090 0.000 1.162 6 G CA 1.553 46.689 45.100 0.061 0.000 0.777 6 G HN 0.591 nan 8.290 nan 0.000 0.539 7 T N -2.739 111.898 114.554 0.137 0.000 3.023 7 T HA -0.048 4.302 4.350 -0.001 0.000 0.266 7 T C 2.061 176.953 174.700 0.319 0.000 1.093 7 T CA 1.004 63.208 62.100 0.174 0.000 1.129 7 T CB -0.332 68.597 68.868 0.102 0.000 0.899 7 T HN 0.256 nan 8.240 nan 0.000 0.491 8 Y N 1.759 122.179 120.300 0.202 0.000 2.114 8 Y HA 0.022 4.572 4.550 -0.001 0.000 0.284 8 Y C 2.183 178.074 175.900 -0.014 0.000 1.143 8 Y CA 1.225 59.353 58.100 0.047 0.000 1.135 8 Y CB -0.625 37.823 38.460 -0.020 0.000 0.980 8 Y HN 0.214 nan 8.280 nan 0.000 0.499 9 L N 0.662 122.028 121.223 0.238 0.000 2.012 9 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 9 L C 2.402 179.265 176.870 -0.012 0.000 1.073 9 L CA 2.278 57.176 54.840 0.096 0.000 0.748 9 L CB -1.410 40.671 42.059 0.038 0.000 0.891 9 L HN 0.271 nan 8.230 nan 0.000 0.431 10 A N -0.806 122.008 122.820 -0.010 0.000 1.877 10 A HA -0.254 4.065 4.320 -0.001 0.000 0.216 10 A C 2.260 179.824 177.584 -0.033 0.000 1.186 10 A CA 1.744 53.753 52.037 -0.047 0.000 0.620 10 A CB -0.773 18.215 19.000 -0.021 0.000 0.822 10 A HN 0.565 nan 8.150 nan 0.000 0.443 11 E N -0.066 120.123 120.200 -0.018 0.000 2.077 11 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 11 E C 2.172 178.700 176.600 -0.120 0.000 0.989 11 E CA 1.312 57.680 56.400 -0.053 0.000 0.800 11 E CB -0.174 29.484 29.700 -0.071 0.000 0.746 11 E HN 0.365 nan 8.360 nan 0.000 0.452 12 R N 0.132 120.523 120.500 -0.183 0.000 2.081 12 R HA -0.076 4.264 4.340 -0.001 0.000 0.235 12 R C 2.537 178.789 176.300 -0.080 0.000 1.131 12 R CA 1.175 57.182 56.100 -0.155 0.000 0.960 12 R CB -1.027 29.188 30.300 -0.141 0.000 0.856 12 R HN 0.344 nan 8.270 nan 0.000 0.436 13 L N 0.124 121.310 121.223 -0.061 0.000 2.046 13 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 13 L C 2.476 179.346 176.870 0.001 0.000 1.077 13 L CA 1.030 55.851 54.840 -0.031 0.000 0.747 13 L CB -0.599 41.429 42.059 -0.052 0.000 0.896 13 L HN -0.054 nan 8.230 nan 0.000 0.432 14 V N -0.410 119.499 119.914 -0.009 0.000 2.343 14 V HA -0.301 3.819 4.120 -0.001 0.000 0.247 14 V C 2.455 178.564 176.094 0.024 0.000 1.051 14 V CA 1.665 63.969 62.300 0.007 0.000 1.036 14 V CB -0.517 31.303 31.823 -0.005 0.000 0.654 14 V HN 0.506 nan 8.190 nan 0.000 0.451 15 Q N -0.214 119.593 119.800 0.012 0.000 2.170 15 Q HA -0.131 4.208 4.340 -0.001 0.000 0.203 15 Q C 2.098 178.191 176.000 0.154 0.000 0.976 15 Q CA 1.867 57.700 55.803 0.049 0.000 0.858 15 Q CB -0.234 28.506 28.738 0.004 0.000 0.907 15 Q HN 0.872 nan 8.270 nan 0.000 0.433 16 I N -4.331 116.312 120.570 0.121 0.000 3.684 16 I HA 0.291 4.461 4.170 -0.001 0.000 0.304 16 I C 0.945 177.215 176.117 0.254 0.000 1.278 16 I CA 0.780 62.221 61.300 0.236 0.000 1.272 16 I CB 0.126 38.128 38.000 0.004 0.000 1.029 16 I HN 0.178 nan 8.210 nan 0.000 0.458 17 G N 1.369 110.259 108.800 0.150 0.000 2.168 17 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.197 17 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.197 17 G C -0.247 174.725 174.900 0.120 0.000 0.997 17 G CA -0.379 44.787 45.100 0.110 0.000 0.658 17 G HN 0.213 nan 8.290 nan 0.000 0.513 18 L N 0.754 122.059 121.223 0.137 0.000 2.410 18 L HA 0.465 4.805 4.340 -0.001 0.000 0.273 18 L C 1.433 178.370 176.870 0.112 0.000 1.152 18 L CA 0.332 55.288 54.840 0.192 0.000 0.855 18 L CB 1.057 43.202 42.059 0.144 0.000 1.129 18 L HN 0.001 nan 8.230 nan 0.000 0.463 19 K N 1.975 122.473 120.400 0.164 0.000 2.355 19 K HA 0.241 4.561 4.320 -0.001 0.000 0.198 19 K C -0.341 175.958 176.600 -0.501 0.000 1.039 19 K CA 0.128 56.348 56.287 -0.111 0.000 1.075 19 K CB 0.336 32.788 32.500 -0.079 0.000 0.870 19 K HN 0.610 nan 8.250 nan 0.000 0.540 20 H N -0.441 118.547 119.070 -0.137 0.000 3.012 20 H HA 0.340 4.895 4.556 -0.001 0.000 0.367 20 H C -0.435 174.560 175.328 -0.555 0.000 1.211 20 H CA -0.954 54.804 56.048 -0.483 0.000 1.139 20 H CB 1.345 30.657 29.762 -0.750 0.000 1.838 20 H HN 0.047 nan 8.280 nan 0.000 0.550 21 H N 0.380 119.164 119.070 -0.476 0.000 2.821 21 H HA 0.471 5.026 4.556 -0.001 0.000 0.373 21 H C -1.533 173.474 175.328 -0.535 0.000 1.165 21 H CA -0.930 54.881 56.048 -0.396 0.000 1.154 21 H CB 1.265 30.925 29.762 -0.169 0.000 1.765 21 H HN 0.348 nan 8.280 nan 0.000 0.549 22 F N 0.749 120.642 119.950 -0.095 0.000 2.422 22 F HA 0.682 5.209 4.527 -0.001 0.000 0.333 22 F C 0.313 176.126 175.800 0.021 0.000 1.095 22 F CA -0.377 57.569 58.000 -0.089 0.000 1.038 22 F CB 2.070 41.045 39.000 -0.040 0.000 1.156 22 F HN 0.853 nan 8.300 nan 0.000 0.483 23 A N 1.528 124.457 122.820 0.182 0.000 2.549 23 A HA 0.813 5.133 4.320 -0.001 0.000 0.297 23 A C -1.920 175.820 177.584 0.260 0.000 1.061 23 A CA -0.705 51.461 52.037 0.215 0.000 0.690 23 A CB 1.580 20.717 19.000 0.228 0.000 1.287 23 A HN 0.495 nan 8.150 nan 0.000 0.402 24 V N 1.717 121.745 119.914 0.191 0.000 2.443 24 V HA 0.627 4.746 4.120 -0.001 0.000 0.293 24 V C 0.678 176.835 176.094 0.105 0.000 1.021 24 V CA -0.316 62.069 62.300 0.143 0.000 0.848 24 V CB 1.175 33.048 31.823 0.083 0.000 0.998 24 V HN 1.462 nan 8.190 nan 0.000 0.424 25 A N 3.662 126.529 122.820 0.078 0.000 2.483 25 A HA 0.765 5.084 4.320 -0.001 0.000 0.238 25 A C 0.649 178.247 177.584 0.023 0.000 1.070 25 A CA 0.704 52.766 52.037 0.043 0.000 0.770 25 A CB 0.364 19.353 19.000 -0.018 0.000 1.008 25 A HN 1.374 nan 8.150 nan 0.000 0.497 26 G N 0.270 109.088 108.800 0.030 0.000 2.677 26 G HA2 0.461 4.421 3.960 -0.001 0.000 0.291 26 G HA3 0.461 4.421 3.960 -0.001 0.000 0.291 26 G C -0.065 174.848 174.900 0.021 0.000 1.435 26 G CA 0.211 45.321 45.100 0.016 0.000 0.826 26 G HN 0.684 nan 8.290 nan 0.000 0.491 27 D N -0.927 119.464 120.400 -0.015 0.000 2.351 27 D HA -0.122 4.518 4.640 -0.001 0.000 0.216 27 D C 0.827 177.049 176.300 -0.130 0.000 0.968 27 D CA 1.020 54.964 54.000 -0.093 0.000 0.899 27 D CB -0.033 40.675 40.800 -0.154 0.000 0.907 27 D HN 0.334 nan 8.370 nan 0.000 0.514 28 Y N 0.533 120.890 120.300 0.095 0.000 2.466 28 Y HA 0.128 4.677 4.550 -0.001 0.000 0.272 28 Y C 1.171 177.104 175.900 0.054 0.000 1.169 28 Y CA 0.344 58.490 58.100 0.075 0.000 1.285 28 Y CB -0.068 38.454 38.460 0.103 0.000 1.078 28 Y HN 0.159 nan 8.280 nan 0.000 0.523 29 N N -1.587 117.212 118.700 0.164 0.000 2.118 29 N HA 0.041 4.780 4.740 -0.001 0.000 0.226 29 N C 0.857 176.417 175.510 0.083 0.000 1.305 29 N CA 0.141 53.261 53.050 0.116 0.000 0.890 29 N CB -0.842 37.711 38.487 0.109 0.000 1.118 29 N HN 0.232 nan 8.380 nan 0.000 0.511 30 L N 0.020 121.281 121.223 0.064 0.000 2.012 30 L HA -0.082 4.257 4.340 -0.001 0.000 0.210 30 L C 1.908 178.806 176.870 0.047 0.000 1.073 30 L CA 1.214 56.082 54.840 0.046 0.000 0.748 30 L CB -0.462 41.609 42.059 0.020 0.000 0.891 30 L HN 0.023 nan 8.230 nan 0.000 0.431 31 V N -0.146 119.796 119.914 0.046 0.000 2.358 31 V HA -0.268 3.852 4.120 -0.001 0.000 0.246 31 V C 2.401 178.521 176.094 0.043 0.000 1.047 31 V CA 1.453 63.776 62.300 0.040 0.000 1.035 31 V CB -0.403 31.443 31.823 0.038 0.000 0.658 31 V HN 0.309 nan 8.190 nan 0.000 0.452 32 L N -0.126 121.126 121.223 0.048 0.000 2.012 32 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 32 L C 2.212 179.109 176.870 0.045 0.000 1.073 32 L CA 1.964 56.828 54.840 0.039 0.000 0.748 32 L CB -0.624 41.457 42.059 0.037 0.000 0.891 32 L HN 0.207 nan 8.230 nan 0.000 0.431 33 L N -0.794 120.472 121.223 0.071 0.000 2.046 33 L HA -0.227 4.112 4.340 -0.001 0.000 0.208 33 L C 2.313 179.241 176.870 0.096 0.000 1.077 33 L CA 1.389 56.294 54.840 0.108 0.000 0.747 33 L CB -0.934 41.210 42.059 0.142 0.000 0.896 33 L HN 0.314 nan 8.230 nan 0.000 0.432 34 D N 0.039 120.480 120.400 0.068 0.000 2.104 34 D HA -0.188 4.452 4.640 -0.001 0.000 0.194 34 D C 1.961 178.286 176.300 0.043 0.000 0.994 34 D CA 1.137 55.169 54.000 0.052 0.000 0.830 34 D CB -0.322 40.499 40.800 0.035 0.000 0.959 34 D HN 0.344 nan 8.370 nan 0.000 0.452 35 N N 0.357 119.078 118.700 0.036 0.000 2.188 35 N HA -0.072 4.667 4.740 -0.001 0.000 0.184 35 N C 2.139 177.662 175.510 0.022 0.000 1.018 35 N CA 0.451 53.516 53.050 0.026 0.000 0.858 35 N CB -0.064 38.441 38.487 0.029 0.000 0.989 35 N HN 0.217 nan 8.380 nan 0.000 0.426 36 L N 1.101 122.334 121.223 0.017 0.000 2.083 36 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 36 L C 2.294 179.202 176.870 0.063 0.000 1.083 36 L CA 0.704 55.540 54.840 -0.008 0.000 0.752 36 L CB -0.375 41.624 42.059 -0.100 0.000 0.899 36 L HN 0.135 nan 8.230 nan 0.000 0.433 37 L N -0.510 120.763 121.223 0.083 0.000 2.191 37 L HA -0.212 4.127 4.340 -0.001 0.000 0.212 37 L C 2.399 179.289 176.870 0.034 0.000 1.103 37 L CA 0.855 55.739 54.840 0.072 0.000 0.769 37 L CB -0.305 41.798 42.059 0.073 0.000 0.908 37 L HN 0.305 nan 8.230 nan 0.000 0.438 38 L N -0.701 120.534 121.223 0.021 0.000 2.191 38 L HA -0.154 4.185 4.340 -0.001 0.000 0.212 38 L C 1.194 178.059 176.870 -0.009 0.000 1.103 38 L CA 0.453 55.292 54.840 -0.001 0.000 0.769 38 L CB -0.489 41.562 42.059 -0.014 0.000 0.908 38 L HN 0.307 nan 8.230 nan 0.000 0.438 39 N N 0.994 119.695 118.700 0.002 0.000 2.406 39 N HA 0.001 4.741 4.740 -0.001 0.000 0.251 39 N C 0.459 175.965 175.510 -0.008 0.000 1.069 39 N CA 0.080 53.128 53.050 -0.003 0.000 0.947 39 N CB 0.979 39.469 38.487 0.006 0.000 1.111 39 N HN -0.010 nan 8.380 nan 0.000 0.497 40 K N 2.240 122.629 120.400 -0.019 0.000 2.444 40 K HA 0.117 4.437 4.320 -0.001 0.000 0.193 40 K C 0.307 176.880 176.600 -0.045 0.000 1.024 40 K CA 0.080 56.348 56.287 -0.030 0.000 1.077 40 K CB 0.252 32.735 32.500 -0.027 0.000 0.833 40 K HN 0.498 nan 8.250 nan 0.000 0.517 41 N N 1.141 119.817 118.700 -0.039 0.000 2.398 41 N HA 0.026 4.766 4.740 -0.001 0.000 0.188 41 N C 0.661 176.124 175.510 -0.079 0.000 1.122 41 N CA 0.279 53.299 53.050 -0.050 0.000 0.866 41 N CB 0.232 38.701 38.487 -0.030 0.000 0.970 41 N HN 0.380 nan 8.380 nan 0.000 0.462 42 M N -1.719 117.828 119.600 -0.088 0.000 2.569 42 M HA 0.484 4.963 4.480 -0.001 0.000 0.279 42 M C -1.612 174.572 176.300 -0.193 0.000 1.253 42 M CA -0.807 54.397 55.300 -0.160 0.000 0.867 42 M CB 2.510 35.064 32.600 -0.076 0.000 1.727 42 M HN -0.299 nan 8.290 nan 0.000 0.467 43 E N 1.110 121.096 120.200 -0.357 0.000 2.214 43 E HA 0.353 4.702 4.350 -0.001 0.000 0.274 43 E C -1.442 174.837 176.600 -0.536 0.000 0.977 43 E CA -0.813 55.384 56.400 -0.337 0.000 0.827 43 E CB 2.301 31.832 29.700 -0.282 0.000 1.130 43 E HN 0.615 nan 8.360 nan 0.000 0.394 44 Q N 1.957 121.420 119.800 -0.561 0.000 2.303 44 Q HA 0.319 4.659 4.340 -0.001 0.000 0.257 44 Q C -1.438 173.993 176.000 -0.950 0.000 0.941 44 Q CA -0.496 54.763 55.803 -0.907 0.000 0.931 44 Q CB 1.090 29.504 28.738 -0.540 0.000 1.215 44 Q HN 0.260 nan 8.270 nan 0.000 0.437 45 V N 5.296 124.632 119.914 -0.963 0.000 2.417 45 V HA 0.344 4.464 4.120 -0.001 0.000 0.291 45 V C -1.002 174.769 176.094 -0.538 0.000 1.024 45 V CA -0.694 61.180 62.300 -0.709 0.000 0.861 45 V CB 0.829 32.260 31.823 -0.653 0.000 0.985 45 V HN 0.664 nan 8.190 nan 0.000 0.436 46 Y N 2.479 122.811 120.300 0.052 0.000 2.352 46 Y HA 0.640 5.190 4.550 -0.001 0.000 0.326 46 Y C 0.504 176.471 175.900 0.112 0.000 1.166 46 Y CA -0.705 57.439 58.100 0.073 0.000 1.182 46 Y CB 1.296 39.770 38.460 0.023 0.000 1.216 46 Y HN 0.561 nan 8.280 nan 0.000 0.474 47 C N 0.287 119.734 119.300 0.246 0.000 2.719 47 C HA 0.383 4.842 4.460 -0.001 0.000 0.327 47 C C 1.493 176.511 174.990 0.046 0.000 1.238 47 C CA -0.749 58.338 59.018 0.114 0.000 1.727 47 C CB 1.422 29.248 27.740 0.144 0.000 2.256 47 C HN 1.116 nan 8.230 nan 0.000 0.489 48 C N 1.555 120.835 119.300 -0.032 0.000 2.496 48 C HA -0.019 4.440 4.460 -0.001 0.000 0.281 48 C C 1.046 176.034 174.990 -0.002 0.000 1.250 48 C CA 1.081 60.078 59.018 -0.035 0.000 1.717 48 C CB -1.460 26.234 27.740 -0.077 0.000 2.082 48 C HN 1.011 nan 8.230 nan 0.000 0.472 49 N N -0.093 118.608 118.700 0.002 0.000 2.453 49 N HA 0.337 5.077 4.740 -0.001 0.000 0.290 49 N C -0.276 175.241 175.510 0.011 0.000 1.250 49 N CA -0.567 52.490 53.050 0.011 0.000 0.815 49 N CB 0.414 38.910 38.487 0.015 0.000 1.381 49 N HN 0.049 nan 8.380 nan 0.000 0.510 50 E N -0.487 119.712 120.200 -0.002 0.000 2.152 50 E HA -0.003 4.346 4.350 -0.001 0.000 0.192 50 E C 1.374 177.942 176.600 -0.053 0.000 0.983 50 E CA 0.416 56.805 56.400 -0.019 0.000 0.818 50 E CB -0.199 29.476 29.700 -0.041 0.000 0.758 50 E HN 0.538 nan 8.360 nan 0.000 0.467 51 L N 1.137 122.329 121.223 -0.051 0.000 2.017 51 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 51 L C 1.374 178.183 176.870 -0.101 0.000 1.073 51 L CA 1.813 56.587 54.840 -0.111 0.000 0.745 51 L CB -0.500 41.553 42.059 -0.009 0.000 0.894 51 L HN 0.044 nan 8.230 nan 0.000 0.432 52 N N -1.084 117.629 118.700 0.023 0.000 2.188 52 N HA -0.197 4.543 4.740 -0.001 0.000 0.184 52 N C 2.039 177.574 175.510 0.041 0.000 1.018 52 N CA 1.412 54.510 53.050 0.079 0.000 0.858 52 N CB -1.091 37.418 38.487 0.037 0.000 0.989 52 N HN 0.550 nan 8.380 nan 0.000 0.426 53 C N 0.616 119.925 119.300 0.015 0.000 2.413 53 C HA -0.032 4.428 4.460 -0.001 0.000 0.276 53 C C 2.752 177.711 174.990 -0.051 0.000 1.236 53 C CA 1.417 60.451 59.018 0.027 0.000 1.735 53 C CB -1.285 26.495 27.740 0.067 0.000 2.031 53 C HN 0.517 nan 8.230 nan 0.000 0.474 54 G N -0.924 107.821 108.800 -0.092 0.000 2.418 54 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.217 54 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.217 54 G C 1.333 176.169 174.900 -0.108 0.000 1.158 54 G CA 0.819 45.834 45.100 -0.142 0.000 0.771 54 G HN 0.485 nan 8.290 nan 0.000 0.545 55 F N 1.710 121.648 119.950 -0.020 0.000 2.325 55 F HA 0.058 4.585 4.527 -0.001 0.000 0.299 55 F C 2.984 178.718 175.800 -0.109 0.000 1.090 55 F CA 0.793 58.792 58.000 -0.002 0.000 1.392 55 F CB -0.450 38.554 39.000 0.007 0.000 1.053 55 F HN 0.082 nan 8.300 nan 0.000 0.521 56 S N 0.002 115.681 115.700 -0.036 0.000 2.368 56 S HA -0.162 4.307 4.470 -0.001 0.000 0.225 56 S C 2.418 176.623 174.600 -0.659 0.000 1.030 56 S CA 1.094 59.094 58.200 -0.332 0.000 0.999 56 S CB -0.652 62.308 63.200 -0.401 0.000 0.844 56 S HN 0.348 nan 8.310 nan 0.000 0.459 57 A N 1.502 123.962 122.820 -0.600 0.000 1.933 57 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 57 A C 2.088 179.677 177.584 0.008 0.000 1.175 57 A CA 1.418 53.267 52.037 -0.313 0.000 0.628 57 A CB -0.541 18.413 19.000 -0.076 0.000 0.814 57 A HN 0.450 nan 8.150 nan 0.000 0.444 58 E N -0.066 120.179 120.200 0.076 0.000 2.058 58 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 58 E C 2.173 178.916 176.600 0.239 0.000 0.997 58 E CA 1.488 58.015 56.400 0.212 0.000 0.801 58 E CB -0.531 29.398 29.700 0.381 0.000 0.746 58 E HN 0.497 nan 8.360 nan 0.000 0.450 59 G N -0.245 108.664 108.800 0.182 0.000 2.418 59 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.217 59 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.217 59 G C 1.545 176.567 174.900 0.204 0.000 1.158 59 G CA 0.926 46.139 45.100 0.189 0.000 0.771 59 G HN 0.385 nan 8.290 nan 0.000 0.545 60 Y N 1.893 122.186 120.300 -0.012 0.000 2.181 60 Y HA -0.012 4.537 4.550 -0.001 0.000 0.288 60 Y C 2.923 178.842 175.900 0.032 0.000 1.146 60 Y CA 1.421 59.523 58.100 0.002 0.000 1.164 60 Y CB -0.199 38.339 38.460 0.130 0.000 0.982 60 Y HN 0.248 nan 8.280 nan 0.000 0.515 61 A N 0.270 123.228 122.820 0.229 0.000 2.019 61 A HA -0.178 4.141 4.320 -0.001 0.000 0.219 61 A C 2.212 179.843 177.584 0.078 0.000 1.164 61 A CA 1.592 53.717 52.037 0.147 0.000 0.644 61 A CB -0.537 18.558 19.000 0.159 0.000 0.805 61 A HN 0.540 nan 8.150 nan 0.000 0.449 62 R N -0.730 119.853 120.500 0.137 0.000 2.115 62 R HA 0.015 4.354 4.340 -0.001 0.000 0.230 62 R C 2.270 178.625 176.300 0.091 0.000 1.111 62 R CA 1.082 57.293 56.100 0.185 0.000 0.976 62 R CB -0.261 30.251 30.300 0.353 0.000 0.870 62 R HN 0.510 nan 8.270 nan 0.000 0.445 63 A N 0.473 123.198 122.820 -0.157 0.000 1.943 63 A HA 0.015 4.335 4.320 -0.001 0.000 0.213 63 A C 1.571 178.941 177.584 -0.358 0.000 1.181 63 A CA 0.833 52.581 52.037 -0.482 0.000 0.653 63 A CB 0.313 18.701 19.000 -1.021 0.000 0.833 63 A HN -0.023 nan 8.150 nan 0.000 0.451 64 K N -2.090 118.103 120.400 -0.345 0.000 2.412 64 K HA 0.273 4.593 4.320 -0.001 0.000 0.202 64 K C 1.144 177.686 176.600 -0.096 0.000 1.102 64 K CA 0.816 56.942 56.287 -0.269 0.000 1.027 64 K CB 0.961 33.202 32.500 -0.431 0.000 0.931 64 K HN 0.661 nan 8.250 nan 0.000 0.557 65 G N 1.050 109.821 108.800 -0.049 0.000 2.279 65 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.223 65 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.223 65 G C 0.242 175.176 174.900 0.056 0.000 1.015 65 G CA 0.136 45.241 45.100 0.008 0.000 0.621 65 G HN 0.634 nan 8.290 nan 0.000 0.506 66 A N -0.996 121.884 122.820 0.099 0.000 2.588 66 A HA 1.158 5.477 4.320 -0.001 0.000 0.290 66 A C -0.266 177.471 177.584 0.255 0.000 1.136 66 A CA 0.660 52.778 52.037 0.136 0.000 0.681 66 A CB 0.923 19.986 19.000 0.105 0.000 1.282 66 A HN 2.293 nan 8.150 nan 0.000 0.421 67 A N -1.173 121.780 122.820 0.222 0.000 2.564 67 A HA 1.009 5.329 4.320 -0.001 0.000 0.291 67 A C -0.787 176.892 177.584 0.159 0.000 1.102 67 A CA 0.036 52.235 52.037 0.271 0.000 0.660 67 A CB 0.567 19.772 19.000 0.342 0.000 1.283 67 A HN 2.666 nan 8.150 nan 0.000 0.430 68 A N -0.602 122.315 122.820 0.162 0.000 2.520 68 A HA 0.956 5.275 4.320 -0.001 0.000 0.298 68 A C -0.492 177.208 177.584 0.193 0.000 1.051 68 A CA 0.119 52.233 52.037 0.129 0.000 0.690 68 A CB 1.340 20.383 19.000 0.072 0.000 1.281 68 A HN 2.554 nan 8.150 nan 0.000 0.402 69 A N 1.193 124.097 122.820 0.141 0.000 2.356 69 A HA 0.718 5.038 4.320 -0.001 0.000 0.310 69 A C -1.068 176.582 177.584 0.111 0.000 1.075 69 A CA -0.479 51.653 52.037 0.159 0.000 0.746 69 A CB 1.374 20.440 19.000 0.109 0.000 1.221 69 A HN 1.387 nan 8.150 nan 0.000 0.443 70 V N 3.308 123.302 119.914 0.134 0.000 2.409 70 V HA 0.647 4.767 4.120 -0.001 0.000 0.291 70 V C 0.177 176.328 176.094 0.095 0.000 1.020 70 V CA -0.353 62.004 62.300 0.095 0.000 0.848 70 V CB 0.987 32.876 31.823 0.110 0.000 0.990 70 V HN 1.148 nan 8.190 nan 0.000 0.430 71 V N 1.616 121.568 119.914 0.063 0.000 3.156 71 V HA 0.797 4.916 4.120 -0.001 0.000 0.311 71 V C -0.225 175.903 176.094 0.057 0.000 1.208 71 V CA -0.590 61.740 62.300 0.050 0.000 1.063 71 V CB 1.980 33.812 31.823 0.014 0.000 1.098 71 V HN 0.691 nan 8.190 nan 0.000 0.452 72 T N -0.551 114.031 114.554 0.047 0.000 2.936 72 T HA 0.508 4.858 4.350 -0.001 0.000 0.282 72 T C -1.037 173.723 174.700 0.101 0.000 1.003 72 T CA -0.288 61.874 62.100 0.103 0.000 1.005 72 T CB 0.960 69.879 68.868 0.084 0.000 1.097 72 T HN 0.812 nan 8.240 nan 0.000 0.532 73 Y N 2.198 122.542 120.300 0.075 0.000 2.465 73 Y HA 0.293 4.842 4.550 -0.001 0.000 0.331 73 Y C 1.422 177.331 175.900 0.015 0.000 1.102 73 Y CA 1.254 59.355 58.100 0.002 0.000 1.358 73 Y CB -0.106 38.260 38.460 -0.156 0.000 1.213 73 Y HN 0.972 nan 8.280 nan 0.000 0.525 74 S N 0.960 116.294 115.700 -0.610 0.000 1.552 74 S HA -0.359 4.111 4.470 -0.001 0.000 0.237 74 S C 1.380 175.857 174.600 -0.205 0.000 0.756 74 S CA 2.017 59.972 58.200 -0.408 0.000 1.349 74 S CB -1.957 61.147 63.200 -0.162 0.000 1.675 74 S HN 1.126 nan 8.310 nan 0.000 0.517 75 V N 0.580 120.401 119.914 -0.155 0.000 2.343 75 V HA 0.210 4.330 4.120 -0.001 0.000 0.247 75 V C 2.019 178.029 176.094 -0.140 0.000 1.051 75 V CA 2.428 64.630 62.300 -0.163 0.000 1.036 75 V CB -1.238 30.397 31.823 -0.313 0.000 0.654 75 V HN 0.793 nan 8.190 nan 0.000 0.451 76 G N -1.568 107.153 108.800 -0.132 0.000 3.126 76 G HA2 0.504 4.463 3.960 -0.001 0.000 0.224 76 G HA3 0.504 4.463 3.960 -0.001 0.000 0.224 76 G C 1.217 176.031 174.900 -0.143 0.000 1.142 76 G CA 0.729 45.770 45.100 -0.099 0.000 0.759 76 G HN 0.839 nan 8.290 nan 0.000 0.550 77 A N 0.093 122.759 122.820 -0.257 0.000 1.984 77 A HA 0.427 4.747 4.320 -0.001 0.000 0.203 77 A C 1.996 179.088 177.584 -0.820 0.000 1.292 77 A CA 0.303 52.084 52.037 -0.427 0.000 0.782 77 A CB -0.174 18.595 19.000 -0.385 0.000 0.924 77 A HN 0.161 nan 8.150 nan 0.000 0.475 78 L N 1.429 122.234 121.223 -0.697 0.000 2.012 78 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 78 L C 2.924 179.606 176.870 -0.312 0.000 1.073 78 L CA 2.629 57.092 54.840 -0.629 0.000 0.748 78 L CB -0.676 41.224 42.059 -0.265 0.000 0.891 78 L HN 0.560 nan 8.230 nan 0.000 0.431 79 S N -1.262 114.326 115.700 -0.186 0.000 2.406 79 S HA -0.072 4.398 4.470 -0.001 0.000 0.228 79 S C 2.113 176.669 174.600 -0.073 0.000 1.020 79 S CA 0.629 58.789 58.200 -0.067 0.000 0.965 79 S CB -0.716 62.462 63.200 -0.036 0.000 0.798 79 S HN 0.329 nan 8.310 nan 0.000 0.488 80 A N 1.335 124.075 122.820 -0.133 0.000 2.019 80 A HA 0.075 4.395 4.320 -0.001 0.000 0.219 80 A C 1.795 179.409 177.584 0.050 0.000 1.164 80 A CA 1.111 53.096 52.037 -0.087 0.000 0.644 80 A CB -0.991 17.970 19.000 -0.065 0.000 0.805 80 A HN 0.474 nan 8.150 nan 0.000 0.449 81 F N 0.568 120.495 119.950 -0.038 0.000 2.202 81 F HA -0.165 4.362 4.527 -0.001 0.000 0.301 81 F C 2.165 177.955 175.800 -0.016 0.000 1.082 81 F CA 1.080 59.063 58.000 -0.028 0.000 1.313 81 F CB -0.924 38.070 39.000 -0.010 0.000 1.024 81 F HN 0.332 nan 8.300 nan 0.000 0.495 82 D N 0.130 120.660 120.400 0.218 0.000 2.104 82 D HA -0.156 4.483 4.640 -0.001 0.000 0.194 82 D C 2.258 178.599 176.300 0.069 0.000 0.994 82 D CA 1.476 55.642 54.000 0.277 0.000 0.830 82 D CB -0.182 40.787 40.800 0.282 0.000 0.959 82 D HN 0.183 nan 8.370 nan 0.000 0.452 83 A N 0.473 123.098 122.820 -0.324 0.000 1.969 83 A HA -0.095 4.225 4.320 -0.001 0.000 0.218 83 A C 2.260 179.672 177.584 -0.287 0.000 1.169 83 A CA 0.738 52.383 52.037 -0.653 0.000 0.635 83 A CB -0.401 18.041 19.000 -0.929 0.000 0.810 83 A HN 0.265 nan 8.150 nan 0.000 0.445 84 I N 0.072 120.551 120.570 -0.152 0.000 2.252 84 I HA -0.141 4.028 4.170 -0.001 0.000 0.245 84 I C 2.664 178.649 176.117 -0.220 0.000 1.102 84 I CA 1.339 62.583 61.300 -0.093 0.000 1.385 84 I CB -1.929 36.094 38.000 0.038 0.000 1.064 84 I HN 0.333 nan 8.210 nan 0.000 0.414 85 G N 0.734 109.327 108.800 -0.345 0.000 2.442 85 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.219 85 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.219 85 G C 1.757 175.812 174.900 -1.408 0.000 1.141 85 G CA 0.910 45.587 45.100 -0.705 0.000 0.763 85 G HN 0.474 nan 8.290 nan 0.000 0.554 86 G N 1.072 108.925 108.800 -1.579 0.000 2.418 86 G HA2 0.035 3.994 3.960 -0.001 0.000 0.217 86 G HA3 0.035 3.994 3.960 -0.001 0.000 0.217 86 G C 2.049 176.684 174.900 -0.443 0.000 1.158 86 G CA 1.519 45.776 45.100 -1.404 0.000 0.771 86 G HN 0.648 nan 8.290 nan 0.000 0.545 87 A N -0.305 122.379 122.820 -0.227 0.000 1.930 87 A HA -0.002 4.318 4.320 -0.001 0.000 0.217 87 A C 2.196 179.742 177.584 -0.064 0.000 1.175 87 A CA 1.621 53.623 52.037 -0.059 0.000 0.627 87 A CB -0.606 18.390 19.000 -0.006 0.000 0.815 87 A HN 0.446 nan 8.150 nan 0.000 0.443 88 Y N 0.530 120.700 120.300 -0.216 0.000 2.145 88 Y HA -0.093 4.457 4.550 -0.001 0.000 0.286 88 Y C 2.679 178.510 175.900 -0.114 0.000 1.145 88 Y CA 1.310 59.317 58.100 -0.154 0.000 1.148 88 Y CB -0.455 37.900 38.460 -0.176 0.000 0.981 88 Y HN 0.305 nan 8.280 nan 0.000 0.507 89 A N -0.209 122.650 122.820 0.065 0.000 2.019 89 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 89 A C 1.748 179.357 177.584 0.043 0.000 1.164 89 A CA 1.847 53.960 52.037 0.126 0.000 0.644 89 A CB -0.367 18.792 19.000 0.264 0.000 0.805 89 A HN 0.522 nan 8.150 nan 0.000 0.449 90 E N 0.053 120.246 120.200 -0.011 0.000 2.476 90 E HA 0.048 4.398 4.350 -0.001 0.000 0.196 90 E C -0.555 176.035 176.600 -0.016 0.000 1.029 90 E CA -0.229 56.170 56.400 -0.002 0.000 0.896 90 E CB -0.156 29.552 29.700 0.014 0.000 1.012 90 E HN 0.600 nan 8.360 nan 0.000 0.475 91 N N 0.843 119.496 118.700 -0.079 0.000 2.738 91 N HA -0.202 4.538 4.740 -0.001 0.000 0.249 91 N C -0.712 174.763 175.510 -0.059 0.000 1.047 91 N CA 0.631 53.616 53.050 -0.109 0.000 0.707 91 N CB -1.560 36.878 38.487 -0.082 0.000 0.937 91 N HN 0.219 nan 8.380 nan 0.000 0.545 92 L N 0.378 121.577 121.223 -0.040 0.000 2.333 92 L HA 0.421 4.761 4.340 -0.001 0.000 0.280 92 L C -2.062 174.806 176.870 -0.003 0.000 1.004 92 L CA -1.825 53.019 54.840 0.006 0.000 0.820 92 L CB 1.920 44.017 42.059 0.064 0.000 1.247 92 L HN -0.233 nan 8.230 nan 0.000 0.416 93 P HA 0.073 nan 4.420 nan 0.000 0.256 93 P C -0.567 176.753 177.300 0.034 0.000 1.688 93 P CA -0.000 63.099 63.100 -0.001 0.000 1.162 93 P CB 0.123 31.819 31.700 -0.005 0.000 1.870 94 V N 4.938 124.876 119.914 0.039 0.000 2.439 94 V HA 0.273 4.393 4.120 -0.001 0.000 0.282 94 V C 0.697 176.821 176.094 0.049 0.000 1.039 94 V CA -0.523 61.814 62.300 0.061 0.000 0.913 94 V CB 1.310 33.171 31.823 0.064 0.000 0.983 94 V HN 0.285 nan 8.190 nan 0.000 0.460 95 I N 5.900 126.500 120.570 0.050 0.000 2.297 95 I HA 0.288 4.458 4.170 -0.001 0.000 0.291 95 I C -0.379 175.763 176.117 0.041 0.000 1.033 95 I CA -0.361 60.958 61.300 0.031 0.000 1.253 95 I CB 1.237 39.241 38.000 0.006 0.000 1.396 95 I HN 0.407 nan 8.210 nan 0.000 0.476 96 L N 8.984 130.239 121.223 0.055 0.000 2.257 96 L HA 0.516 4.855 4.340 -0.001 0.000 0.290 96 L C -0.668 176.182 176.870 -0.034 0.000 1.044 96 L CA 0.067 54.947 54.840 0.066 0.000 0.810 96 L CB 0.567 42.733 42.059 0.178 0.000 1.193 96 L HN 0.381 nan 8.230 nan 0.000 0.425 97 I N 4.243 124.786 120.570 -0.046 0.000 2.362 97 I HA 0.420 4.589 4.170 -0.001 0.000 0.289 97 I C 0.098 176.164 176.117 -0.085 0.000 0.994 97 I CA 0.062 61.292 61.300 -0.117 0.000 1.158 97 I CB 1.765 39.716 38.000 -0.081 0.000 1.315 97 I HN 0.582 nan 8.210 nan 0.000 0.451 98 S N 3.961 119.568 115.700 -0.154 0.000 2.472 98 S HA 0.778 5.248 4.470 -0.001 0.000 0.303 98 S C 0.185 174.786 174.600 0.001 0.000 1.099 98 S CA -0.629 57.549 58.200 -0.036 0.000 1.077 98 S CB 1.069 64.284 63.200 0.026 0.000 1.031 98 S HN 0.798 nan 8.310 nan 0.000 0.487 99 G N 2.045 110.890 108.800 0.076 0.000 2.636 99 G HA2 0.585 4.545 3.960 -0.001 0.000 0.246 99 G HA3 0.585 4.545 3.960 -0.001 0.000 0.246 99 G C -0.202 174.761 174.900 0.105 0.000 1.216 99 G CA 0.118 45.284 45.100 0.111 0.000 0.854 99 G HN 1.156 nan 8.290 nan 0.000 0.572 100 A N 1.446 124.254 122.820 -0.019 0.000 2.593 100 A HA 0.877 5.197 4.320 -0.001 0.000 0.290 100 A C -2.931 174.342 177.584 -0.518 0.000 1.126 100 A CA -1.318 50.552 52.037 -0.277 0.000 0.695 100 A CB 1.240 20.192 19.000 -0.079 0.000 1.290 100 A HN 0.511 nan 8.150 nan 0.000 0.414 101 P HA 0.019 nan 4.420 nan 0.000 0.269 101 P C -0.340 176.835 177.300 -0.208 0.000 1.217 101 P CA -0.315 62.352 63.100 -0.721 0.000 0.783 101 P CB 0.346 31.459 31.700 -0.979 0.000 0.898 102 N N 2.818 121.483 118.700 -0.059 0.000 2.292 102 N HA -0.114 4.626 4.740 -0.001 0.000 0.258 102 N C 1.037 176.562 175.510 0.025 0.000 1.261 102 N CA 0.217 53.281 53.050 0.023 0.000 0.845 102 N CB 0.226 38.739 38.487 0.043 0.000 1.064 102 N HN 0.366 nan 8.380 nan 0.000 0.471 103 N N 3.718 122.485 118.700 0.111 0.000 2.520 103 N HA -0.135 4.604 4.740 -0.001 0.000 0.185 103 N C 0.317 175.919 175.510 0.153 0.000 1.068 103 N CA 0.905 54.079 53.050 0.206 0.000 0.911 103 N CB -0.270 38.326 38.487 0.182 0.000 0.961 103 N HN 0.471 nan 8.380 nan 0.000 0.446 104 N N 0.505 119.251 118.700 0.077 0.000 2.494 104 N HA -0.051 4.689 4.740 -0.001 0.000 0.182 104 N C -0.100 175.425 175.510 0.024 0.000 1.076 104 N CA 0.547 53.630 53.050 0.054 0.000 0.908 104 N CB 0.077 38.600 38.487 0.061 0.000 0.967 104 N HN 0.350 nan 8.380 nan 0.000 0.449 105 D N -0.179 120.198 120.400 -0.037 0.000 2.328 105 D HA 0.021 4.660 4.640 -0.001 0.000 0.221 105 D C 0.204 176.380 176.300 -0.208 0.000 1.072 105 D CA 0.236 54.182 54.000 -0.089 0.000 0.850 105 D CB 0.222 40.936 40.800 -0.143 0.000 0.922 105 D HN 0.286 nan 8.370 nan 0.000 0.516 106 H N 0.435 119.479 119.070 -0.045 0.000 2.511 106 H HA 0.338 4.893 4.556 -0.001 0.000 0.346 106 H C 1.026 176.317 175.328 -0.062 0.000 1.128 106 H CA -0.147 55.883 56.048 -0.031 0.000 1.342 106 H CB 1.455 31.124 29.762 -0.154 0.000 1.470 106 H HN -0.048 nan 8.280 nan 0.000 0.546 107 A N 1.862 124.728 122.820 0.076 0.000 2.704 107 A HA -0.218 4.101 4.320 -0.001 0.000 0.299 107 A C 1.241 178.786 177.584 -0.065 0.000 1.507 107 A CA 1.177 53.218 52.037 0.007 0.000 0.776 107 A CB -1.856 17.145 19.000 0.002 0.000 1.027 107 A HN 0.853 nan 8.150 nan 0.000 0.475 108 A N -1.296 121.440 122.820 -0.140 0.000 2.508 108 A HA 0.584 4.903 4.320 -0.001 0.000 0.250 108 A C 2.120 179.503 177.584 -0.336 0.000 1.208 108 A CA 1.257 53.090 52.037 -0.340 0.000 0.960 108 A CB -0.320 18.274 19.000 -0.676 0.000 1.099 108 A HN 2.600 nan 8.150 nan 0.000 0.542 109 G N 0.038 108.765 108.800 -0.120 0.000 2.198 109 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.260 109 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.260 109 G C -0.131 174.855 174.900 0.144 0.000 1.025 109 G CA 0.621 45.723 45.100 0.003 0.000 0.769 109 G HN 0.816 nan 8.290 nan 0.000 0.507 110 H N -1.037 118.081 119.070 0.080 0.000 2.467 110 H HA 0.468 5.023 4.556 -0.001 0.000 0.326 110 H C -0.036 175.392 175.328 0.167 0.000 1.094 110 H CA -1.137 54.968 56.048 0.094 0.000 1.253 110 H CB 1.892 31.692 29.762 0.063 0.000 1.439 110 H HN 0.094 nan 8.280 nan 0.000 0.479 111 V N 6.086 126.151 119.914 0.251 0.000 2.432 111 V HA 0.166 4.285 4.120 -0.001 0.000 0.275 111 V C 0.113 176.337 176.094 0.216 0.000 1.043 111 V CA -0.377 62.063 62.300 0.232 0.000 0.925 111 V CB 0.808 32.714 31.823 0.137 0.000 0.985 111 V HN 0.525 nan 8.190 nan 0.000 0.466 112 L N 3.499 124.898 121.223 0.293 0.000 2.334 112 L HA 0.552 4.891 4.340 -0.001 0.000 0.273 112 L C -0.021 176.988 176.870 0.231 0.000 1.013 112 L CA -1.011 53.945 54.840 0.193 0.000 0.816 112 L CB 1.718 43.797 42.059 0.033 0.000 1.278 112 L HN 0.660 nan 8.230 nan 0.000 0.431 113 H N 1.870 120.989 119.070 0.082 0.000 2.852 113 H HA 0.044 4.599 4.556 -0.001 0.000 0.362 113 H C 0.075 175.482 175.328 0.130 0.000 1.122 113 H CA 0.722 56.765 56.048 -0.009 0.000 1.419 113 H CB 0.340 29.979 29.762 -0.205 0.000 1.401 113 H HN 0.538 nan 8.280 nan 0.000 0.609 114 H N -0.784 118.002 119.070 -0.473 0.000 2.992 114 H HA -0.160 4.395 4.556 -0.001 0.000 0.266 114 H C -0.493 174.967 175.328 0.221 0.000 1.200 114 H CA 0.784 56.779 56.048 -0.087 0.000 1.135 114 H CB -1.864 28.016 29.762 0.196 0.000 1.282 114 H HN 0.701 nan 8.280 nan 0.000 0.351 115 A N -0.360 122.653 122.820 0.321 0.000 2.524 115 A HA 0.680 4.999 4.320 -0.001 0.000 0.286 115 A C 1.161 178.877 177.584 0.220 0.000 1.203 115 A CA -0.331 51.980 52.037 0.457 0.000 0.736 115 A CB 0.572 20.001 19.000 0.716 0.000 1.322 115 A HN 0.068 nan 8.150 nan 0.000 0.424 116 L N 0.366 121.654 121.223 0.110 0.000 2.465 116 L HA 0.179 4.519 4.340 -0.001 0.000 0.224 116 L C 1.702 178.560 176.870 -0.019 0.000 1.145 116 L CA 1.333 56.133 54.840 -0.067 0.000 0.834 116 L CB -0.301 41.575 42.059 -0.305 0.000 0.944 116 L HN 1.330 nan 8.230 nan 0.000 0.451 117 G N -0.433 108.394 108.800 0.046 0.000 2.163 117 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.213 117 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.213 117 G C 0.279 175.187 174.900 0.012 0.000 0.991 117 G CA -0.238 44.889 45.100 0.044 0.000 0.653 117 G HN 0.305 nan 8.290 nan 0.000 0.518 118 K N -0.552 119.823 120.400 -0.042 0.000 2.416 118 K HA 0.663 4.983 4.320 -0.001 0.000 0.244 118 K C 1.482 177.990 176.600 -0.154 0.000 1.044 118 K CA 0.005 56.235 56.287 -0.094 0.000 0.972 118 K CB 0.754 33.167 32.500 -0.144 0.000 1.286 118 K HN 0.184 nan 8.250 nan 0.000 0.500 119 T N -2.403 112.046 114.554 -0.176 0.000 3.092 119 T HA 0.083 4.432 4.350 -0.001 0.000 0.258 119 T C -0.288 174.207 174.700 -0.340 0.000 1.031 119 T CA -0.382 61.628 62.100 -0.150 0.000 0.925 119 T CB -0.399 68.463 68.868 -0.010 0.000 1.036 119 T HN 0.563 nan 8.240 nan 0.000 0.544 120 D N 0.121 120.184 120.400 -0.562 0.000 2.350 120 D HA 0.366 5.006 4.640 -0.001 0.000 0.238 120 D C -0.961 174.867 176.300 -0.787 0.000 0.989 120 D CA -1.363 52.373 54.000 -0.441 0.000 0.921 120 D CB 0.784 41.529 40.800 -0.090 0.000 1.297 120 D HN 0.177 nan 8.370 nan 0.000 0.490 121 Y N -0.898 119.493 120.300 0.151 0.000 2.712 121 Y HA 0.146 4.696 4.550 -0.001 0.000 0.250 121 Y C 0.800 176.799 175.900 0.164 0.000 1.101 121 Y CA -0.599 57.590 58.100 0.148 0.000 1.118 121 Y CB 0.185 38.635 38.460 -0.017 0.000 1.203 121 Y HN 0.614 nan 8.280 nan 0.000 0.587 122 H N -2.123 117.102 119.070 0.259 0.000 2.586 122 H HA 0.025 4.580 4.556 -0.001 0.000 0.273 122 H C 1.312 176.723 175.328 0.138 0.000 0.997 122 H CA 0.264 56.436 56.048 0.206 0.000 1.177 122 H CB -0.381 29.489 29.762 0.179 0.000 1.471 122 H HN 0.566 nan 8.280 nan 0.000 0.538 123 Y N 1.419 121.701 120.300 -0.031 0.000 2.224 123 Y HA -0.133 4.416 4.550 -0.001 0.000 0.289 123 Y C 2.552 178.507 175.900 0.092 0.000 1.146 123 Y CA 1.276 59.378 58.100 0.003 0.000 1.182 123 Y CB -0.525 37.898 38.460 -0.062 0.000 0.983 123 Y HN 0.185 nan 8.280 nan 0.000 0.524 124 Q N 0.542 120.088 119.800 -0.422 0.000 2.079 124 Q HA -0.171 4.168 4.340 -0.001 0.000 0.200 124 Q C 2.225 178.190 176.000 -0.059 0.000 0.974 124 Q CA 1.656 57.360 55.803 -0.165 0.000 0.840 124 Q CB -0.209 28.318 28.738 -0.352 0.000 0.898 124 Q HN 0.591 nan 8.270 nan 0.000 0.430 125 L N 1.248 122.463 121.223 -0.014 0.000 2.012 125 L HA -0.201 4.139 4.340 -0.001 0.000 0.210 125 L C 2.031 178.835 176.870 -0.110 0.000 1.073 125 L CA 1.938 56.736 54.840 -0.071 0.000 0.748 125 L CB -0.481 41.675 42.059 0.162 0.000 0.891 125 L HN 0.189 nan 8.230 nan 0.000 0.431 126 E N -0.488 119.727 120.200 0.025 0.000 2.110 126 E HA -0.228 4.122 4.350 -0.001 0.000 0.193 126 E C 2.205 178.775 176.600 -0.050 0.000 0.988 126 E CA 1.807 58.225 56.400 0.030 0.000 0.804 126 E CB -0.389 29.396 29.700 0.142 0.000 0.745 126 E HN 0.606 nan 8.360 nan 0.000 0.458 127 M N 0.239 119.812 119.600 -0.045 0.000 2.086 127 M HA -0.106 4.374 4.480 -0.001 0.000 0.261 127 M C 2.417 178.464 176.300 -0.422 0.000 1.067 127 M CA 1.584 56.815 55.300 -0.115 0.000 1.116 127 M CB -0.365 32.290 32.600 0.091 0.000 1.348 127 M HN 0.050 nan 8.290 nan 0.000 0.407 128 A N 0.598 123.025 122.820 -0.656 0.000 1.978 128 A HA -0.193 4.127 4.320 -0.001 0.000 0.220 128 A C 2.056 179.330 177.584 -0.518 0.000 1.170 128 A CA 1.733 53.202 52.037 -0.947 0.000 0.636 128 A CB -0.632 17.621 19.000 -1.245 0.000 0.810 128 A HN 0.461 nan 8.150 nan 0.000 0.448 129 K N -0.072 120.132 120.400 -0.326 0.000 2.280 129 K HA -0.093 4.226 4.320 -0.001 0.000 0.202 129 K C 1.218 177.703 176.600 -0.191 0.000 1.047 129 K CA 1.126 57.301 56.287 -0.185 0.000 0.942 129 K CB -0.183 32.256 32.500 -0.102 0.000 0.739 129 K HN 0.492 nan 8.250 nan 0.000 0.457 130 N N 1.098 119.657 118.700 -0.236 0.000 2.457 130 N HA -0.052 4.688 4.740 -0.001 0.000 0.180 130 N C 1.362 176.683 175.510 -0.313 0.000 1.050 130 N CA 0.990 53.908 53.050 -0.220 0.000 0.906 130 N CB 0.320 38.703 38.487 -0.174 0.000 0.968 130 N HN 0.387 nan 8.380 nan 0.000 0.445 131 I N -2.541 117.805 120.570 -0.374 0.000 3.994 131 I HA 0.267 4.436 4.170 -0.001 0.000 0.323 131 I C -0.345 175.566 176.117 -0.342 0.000 1.501 131 I CA -0.470 60.554 61.300 -0.459 0.000 1.112 131 I CB 0.569 38.350 38.000 -0.365 0.000 1.254 131 I HN -0.241 nan 8.210 nan 0.000 0.495 132 T N -2.961 111.475 114.554 -0.197 0.000 2.865 132 T HA 0.751 5.100 4.350 -0.001 0.000 0.294 132 T C 0.603 175.400 174.700 0.162 0.000 1.119 132 T CA -0.086 62.049 62.100 0.059 0.000 1.007 132 T CB 2.353 71.232 68.868 0.019 0.000 1.225 132 T HN 0.009 nan 8.240 nan 0.000 0.515 133 A N 0.173 123.109 122.820 0.193 0.000 2.132 133 A HA 0.764 5.083 4.320 -0.001 0.000 0.213 133 A C 1.085 178.704 177.584 0.058 0.000 1.154 133 A CA 0.601 52.718 52.037 0.133 0.000 0.753 133 A CB -0.550 18.483 19.000 0.056 0.000 0.826 133 A HN 1.608 nan 8.150 nan 0.000 0.469 134 A N -1.558 121.290 122.820 0.046 0.000 2.589 134 A HA 0.732 5.051 4.320 -0.001 0.000 0.296 134 A C -0.849 176.793 177.584 0.096 0.000 1.062 134 A CA 0.128 52.198 52.037 0.054 0.000 0.686 134 A CB 0.719 19.679 19.000 -0.067 0.000 1.282 134 A HN 1.618 nan 8.150 nan 0.000 0.404 135 A N 1.625 124.528 122.820 0.139 0.000 2.456 135 A HA 0.736 5.056 4.320 -0.001 0.000 0.288 135 A C -1.305 176.399 177.584 0.201 0.000 1.042 135 A CA -0.376 51.790 52.037 0.215 0.000 0.738 135 A CB 1.178 20.255 19.000 0.129 0.000 1.266 135 A HN 0.638 nan 8.150 nan 0.000 0.407 136 E N 0.807 121.124 120.200 0.196 0.000 2.293 136 E HA 0.661 5.010 4.350 -0.001 0.000 0.270 136 E C -0.707 175.898 176.600 0.008 0.000 0.879 136 E CA -0.591 55.859 56.400 0.083 0.000 0.756 136 E CB 2.450 32.178 29.700 0.047 0.000 1.208 136 E HN 0.901 nan 8.360 nan 0.000 0.428 137 A N 3.297 126.067 122.820 -0.083 0.000 2.317 137 A HA 0.706 5.026 4.320 -0.001 0.000 0.327 137 A C -0.306 176.968 177.584 -0.516 0.000 1.178 137 A CA -0.621 51.230 52.037 -0.309 0.000 0.817 137 A CB 0.369 19.141 19.000 -0.380 0.000 1.189 137 A HN 0.551 nan 8.150 nan 0.000 0.489 138 I N 2.486 122.747 120.570 -0.514 0.000 2.355 138 I HA 0.282 4.452 4.170 -0.001 0.000 0.288 138 I C -0.541 175.330 176.117 -0.410 0.000 0.999 138 I CA -0.124 60.945 61.300 -0.385 0.000 1.163 138 I CB 1.147 39.023 38.000 -0.206 0.000 1.316 138 I HN 0.804 nan 8.210 nan 0.000 0.454 139 Y N 2.953 123.218 120.300 -0.059 0.000 2.498 139 Y HA 0.126 4.675 4.550 -0.001 0.000 0.259 139 Y C 1.310 177.186 175.900 -0.041 0.000 1.086 139 Y CA -0.291 57.770 58.100 -0.065 0.000 1.287 139 Y CB 0.476 38.857 38.460 -0.132 0.000 1.146 139 Y HN 0.520 nan 8.280 nan 0.000 0.523 140 T N -3.726 110.874 114.554 0.076 0.000 2.906 140 T HA 0.360 4.710 4.350 -0.001 0.000 0.295 140 T C -2.433 172.260 174.700 -0.010 0.000 1.061 140 T CA -2.411 59.711 62.100 0.037 0.000 1.000 140 T CB 2.639 71.526 68.868 0.032 0.000 1.103 140 T HN -0.351 nan 8.240 nan 0.000 0.486 141 P HA -0.018 nan 4.420 nan 0.000 0.217 141 P C 1.048 178.310 177.300 -0.063 0.000 1.150 141 P CA 0.996 64.075 63.100 -0.035 0.000 0.832 141 P CB 0.103 31.794 31.700 -0.014 0.000 0.787 142 E N -0.087 120.085 120.200 -0.047 0.000 2.153 142 E HA -0.161 4.188 4.350 -0.001 0.000 0.194 142 E C 1.747 178.297 176.600 -0.084 0.000 0.988 142 E CA 1.018 57.383 56.400 -0.059 0.000 0.811 142 E CB -0.660 29.019 29.700 -0.035 0.000 0.746 142 E HN 0.455 nan 8.360 nan 0.000 0.466 143 E N 0.023 120.176 120.200 -0.078 0.000 2.371 143 E HA 0.039 4.389 4.350 -0.001 0.000 0.194 143 E C 1.871 178.392 176.600 -0.133 0.000 1.012 143 E CA 0.435 56.781 56.400 -0.089 0.000 0.860 143 E CB 0.064 29.725 29.700 -0.065 0.000 0.811 143 E HN 0.257 nan 8.360 nan 0.000 0.502 144 A N 2.353 125.075 122.820 -0.163 0.000 1.865 144 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 144 A C -0.292 177.095 177.584 -0.328 0.000 1.191 144 A CA 1.236 53.145 52.037 -0.212 0.000 0.623 144 A CB -1.437 17.441 19.000 -0.203 0.000 0.826 144 A HN 0.124 nan 8.150 nan 0.000 0.444 145 P HA -0.152 nan 4.420 nan 0.000 0.215 145 P C 1.766 178.908 177.300 -0.264 0.000 1.157 145 P CA 2.123 64.764 63.100 -0.764 0.000 0.868 145 P CB -0.164 31.126 31.700 -0.683 0.000 0.788 146 A N -0.378 122.347 122.820 -0.159 0.000 1.902 146 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 146 A C 2.115 179.689 177.584 -0.017 0.000 1.181 146 A CA 1.874 53.874 52.037 -0.061 0.000 0.623 146 A CB -1.062 17.899 19.000 -0.065 0.000 0.818 146 A HN 0.134 nan 8.150 nan 0.000 0.443 147 K N -0.508 119.864 120.400 -0.047 0.000 2.103 147 K HA 0.063 4.383 4.320 -0.001 0.000 0.204 147 K C 1.749 178.366 176.600 0.028 0.000 1.052 147 K CA 1.225 57.513 56.287 0.002 0.000 0.945 147 K CB -0.286 32.186 32.500 -0.047 0.000 0.722 147 K HN 0.518 nan 8.250 nan 0.000 0.443 148 I N 1.502 122.065 120.570 -0.012 0.000 2.142 148 I HA -0.304 3.866 4.170 -0.001 0.000 0.240 148 I C 1.598 177.750 176.117 0.058 0.000 1.078 148 I CA 1.296 62.613 61.300 0.028 0.000 1.343 148 I CB -0.278 37.772 38.000 0.082 0.000 1.046 148 I HN 0.144 nan 8.210 nan 0.000 0.405 149 D N -0.413 120.043 120.400 0.094 0.000 2.117 149 D HA -0.242 4.398 4.640 -0.001 0.000 0.197 149 D C 1.981 178.306 176.300 0.042 0.000 0.987 149 D CA 1.497 55.539 54.000 0.071 0.000 0.829 149 D CB -0.465 40.390 40.800 0.091 0.000 0.961 149 D HN 0.445 nan 8.370 nan 0.000 0.460 150 H N 0.778 119.837 119.070 -0.019 0.000 2.321 150 H HA -0.098 4.457 4.556 -0.001 0.000 0.300 150 H C 2.006 177.320 175.328 -0.024 0.000 1.087 150 H CA 2.495 58.529 56.048 -0.023 0.000 1.319 150 H CB -0.267 29.482 29.762 -0.022 0.000 1.379 150 H HN 0.056 nan 8.280 nan 0.000 0.501 151 V N -0.993 118.821 119.914 -0.166 0.000 2.427 151 V HA -0.128 3.991 4.120 -0.001 0.000 0.248 151 V C 2.439 178.429 176.094 -0.174 0.000 1.051 151 V CA 1.873 64.044 62.300 -0.214 0.000 1.048 151 V CB -0.811 30.973 31.823 -0.066 0.000 0.666 151 V HN 0.450 nan 8.190 nan 0.000 0.456 152 I N 0.026 120.522 120.570 -0.123 0.000 2.202 152 I HA -0.181 3.988 4.170 -0.001 0.000 0.242 152 I C 2.894 178.905 176.117 -0.177 0.000 1.091 152 I CA 1.952 63.174 61.300 -0.130 0.000 1.368 152 I CB -0.415 37.517 38.000 -0.113 0.000 1.058 152 I HN 0.263 nan 8.210 nan 0.000 0.410 153 K N 0.152 120.447 120.400 -0.174 0.000 2.057 153 K HA -0.143 4.176 4.320 -0.001 0.000 0.207 153 K C 2.117 178.617 176.600 -0.167 0.000 1.049 153 K CA 1.854 58.037 56.287 -0.174 0.000 0.931 153 K CB -0.267 32.166 32.500 -0.111 0.000 0.714 153 K HN 0.316 nan 8.250 nan 0.000 0.440 154 T N 1.101 115.526 114.554 -0.215 0.000 2.708 154 T HA -0.155 4.194 4.350 -0.001 0.000 0.266 154 T C 1.967 176.586 174.700 -0.136 0.000 1.037 154 T CA 1.399 63.381 62.100 -0.196 0.000 1.146 154 T CB -0.265 68.416 68.868 -0.312 0.000 0.865 154 T HN 0.327 nan 8.240 nan 0.000 0.435 155 A N 1.417 124.156 122.820 -0.134 0.000 1.865 155 A HA -0.056 4.263 4.320 -0.001 0.000 0.217 155 A C 2.328 179.856 177.584 -0.092 0.000 1.191 155 A CA 1.416 53.395 52.037 -0.096 0.000 0.623 155 A CB -0.966 17.987 19.000 -0.078 0.000 0.826 155 A HN 0.483 nan 8.150 nan 0.000 0.444 156 L N -1.361 119.790 121.223 -0.120 0.000 2.083 156 L HA -0.167 4.173 4.340 -0.001 0.000 0.209 156 L C 2.844 179.674 176.870 -0.067 0.000 1.083 156 L CA 1.765 56.539 54.840 -0.110 0.000 0.752 156 L CB -0.477 41.441 42.059 -0.235 0.000 0.899 156 L HN 0.488 nan 8.230 nan 0.000 0.433 157 R N 0.108 120.565 120.500 -0.072 0.000 2.062 157 R HA -0.116 4.224 4.340 -0.001 0.000 0.229 157 R C 2.003 178.285 176.300 -0.030 0.000 1.128 157 R CA 1.156 57.235 56.100 -0.035 0.000 0.960 157 R CB 0.124 30.407 30.300 -0.028 0.000 0.855 157 R HN 0.278 nan 8.270 nan 0.000 0.432 158 E N 0.770 120.938 120.200 -0.054 0.000 2.371 158 E HA -0.030 4.319 4.350 -0.001 0.000 0.194 158 E C -0.097 176.448 176.600 -0.092 0.000 1.012 158 E CA 0.191 56.552 56.400 -0.066 0.000 0.860 158 E CB 0.326 29.980 29.700 -0.078 0.000 0.811 158 E HN 0.131 nan 8.360 nan 0.000 0.502 159 K N 1.212 121.563 120.400 -0.082 0.000 3.244 159 K HA -0.139 4.180 4.320 -0.001 0.000 0.270 159 K C -0.292 176.221 176.600 -0.144 0.000 1.016 159 K CA 0.707 56.942 56.287 -0.087 0.000 0.754 159 K CB -1.293 31.163 32.500 -0.073 0.000 1.326 159 K HN 0.090 nan 8.250 nan 0.000 0.465 160 K N -0.767 119.546 120.400 -0.146 0.000 2.512 160 K HA 0.529 4.849 4.320 -0.001 0.000 0.263 160 K C -2.644 173.914 176.600 -0.070 0.000 0.966 160 K CA -2.132 54.034 56.287 -0.201 0.000 0.851 160 K CB 2.041 34.358 32.500 -0.306 0.000 1.395 160 K HN -0.185 nan 8.250 nan 0.000 0.440 161 P HA 0.233 nan 4.420 nan 0.000 0.274 161 P C -0.452 176.886 177.300 0.062 0.000 1.246 161 P CA -0.523 62.602 63.100 0.041 0.000 0.795 161 P CB 0.672 32.410 31.700 0.063 0.000 1.006 162 V N -1.690 118.259 119.914 0.058 0.000 3.160 162 V HA 0.672 4.792 4.120 -0.001 0.000 0.310 162 V C -1.603 174.573 176.094 0.135 0.000 1.181 162 V CA -1.110 61.233 62.300 0.071 0.000 1.047 162 V CB 2.032 33.859 31.823 0.007 0.000 1.068 162 V HN 0.534 nan 8.190 nan 0.000 0.441 163 Y N 1.292 121.593 120.300 0.003 0.000 2.425 163 Y HA 0.833 5.383 4.550 -0.001 0.000 0.344 163 Y C -1.382 174.530 175.900 0.020 0.000 0.969 163 Y CA -0.992 57.124 58.100 0.026 0.000 1.052 163 Y CB 1.904 40.380 38.460 0.026 0.000 1.215 163 Y HN 0.858 nan 8.280 nan 0.000 0.451 164 L N 6.428 127.304 121.223 -0.579 0.000 2.410 164 L HA 0.466 4.806 4.340 -0.001 0.000 0.270 164 L C -1.316 175.115 176.870 -0.731 0.000 0.983 164 L CA -0.761 53.786 54.840 -0.488 0.000 0.822 164 L CB 2.309 44.226 42.059 -0.236 0.000 1.285 164 L HN 0.798 nan 8.230 nan 0.000 0.409 165 E N 4.254 124.146 120.200 -0.512 0.000 2.256 165 E HA 0.719 5.069 4.350 -0.001 0.000 0.267 165 E C -1.349 175.134 176.600 -0.194 0.000 0.892 165 E CA -0.827 55.393 56.400 -0.300 0.000 0.775 165 E CB 2.842 32.487 29.700 -0.091 0.000 1.207 165 E HN 0.451 nan 8.360 nan 0.000 0.420 166 I N 1.831 122.331 120.570 -0.117 0.000 2.478 166 I HA 0.389 4.558 4.170 -0.001 0.000 0.287 166 I C -0.169 175.931 176.117 -0.028 0.000 1.042 166 I CA -1.171 60.076 61.300 -0.088 0.000 1.067 166 I CB 1.960 39.922 38.000 -0.064 0.000 1.233 166 I HN 0.780 nan 8.210 nan 0.000 0.431 167 A N 4.194 127.012 122.820 -0.003 0.000 2.567 167 A HA 0.001 4.321 4.320 -0.001 0.000 0.240 167 A C 1.467 179.085 177.584 0.058 0.000 1.053 167 A CA 0.103 52.176 52.037 0.060 0.000 0.755 167 A CB 0.012 19.094 19.000 0.137 0.000 0.978 167 A HN 1.131 nan 8.150 nan 0.000 0.507 168 C N 1.887 121.237 119.300 0.083 0.000 2.419 168 C HA -0.085 4.375 4.460 -0.001 0.000 0.281 168 C C 1.662 176.703 174.990 0.085 0.000 1.336 168 C CA 0.867 59.956 59.018 0.119 0.000 1.770 168 C CB -1.321 26.558 27.740 0.231 0.000 1.929 168 C HN 0.898 nan 8.230 nan 0.000 0.509 169 N N 2.235 120.981 118.700 0.076 0.000 2.322 169 N HA 0.046 4.785 4.740 -0.001 0.000 0.194 169 N C 1.046 176.584 175.510 0.047 0.000 1.126 169 N CA 0.749 53.834 53.050 0.058 0.000 0.845 169 N CB -0.680 37.841 38.487 0.057 0.000 0.976 169 N HN 0.866 nan 8.380 nan 0.000 0.475 170 I N -5.026 115.571 120.570 0.044 0.000 4.227 170 I HA 0.485 4.655 4.170 -0.001 0.000 0.334 170 I C 1.588 177.720 176.117 0.024 0.000 1.341 170 I CA -0.379 60.940 61.300 0.031 0.000 1.123 170 I CB 0.285 38.302 38.000 0.027 0.000 1.097 170 I HN -0.059 nan 8.210 nan 0.000 0.399 171 A N 1.154 123.991 122.820 0.028 0.000 2.024 171 A HA -0.087 4.232 4.320 -0.001 0.000 0.220 171 A C 2.262 179.865 177.584 0.031 0.000 1.164 171 A CA 2.044 54.096 52.037 0.027 0.000 0.643 171 A CB -0.564 18.455 19.000 0.031 0.000 0.806 171 A HN 0.472 nan 8.150 nan 0.000 0.451 172 S N -0.784 114.934 115.700 0.030 0.000 2.556 172 S HA 0.318 4.787 4.470 -0.001 0.000 0.216 172 S C 0.580 175.196 174.600 0.027 0.000 0.970 172 S CA -0.213 58.004 58.200 0.027 0.000 0.912 172 S CB -0.244 62.969 63.200 0.023 0.000 0.790 172 S HN 0.518 nan 8.310 nan 0.000 0.504 173 M N 2.545 122.161 119.600 0.027 0.000 2.274 173 M HA 0.306 4.786 4.480 -0.001 0.000 0.344 173 M C -2.578 173.741 176.300 0.031 0.000 1.161 173 M CA -2.083 53.232 55.300 0.025 0.000 1.126 173 M CB 0.325 32.937 32.600 0.020 0.000 1.522 173 M HN -0.196 nan 8.290 nan 0.000 0.461 174 P HA 0.119 nan 4.420 nan 0.000 0.268 174 P C -1.036 176.287 177.300 0.039 0.000 1.205 174 P CA -0.450 62.678 63.100 0.047 0.000 0.771 174 P CB 0.410 32.133 31.700 0.037 0.000 0.858 175 C N 0.094 119.432 119.300 0.063 0.000 3.336 175 C HA 0.880 5.340 4.460 -0.001 0.000 0.339 175 C C 0.135 175.167 174.990 0.069 0.000 1.468 175 C CA -1.077 57.954 59.018 0.021 0.000 1.287 175 C CB 0.970 28.674 27.740 -0.060 0.000 1.682 175 C HN 0.657 nan 8.230 nan 0.000 0.451 176 A N 0.646 123.478 122.820 0.019 0.000 2.429 176 A HA 0.576 4.896 4.320 -0.001 0.000 0.242 176 A C 0.596 178.281 177.584 0.168 0.000 1.088 176 A CA 0.542 52.620 52.037 0.069 0.000 0.784 176 A CB -0.507 18.508 19.000 0.025 0.000 1.038 176 A HN 2.410 nan 8.150 nan 0.000 0.501 177 A N 1.344 124.229 122.820 0.109 0.000 2.302 177 A HA 0.687 5.007 4.320 -0.001 0.000 0.285 177 A C -2.427 175.069 177.584 -0.146 0.000 1.105 177 A CA -1.523 50.440 52.037 -0.123 0.000 0.816 177 A CB -0.261 18.723 19.000 -0.027 0.000 1.067 177 A HN 0.646 nan 8.150 nan 0.000 0.489 178 P HA 0.377 nan 4.420 nan 0.000 0.279 178 P C 0.468 177.609 177.300 -0.265 0.000 1.239 178 P CA 0.054 62.840 63.100 -0.522 0.000 0.789 178 P CB 1.052 32.181 31.700 -0.952 0.000 0.933 179 G N 2.770 111.487 108.800 -0.138 0.000 2.494 179 G HA2 0.407 4.366 3.960 -0.001 0.000 0.270 179 G HA3 0.407 4.366 3.960 -0.001 0.000 0.270 179 G C -2.384 172.467 174.900 -0.082 0.000 1.423 179 G CA -1.244 43.808 45.100 -0.080 0.000 1.055 179 G HN 0.333 nan 8.290 nan 0.000 0.536 180 P HA 0.223 nan 4.420 nan 0.000 0.266 180 P C 0.632 177.926 177.300 -0.009 0.000 1.195 180 P CA 0.415 63.502 63.100 -0.022 0.000 0.768 180 P CB 1.012 32.709 31.700 -0.005 0.000 0.838 181 A N 2.731 125.559 122.820 0.014 0.000 1.940 181 A HA -0.195 4.124 4.320 -0.001 0.000 0.219 181 A C 2.133 179.814 177.584 0.161 0.000 1.176 181 A CA 2.146 54.227 52.037 0.073 0.000 0.631 181 A CB -1.685 17.376 19.000 0.102 0.000 0.814 181 A HN 0.624 nan 8.150 nan 0.000 0.446 182 S N 0.369 116.142 115.700 0.121 0.000 2.420 182 S HA -0.083 4.387 4.470 -0.001 0.000 0.237 182 S C 1.977 176.661 174.600 0.140 0.000 1.023 182 S CA 1.342 59.629 58.200 0.146 0.000 0.991 182 S CB -0.739 62.496 63.200 0.058 0.000 0.792 182 S HN 0.966 nan 8.310 nan 0.000 0.488 183 A N 1.900 124.763 122.820 0.071 0.000 2.019 183 A HA 0.133 4.453 4.320 -0.001 0.000 0.219 183 A C 2.223 179.809 177.584 0.004 0.000 1.164 183 A CA 1.309 53.366 52.037 0.033 0.000 0.644 183 A CB -0.754 18.251 19.000 0.009 0.000 0.805 183 A HN 0.583 nan 8.150 nan 0.000 0.449 184 L N -2.522 118.679 121.223 -0.037 0.000 2.313 184 L HA -0.014 4.325 4.340 -0.001 0.000 0.214 184 L C 1.706 178.360 176.870 -0.359 0.000 1.119 184 L CA 0.734 55.436 54.840 -0.229 0.000 0.809 184 L CB -0.313 41.519 42.059 -0.380 0.000 0.933 184 L HN 0.382 nan 8.230 nan 0.000 0.449 185 F N -1.045 118.888 119.950 -0.029 0.000 2.749 185 F HA 0.119 4.646 4.527 -0.000 0.000 0.300 185 F C 1.073 176.854 175.800 -0.031 0.000 1.103 185 F CA -0.720 57.260 58.000 -0.034 0.000 1.342 185 F CB -0.309 38.667 39.000 -0.039 0.000 1.098 185 F HN -0.018 nan 8.300 nan 0.000 0.586 186 N N 1.839 120.606 118.700 0.111 0.000 2.411 186 N HA -0.001 4.739 4.740 -0.001 0.000 0.265 186 N C -0.908 174.630 175.510 0.045 0.000 1.266 186 N CA 0.648 53.738 53.050 0.067 0.000 0.889 186 N CB 0.094 38.608 38.487 0.045 0.000 1.069 186 N HN 0.068 nan 8.380 nan 0.000 0.476 187 D N 0.545 120.973 120.400 0.045 0.000 2.596 187 D HA 0.160 4.799 4.640 -0.001 0.000 0.234 187 D C -1.023 175.319 176.300 0.071 0.000 1.181 187 D CA -0.619 53.411 54.000 0.050 0.000 0.856 187 D CB 1.060 41.881 40.800 0.035 0.000 1.498 187 D HN 0.592 nan 8.370 nan 0.000 0.446 188 E N 0.633 120.898 120.200 0.108 0.000 2.415 188 E HA 0.457 4.807 4.350 -0.001 0.000 0.262 188 E C -0.523 176.208 176.600 0.218 0.000 1.038 188 E CA -0.711 55.765 56.400 0.126 0.000 0.921 188 E CB 0.855 30.613 29.700 0.096 0.000 0.950 188 E HN 0.347 nan 8.360 nan 0.000 0.438 189 A N 2.889 125.800 122.820 0.152 0.000 2.257 189 A HA 0.301 4.620 4.320 -0.001 0.000 0.289 189 A C 0.044 177.738 177.584 0.183 0.000 1.095 189 A CA -0.656 51.488 52.037 0.178 0.000 0.836 189 A CB 0.769 19.822 19.000 0.089 0.000 1.111 189 A HN 0.642 nan 8.150 nan 0.000 0.497 190 S N 0.276 116.101 115.700 0.208 0.000 2.560 190 S HA 0.110 4.580 4.470 -0.001 0.000 0.284 190 S C 0.051 174.666 174.600 0.025 0.000 1.327 190 S CA 0.080 58.315 58.200 0.058 0.000 1.055 190 S CB 0.200 63.448 63.200 0.080 0.000 0.868 190 S HN 0.730 nan 8.310 nan 0.000 0.506 191 D N 1.355 121.750 120.400 -0.009 0.000 2.401 191 D HA 0.063 4.702 4.640 -0.001 0.000 0.254 191 D C 1.038 177.345 176.300 0.012 0.000 1.192 191 D CA 0.019 54.023 54.000 0.007 0.000 0.885 191 D CB 0.687 41.490 40.800 0.006 0.000 1.147 191 D HN 0.502 nan 8.370 nan 0.000 0.478 192 E N 3.671 123.880 120.200 0.016 0.000 2.058 192 E HA -0.202 4.148 4.350 -0.001 0.000 0.194 192 E C 1.815 178.419 176.600 0.007 0.000 0.997 192 E CA 1.815 58.222 56.400 0.012 0.000 0.801 192 E CB -0.344 29.363 29.700 0.012 0.000 0.746 192 E HN 0.583 nan 8.360 nan 0.000 0.450 193 A N -0.227 122.602 122.820 0.015 0.000 1.902 193 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 193 A C 2.438 180.037 177.584 0.024 0.000 1.181 193 A CA 2.038 54.088 52.037 0.022 0.000 0.623 193 A CB -0.735 18.286 19.000 0.035 0.000 0.818 193 A HN 0.295 nan 8.150 nan 0.000 0.443 194 S N -0.560 115.164 115.700 0.040 0.000 2.368 194 S HA -0.111 4.359 4.470 -0.001 0.000 0.224 194 S C 1.868 176.415 174.600 -0.088 0.000 1.029 194 S CA 1.301 59.539 58.200 0.064 0.000 0.988 194 S CB -0.440 62.826 63.200 0.109 0.000 0.838 194 S HN 0.518 nan 8.310 nan 0.000 0.462 195 L N 3.060 124.252 121.223 -0.051 0.000 1.989 195 L HA -0.094 4.246 4.340 -0.001 0.000 0.211 195 L C 1.706 178.524 176.870 -0.087 0.000 1.071 195 L CA 1.823 56.632 54.840 -0.052 0.000 0.749 195 L CB -1.078 40.979 42.059 -0.002 0.000 0.890 195 L HN 0.146 nan 8.230 nan 0.000 0.431 196 N N 0.229 118.887 118.700 -0.069 0.000 2.120 196 N HA -0.145 4.595 4.740 -0.001 0.000 0.188 196 N C 1.813 177.249 175.510 -0.123 0.000 1.024 196 N CA 1.677 54.685 53.050 -0.070 0.000 0.852 196 N CB -0.478 37.989 38.487 -0.034 0.000 1.003 196 N HN 0.557 nan 8.380 nan 0.000 0.424 197 A N 1.004 123.723 122.820 -0.169 0.000 1.930 197 A HA 0.063 4.383 4.320 -0.001 0.000 0.217 197 A C 2.381 179.603 177.584 -0.604 0.000 1.175 197 A CA 1.788 53.686 52.037 -0.231 0.000 0.627 197 A CB -0.713 18.273 19.000 -0.024 0.000 0.815 197 A HN 0.318 nan 8.150 nan 0.000 0.443 198 A N -0.537 121.698 122.820 -0.975 0.000 1.902 198 A HA -0.003 4.317 4.320 -0.001 0.000 0.217 198 A C 2.223 179.663 177.584 -0.240 0.000 1.181 198 A CA 1.791 53.217 52.037 -1.019 0.000 0.623 198 A CB -0.895 17.654 19.000 -0.752 0.000 0.818 198 A HN 0.374 nan 8.150 nan 0.000 0.443 199 V N 0.046 119.898 119.914 -0.104 0.000 2.358 199 V HA -0.191 3.929 4.120 -0.001 0.000 0.246 199 V C 2.607 178.677 176.094 -0.040 0.000 1.047 199 V CA 2.075 64.347 62.300 -0.047 0.000 1.035 199 V CB -0.653 31.113 31.823 -0.096 0.000 0.658 199 V HN 0.490 nan 8.190 nan 0.000 0.452 200 E N -0.146 120.020 120.200 -0.058 0.000 2.110 200 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 200 E C 2.315 178.932 176.600 0.028 0.000 0.988 200 E CA 0.886 57.278 56.400 -0.012 0.000 0.804 200 E CB -0.146 29.546 29.700 -0.014 0.000 0.745 200 E HN 0.573 nan 8.360 nan 0.000 0.458 201 E N -0.162 120.049 120.200 0.018 0.000 2.152 201 E HA -0.069 4.280 4.350 -0.001 0.000 0.192 201 E C 2.039 178.724 176.600 0.141 0.000 0.983 201 E CA 0.815 57.276 56.400 0.103 0.000 0.818 201 E CB -0.234 29.567 29.700 0.169 0.000 0.758 201 E HN 0.222 nan 8.360 nan 0.000 0.467 202 T N 1.989 116.610 114.554 0.112 0.000 2.777 202 T HA -0.064 4.285 4.350 -0.001 0.000 0.266 202 T C 2.151 176.963 174.700 0.187 0.000 1.040 202 T CA 0.724 62.924 62.100 0.166 0.000 1.141 202 T CB -0.191 68.769 68.868 0.153 0.000 0.868 202 T HN 0.094 nan 8.240 nan 0.000 0.444 203 L N 0.387 121.679 121.223 0.115 0.000 2.046 203 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 203 L C 2.653 179.587 176.870 0.106 0.000 1.077 203 L CA 1.439 56.337 54.840 0.097 0.000 0.747 203 L CB -0.498 41.594 42.059 0.055 0.000 0.896 203 L HN 0.209 nan 8.230 nan 0.000 0.432 204 K N -0.570 119.901 120.400 0.117 0.000 2.097 204 K HA -0.199 4.120 4.320 -0.001 0.000 0.206 204 K C 2.014 178.700 176.600 0.143 0.000 1.049 204 K CA 1.443 57.797 56.287 0.112 0.000 0.933 204 K CB -0.208 32.361 32.500 0.115 0.000 0.717 204 K HN 0.078 nan 8.250 nan 0.000 0.442 205 F N 1.650 121.631 119.950 0.051 0.000 2.146 205 F HA -0.073 4.454 4.527 -0.001 0.000 0.298 205 F C 1.666 177.494 175.800 0.046 0.000 1.096 205 F CA 1.119 59.150 58.000 0.052 0.000 1.275 205 F CB 0.046 39.085 39.000 0.065 0.000 1.008 205 F HN -0.053 nan 8.300 nan 0.000 0.480 206 I N -1.984 118.639 120.570 0.088 0.000 3.793 206 I HA 0.333 4.503 4.170 -0.001 0.000 0.315 206 I C 1.902 178.003 176.117 -0.026 0.000 1.275 206 I CA 0.646 61.942 61.300 -0.007 0.000 1.214 206 I CB -0.868 37.201 38.000 0.115 0.000 1.018 206 I HN 0.055 nan 8.210 nan 0.000 0.439 207 A N 2.495 125.305 122.820 -0.017 0.000 1.873 207 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 207 A C 1.701 179.264 177.584 -0.034 0.000 1.193 207 A CA 1.850 53.881 52.037 -0.011 0.000 0.629 207 A CB -0.779 18.221 19.000 0.000 0.000 0.826 207 A HN 0.687 nan 8.150 nan 0.000 0.447 208 N N -0.298 118.361 118.700 -0.069 0.000 2.453 208 N HA 0.192 4.931 4.740 -0.001 0.000 0.270 208 N C -0.901 174.550 175.510 -0.099 0.000 1.195 208 N CA -0.061 52.948 53.050 -0.070 0.000 0.902 208 N CB 0.440 38.890 38.487 -0.062 0.000 1.186 208 N HN 0.334 nan 8.380 nan 0.000 0.510 209 R N 0.520 120.958 120.500 -0.103 0.000 2.487 209 R HA 0.091 4.430 4.340 -0.001 0.000 0.288 209 R C -0.217 176.052 176.300 -0.052 0.000 1.394 209 R CA -0.396 55.640 56.100 -0.107 0.000 1.155 209 R CB 1.256 31.446 30.300 -0.184 0.000 1.156 209 R HN 0.034 nan 8.270 nan 0.000 0.553 210 D N 2.024 122.403 120.400 -0.035 0.000 2.149 210 D HA -0.077 4.563 4.640 -0.001 0.000 0.201 210 D C -0.146 176.152 176.300 -0.003 0.000 0.972 210 D CA 1.194 55.187 54.000 -0.011 0.000 0.835 210 D CB 0.529 41.327 40.800 -0.003 0.000 0.966 210 D HN 0.168 nan 8.370 nan 0.000 0.476 211 K N 0.569 120.958 120.400 -0.017 0.000 2.150 211 K HA 0.241 4.561 4.320 -0.001 0.000 0.261 211 K C -0.992 175.607 176.600 -0.002 0.000 1.127 211 K CA -0.274 56.005 56.287 -0.014 0.000 0.989 211 K CB 1.487 33.947 32.500 -0.066 0.000 1.475 211 K HN -0.058 nan 8.250 nan 0.000 0.391 212 V N 2.629 122.555 119.914 0.020 0.000 2.350 212 V HA 0.362 4.482 4.120 -0.001 0.000 0.276 212 V C 0.125 176.241 176.094 0.036 0.000 1.028 212 V CA -0.854 61.472 62.300 0.045 0.000 0.860 212 V CB 1.189 33.049 31.823 0.062 0.000 0.990 212 V HN 0.695 nan 8.190 nan 0.000 0.453 213 A N 5.009 127.856 122.820 0.046 0.000 2.312 213 A HA 0.845 5.164 4.320 -0.001 0.000 0.326 213 A C -0.566 177.047 177.584 0.048 0.000 1.172 213 A CA -0.539 51.513 52.037 0.025 0.000 0.821 213 A CB 1.426 20.438 19.000 0.020 0.000 1.166 213 A HN 0.628 nan 8.150 nan 0.000 0.493 214 V N 2.645 122.564 119.914 0.008 0.000 2.398 214 V HA 0.387 4.506 4.120 -0.001 0.000 0.286 214 V C -0.660 175.426 176.094 -0.013 0.000 1.026 214 V CA -0.400 61.924 62.300 0.040 0.000 0.868 214 V CB 1.185 33.025 31.823 0.029 0.000 0.982 214 V HN 0.742 nan 8.190 nan 0.000 0.443 215 L N 6.756 128.000 121.223 0.035 0.000 2.294 215 L HA 0.560 4.900 4.340 -0.001 0.000 0.283 215 L C -0.298 176.576 176.870 0.008 0.000 1.015 215 L CA 0.054 54.904 54.840 0.017 0.000 0.831 215 L CB 1.553 43.659 42.059 0.079 0.000 1.217 215 L HN 0.452 nan 8.230 nan 0.000 0.420 216 V N 5.383 125.280 119.914 -0.028 0.000 2.455 216 V HA 0.603 4.722 4.120 -0.001 0.000 0.273 216 V C 0.991 177.072 176.094 -0.022 0.000 1.045 216 V CA 0.057 62.362 62.300 0.009 0.000 0.976 216 V CB 0.654 32.502 31.823 0.041 0.000 0.993 216 V HN 0.886 nan 8.190 nan 0.000 0.475 217 G N 2.690 111.484 108.800 -0.011 0.000 2.521 217 G HA2 0.438 4.398 3.960 -0.001 0.000 0.323 217 G HA3 0.438 4.398 3.960 -0.001 0.000 0.323 217 G C 0.813 175.719 174.900 0.010 0.000 1.211 217 G CA 0.158 45.207 45.100 -0.086 0.000 0.979 217 G HN 0.791 nan 8.290 nan 0.000 0.490 218 S N -1.311 114.346 115.700 -0.073 0.000 2.603 218 S HA 0.053 4.522 4.470 -0.001 0.000 0.220 218 S C 1.274 175.999 174.600 0.208 0.000 0.967 218 S CA 0.353 58.564 58.200 0.018 0.000 0.920 218 S CB 0.067 63.173 63.200 -0.157 0.000 0.773 218 S HN 0.500 nan 8.310 nan 0.000 0.529 219 K N 0.240 120.697 120.400 0.095 0.000 2.397 219 K HA 0.351 4.671 4.320 -0.001 0.000 0.202 219 K C 1.122 177.743 176.600 0.035 0.000 1.022 219 K CA -0.186 56.134 56.287 0.054 0.000 1.141 219 K CB 0.068 32.561 32.500 -0.011 0.000 0.857 219 K HN 0.179 nan 8.250 nan 0.000 0.514 220 L N 1.403 122.679 121.223 0.090 0.000 2.083 220 L HA -0.113 4.226 4.340 -0.001 0.000 0.209 220 L C 2.308 179.087 176.870 -0.152 0.000 1.083 220 L CA 1.716 56.561 54.840 0.009 0.000 0.752 220 L CB -0.198 41.925 42.059 0.107 0.000 0.899 220 L HN 0.099 nan 8.230 nan 0.000 0.433 221 R N -0.755 119.517 120.500 -0.380 0.000 2.075 221 R HA -0.112 4.228 4.340 -0.001 0.000 0.232 221 R C 2.160 178.341 176.300 -0.199 0.000 1.126 221 R CA 1.229 57.075 56.100 -0.423 0.000 0.963 221 R CB -0.348 29.528 30.300 -0.706 0.000 0.858 221 R HN 0.434 nan 8.270 nan 0.000 0.435 222 A N 0.616 123.362 122.820 -0.125 0.000 1.972 222 A HA -0.075 4.245 4.320 -0.001 0.000 0.219 222 A C 2.182 179.732 177.584 -0.057 0.000 1.169 222 A CA 1.612 53.606 52.037 -0.071 0.000 0.635 222 A CB -0.566 18.406 19.000 -0.048 0.000 0.810 222 A HN 0.522 nan 8.150 nan 0.000 0.446 223 A N -1.511 121.278 122.820 -0.052 0.000 2.208 223 A HA 0.404 4.724 4.320 -0.001 0.000 0.209 223 A C 1.758 179.316 177.584 -0.043 0.000 1.161 223 A CA 1.113 53.134 52.037 -0.026 0.000 0.782 223 A CB -1.060 17.938 19.000 -0.004 0.000 0.816 223 A HN 1.873 nan 8.150 nan 0.000 0.477 224 G N -1.674 107.081 108.800 -0.075 0.000 2.305 224 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.287 224 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.287 224 G C 0.618 175.479 174.900 -0.066 0.000 1.036 224 G CA 0.442 45.493 45.100 -0.082 0.000 0.887 224 G HN 1.569 nan 8.290 nan 0.000 0.505 225 A N -1.143 121.644 122.820 -0.056 0.000 2.564 225 A HA 0.601 4.920 4.320 -0.001 0.000 0.279 225 A C 1.442 179.023 177.584 -0.005 0.000 1.232 225 A CA 1.014 53.041 52.037 -0.017 0.000 0.950 225 A CB 0.193 19.201 19.000 0.015 0.000 1.138 225 A HN 0.493 nan 8.150 nan 0.000 0.526 226 E N 0.256 120.426 120.200 -0.049 0.000 2.051 226 E HA -0.229 4.121 4.350 -0.001 0.000 0.192 226 E C 1.778 178.364 176.600 -0.024 0.000 0.991 226 E CA 1.442 57.820 56.400 -0.037 0.000 0.799 226 E CB -0.012 29.621 29.700 -0.112 0.000 0.748 226 E HN 0.790 nan 8.360 nan 0.000 0.449 227 E N 0.510 120.683 120.200 -0.045 0.000 2.077 227 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 227 E C 2.011 178.608 176.600 -0.004 0.000 0.989 227 E CA 0.958 57.332 56.400 -0.044 0.000 0.800 227 E CB -0.057 29.613 29.700 -0.050 0.000 0.746 227 E HN 0.217 nan 8.360 nan 0.000 0.452 228 A N 0.980 123.809 122.820 0.016 0.000 2.015 228 A HA -0.036 4.283 4.320 -0.001 0.000 0.219 228 A C 2.316 179.970 177.584 0.118 0.000 1.163 228 A CA 1.497 53.563 52.037 0.047 0.000 0.646 228 A CB -0.542 18.476 19.000 0.029 0.000 0.806 228 A HN 0.406 nan 8.150 nan 0.000 0.448 229 A N -0.480 122.428 122.820 0.147 0.000 1.930 229 A HA 0.032 4.352 4.320 -0.001 0.000 0.217 229 A C 2.177 179.969 177.584 0.346 0.000 1.175 229 A CA 1.691 53.897 52.037 0.282 0.000 0.627 229 A CB -0.746 18.439 19.000 0.309 0.000 0.815 229 A HN 0.364 nan 8.150 nan 0.000 0.443 230 V N 0.323 120.337 119.914 0.168 0.000 2.358 230 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 230 V C 2.412 178.553 176.094 0.079 0.000 1.047 230 V CA 2.147 64.483 62.300 0.059 0.000 1.035 230 V CB -0.653 31.076 31.823 -0.157 0.000 0.658 230 V HN 0.501 nan 8.190 nan 0.000 0.452 231 K N -0.489 119.954 120.400 0.071 0.000 2.057 231 K HA -0.199 4.120 4.320 -0.001 0.000 0.207 231 K C 2.149 178.803 176.600 0.089 0.000 1.049 231 K CA 1.849 58.173 56.287 0.061 0.000 0.931 231 K CB -0.414 32.116 32.500 0.050 0.000 0.714 231 K HN 0.478 nan 8.250 nan 0.000 0.440 232 F N 1.754 121.704 119.950 0.000 0.000 2.134 232 F HA -0.134 4.392 4.527 -0.001 0.000 0.299 232 F C 2.129 177.910 175.800 -0.032 0.000 1.097 232 F CA 1.327 59.312 58.000 -0.025 0.000 1.264 232 F CB -0.420 38.564 39.000 -0.027 0.000 1.001 232 F HN -0.055 nan 8.300 nan 0.000 0.479 233 A N -0.193 122.466 122.820 -0.267 0.000 1.968 233 A HA -0.092 4.228 4.320 -0.001 0.000 0.217 233 A C 1.910 179.179 177.584 -0.526 0.000 1.169 233 A CA 1.535 53.291 52.037 -0.469 0.000 0.638 233 A CB -0.869 18.092 19.000 -0.065 0.000 0.812 233 A HN 0.408 nan 8.150 nan 0.000 0.446 234 D N 0.395 120.657 120.400 -0.231 0.000 2.117 234 D HA -0.062 4.578 4.640 -0.001 0.000 0.197 234 D C 2.185 178.395 176.300 -0.149 0.000 0.987 234 D CA 1.544 55.476 54.000 -0.114 0.000 0.829 234 D CB -0.341 40.481 40.800 0.036 0.000 0.961 234 D HN 0.418 nan 8.370 nan 0.000 0.460 235 A N 0.371 123.089 122.820 -0.170 0.000 1.929 235 A HA -0.081 4.238 4.320 -0.001 0.000 0.216 235 A C 2.141 179.603 177.584 -0.202 0.000 1.176 235 A CA 0.798 52.756 52.037 -0.132 0.000 0.628 235 A CB -0.583 18.375 19.000 -0.069 0.000 0.816 235 A HN 0.239 nan 8.150 nan 0.000 0.444 236 L N -0.705 120.275 121.223 -0.405 0.000 2.072 236 L HA 0.175 4.515 4.340 -0.001 0.000 0.205 236 L C 1.727 178.440 176.870 -0.261 0.000 1.079 236 L CA 2.042 56.645 54.840 -0.394 0.000 0.752 236 L CB -0.541 41.090 42.059 -0.712 0.000 0.906 236 L HN 0.735 nan 8.230 nan 0.000 0.436 237 G N -1.425 107.164 108.800 -0.351 0.000 2.153 237 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.252 237 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.252 237 G C 0.647 175.525 174.900 -0.037 0.000 0.994 237 G CA 0.303 45.326 45.100 -0.129 0.000 0.698 237 G HN 0.866 nan 8.290 nan 0.000 0.521 238 G N -0.684 108.011 108.800 -0.175 0.000 2.535 238 G HA2 0.785 4.744 3.960 -0.001 0.000 0.303 238 G HA3 0.785 4.744 3.960 -0.001 0.000 0.303 238 G C 0.430 175.318 174.900 -0.020 0.000 1.237 238 G CA 0.217 45.278 45.100 -0.065 0.000 0.986 238 G HN 1.503 nan 8.290 nan 0.000 0.494 239 A N -0.994 121.819 122.820 -0.010 0.000 2.401 239 A HA 0.551 4.870 4.320 -0.001 0.000 0.259 239 A C -0.292 177.219 177.584 -0.122 0.000 1.103 239 A CA -0.212 51.792 52.037 -0.056 0.000 0.789 239 A CB 0.652 19.613 19.000 -0.066 0.000 1.035 239 A HN 0.811 nan 8.150 nan 0.000 0.491 240 V N 1.818 121.624 119.914 -0.180 0.000 2.444 240 V HA 0.679 4.799 4.120 -0.001 0.000 0.294 240 V C 0.367 176.282 176.094 -0.299 0.000 1.022 240 V CA -0.135 61.999 62.300 -0.278 0.000 0.850 240 V CB 1.181 32.684 31.823 -0.533 0.000 0.992 240 V HN 1.222 nan 8.190 nan 0.000 0.426 241 A N 3.213 125.888 122.820 -0.242 0.000 2.374 241 A HA 0.922 5.242 4.320 -0.001 0.000 0.317 241 A C 0.059 177.583 177.584 -0.100 0.000 1.094 241 A CA -0.553 51.345 52.037 -0.231 0.000 0.765 241 A CB 1.687 20.566 19.000 -0.201 0.000 1.268 241 A HN 0.879 nan 8.150 nan 0.000 0.438 242 T N 0.184 114.724 114.554 -0.022 0.000 2.867 242 T HA 0.628 4.977 4.350 -0.001 0.000 0.282 242 T C 0.306 174.925 174.700 -0.136 0.000 1.000 242 T CA -0.551 61.526 62.100 -0.038 0.000 1.042 242 T CB 0.547 69.427 68.868 0.019 0.000 0.973 242 T HN 0.545 nan 8.240 nan 0.000 0.465 243 M N 2.063 121.553 119.600 -0.182 0.000 2.232 243 M HA 0.338 4.818 4.480 -0.001 0.000 0.321 243 M C 1.946 177.961 176.300 -0.474 0.000 1.101 243 M CA -0.537 54.585 55.300 -0.296 0.000 1.181 243 M CB 0.358 32.787 32.600 -0.286 0.000 1.432 243 M HN 0.947 nan 8.290 nan 0.000 0.457 244 A N 1.801 124.135 122.820 -0.810 0.000 1.884 244 A HA -0.187 4.133 4.320 -0.001 0.000 0.219 244 A C 2.080 179.153 177.584 -0.852 0.000 1.197 244 A CA 2.476 53.843 52.037 -1.116 0.000 0.637 244 A CB -1.176 16.358 19.000 -2.443 0.000 0.827 244 A HN 0.959 nan 8.150 nan 0.000 0.450 245 A N -1.223 121.112 122.820 -0.808 0.000 2.209 245 A HA 0.435 4.755 4.320 -0.001 0.000 0.212 245 A C 1.838 179.061 177.584 -0.602 0.000 1.158 245 A CA 1.287 52.949 52.037 -0.626 0.000 0.742 245 A CB -0.554 18.118 19.000 -0.546 0.000 0.790 245 A HN 1.133 nan 8.150 nan 0.000 0.472 246 A N -0.616 121.832 122.820 -0.621 0.000 2.423 246 A HA 0.358 4.678 4.320 -0.001 0.000 0.246 246 A C 0.820 177.980 177.584 -0.708 0.000 1.278 246 A CA -0.197 51.321 52.037 -0.865 0.000 0.903 246 A CB -0.343 18.430 19.000 -0.377 0.000 0.997 246 A HN 0.259 nan 8.150 nan 0.000 0.510 247 K N 1.361 121.477 120.400 -0.473 0.000 2.466 247 K HA 0.154 4.474 4.320 -0.001 0.000 0.278 247 K C 1.013 177.469 176.600 -0.240 0.000 1.048 247 K CA 1.279 57.411 56.287 -0.258 0.000 1.088 247 K CB -0.167 32.259 32.500 -0.124 0.000 0.884 247 K HN 1.071 nan 8.250 nan 0.000 0.478 248 S N 2.706 118.354 115.700 -0.088 0.000 2.765 248 S HA -0.150 4.320 4.470 -0.001 0.000 0.266 248 S C 0.725 175.468 174.600 0.237 0.000 1.302 248 S CA 0.756 58.971 58.200 0.024 0.000 1.274 248 S CB -2.209 60.997 63.200 0.009 0.000 1.559 248 S HN 0.498 nan 8.310 nan 0.000 0.658 249 F N 1.049 120.975 119.950 -0.041 0.000 2.748 249 F HA 0.586 5.113 4.527 -0.001 0.000 0.299 249 F C 0.802 176.635 175.800 0.055 0.000 1.154 249 F CA -0.384 57.612 58.000 -0.005 0.000 1.446 249 F CB -0.290 38.712 39.000 0.004 0.000 1.112 249 F HN 0.510 nan 8.300 nan 0.000 0.584 250 F N 0.467 120.430 119.950 0.022 0.000 2.591 250 F HA 0.520 5.047 4.527 -0.001 0.000 0.309 250 F C -2.695 172.961 175.800 -0.241 0.000 1.098 250 F CA -2.910 55.037 58.000 -0.089 0.000 0.937 250 F CB 1.569 40.522 39.000 -0.078 0.000 1.250 250 F HN -0.333 nan 8.300 nan 0.000 0.447 251 P HA 0.147 nan 4.420 nan 0.000 0.266 251 P C -0.304 176.806 177.300 -0.316 0.000 1.215 251 P CA 0.287 63.139 63.100 -0.413 0.000 0.763 251 P CB 0.581 32.006 31.700 -0.458 0.000 0.806 252 E N 1.894 121.921 120.200 -0.289 0.000 2.435 252 E HA -0.104 4.245 4.350 -0.001 0.000 0.195 252 E C 0.720 177.353 176.600 0.055 0.000 1.029 252 E CA 0.634 56.877 56.400 -0.262 0.000 0.865 252 E CB 0.124 29.734 29.700 -0.151 0.000 0.833 252 E HN 0.630 nan 8.360 nan 0.000 0.510 253 E N 0.978 121.182 120.200 0.007 0.000 2.478 253 E HA -0.007 4.343 4.350 -0.001 0.000 0.194 253 E C 0.585 177.220 176.600 0.058 0.000 1.045 253 E CA -0.260 56.167 56.400 0.045 0.000 0.868 253 E CB 0.141 29.846 29.700 0.008 0.000 0.885 253 E HN 0.086 nan 8.360 nan 0.000 0.505 254 N N 2.367 121.108 118.700 0.069 0.000 2.454 254 N HA -0.030 4.710 4.740 -0.001 0.000 0.260 254 N C -1.585 174.016 175.510 0.152 0.000 1.218 254 N CA -0.987 52.132 53.050 0.116 0.000 0.904 254 N CB 1.059 39.653 38.487 0.180 0.000 1.065 254 N HN -0.084 nan 8.380 nan 0.000 0.462 255 P HA -0.100 nan 4.420 nan 0.000 0.228 255 P C 0.332 177.537 177.300 -0.158 0.000 1.151 255 P CA 1.255 64.294 63.100 -0.101 0.000 0.770 255 P CB 0.095 31.660 31.700 -0.224 0.000 0.786 256 H N -2.831 116.333 119.070 0.156 0.000 2.592 256 H HA 0.064 4.619 4.556 -0.001 0.000 0.265 256 H C 0.329 175.701 175.328 0.073 0.000 0.955 256 H CA -0.261 55.847 56.048 0.101 0.000 1.175 256 H CB -0.247 29.569 29.762 0.090 0.000 1.433 256 H HN 0.157 nan 8.280 nan 0.000 0.537 257 Y N 2.766 123.147 120.300 0.135 0.000 2.402 257 Y HA 0.085 4.635 4.550 -0.001 0.000 0.333 257 Y C 1.390 177.226 175.900 -0.106 0.000 1.076 257 Y CA -0.619 57.493 58.100 0.021 0.000 1.299 257 Y CB 0.298 38.869 38.460 0.183 0.000 1.197 257 Y HN 0.092 nan 8.280 nan 0.000 0.517 258 I N 2.725 122.804 120.570 -0.817 0.000 4.018 258 I HA 0.629 4.798 4.170 -0.001 0.000 0.337 258 I C 0.804 176.407 176.117 -0.856 0.000 1.327 258 I CA 0.452 61.199 61.300 -0.923 0.000 1.100 258 I CB -0.040 37.150 38.000 -1.351 0.000 1.025 258 I HN 0.787 nan 8.210 nan 0.000 0.396 259 G N 1.224 109.137 108.800 -1.478 0.000 2.396 259 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.254 259 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.254 259 G C -0.548 173.840 174.900 -0.854 0.000 1.248 259 G CA -0.348 44.037 45.100 -1.191 0.000 1.033 259 G HN 0.141 nan 8.290 nan 0.000 0.502 260 T N 0.797 114.782 114.554 -0.948 0.000 2.832 260 T HA 0.531 4.881 4.350 -0.001 0.000 0.296 260 T C 0.473 175.120 174.700 -0.087 0.000 0.968 260 T CA 0.861 62.732 62.100 -0.383 0.000 1.107 260 T CB 1.328 70.061 68.868 -0.225 0.000 0.916 260 T HN 1.108 nan 8.240 nan 0.000 0.517 261 S N 3.309 118.985 115.700 -0.040 0.000 2.420 261 S HA 0.451 4.920 4.470 -0.001 0.000 0.313 261 S C -1.171 173.543 174.600 0.191 0.000 1.079 261 S CA -0.654 57.591 58.200 0.075 0.000 1.104 261 S CB 0.072 63.292 63.200 0.034 0.000 0.969 261 S HN 0.764 nan 8.310 nan 0.000 0.471 262 W N 5.497 126.830 121.300 0.056 0.000 1.067 262 W HA 0.393 5.053 4.660 -0.001 0.000 0.313 262 W C 0.546 177.141 176.519 0.127 0.000 0.868 262 W CA -0.351 57.040 57.345 0.077 0.000 1.561 262 W CB -0.039 29.449 29.460 0.046 0.000 1.608 262 W HN 1.105 nan 8.180 nan 0.000 0.485 263 G N 2.384 111.382 108.800 0.330 0.000 2.611 263 G HA2 -0.422 3.538 3.960 -0.001 0.000 0.301 263 G HA3 -0.422 3.538 3.960 -0.001 0.000 0.301 263 G C 1.056 176.042 174.900 0.144 0.000 1.233 263 G CA 1.102 46.324 45.100 0.203 0.000 0.993 263 G HN 0.580 nan 8.290 nan 0.000 0.553 264 E N 0.392 120.643 120.200 0.085 0.000 2.511 264 E HA 0.166 4.516 4.350 -0.001 0.000 0.196 264 E C 1.723 178.351 176.600 0.046 0.000 1.066 264 E CA 1.293 57.727 56.400 0.058 0.000 0.871 264 E CB -0.041 29.675 29.700 0.026 0.000 0.863 264 E HN 1.305 nan 8.360 nan 0.000 0.520 265 V N -1.550 118.389 119.914 0.042 0.000 3.006 265 V HA 0.309 4.429 4.120 -0.001 0.000 0.357 265 V C 0.171 176.388 176.094 0.205 0.000 1.377 265 V CA -0.797 61.533 62.300 0.051 0.000 1.198 265 V CB 0.126 31.892 31.823 -0.096 0.000 1.216 265 V HN 0.027 nan 8.190 nan 0.000 0.520 266 S N 0.436 116.278 115.700 0.237 0.000 2.600 266 S HA 0.518 4.988 4.470 -0.001 0.000 0.265 266 S C -0.191 174.622 174.600 0.355 0.000 1.325 266 S CA -0.116 58.269 58.200 0.308 0.000 1.002 266 S CB 0.349 63.692 63.200 0.238 0.000 0.921 266 S HN 0.474 nan 8.310 nan 0.000 0.554 267 Y N 1.754 122.127 120.300 0.121 0.000 2.550 267 Y HA 0.178 4.728 4.550 -0.001 0.000 0.343 267 Y C -1.939 174.036 175.900 0.126 0.000 1.245 267 Y CA -1.879 56.285 58.100 0.107 0.000 1.462 267 Y CB -0.770 37.734 38.460 0.073 0.000 1.340 267 Y HN 0.396 nan 8.280 nan 0.000 0.604 268 P HA 0.054 nan 4.420 nan 0.000 0.260 268 P C 0.684 178.122 177.300 0.230 0.000 1.172 268 P CA 1.945 65.132 63.100 0.146 0.000 0.760 268 P CB 0.248 31.986 31.700 0.063 0.000 0.773 269 G N 1.710 110.616 108.800 0.177 0.000 2.267 269 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.257 269 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.257 269 G C 1.036 176.163 174.900 0.378 0.000 0.998 269 G CA 0.301 45.525 45.100 0.207 0.000 0.620 269 G HN 0.404 nan 8.290 nan 0.000 0.529 270 V N 0.845 120.969 119.914 0.351 0.000 2.379 270 V HA -0.068 4.052 4.120 -0.001 0.000 0.245 270 V C 2.446 178.657 176.094 0.195 0.000 1.044 270 V CA 2.802 65.246 62.300 0.239 0.000 1.036 270 V CB -0.279 31.621 31.823 0.129 0.000 0.664 270 V HN 0.625 nan 8.190 nan 0.000 0.453 271 E N 0.413 120.724 120.200 0.185 0.000 2.058 271 E HA -0.310 4.040 4.350 -0.001 0.000 0.194 271 E C 2.302 178.998 176.600 0.161 0.000 0.997 271 E CA 1.803 58.297 56.400 0.157 0.000 0.801 271 E CB -0.100 29.685 29.700 0.141 0.000 0.746 271 E HN 0.528 nan 8.360 nan 0.000 0.450 272 K N -0.582 119.936 120.400 0.197 0.000 2.097 272 K HA -0.094 4.225 4.320 -0.001 0.000 0.205 272 K C 2.041 178.826 176.600 0.308 0.000 1.050 272 K CA 1.659 58.089 56.287 0.238 0.000 0.938 272 K CB 0.038 32.694 32.500 0.261 0.000 0.718 272 K HN 0.106 nan 8.250 nan 0.000 0.442 273 T N 1.249 116.026 114.554 0.373 0.000 2.777 273 T HA -0.111 4.239 4.350 -0.001 0.000 0.266 273 T C 1.721 176.492 174.700 0.117 0.000 1.040 273 T CA 1.104 63.419 62.100 0.358 0.000 1.141 273 T CB -0.023 69.103 68.868 0.431 0.000 0.868 273 T HN 0.145 nan 8.240 nan 0.000 0.444 274 M N 1.140 120.805 119.600 0.108 0.000 2.159 274 M HA 0.009 4.489 4.480 -0.001 0.000 0.263 274 M C 2.204 178.525 176.300 0.034 0.000 1.063 274 M CA 1.346 56.683 55.300 0.062 0.000 1.110 274 M CB -0.951 31.695 32.600 0.076 0.000 1.374 274 M HN 0.204 nan 8.290 nan 0.000 0.411 275 K N 0.192 120.617 120.400 0.043 0.000 2.148 275 K HA -0.134 4.186 4.320 -0.001 0.000 0.204 275 K C 1.529 178.100 176.600 -0.048 0.000 1.050 275 K CA 0.966 57.263 56.287 0.017 0.000 0.942 275 K CB 0.272 32.799 32.500 0.046 0.000 0.724 275 K HN 0.163 nan 8.250 nan 0.000 0.446 276 E N 0.399 120.517 120.200 -0.137 0.000 2.385 276 E HA 0.057 4.406 4.350 -0.001 0.000 0.194 276 E C 0.185 176.624 176.600 -0.268 0.000 1.013 276 E CA 0.169 56.382 56.400 -0.313 0.000 0.866 276 E CB 0.198 29.398 29.700 -0.834 0.000 0.832 276 E HN 0.311 nan 8.360 nan 0.000 0.500 277 A N 1.829 124.553 122.820 -0.160 0.000 2.531 277 A HA -0.036 4.283 4.320 -0.001 0.000 0.236 277 A C 0.719 178.267 177.584 -0.061 0.000 1.062 277 A CA 0.091 52.073 52.037 -0.092 0.000 0.760 277 A CB 0.284 19.272 19.000 -0.021 0.000 0.995 277 A HN -0.080 nan 8.150 nan 0.000 0.501 278 D N 0.579 120.947 120.400 -0.052 0.000 2.249 278 D HA 0.252 4.891 4.640 -0.001 0.000 0.205 278 D C 0.611 176.910 176.300 -0.003 0.000 0.962 278 D CA 1.749 55.720 54.000 -0.048 0.000 0.860 278 D CB 0.140 40.895 40.800 -0.075 0.000 0.955 278 D HN 0.707 nan 8.370 nan 0.000 0.505 279 A N 0.271 123.121 122.820 0.050 0.000 2.488 279 A HA 0.550 4.870 4.320 -0.001 0.000 0.298 279 A C -1.155 176.519 177.584 0.151 0.000 1.044 279 A CA -0.555 51.584 52.037 0.170 0.000 0.693 279 A CB 1.993 21.124 19.000 0.218 0.000 1.272 279 A HN -0.103 nan 8.150 nan 0.000 0.402 280 V N 3.392 123.410 119.914 0.173 0.000 2.407 280 V HA 0.375 4.495 4.120 -0.001 0.000 0.291 280 V C -0.438 175.746 176.094 0.151 0.000 1.018 280 V CA -0.161 62.220 62.300 0.135 0.000 0.842 280 V CB 1.375 33.262 31.823 0.107 0.000 0.996 280 V HN 0.729 nan 8.190 nan 0.000 0.426 281 I N 4.673 125.338 120.570 0.159 0.000 2.287 281 I HA 0.516 4.686 4.170 -0.001 0.000 0.290 281 I C 0.677 176.877 176.117 0.139 0.000 1.069 281 I CA -0.233 61.165 61.300 0.162 0.000 1.237 281 I CB 1.234 39.372 38.000 0.230 0.000 1.418 281 I HN 0.662 nan 8.210 nan 0.000 0.481 282 A N 8.312 131.207 122.820 0.125 0.000 2.269 282 A HA 0.618 4.937 4.320 -0.001 0.000 0.302 282 A C -0.204 177.422 177.584 0.069 0.000 1.266 282 A CA -0.437 51.672 52.037 0.120 0.000 0.894 282 A CB 0.175 19.304 19.000 0.214 0.000 1.147 282 A HN 0.738 nan 8.150 nan 0.000 0.537 283 L N 2.789 124.044 121.223 0.054 0.000 2.270 283 L HA 0.482 4.821 4.340 -0.001 0.000 0.286 283 L C 1.029 177.905 176.870 0.010 0.000 1.059 283 L CA 0.015 54.881 54.840 0.045 0.000 0.839 283 L CB 0.707 42.816 42.059 0.083 0.000 1.221 283 L HN 1.074 nan 8.230 nan 0.000 0.431 284 A N 3.507 126.317 122.820 -0.017 0.000 2.667 284 A HA -0.117 4.202 4.320 -0.001 0.000 0.298 284 A C -2.423 175.099 177.584 -0.104 0.000 1.483 284 A CA -0.453 51.559 52.037 -0.041 0.000 0.738 284 A CB -1.853 17.143 19.000 -0.006 0.000 1.067 284 A HN 0.469 nan 8.150 nan 0.000 0.451 285 P HA 0.525 nan 4.420 nan 0.000 0.279 285 P C -0.324 176.692 177.300 -0.474 0.000 1.252 285 P CA -0.345 62.481 63.100 -0.457 0.000 0.811 285 P CB 1.398 32.589 31.700 -0.848 0.000 1.035 286 V N 2.940 122.550 119.914 -0.507 0.000 2.376 286 V HA 0.299 4.418 4.120 -0.001 0.000 0.287 286 V C -0.636 175.241 176.094 -0.361 0.000 1.015 286 V CA -0.282 61.819 62.300 -0.331 0.000 0.834 286 V CB 0.266 31.991 31.823 -0.163 0.000 1.001 286 V HN 0.311 nan 8.190 nan 0.000 0.428 287 F N 5.640 125.626 119.950 0.060 0.000 2.334 287 F HA 0.472 4.999 4.527 -0.001 0.000 0.365 287 F C 0.676 176.562 175.800 0.144 0.000 1.124 287 F CA -0.800 57.259 58.000 0.098 0.000 1.166 287 F CB 0.358 39.445 39.000 0.145 0.000 1.355 287 F HN 0.663 nan 8.300 nan 0.000 0.532 288 N N 0.334 119.140 118.700 0.176 0.000 2.815 288 N HA 0.205 4.944 4.740 -0.001 0.000 0.315 288 N C 0.629 175.906 175.510 -0.389 0.000 1.320 288 N CA -0.763 52.317 53.050 0.050 0.000 0.846 288 N CB 0.255 38.762 38.487 0.035 0.000 1.344 288 N HN 0.270 nan 8.380 nan 0.000 0.593 289 D N -1.256 118.776 120.400 -0.615 0.000 2.218 289 D HA -0.208 4.431 4.640 -0.001 0.000 0.204 289 D C 0.989 177.163 176.300 -0.209 0.000 0.976 289 D CA 1.433 54.844 54.000 -0.982 0.000 0.853 289 D CB -0.389 40.087 40.800 -0.539 0.000 0.939 289 D HN 0.441 nan 8.370 nan 0.000 0.481 290 Y N 1.695 121.941 120.300 -0.090 0.000 2.206 290 Y HA -0.037 4.513 4.550 -0.001 0.000 0.292 290 Y C 2.943 179.133 175.900 0.483 0.000 1.123 290 Y CA 0.800 59.089 58.100 0.315 0.000 1.142 290 Y CB -0.738 37.968 38.460 0.410 0.000 1.006 290 Y HN 0.130 nan 8.280 nan 0.000 0.518 291 S N -1.315 114.595 115.700 0.350 0.000 2.489 291 S HA -0.077 4.392 4.470 -0.001 0.000 0.228 291 S C 1.531 176.329 174.600 0.331 0.000 0.995 291 S CA 1.069 59.404 58.200 0.225 0.000 0.934 291 S CB -0.943 62.252 63.200 -0.008 0.000 0.771 291 S HN 0.473 nan 8.310 nan 0.000 0.522 292 T N -1.867 112.823 114.554 0.227 0.000 3.145 292 T HA 0.237 4.587 4.350 -0.001 0.000 0.255 292 T C 0.327 175.114 174.700 0.145 0.000 1.039 292 T CA 0.263 62.477 62.100 0.191 0.000 0.928 292 T CB -0.782 68.160 68.868 0.124 0.000 1.029 292 T HN 0.276 nan 8.240 nan 0.000 0.554 293 T N 1.943 116.630 114.554 0.221 0.000 3.506 293 T HA -0.067 4.283 4.350 -0.001 0.000 0.407 293 T C 1.229 175.850 174.700 -0.132 0.000 0.766 293 T CA 0.881 63.014 62.100 0.054 0.000 2.070 293 T CB -2.187 66.737 68.868 0.093 0.000 1.712 293 T HN 1.738 nan 8.240 nan 0.000 0.692 294 G N 0.658 109.295 108.800 -0.272 0.000 2.246 294 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.273 294 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.273 294 G C 0.456 175.295 174.900 -0.101 0.000 1.055 294 G CA 0.617 45.536 45.100 -0.302 0.000 0.851 294 G HN 1.350 nan 8.290 nan 0.000 0.500 295 W N -2.983 118.364 121.300 0.078 0.000 3.456 295 W HA -0.324 4.335 4.660 -0.001 0.000 0.314 295 W C 1.855 178.400 176.519 0.042 0.000 1.192 295 W CA 1.342 58.724 57.345 0.061 0.000 0.654 295 W CB -2.283 27.201 29.460 0.041 0.000 2.251 295 W HN 1.019 nan 8.180 nan 0.000 1.360 296 T N -4.324 110.338 114.554 0.179 0.000 3.051 296 T HA 0.049 4.399 4.350 -0.001 0.000 0.255 296 T C 0.528 175.300 174.700 0.120 0.000 1.085 296 T CA 1.096 63.271 62.100 0.126 0.000 1.109 296 T CB 0.266 69.176 68.868 0.070 0.000 0.921 296 T HN 0.067 nan 8.240 nan 0.000 0.488 297 D N 0.908 121.393 120.400 0.141 0.000 2.483 297 D HA 0.377 5.016 4.640 -0.001 0.000 0.281 297 D C -0.900 175.473 176.300 0.123 0.000 1.174 297 D CA -0.703 53.378 54.000 0.135 0.000 0.938 297 D CB -0.345 40.559 40.800 0.173 0.000 1.002 297 D HN 0.430 nan 8.370 nan 0.000 0.501 298 I N 3.263 123.880 120.570 0.079 0.000 2.354 298 I HA 0.342 4.511 4.170 -0.001 0.000 0.292 298 I C -1.601 174.463 176.117 -0.088 0.000 0.989 298 I CA -1.986 59.305 61.300 -0.015 0.000 1.188 298 I CB 1.526 39.543 38.000 0.028 0.000 1.342 298 I HN 0.175 nan 8.210 nan 0.000 0.457 299 P HA -0.024 nan 4.420 nan 0.000 0.266 299 P C -0.682 176.554 177.300 -0.107 0.000 1.195 299 P CA -0.153 62.856 63.100 -0.151 0.000 0.768 299 P CB 0.613 32.166 31.700 -0.245 0.000 0.838 300 D N 3.705 124.082 120.400 -0.037 0.000 2.401 300 D HA 0.030 4.669 4.640 -0.001 0.000 0.254 300 D C -1.461 174.833 176.300 -0.009 0.000 1.192 300 D CA -1.867 52.124 54.000 -0.014 0.000 0.885 300 D CB 0.604 41.411 40.800 0.012 0.000 1.147 300 D HN 0.116 nan 8.370 nan 0.000 0.478 301 P HA -0.099 nan 4.420 nan 0.000 0.219 301 P C 0.595 177.908 177.300 0.021 0.000 1.146 301 P CA 1.233 64.323 63.100 -0.017 0.000 0.808 301 P CB 0.259 31.946 31.700 -0.022 0.000 0.779 302 K N -0.684 119.747 120.400 0.052 0.000 2.418 302 K HA 0.051 4.370 4.320 -0.001 0.000 0.195 302 K C 1.569 178.303 176.600 0.223 0.000 1.035 302 K CA 0.744 57.097 56.287 0.110 0.000 1.003 302 K CB 0.045 32.594 32.500 0.082 0.000 0.793 302 K HN 0.122 nan 8.250 nan 0.000 0.494 303 K N 0.032 120.542 120.400 0.182 0.000 2.355 303 K HA 0.121 4.441 4.320 -0.001 0.000 0.198 303 K C -0.299 176.457 176.600 0.261 0.000 1.039 303 K CA -0.252 56.197 56.287 0.269 0.000 1.075 303 K CB 0.455 33.038 32.500 0.138 0.000 0.870 303 K HN -0.053 nan 8.250 nan 0.000 0.540 304 L N 1.909 123.193 121.223 0.103 0.000 2.290 304 L HA 0.167 4.506 4.340 -0.001 0.000 0.284 304 L C -0.716 176.096 176.870 -0.097 0.000 1.078 304 L CA -0.246 54.612 54.840 0.030 0.000 0.815 304 L CB 1.221 43.283 42.059 0.005 0.000 1.162 304 L HN -0.243 nan 8.230 nan 0.000 0.435 305 V N 6.763 126.649 119.914 -0.045 0.000 2.328 305 V HA 0.290 4.410 4.120 -0.001 0.000 0.278 305 V C -0.275 175.809 176.094 -0.016 0.000 1.021 305 V CA -0.580 61.661 62.300 -0.098 0.000 0.838 305 V CB 1.264 33.073 31.823 -0.023 0.000 0.999 305 V HN 0.570 nan 8.190 nan 0.000 0.447 306 L N 5.839 127.037 121.223 -0.043 0.000 2.272 306 L HA 0.719 5.058 4.340 -0.001 0.000 0.284 306 L C 0.501 177.327 176.870 -0.073 0.000 1.045 306 L CA -0.150 54.687 54.840 -0.004 0.000 0.842 306 L CB 0.833 42.906 42.059 0.022 0.000 1.224 306 L HN 0.682 nan 8.230 nan 0.000 0.430 307 A N 5.662 128.437 122.820 -0.075 0.000 2.540 307 A HA 0.536 4.855 4.320 -0.001 0.000 0.340 307 A C 0.112 177.639 177.584 -0.095 0.000 1.424 307 A CA -0.672 51.265 52.037 -0.168 0.000 0.940 307 A CB -0.166 18.747 19.000 -0.145 0.000 1.149 307 A HN 0.686 nan 8.150 nan 0.000 0.505 308 E N 2.631 122.774 120.200 -0.095 0.000 2.376 308 E HA 0.133 4.482 4.350 -0.001 0.000 0.254 308 E C -1.698 174.873 176.600 -0.049 0.000 1.213 308 E CA -1.700 54.665 56.400 -0.058 0.000 0.945 308 E CB 0.031 29.702 29.700 -0.048 0.000 1.057 308 E HN 0.257 nan 8.360 nan 0.000 0.479 309 P HA -0.111 nan 4.420 nan 0.000 0.216 309 P C 0.689 178.004 177.300 0.024 0.000 1.150 309 P CA 1.625 64.729 63.100 0.007 0.000 0.843 309 P CB 0.222 31.925 31.700 0.005 0.000 0.787 310 R N -1.514 118.973 120.500 -0.022 0.000 2.572 310 R HA 0.294 4.634 4.340 -0.001 0.000 0.370 310 R C 0.059 176.292 176.300 -0.112 0.000 1.005 310 R CA 0.110 56.166 56.100 -0.073 0.000 1.146 310 R CB 0.614 30.878 30.300 -0.061 0.000 1.390 310 R HN 0.202 nan 8.270 nan 0.000 0.553 311 S N -1.322 114.319 115.700 -0.099 0.000 2.565 311 S HA 0.545 5.015 4.470 -0.001 0.000 0.269 311 S C -0.929 173.586 174.600 -0.142 0.000 1.153 311 S CA -0.798 57.344 58.200 -0.096 0.000 0.835 311 S CB 2.304 65.466 63.200 -0.063 0.000 1.122 311 S HN -0.137 nan 8.310 nan 0.000 0.462 312 V N 1.349 121.190 119.914 -0.122 0.000 2.588 312 V HA 0.639 4.759 4.120 -0.001 0.000 0.304 312 V C -0.837 175.251 176.094 -0.010 0.000 1.042 312 V CA -0.680 61.508 62.300 -0.187 0.000 0.877 312 V CB 1.795 33.345 31.823 -0.454 0.000 0.996 312 V HN 0.861 nan 8.190 nan 0.000 0.425 313 V N 5.126 125.007 119.914 -0.054 0.000 2.357 313 V HA 0.673 4.793 4.120 -0.001 0.000 0.284 313 V C -0.373 175.683 176.094 -0.063 0.000 1.018 313 V CA -0.514 61.762 62.300 -0.039 0.000 0.841 313 V CB 1.631 33.417 31.823 -0.061 0.000 0.991 313 V HN 0.644 nan 8.190 nan 0.000 0.437 314 V N 5.056 124.961 119.914 -0.015 0.000 2.851 314 V HA 0.584 4.704 4.120 -0.001 0.000 0.307 314 V C 0.213 176.247 176.094 -0.101 0.000 1.129 314 V CA -0.418 61.811 62.300 -0.119 0.000 0.932 314 V CB 1.891 33.690 31.823 -0.041 0.000 1.024 314 V HN 0.960 nan 8.190 nan 0.000 0.426 315 N N 4.268 122.779 118.700 -0.315 0.000 2.740 315 N HA -0.154 4.586 4.740 -0.001 0.000 0.248 315 N C 0.880 176.383 175.510 -0.011 0.000 1.062 315 N CA 1.979 54.978 53.050 -0.084 0.000 0.704 315 N CB -1.158 37.399 38.487 0.115 0.000 0.968 315 N HN 2.312 nan 8.380 nan 0.000 0.547 316 G N -1.504 107.258 108.800 -0.063 0.000 2.148 316 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.254 316 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.254 316 G C 0.102 174.950 174.900 -0.086 0.000 0.981 316 G CA 0.536 45.606 45.100 -0.050 0.000 0.670 316 G HN 0.579 nan 8.290 nan 0.000 0.528 317 I N -0.488 120.013 120.570 -0.116 0.000 2.545 317 I HA 0.484 4.654 4.170 -0.001 0.000 0.292 317 I C 0.336 176.209 176.117 -0.406 0.000 1.040 317 I CA -1.100 60.029 61.300 -0.285 0.000 1.068 317 I CB 2.068 39.854 38.000 -0.357 0.000 1.251 317 I HN 0.087 nan 8.210 nan 0.000 0.424 318 R N 5.152 125.369 120.500 -0.471 0.000 2.265 318 R HA 0.530 4.869 4.340 -0.001 0.000 0.319 318 R C -1.723 174.245 176.300 -0.554 0.000 1.006 318 R CA -0.327 55.557 56.100 -0.361 0.000 0.880 318 R CB 0.724 30.905 30.300 -0.199 0.000 1.077 318 R HN 0.431 nan 8.270 nan 0.000 0.454 319 F N 6.944 126.837 119.950 -0.095 0.000 2.443 319 F HA 0.368 4.895 4.527 -0.000 0.000 0.369 319 F C -1.820 173.915 175.800 -0.108 0.000 1.090 319 F CA -2.205 55.739 58.000 -0.093 0.000 1.129 319 F CB 1.339 40.279 39.000 -0.099 0.000 1.367 319 F HN 0.391 nan 8.300 nan 0.000 0.465 320 P HA 0.105 nan 4.420 nan 0.000 0.274 320 P C 0.081 177.363 177.300 -0.030 0.000 1.256 320 P CA -0.058 63.029 63.100 -0.022 0.000 0.795 320 P CB 1.049 32.727 31.700 -0.037 0.000 1.038 321 S N -2.939 112.705 115.700 -0.093 0.000 3.635 321 S HA -0.086 4.384 4.470 -0.001 0.000 0.328 321 S C -0.008 174.488 174.600 -0.174 0.000 1.135 321 S CA 0.588 58.700 58.200 -0.147 0.000 0.942 321 S CB -2.080 61.075 63.200 -0.076 0.000 0.930 321 S HN 0.411 nan 8.310 nan 0.000 0.512 322 V N 1.898 121.704 119.914 -0.179 0.000 2.349 322 V HA 0.317 4.437 4.120 -0.001 0.000 0.284 322 V C 0.228 176.232 176.094 -0.151 0.000 1.014 322 V CA -0.739 61.479 62.300 -0.137 0.000 0.826 322 V CB 1.072 32.840 31.823 -0.092 0.000 1.009 322 V HN 0.498 nan 8.190 nan 0.000 0.431 323 H N 3.407 122.478 119.070 0.001 0.000 2.803 323 H HA 0.104 4.659 4.556 -0.001 0.000 0.330 323 H C 0.898 176.240 175.328 0.022 0.000 1.057 323 H CA -0.382 55.667 56.048 0.002 0.000 1.458 323 H CB 1.226 30.991 29.762 0.005 0.000 1.470 323 H HN 0.560 nan 8.280 nan 0.000 0.560 324 L N 3.795 125.100 121.223 0.136 0.000 2.043 324 L HA -0.219 4.121 4.340 -0.001 0.000 0.212 324 L C 2.236 179.184 176.870 0.131 0.000 1.075 324 L CA 1.861 56.768 54.840 0.112 0.000 0.752 324 L CB -0.518 41.579 42.059 0.063 0.000 0.891 324 L HN 0.649 nan 8.230 nan 0.000 0.432 325 K N -0.902 119.555 120.400 0.095 0.000 2.063 325 K HA -0.201 4.119 4.320 -0.001 0.000 0.208 325 K C 1.695 178.326 176.600 0.052 0.000 1.048 325 K CA 1.871 58.188 56.287 0.050 0.000 0.928 325 K CB -0.162 32.342 32.500 0.006 0.000 0.713 325 K HN 0.419 nan 8.250 nan 0.000 0.442 326 D N -0.396 120.056 120.400 0.088 0.000 2.123 326 D HA -0.167 4.472 4.640 -0.001 0.000 0.200 326 D C 1.770 178.107 176.300 0.062 0.000 0.976 326 D CA 0.909 54.951 54.000 0.070 0.000 0.831 326 D CB -0.411 40.449 40.800 0.101 0.000 0.974 326 D HN 0.287 nan 8.370 nan 0.000 0.469 327 Y N 1.779 122.053 120.300 -0.042 0.000 2.128 327 Y HA -0.179 4.371 4.550 -0.000 0.000 0.284 327 Y C 2.200 178.021 175.900 -0.131 0.000 1.154 327 Y CA 1.376 59.419 58.100 -0.096 0.000 1.149 327 Y CB -0.509 37.883 38.460 -0.112 0.000 0.976 327 Y HN -0.117 nan 8.280 nan 0.000 0.505 328 L N -0.919 120.193 121.223 -0.184 0.000 2.056 328 L HA -0.215 4.125 4.340 -0.001 0.000 0.207 328 L C 2.353 179.123 176.870 -0.168 0.000 1.078 328 L CA 1.780 56.433 54.840 -0.312 0.000 0.749 328 L CB -0.852 41.146 42.059 -0.102 0.000 0.901 328 L HN 0.218 nan 8.230 nan 0.000 0.433 329 T N -0.962 113.546 114.554 -0.077 0.000 2.708 329 T HA -0.225 4.125 4.350 -0.001 0.000 0.266 329 T C 2.014 176.681 174.700 -0.055 0.000 1.037 329 T CA 1.450 63.529 62.100 -0.035 0.000 1.146 329 T CB -0.163 68.696 68.868 -0.016 0.000 0.865 329 T HN 0.142 nan 8.240 nan 0.000 0.435 330 R N 0.755 121.200 120.500 -0.091 0.000 2.092 330 R HA 0.077 4.417 4.340 -0.001 0.000 0.231 330 R C 2.166 178.392 176.300 -0.124 0.000 1.119 330 R CA 0.930 56.976 56.100 -0.089 0.000 0.970 330 R CB -0.917 29.335 30.300 -0.081 0.000 0.864 330 R HN 0.269 nan 8.270 nan 0.000 0.440 331 L N 0.252 121.328 121.223 -0.246 0.000 2.083 331 L HA 0.074 4.414 4.340 -0.001 0.000 0.209 331 L C 2.011 178.876 176.870 -0.007 0.000 1.083 331 L CA 2.081 56.775 54.840 -0.242 0.000 0.752 331 L CB -0.856 40.832 42.059 -0.618 0.000 0.899 331 L HN 0.282 nan 8.230 nan 0.000 0.433 332 A N -1.404 121.447 122.820 0.051 0.000 2.015 332 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 332 A C 2.141 179.752 177.584 0.045 0.000 1.163 332 A CA 1.548 53.661 52.037 0.126 0.000 0.646 332 A CB -0.437 18.633 19.000 0.118 0.000 0.806 332 A HN 0.655 nan 8.150 nan 0.000 0.448 333 Q N -1.021 118.786 119.800 0.012 0.000 2.389 333 Q HA 0.032 4.371 4.340 -0.001 0.000 0.204 333 Q C 1.462 177.463 176.000 0.002 0.000 0.944 333 Q CA 0.984 56.788 55.803 0.002 0.000 0.908 333 Q CB 0.107 28.840 28.738 -0.008 0.000 1.002 333 Q HN 0.590 nan 8.270 nan 0.000 0.493 334 K N -0.542 119.859 120.400 0.002 0.000 2.435 334 K HA 0.166 4.485 4.320 -0.001 0.000 0.199 334 K C 0.138 176.748 176.600 0.017 0.000 1.153 334 K CA -0.071 56.218 56.287 0.003 0.000 0.974 334 K CB 1.208 33.701 32.500 -0.011 0.000 0.997 334 K HN -0.059 nan 8.250 nan 0.000 0.547 335 V N 2.749 122.685 119.914 0.037 0.000 2.811 335 V HA 0.048 4.167 4.120 -0.001 0.000 0.302 335 V C 0.120 176.229 176.094 0.024 0.000 1.063 335 V CA -0.089 62.243 62.300 0.053 0.000 1.088 335 V CB 1.289 33.186 31.823 0.122 0.000 0.982 335 V HN 0.380 nan 8.190 nan 0.000 0.485 336 S N 5.302 121.014 115.700 0.021 0.000 2.713 336 S HA 0.552 5.021 4.470 -0.001 0.000 0.283 336 S C -0.335 174.262 174.600 -0.005 0.000 1.161 336 S CA -0.778 57.426 58.200 0.008 0.000 0.999 336 S CB 1.143 64.350 63.200 0.012 0.000 1.039 336 S HN 0.687 nan 8.310 nan 0.000 0.548 337 K N 1.164 121.559 120.400 -0.007 0.000 2.447 337 K HA 0.190 4.509 4.320 -0.001 0.000 0.281 337 K C -0.476 176.120 176.600 -0.007 0.000 1.031 337 K CA 0.603 56.882 56.287 -0.014 0.000 1.019 337 K CB 0.186 32.687 32.500 0.003 0.000 0.918 337 K HN 0.523 nan 8.250 nan 0.000 0.476 338 K N 3.216 123.605 120.400 -0.018 0.000 2.752 338 K HA 0.076 4.396 4.320 -0.001 0.000 0.199 338 K C -0.031 176.573 176.600 0.006 0.000 1.069 338 K CA -0.137 56.148 56.287 -0.002 0.000 1.033 338 K CB 1.159 33.660 32.500 0.000 0.000 1.229 338 K HN 0.772 nan 8.250 nan 0.000 0.572 339 T N -2.826 111.746 114.554 0.030 0.000 3.129 339 T HA -0.003 4.346 4.350 -0.001 0.000 0.251 339 T C 1.855 176.601 174.700 0.077 0.000 1.117 339 T CA 0.621 62.757 62.100 0.059 0.000 1.034 339 T CB 0.215 69.124 68.868 0.069 0.000 0.968 339 T HN 0.460 nan 8.240 nan 0.000 0.526 340 G N 1.899 110.737 108.800 0.062 0.000 2.556 340 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.220 340 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.220 340 G C 1.770 176.744 174.900 0.124 0.000 1.156 340 G CA 0.973 46.120 45.100 0.078 0.000 0.766 340 G HN 0.754 nan 8.290 nan 0.000 0.583 341 A N -0.320 122.563 122.820 0.105 0.000 1.975 341 A HA 0.304 4.624 4.320 -0.001 0.000 0.215 341 A C 2.294 180.023 177.584 0.242 0.000 1.170 341 A CA 1.404 53.531 52.037 0.151 0.000 0.656 341 A CB -0.266 18.776 19.000 0.071 0.000 0.821 341 A HN 0.407 nan 8.150 nan 0.000 0.449 342 L N 0.263 121.593 121.223 0.177 0.000 2.056 342 L HA -0.129 4.210 4.340 -0.001 0.000 0.207 342 L C 1.544 178.562 176.870 0.246 0.000 1.078 342 L CA 2.299 57.261 54.840 0.204 0.000 0.749 342 L CB -0.660 41.494 42.059 0.159 0.000 0.901 342 L HN 0.319 nan 8.230 nan 0.000 0.433 343 D N -0.874 119.641 120.400 0.192 0.000 2.123 343 D HA -0.262 4.377 4.640 -0.001 0.000 0.196 343 D C 2.050 178.453 176.300 0.172 0.000 0.992 343 D CA 1.640 55.733 54.000 0.155 0.000 0.833 343 D CB -0.395 40.479 40.800 0.124 0.000 0.954 343 D HN 0.414 nan 8.370 nan 0.000 0.455 344 F N 0.692 120.696 119.950 0.090 0.000 2.134 344 F HA -0.209 4.317 4.527 -0.001 0.000 0.299 344 F C 2.140 177.999 175.800 0.098 0.000 1.097 344 F CA 1.062 59.109 58.000 0.078 0.000 1.264 344 F CB -0.396 38.651 39.000 0.079 0.000 1.001 344 F HN -0.102 nan 8.300 nan 0.000 0.479 345 F N 1.486 121.512 119.950 0.126 0.000 2.095 345 F HA -0.192 4.335 4.527 -0.001 0.000 0.298 345 F C 2.245 177.997 175.800 -0.079 0.000 1.104 345 F CA 2.132 60.144 58.000 0.019 0.000 1.232 345 F CB -0.642 38.409 39.000 0.084 0.000 0.987 345 F HN -0.133 nan 8.300 nan 0.000 0.475 346 K N 0.052 120.419 120.400 -0.054 0.000 2.097 346 K HA -0.154 4.165 4.320 -0.001 0.000 0.206 346 K C 2.228 178.685 176.600 -0.239 0.000 1.049 346 K CA 1.582 57.770 56.287 -0.165 0.000 0.933 346 K CB -0.456 32.054 32.500 0.017 0.000 0.717 346 K HN 0.416 nan 8.250 nan 0.000 0.442 347 S N 0.814 116.382 115.700 -0.220 0.000 2.555 347 S HA -0.018 4.451 4.470 -0.001 0.000 0.230 347 S C 1.756 176.165 174.600 -0.319 0.000 0.978 347 S CA 0.548 58.611 58.200 -0.228 0.000 0.934 347 S CB -0.319 62.769 63.200 -0.187 0.000 0.766 347 S HN 0.199 nan 8.310 nan 0.000 0.533 348 L N 0.707 121.669 121.223 -0.436 0.000 2.313 348 L HA 0.071 4.411 4.340 -0.001 0.000 0.214 348 L C 0.481 177.174 176.870 -0.296 0.000 1.119 348 L CA 0.204 54.800 54.840 -0.405 0.000 0.809 348 L CB -0.781 41.001 42.059 -0.462 0.000 0.933 348 L HN 0.274 nan 8.230 nan 0.000 0.449 349 N N -0.298 118.222 118.700 -0.300 0.000 2.721 349 N HA -0.241 4.499 4.740 -0.001 0.000 0.249 349 N C 0.979 176.369 175.510 -0.200 0.000 1.072 349 N CA 0.866 53.785 53.050 -0.217 0.000 0.710 349 N CB -0.932 37.467 38.487 -0.146 0.000 0.993 349 N HN 0.436 nan 8.380 nan 0.000 0.547 350 A N -0.257 122.400 122.820 -0.271 0.000 2.172 350 A HA 0.378 4.698 4.320 -0.001 0.000 0.216 350 A C 1.516 179.032 177.584 -0.113 0.000 1.154 350 A CA 1.634 53.562 52.037 -0.182 0.000 0.701 350 A CB -0.313 18.571 19.000 -0.193 0.000 0.789 350 A HN 1.366 nan 8.150 nan 0.000 0.465 351 G N -0.998 107.730 108.800 -0.120 0.000 2.828 351 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.463 351 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.463 351 G C -0.408 174.486 174.900 -0.009 0.000 1.394 351 G CA 0.015 45.081 45.100 -0.057 0.000 0.862 351 G HN 0.655 nan 8.290 nan 0.000 0.540 352 E N -1.290 118.914 120.200 0.008 0.000 2.314 352 E HA 0.608 4.958 4.350 -0.001 0.000 0.262 352 E C 0.602 177.187 176.600 -0.025 0.000 1.093 352 E CA -0.827 55.590 56.400 0.029 0.000 0.908 352 E CB 1.014 30.736 29.700 0.037 0.000 1.091 352 E HN 1.042 nan 8.360 nan 0.000 0.425 353 L N 2.683 123.854 121.223 -0.087 0.000 2.559 353 L HA 0.043 4.383 4.340 -0.001 0.000 0.274 353 L C 0.054 176.859 176.870 -0.107 0.000 1.205 353 L CA 0.839 55.562 54.840 -0.195 0.000 0.907 353 L CB 0.080 41.859 42.059 -0.466 0.000 1.153 353 L HN 0.424 nan 8.230 nan 0.000 0.490 354 K N 5.764 126.114 120.400 -0.084 0.000 2.378 354 K HA 0.161 4.480 4.320 -0.001 0.000 0.288 354 K C -0.679 175.894 176.600 -0.046 0.000 1.057 354 K CA -0.050 56.207 56.287 -0.050 0.000 0.971 354 K CB 0.270 32.747 32.500 -0.039 0.000 0.975 354 K HN 0.619 nan 8.250 nan 0.000 0.475 355 K N 2.196 122.578 120.400 -0.030 0.000 2.259 355 K HA 0.375 4.695 4.320 -0.001 0.000 0.249 355 K C -0.730 175.863 176.600 -0.012 0.000 0.942 355 K CA -0.906 55.369 56.287 -0.020 0.000 0.816 355 K CB 1.919 34.411 32.500 -0.013 0.000 1.155 355 K HN 0.644 nan 8.250 nan 0.000 0.428 356 A N 1.599 124.414 122.820 -0.008 0.000 2.498 356 A HA 0.433 4.752 4.320 -0.001 0.000 0.239 356 A C 0.072 177.655 177.584 -0.003 0.000 1.068 356 A CA -0.092 51.941 52.037 -0.006 0.000 0.766 356 A CB 0.149 19.146 19.000 -0.004 0.000 1.003 356 A HN 0.783 nan 8.150 nan 0.000 0.497 357 A N 3.171 125.989 122.820 -0.002 0.000 2.313 357 A HA 0.611 4.930 4.320 -0.001 0.000 0.261 357 A C -2.179 175.406 177.584 0.002 0.000 1.090 357 A CA -1.378 50.659 52.037 0.000 0.000 0.807 357 A CB -0.695 18.305 19.000 0.000 0.000 1.055 357 A HN 0.681 nan 8.150 nan 0.000 0.492 358 P HA 0.212 nan 4.420 nan 0.000 0.260 358 P C -0.110 177.193 177.300 0.006 0.000 1.172 358 P CA 0.694 63.797 63.100 0.006 0.000 0.760 358 P CB 0.321 32.026 31.700 0.008 0.000 0.773 359 A N 3.093 125.918 122.820 0.007 0.000 2.313 359 A HA 0.220 4.540 4.320 -0.001 0.000 0.261 359 A C 0.295 177.884 177.584 0.009 0.000 1.090 359 A CA -0.373 51.669 52.037 0.007 0.000 0.807 359 A CB -0.001 19.004 19.000 0.009 0.000 1.055 359 A HN 0.520 nan 8.150 nan 0.000 0.492 360 D N 0.533 120.937 120.400 0.007 0.000 2.382 360 D HA 0.213 4.853 4.640 -0.001 0.000 0.259 360 D C -1.644 174.662 176.300 0.010 0.000 1.224 360 D CA -1.375 52.630 54.000 0.007 0.000 0.894 360 D CB 0.764 41.567 40.800 0.005 0.000 1.127 360 D HN 0.090 nan 8.370 nan 0.000 0.487 361 P HA -0.146 nan 4.420 nan 0.000 0.218 361 P C 0.894 178.203 177.300 0.015 0.000 1.146 361 P CA 1.191 64.300 63.100 0.016 0.000 0.813 361 P CB 0.090 31.800 31.700 0.016 0.000 0.778 362 S N -2.372 113.334 115.700 0.010 0.000 2.535 362 S HA 0.369 4.839 4.470 -0.001 0.000 0.214 362 S C 1.015 175.618 174.600 0.005 0.000 0.980 362 S CA -0.229 57.975 58.200 0.007 0.000 0.907 362 S CB -0.562 62.640 63.200 0.003 0.000 0.790 362 S HN 0.096 nan 8.310 nan 0.000 0.510 363 A N 2.744 125.568 122.820 0.007 0.000 2.386 363 A HA 0.599 4.919 4.320 -0.001 0.000 0.248 363 A C -2.538 175.053 177.584 0.010 0.000 1.082 363 A CA -1.567 50.474 52.037 0.006 0.000 0.789 363 A CB -0.531 18.473 19.000 0.005 0.000 1.025 363 A HN 0.269 nan 8.150 nan 0.000 0.490 364 P HA 0.095 nan 4.420 nan 0.000 0.262 364 P C -0.287 177.028 177.300 0.026 0.000 1.182 364 P CA -0.091 63.018 63.100 0.015 0.000 0.761 364 P CB 0.198 31.904 31.700 0.009 0.000 0.795 365 L N 5.778 127.027 121.223 0.044 0.000 2.490 365 L HA 0.161 4.501 4.340 -0.001 0.000 0.274 365 L C -0.102 176.793 176.870 0.041 0.000 1.201 365 L CA 0.362 55.233 54.840 0.051 0.000 0.869 365 L CB 0.119 42.228 42.059 0.083 0.000 1.123 365 L HN 0.229 nan 8.230 nan 0.000 0.484 366 V N 2.091 122.022 119.914 0.028 0.000 3.046 366 V HA 0.532 4.652 4.120 -0.001 0.000 0.316 366 V C 0.808 176.912 176.094 0.015 0.000 1.104 366 V CA -0.504 61.805 62.300 0.016 0.000 1.006 366 V CB 1.521 33.347 31.823 0.005 0.000 1.058 366 V HN 0.808 nan 8.190 nan 0.000 0.440 367 N N 2.072 120.779 118.700 0.011 0.000 2.061 367 N HA -0.170 4.569 4.740 -0.001 0.000 0.193 367 N C 1.674 177.189 175.510 0.009 0.000 1.030 367 N CA 2.612 55.670 53.050 0.014 0.000 0.856 367 N CB -0.276 38.223 38.487 0.020 0.000 1.023 367 N HN 1.009 nan 8.380 nan 0.000 0.424 368 A N -0.182 122.642 122.820 0.007 0.000 1.972 368 A HA -0.144 4.175 4.320 -0.001 0.000 0.219 368 A C 2.138 179.720 177.584 -0.003 0.000 1.169 368 A CA 1.846 53.885 52.037 0.004 0.000 0.635 368 A CB -0.731 18.270 19.000 0.002 0.000 0.810 368 A HN 0.513 nan 8.150 nan 0.000 0.446 369 E N 0.392 120.592 120.200 0.000 0.000 2.107 369 E HA -0.087 4.263 4.350 -0.001 0.000 0.191 369 E C 1.685 178.278 176.600 -0.012 0.000 0.982 369 E CA 1.210 57.610 56.400 -0.000 0.000 0.809 369 E CB -0.396 29.311 29.700 0.011 0.000 0.756 369 E HN 0.636 nan 8.360 nan 0.000 0.459 370 I N 0.524 121.084 120.570 -0.016 0.000 2.179 370 I HA -0.278 3.892 4.170 -0.001 0.000 0.242 370 I C 2.403 178.449 176.117 -0.119 0.000 1.088 370 I CA 1.166 62.433 61.300 -0.054 0.000 1.357 370 I CB -0.510 37.469 38.000 -0.034 0.000 1.051 370 I HN 0.198 nan 8.210 nan 0.000 0.409 371 A N 0.724 123.500 122.820 -0.073 0.000 1.933 371 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 371 A C 2.464 180.009 177.584 -0.065 0.000 1.175 371 A CA 1.708 53.703 52.037 -0.070 0.000 0.628 371 A CB -0.671 18.322 19.000 -0.012 0.000 0.814 371 A HN 0.355 nan 8.150 nan 0.000 0.444 372 R N -0.433 120.042 120.500 -0.041 0.000 2.083 372 R HA -0.186 4.153 4.340 -0.001 0.000 0.237 372 R C 2.338 178.615 176.300 -0.039 0.000 1.137 372 R CA 1.961 58.045 56.100 -0.027 0.000 0.951 372 R CB -0.311 29.982 30.300 -0.012 0.000 0.851 372 R HN 0.700 nan 8.270 nan 0.000 0.434 373 Q N -0.382 119.385 119.800 -0.055 0.000 2.123 373 Q HA -0.083 4.257 4.340 -0.001 0.000 0.199 373 Q C 2.191 178.133 176.000 -0.097 0.000 0.966 373 Q CA 1.400 57.175 55.803 -0.048 0.000 0.845 373 Q CB 0.164 28.892 28.738 -0.016 0.000 0.907 373 Q HN 0.224 nan 8.270 nan 0.000 0.439 374 V N 1.369 121.146 119.914 -0.228 0.000 2.343 374 V HA -0.264 3.856 4.120 -0.001 0.000 0.247 374 V C 2.181 178.199 176.094 -0.127 0.000 1.051 374 V CA 2.038 64.151 62.300 -0.312 0.000 1.036 374 V CB -0.534 30.967 31.823 -0.536 0.000 0.654 374 V HN 0.414 nan 8.190 nan 0.000 0.451 375 E N 0.439 120.588 120.200 -0.085 0.000 2.118 375 E HA -0.228 4.121 4.350 -0.001 0.000 0.195 375 E C 2.103 178.698 176.600 -0.009 0.000 0.992 375 E CA 1.315 57.697 56.400 -0.030 0.000 0.804 375 E CB -0.218 29.477 29.700 -0.009 0.000 0.741 375 E HN 0.588 nan 8.360 nan 0.000 0.458 376 A N 0.443 123.257 122.820 -0.010 0.000 2.172 376 A HA -0.037 4.283 4.320 -0.001 0.000 0.216 376 A C 1.962 179.557 177.584 0.020 0.000 1.154 376 A CA 0.506 52.548 52.037 0.009 0.000 0.701 376 A CB -0.253 18.753 19.000 0.012 0.000 0.789 376 A HN 0.308 nan 8.150 nan 0.000 0.465 377 L N -0.368 120.867 121.223 0.020 0.000 2.418 377 L HA 0.135 4.475 4.340 -0.001 0.000 0.218 377 L C 0.161 177.054 176.870 0.038 0.000 1.125 377 L CA -0.164 54.703 54.840 0.045 0.000 0.835 377 L CB -0.221 41.887 42.059 0.081 0.000 0.953 377 L HN 0.293 nan 8.230 nan 0.000 0.454 378 L N 1.099 122.335 121.223 0.023 0.000 2.534 378 L HA 0.066 4.406 4.340 -0.001 0.000 0.271 378 L C 0.638 177.520 176.870 0.021 0.000 1.178 378 L CA 0.202 55.054 54.840 0.020 0.000 0.907 378 L CB 0.184 42.250 42.059 0.012 0.000 1.164 378 L HN 0.201 nan 8.230 nan 0.000 0.482 379 T N -0.167 114.400 114.554 0.021 0.000 2.888 379 T HA 0.439 4.789 4.350 -0.001 0.000 0.288 379 T C -2.237 172.470 174.700 0.012 0.000 1.063 379 T CA -1.977 60.133 62.100 0.018 0.000 1.010 379 T CB 2.049 70.930 68.868 0.021 0.000 1.214 379 T HN 0.184 nan 8.240 nan 0.000 0.533 380 P HA 0.044 nan 4.420 nan 0.000 0.228 380 P C 0.731 178.034 177.300 0.005 0.000 1.151 380 P CA 0.776 63.876 63.100 -0.000 0.000 0.770 380 P CB -0.036 31.661 31.700 -0.005 0.000 0.786 381 N N -1.709 117.000 118.700 0.014 0.000 2.230 381 N HA 0.028 4.768 4.740 -0.001 0.000 0.202 381 N C -0.407 175.125 175.510 0.036 0.000 1.119 381 N CA 0.187 53.250 53.050 0.022 0.000 0.851 381 N CB 0.004 38.503 38.487 0.020 0.000 0.990 381 N HN -0.114 nan 8.380 nan 0.000 0.497 382 T N -0.427 114.146 114.554 0.032 0.000 2.902 382 T HA 0.439 4.789 4.350 -0.001 0.000 0.283 382 T C -0.512 174.204 174.700 0.027 0.000 1.009 382 T CA -0.230 61.891 62.100 0.036 0.000 1.051 382 T CB 1.659 70.545 68.868 0.029 0.000 0.999 382 T HN -0.098 nan 8.240 nan 0.000 0.474 383 T N 2.192 116.756 114.554 0.018 0.000 2.841 383 T HA 0.479 4.828 4.350 -0.001 0.000 0.285 383 T C -0.556 174.083 174.700 -0.103 0.000 0.991 383 T CA -0.494 61.567 62.100 -0.064 0.000 0.966 383 T CB 1.213 70.001 68.868 -0.132 0.000 0.962 383 T HN 0.321 nan 8.240 nan 0.000 0.438 384 V N 5.191 125.033 119.914 -0.119 0.000 2.370 384 V HA 0.403 4.522 4.120 -0.001 0.000 0.279 384 V C -0.088 175.923 176.094 -0.138 0.000 1.029 384 V CA -0.893 61.352 62.300 -0.092 0.000 0.870 384 V CB 1.078 32.861 31.823 -0.066 0.000 0.984 384 V HN 0.728 nan 8.190 nan 0.000 0.451 385 I N 4.721 125.230 120.570 -0.103 0.000 2.301 385 I HA 0.493 4.663 4.170 -0.001 0.000 0.292 385 I C 0.568 176.737 176.117 0.087 0.000 1.046 385 I CA -0.063 61.202 61.300 -0.059 0.000 1.282 385 I CB 1.023 38.924 38.000 -0.164 0.000 1.409 385 I HN 0.649 nan 8.210 nan 0.000 0.484 386 A N 5.782 128.728 122.820 0.210 0.000 2.258 386 A HA 0.505 4.824 4.320 -0.001 0.000 0.316 386 A C 0.071 178.006 177.584 0.584 0.000 1.279 386 A CA -0.566 51.676 52.037 0.341 0.000 0.876 386 A CB 0.730 19.932 19.000 0.336 0.000 1.170 386 A HN 0.672 nan 8.150 nan 0.000 0.520 387 E N 1.773 122.218 120.200 0.409 0.000 2.390 387 E HA 0.332 4.682 4.350 -0.001 0.000 0.261 387 E C 0.130 176.769 176.600 0.065 0.000 1.076 387 E CA 0.143 56.754 56.400 0.352 0.000 0.905 387 E CB 0.498 30.319 29.700 0.201 0.000 0.984 387 E HN 0.568 nan 8.360 nan 0.000 0.427 388 T N 2.618 117.069 114.554 -0.171 0.000 2.933 388 T HA 0.462 4.812 4.350 -0.001 0.000 0.306 388 T C 0.345 174.642 174.700 -0.672 0.000 1.045 388 T CA 0.834 62.341 62.100 -0.988 0.000 1.143 388 T CB 0.011 68.522 68.868 -0.596 0.000 1.003 388 T HN 0.758 nan 8.240 nan 0.000 0.540 389 G N 3.053 111.366 108.800 -0.810 0.000 2.265 389 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.246 389 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.246 389 G C 0.303 175.202 174.900 -0.002 0.000 1.299 389 G CA 0.010 44.951 45.100 -0.266 0.000 1.117 389 G HN 0.538 nan 8.290 nan 0.000 0.485 390 D N -0.009 120.453 120.400 0.104 0.000 2.218 390 D HA 0.022 4.662 4.640 -0.001 0.000 0.204 390 D C 2.545 179.010 176.300 0.275 0.000 0.976 390 D CA 1.884 56.028 54.000 0.238 0.000 0.853 390 D CB -0.092 40.793 40.800 0.141 0.000 0.939 390 D HN 0.273 nan 8.370 nan 0.000 0.481 391 S N -0.403 115.404 115.700 0.179 0.000 2.383 391 S HA -0.167 4.303 4.470 -0.001 0.000 0.229 391 S C 1.501 176.311 174.600 0.350 0.000 1.030 391 S CA 0.690 59.018 58.200 0.213 0.000 1.002 391 S CB -0.309 62.997 63.200 0.175 0.000 0.829 391 S HN 0.450 nan 8.310 nan 0.000 0.467 392 W N 1.189 122.547 121.300 0.095 0.000 2.318 392 W HA -0.087 4.572 4.660 -0.001 0.000 0.313 392 W C 1.848 178.279 176.519 -0.147 0.000 1.221 392 W CA 0.568 57.855 57.345 -0.097 0.000 1.266 392 W CB -1.343 27.788 29.460 -0.548 0.000 1.150 392 W HN 0.345 nan 8.180 nan 0.000 0.496 393 F N -0.104 120.025 119.950 0.298 0.000 2.335 393 F HA -0.099 4.428 4.527 -0.001 0.000 0.296 393 F C 2.158 178.059 175.800 0.169 0.000 1.091 393 F CA 0.973 59.090 58.000 0.196 0.000 1.399 393 F CB -1.046 38.005 39.000 0.085 0.000 1.067 393 F HN -0.203 nan 8.300 nan 0.000 0.520 394 N N 0.753 119.637 118.700 0.307 0.000 2.084 394 N HA -0.151 4.588 4.740 -0.001 0.000 0.190 394 N C 2.068 177.677 175.510 0.165 0.000 1.030 394 N CA 1.500 54.663 53.050 0.189 0.000 0.849 394 N CB -0.697 37.866 38.487 0.128 0.000 1.012 394 N HN 0.270 nan 8.380 nan 0.000 0.423 395 A N 0.566 123.500 122.820 0.189 0.000 1.930 395 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 395 A C 2.193 179.881 177.584 0.173 0.000 1.175 395 A CA 1.358 53.480 52.037 0.143 0.000 0.627 395 A CB -0.523 18.553 19.000 0.125 0.000 0.815 395 A HN 0.236 nan 8.150 nan 0.000 0.443 396 Q N 0.027 119.976 119.800 0.248 0.000 2.224 396 Q HA -0.051 4.289 4.340 -0.001 0.000 0.203 396 Q C 1.905 178.100 176.000 0.324 0.000 0.970 396 Q CA 1.517 57.475 55.803 0.258 0.000 0.865 396 Q CB -0.236 28.651 28.738 0.248 0.000 0.922 396 Q HN 0.658 nan 8.270 nan 0.000 0.445 397 R N -1.053 119.612 120.500 0.274 0.000 2.299 397 R HA 0.179 4.519 4.340 -0.001 0.000 0.197 397 R C 0.056 176.474 176.300 0.197 0.000 0.971 397 R CA -0.018 56.221 56.100 0.232 0.000 1.030 397 R CB 0.091 30.471 30.300 0.133 0.000 0.932 397 R HN 0.278 nan 8.270 nan 0.000 0.477 398 M N 1.174 120.880 119.600 0.176 0.000 2.211 398 M HA 0.113 4.592 4.480 -0.001 0.000 0.356 398 M C 0.082 176.476 176.300 0.157 0.000 1.216 398 M CA -0.356 55.018 55.300 0.124 0.000 1.134 398 M CB 1.038 33.679 32.600 0.069 0.000 1.564 398 M HN -0.350 nan 8.290 nan 0.000 0.463 399 K N 3.895 124.374 120.400 0.133 0.000 2.312 399 K HA 0.393 4.713 4.320 -0.001 0.000 0.287 399 K C -1.433 175.217 176.600 0.083 0.000 1.062 399 K CA 0.100 56.471 56.287 0.140 0.000 0.934 399 K CB 0.182 32.760 32.500 0.129 0.000 1.027 399 K HN 0.599 nan 8.250 nan 0.000 0.478 400 L N 7.701 128.962 121.223 0.065 0.000 2.275 400 L HA 0.424 4.764 4.340 -0.001 0.000 0.288 400 L C -1.963 174.912 176.870 0.009 0.000 1.046 400 L CA -2.391 52.461 54.840 0.020 0.000 0.805 400 L CB 1.287 43.340 42.059 -0.010 0.000 1.193 400 L HN 0.561 nan 8.230 nan 0.000 0.426 401 P HA 0.050 nan 4.420 nan 0.000 0.268 401 P C -0.785 176.503 177.300 -0.021 0.000 1.205 401 P CA -0.399 62.701 63.100 -0.000 0.000 0.771 401 P CB 0.334 32.036 31.700 0.004 0.000 0.858 402 N N 1.736 120.416 118.700 -0.033 0.000 2.359 402 N HA 0.203 4.942 4.740 -0.001 0.000 0.261 402 N C 1.622 177.106 175.510 -0.043 0.000 1.267 402 N CA 1.833 54.849 53.050 -0.057 0.000 0.864 402 N CB -0.278 38.168 38.487 -0.067 0.000 1.063 402 N HN 0.754 nan 8.380 nan 0.000 0.474 403 G N 0.126 108.898 108.800 -0.047 0.000 2.284 403 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.216 403 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.216 403 G C 0.225 175.116 174.900 -0.014 0.000 1.009 403 G CA 0.071 45.152 45.100 -0.031 0.000 0.625 403 G HN 0.905 nan 8.290 nan 0.000 0.501 404 A N 1.297 124.108 122.820 -0.014 0.000 2.477 404 A HA 0.669 4.989 4.320 -0.001 0.000 0.246 404 A C 0.612 178.189 177.584 -0.012 0.000 1.078 404 A CA 0.400 52.432 52.037 -0.008 0.000 0.770 404 A CB 0.295 19.290 19.000 -0.009 0.000 1.011 404 A HN 0.437 nan 8.150 nan 0.000 0.494 405 R N 1.126 121.619 120.500 -0.010 0.000 2.711 405 R HA 0.645 4.984 4.340 -0.001 0.000 0.284 405 R C -1.362 174.887 176.300 -0.085 0.000 0.968 405 R CA -0.739 55.351 56.100 -0.015 0.000 0.924 405 R CB 1.644 31.964 30.300 0.032 0.000 1.162 405 R HN 0.422 nan 8.270 nan 0.000 0.465 406 V N 2.215 122.051 119.914 -0.130 0.000 2.540 406 V HA 0.316 4.436 4.120 -0.001 0.000 0.302 406 V C -0.323 175.594 176.094 -0.296 0.000 1.035 406 V CA -0.807 61.325 62.300 -0.279 0.000 0.873 406 V CB 2.246 33.811 31.823 -0.431 0.000 0.992 406 V HN 0.536 nan 8.190 nan 0.000 0.428 407 E N 3.410 123.446 120.200 -0.274 0.000 2.145 407 E HA 0.490 4.839 4.350 -0.001 0.000 0.270 407 E C -1.599 174.989 176.600 -0.021 0.000 0.906 407 E CA -0.412 55.942 56.400 -0.077 0.000 0.761 407 E CB 2.078 31.802 29.700 0.041 0.000 1.116 407 E HN 0.517 nan 8.360 nan 0.000 0.408 408 Y N 0.403 120.701 120.300 -0.005 0.000 2.468 408 Y HA 0.237 4.787 4.550 -0.001 0.000 0.342 408 Y C 0.740 176.398 175.900 -0.403 0.000 1.021 408 Y CA -0.975 57.011 58.100 -0.190 0.000 1.079 408 Y CB 1.650 39.850 38.460 -0.434 0.000 1.226 408 Y HN 0.399 nan 8.280 nan 0.000 0.460 409 E N 3.261 123.195 120.200 -0.443 0.000 3.312 409 E HA 0.207 4.556 4.350 -0.001 0.000 0.215 409 E C 0.107 176.611 176.600 -0.160 0.000 1.160 409 E CA 0.049 56.083 56.400 -0.610 0.000 1.267 409 E CB 0.123 28.925 29.700 -1.497 0.000 1.361 409 E HN 0.821 nan 8.360 nan 0.000 0.433 410 M N 0.627 120.087 119.600 -0.234 0.000 2.558 410 M HA -0.065 4.414 4.480 -0.001 0.000 0.255 410 M C 1.863 178.115 176.300 -0.080 0.000 1.113 410 M CA 0.753 55.873 55.300 -0.300 0.000 1.097 410 M CB 0.332 32.432 32.600 -0.833 0.000 1.426 410 M HN 0.180 nan 8.290 nan 0.000 0.488 411 Q N -0.017 119.763 119.800 -0.032 0.000 2.134 411 Q HA -0.099 4.240 4.340 -0.001 0.000 0.195 411 Q C 1.774 177.868 176.000 0.156 0.000 0.958 411 Q CA 1.496 57.322 55.803 0.038 0.000 0.840 411 Q CB -0.286 28.488 28.738 0.060 0.000 0.918 411 Q HN 0.623 nan 8.270 nan 0.000 0.467 412 W N 0.518 121.801 121.300 -0.028 0.000 2.441 412 W HA 0.085 4.745 4.660 -0.001 0.000 0.302 412 W C 0.562 177.115 176.519 0.056 0.000 1.191 412 W CA 1.440 58.804 57.345 0.032 0.000 1.327 412 W CB -0.018 29.484 29.460 0.069 0.000 1.128 412 W HN 0.384 nan 8.180 nan 0.000 0.522 413 G N 1.448 110.348 108.800 0.166 0.000 2.295 413 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.287 413 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.287 413 G C -0.179 174.740 174.900 0.032 0.000 1.055 413 G CA 0.418 45.599 45.100 0.135 0.000 0.922 413 G HN 0.553 nan 8.290 nan 0.000 0.503 414 H N 0.667 119.744 119.070 0.012 0.000 2.800 414 H HA 0.389 4.945 4.556 -0.001 0.000 0.291 414 H C 1.351 176.726 175.328 0.078 0.000 1.076 414 H CA -0.146 55.936 56.048 0.057 0.000 1.452 414 H CB 0.288 30.255 29.762 0.341 0.000 1.461 414 H HN 0.637 nan 8.280 nan 0.000 0.488 415 I N 1.444 122.074 120.570 0.100 0.000 2.692 415 I HA 0.281 4.451 4.170 -0.001 0.000 0.284 415 I C 1.124 177.413 176.117 0.287 0.000 1.159 415 I CA 0.772 62.155 61.300 0.138 0.000 1.423 415 I CB 0.759 38.765 38.000 0.011 0.000 1.380 415 I HN 0.757 nan 8.210 nan 0.000 0.580 416 G N 4.856 113.780 108.800 0.206 0.000 2.213 416 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.236 416 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.236 416 G C 0.396 175.321 174.900 0.042 0.000 0.991 416 G CA 0.482 45.672 45.100 0.149 0.000 0.629 416 G HN 1.093 nan 8.290 nan 0.000 0.517 417 W N 2.757 123.908 121.300 -0.248 0.000 2.321 417 W HA -0.153 4.507 4.660 -0.001 0.000 0.306 417 W C 2.546 178.899 176.519 -0.278 0.000 1.217 417 W CA 3.485 60.424 57.345 -0.677 0.000 1.257 417 W CB -0.489 28.603 29.460 -0.614 0.000 1.145 417 W HN 0.703 nan 8.180 nan 0.000 0.509 418 S N -0.133 115.412 115.700 -0.259 0.000 2.399 418 S HA -0.210 4.260 4.470 -0.001 0.000 0.231 418 S C 1.681 176.032 174.600 -0.415 0.000 1.022 418 S CA 1.648 59.495 58.200 -0.590 0.000 0.983 418 S CB -1.046 62.124 63.200 -0.050 0.000 0.803 418 S HN 0.195 nan 8.310 nan 0.000 0.480 419 V N 3.227 123.020 119.914 -0.202 0.000 2.255 419 V HA -0.014 4.106 4.120 -0.001 0.000 0.243 419 V C -0.392 175.649 176.094 -0.089 0.000 1.038 419 V CA 1.705 63.951 62.300 -0.090 0.000 1.008 419 V CB -1.714 30.065 31.823 -0.073 0.000 0.645 419 V HN 0.382 nan 8.190 nan 0.000 0.449 420 P HA -0.080 nan 4.420 nan 0.000 0.218 420 P C 1.617 178.892 177.300 -0.043 0.000 1.149 420 P CA 1.835 64.940 63.100 0.009 0.000 0.817 420 P CB -0.142 31.604 31.700 0.077 0.000 0.785 421 A N 0.326 122.944 122.820 -0.337 0.000 1.902 421 A HA -0.115 4.205 4.320 -0.001 0.000 0.217 421 A C 2.348 179.797 177.584 -0.225 0.000 1.181 421 A CA 2.168 53.939 52.037 -0.443 0.000 0.623 421 A CB -1.596 16.617 19.000 -1.311 0.000 0.818 421 A HN 0.205 nan 8.150 nan 0.000 0.443 422 A N -1.155 121.533 122.820 -0.219 0.000 1.930 422 A HA 0.024 4.343 4.320 -0.001 0.000 0.217 422 A C 2.006 179.647 177.584 0.096 0.000 1.175 422 A CA 1.533 53.536 52.037 -0.057 0.000 0.627 422 A CB -0.694 18.274 19.000 -0.053 0.000 0.815 422 A HN 0.707 nan 8.150 nan 0.000 0.443 423 F N 1.341 121.273 119.950 -0.030 0.000 2.046 423 F HA -0.076 4.451 4.527 -0.001 0.000 0.297 423 F C 2.295 178.139 175.800 0.074 0.000 1.123 423 F CA 1.764 59.777 58.000 0.021 0.000 1.199 423 F CB -0.941 38.058 39.000 -0.001 0.000 0.972 423 F HN 0.177 nan 8.300 nan 0.000 0.474 424 G N -1.381 107.308 108.800 -0.185 0.000 2.440 424 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.218 424 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.218 424 G C 1.652 176.551 174.900 -0.002 0.000 1.154 424 G CA 0.983 45.949 45.100 -0.224 0.000 0.767 424 G HN 0.532 nan 8.290 nan 0.000 0.552 425 Y N 1.854 122.100 120.300 -0.090 0.000 2.181 425 Y HA -0.011 4.539 4.550 -0.001 0.000 0.288 425 Y C 2.954 178.795 175.900 -0.097 0.000 1.146 425 Y CA 1.560 59.613 58.100 -0.079 0.000 1.164 425 Y CB -0.240 38.180 38.460 -0.067 0.000 0.982 425 Y HN 0.248 nan 8.280 nan 0.000 0.515 426 A N -1.011 121.858 122.820 0.083 0.000 1.969 426 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 426 A C 2.274 179.787 177.584 -0.119 0.000 1.169 426 A CA 1.725 53.773 52.037 0.018 0.000 0.635 426 A CB -1.187 17.852 19.000 0.065 0.000 0.810 426 A HN 0.333 nan 8.150 nan 0.000 0.445 427 V N -0.392 119.393 119.914 -0.215 0.000 2.427 427 V HA -0.141 3.979 4.120 -0.001 0.000 0.248 427 V C 2.635 178.567 176.094 -0.270 0.000 1.051 427 V CA 1.921 64.040 62.300 -0.303 0.000 1.048 427 V CB -1.014 30.548 31.823 -0.434 0.000 0.666 427 V HN 0.612 nan 8.190 nan 0.000 0.456 428 G N -0.981 107.672 108.800 -0.245 0.000 2.603 428 G HA2 0.265 4.224 3.960 -0.001 0.000 0.214 428 G HA3 0.265 4.224 3.960 -0.001 0.000 0.214 428 G C 0.699 175.349 174.900 -0.417 0.000 1.140 428 G CA 0.740 45.548 45.100 -0.487 0.000 0.800 428 G HN 0.641 nan 8.290 nan 0.000 0.533 429 A N 0.442 123.034 122.820 -0.380 0.000 3.317 429 A HA 0.650 4.969 4.320 -0.001 0.000 0.307 429 A C -1.757 175.753 177.584 -0.123 0.000 1.003 429 A CA -0.800 51.066 52.037 -0.286 0.000 0.882 429 A CB 1.076 19.808 19.000 -0.447 0.000 1.136 429 A HN 0.035 nan 8.150 nan 0.000 0.488 430 P HA -0.122 nan 4.420 nan 0.000 0.229 430 P C 1.263 178.559 177.300 -0.007 0.000 1.160 430 P CA 1.003 64.086 63.100 -0.029 0.000 0.777 430 P CB 0.302 31.989 31.700 -0.020 0.000 0.814 431 E N 0.358 120.547 120.200 -0.019 0.000 2.427 431 E HA -0.062 4.288 4.350 -0.001 0.000 0.196 431 E C 0.467 177.073 176.600 0.010 0.000 1.028 431 E CA 0.446 56.842 56.400 -0.005 0.000 0.864 431 E CB -0.172 29.518 29.700 -0.016 0.000 0.813 431 E HN 0.267 nan 8.360 nan 0.000 0.514 432 R N 0.808 121.323 120.500 0.024 0.000 2.596 432 R HA 0.382 4.722 4.340 -0.001 0.000 0.267 432 R C 0.250 176.590 176.300 0.066 0.000 1.026 432 R CA -0.807 55.326 56.100 0.055 0.000 1.087 432 R CB 1.198 31.559 30.300 0.102 0.000 1.132 432 R HN -0.042 nan 8.270 nan 0.000 0.531 433 R N 2.090 122.629 120.500 0.065 0.000 2.248 433 R HA 0.084 4.423 4.340 -0.001 0.000 0.337 433 R C -0.967 175.381 176.300 0.079 0.000 1.085 433 R CA -0.205 55.934 56.100 0.066 0.000 0.934 433 R CB 0.207 30.542 30.300 0.059 0.000 1.034 433 R HN 0.489 nan 8.270 nan 0.000 0.465 434 N N 6.114 124.865 118.700 0.086 0.000 2.437 434 N HA 0.273 5.013 4.740 -0.001 0.000 0.259 434 N C -0.656 174.896 175.510 0.071 0.000 0.983 434 N CA -0.210 52.890 53.050 0.083 0.000 0.937 434 N CB 1.532 40.094 38.487 0.126 0.000 1.122 434 N HN 0.527 nan 8.380 nan 0.000 0.499 435 I N 2.230 122.837 120.570 0.061 0.000 2.433 435 I HA 0.293 4.463 4.170 -0.001 0.000 0.292 435 I C -0.603 175.571 176.117 0.096 0.000 1.001 435 I CA -1.019 60.355 61.300 0.123 0.000 1.119 435 I CB 1.981 40.092 38.000 0.185 0.000 1.289 435 I HN 0.159 nan 8.210 nan 0.000 0.438 436 L N 7.742 129.045 121.223 0.133 0.000 2.325 436 L HA 0.562 4.902 4.340 -0.001 0.000 0.281 436 L C -0.928 176.056 176.870 0.190 0.000 1.004 436 L CA -0.206 54.699 54.840 0.108 0.000 0.823 436 L CB 1.313 43.415 42.059 0.071 0.000 1.236 436 L HN 0.524 nan 8.230 nan 0.000 0.415 437 M N 6.217 125.915 119.600 0.165 0.000 2.101 437 M HA 0.546 5.026 4.480 -0.001 0.000 0.340 437 M C -1.194 175.190 176.300 0.140 0.000 1.057 437 M CA -0.610 54.793 55.300 0.171 0.000 0.984 437 M CB 1.758 34.436 32.600 0.130 0.000 1.560 437 M HN 0.494 nan 8.290 nan 0.000 0.435 438 V N 2.890 122.867 119.914 0.106 0.000 2.851 438 V HA 0.803 4.922 4.120 -0.001 0.000 0.307 438 V C -0.220 175.878 176.094 0.007 0.000 1.129 438 V CA -0.340 62.011 62.300 0.084 0.000 0.932 438 V CB 2.307 34.212 31.823 0.136 0.000 1.024 438 V HN 0.924 nan 8.190 nan 0.000 0.426 439 G N 3.324 112.123 108.800 -0.001 0.000 2.539 439 G HA2 0.338 4.298 3.960 -0.001 0.000 0.258 439 G HA3 0.338 4.298 3.960 -0.001 0.000 0.258 439 G C 0.612 175.438 174.900 -0.122 0.000 1.202 439 G CA 0.425 45.489 45.100 -0.060 0.000 0.851 439 G HN 0.984 nan 8.290 nan 0.000 0.556 440 D N 0.759 121.019 120.400 -0.234 0.000 2.104 440 D HA -0.134 4.506 4.640 -0.001 0.000 0.194 440 D C 2.259 178.462 176.300 -0.162 0.000 0.994 440 D CA 1.582 55.347 54.000 -0.393 0.000 0.830 440 D CB -1.042 39.508 40.800 -0.416 0.000 0.959 440 D HN 0.486 nan 8.370 nan 0.000 0.452 441 G N 0.075 108.821 108.800 -0.090 0.000 2.440 441 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.218 441 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.218 441 G C 1.811 176.694 174.900 -0.028 0.000 1.154 441 G CA 1.407 46.471 45.100 -0.060 0.000 0.767 441 G HN 0.402 nan 8.290 nan 0.000 0.552 442 S N 0.369 116.069 115.700 -0.000 0.000 2.387 442 S HA -0.049 4.421 4.470 -0.001 0.000 0.226 442 S C 1.883 176.529 174.600 0.075 0.000 1.026 442 S CA 0.835 59.060 58.200 0.041 0.000 0.972 442 S CB -0.391 62.841 63.200 0.053 0.000 0.814 442 S HN 0.380 nan 8.310 nan 0.000 0.477 443 F N 2.710 122.613 119.950 -0.078 0.000 2.154 443 F HA -0.193 4.334 4.527 -0.001 0.000 0.301 443 F C 2.349 178.145 175.800 -0.007 0.000 1.087 443 F CA 1.530 59.501 58.000 -0.048 0.000 1.274 443 F CB -0.434 38.489 39.000 -0.129 0.000 1.009 443 F HN 0.191 nan 8.300 nan 0.000 0.485 444 Q N -0.314 119.454 119.800 -0.052 0.000 2.226 444 Q HA -0.178 4.161 4.340 -0.001 0.000 0.204 444 Q C 2.083 178.101 176.000 0.030 0.000 0.975 444 Q CA 1.318 57.023 55.803 -0.163 0.000 0.866 444 Q CB -0.268 28.259 28.738 -0.352 0.000 0.915 444 Q HN 0.405 nan 8.270 nan 0.000 0.440 445 L N -0.121 121.120 121.223 0.029 0.000 2.201 445 L HA -0.101 4.239 4.340 -0.001 0.000 0.212 445 L C 1.838 178.762 176.870 0.090 0.000 1.105 445 L CA 1.713 56.612 54.840 0.098 0.000 0.775 445 L CB -0.034 42.111 42.059 0.143 0.000 0.913 445 L HN 0.287 nan 8.230 nan 0.000 0.440 446 T N -6.093 108.458 114.554 -0.004 0.000 3.399 446 T HA 0.378 4.728 4.350 -0.001 0.000 0.305 446 T C 1.408 176.008 174.700 -0.167 0.000 0.983 446 T CA 0.193 62.276 62.100 -0.029 0.000 0.967 446 T CB 0.082 68.953 68.868 0.004 0.000 1.186 446 T HN 0.041 nan 8.240 nan 0.000 0.504 447 A N 2.753 125.418 122.820 -0.259 0.000 1.948 447 A HA -0.215 4.105 4.320 -0.001 0.000 0.220 447 A C 2.460 179.974 177.584 -0.115 0.000 1.177 447 A CA 1.884 53.643 52.037 -0.464 0.000 0.636 447 A CB -0.613 18.284 19.000 -0.172 0.000 0.815 447 A HN 0.704 nan 8.150 nan 0.000 0.449 448 Q N -0.595 119.179 119.800 -0.044 0.000 2.364 448 Q HA -0.188 4.152 4.340 -0.001 0.000 0.209 448 Q C 1.226 176.973 176.000 -0.421 0.000 0.977 448 Q CA 1.725 57.408 55.803 -0.201 0.000 0.885 448 Q CB -0.407 28.279 28.738 -0.087 0.000 0.941 448 Q HN 0.598 nan 8.270 nan 0.000 0.464 449 E N 0.903 120.925 120.200 -0.298 0.000 2.347 449 E HA -0.020 4.330 4.350 -0.001 0.000 0.196 449 E C 1.842 178.203 176.600 -0.398 0.000 1.008 449 E CA 0.324 56.503 56.400 -0.369 0.000 0.852 449 E CB -0.046 29.495 29.700 -0.265 0.000 0.783 449 E HN 0.218 nan 8.360 nan 0.000 0.505 450 V N 0.371 120.122 119.914 -0.271 0.000 2.490 450 V HA -0.283 3.836 4.120 -0.001 0.000 0.250 450 V C 2.229 178.159 176.094 -0.273 0.000 1.061 450 V CA 1.643 63.879 62.300 -0.107 0.000 1.064 450 V CB -0.798 31.172 31.823 0.244 0.000 0.670 450 V HN 0.382 nan 8.190 nan 0.000 0.461 451 A N -0.584 121.798 122.820 -0.729 0.000 1.978 451 A HA -0.235 4.085 4.320 -0.001 0.000 0.220 451 A C 2.184 179.580 177.584 -0.314 0.000 1.170 451 A CA 1.524 53.183 52.037 -0.631 0.000 0.636 451 A CB -0.337 18.128 19.000 -0.891 0.000 0.810 451 A HN 0.547 nan 8.150 nan 0.000 0.448 452 Q N -0.688 118.864 119.800 -0.414 0.000 2.172 452 Q HA -0.026 4.313 4.340 -0.001 0.000 0.200 452 Q C 2.097 178.018 176.000 -0.131 0.000 0.964 452 Q CA 1.280 56.844 55.803 -0.399 0.000 0.855 452 Q CB -0.509 27.656 28.738 -0.955 0.000 0.918 452 Q HN 0.789 nan 8.270 nan 0.000 0.444 453 M N -0.102 119.446 119.600 -0.087 0.000 2.108 453 M HA -0.155 4.324 4.480 -0.001 0.000 0.261 453 M C 2.236 178.611 176.300 0.124 0.000 1.066 453 M CA 1.179 56.585 55.300 0.177 0.000 1.107 453 M CB -0.363 32.337 32.600 0.166 0.000 1.356 453 M HN -0.030 nan 8.290 nan 0.000 0.406 454 V N 0.077 120.031 119.914 0.066 0.000 2.295 454 V HA -0.271 3.848 4.120 -0.001 0.000 0.246 454 V C 2.405 178.545 176.094 0.077 0.000 1.049 454 V CA 1.932 64.281 62.300 0.082 0.000 1.024 454 V CB -0.813 31.068 31.823 0.096 0.000 0.648 454 V HN 0.468 nan 8.190 nan 0.000 0.447 455 R N -0.135 120.398 120.500 0.055 0.000 2.091 455 R HA -0.119 4.220 4.340 -0.001 0.000 0.238 455 R C 1.904 178.260 176.300 0.093 0.000 1.136 455 R CA 1.584 57.724 56.100 0.066 0.000 0.959 455 R CB -0.155 30.172 30.300 0.045 0.000 0.856 455 R HN 0.454 nan 8.270 nan 0.000 0.437 456 L N 0.573 121.874 121.223 0.131 0.000 2.628 456 L HA 0.156 4.495 4.340 -0.001 0.000 0.229 456 L C 0.064 176.996 176.870 0.104 0.000 1.137 456 L CA 0.137 55.055 54.840 0.130 0.000 0.909 456 L CB 0.126 42.295 42.059 0.184 0.000 1.137 456 L HN 0.169 nan 8.230 nan 0.000 0.470 457 K N 0.693 121.152 120.400 0.099 0.000 3.117 457 K HA -0.164 4.156 4.320 -0.001 0.000 0.269 457 K C -0.454 176.195 176.600 0.081 0.000 1.098 457 K CA 0.402 56.738 56.287 0.081 0.000 0.785 457 K CB -1.921 30.617 32.500 0.064 0.000 1.242 457 K HN 0.297 nan 8.250 nan 0.000 0.491 458 L N 0.847 122.132 121.223 0.104 0.000 2.290 458 L HA 0.243 4.582 4.340 -0.001 0.000 0.284 458 L C -1.640 175.282 176.870 0.088 0.000 1.078 458 L CA -2.142 52.756 54.840 0.095 0.000 0.815 458 L CB 0.455 42.589 42.059 0.126 0.000 1.162 458 L HN -0.149 nan 8.230 nan 0.000 0.435 459 P HA 0.079 nan 4.420 nan 0.000 0.220 459 P C -0.214 177.120 177.300 0.057 0.000 1.778 459 P CA -0.118 63.016 63.100 0.057 0.000 0.912 459 P CB -0.070 31.657 31.700 0.046 0.000 1.861 460 V N 1.553 121.510 119.914 0.071 0.000 2.637 460 V HA 0.057 4.177 4.120 -0.001 0.000 0.296 460 V C 0.965 177.074 176.094 0.026 0.000 1.046 460 V CA 0.017 62.356 62.300 0.066 0.000 1.066 460 V CB 0.444 32.322 31.823 0.093 0.000 0.968 460 V HN 0.185 nan 8.190 nan 0.000 0.483 461 I N 5.957 126.529 120.570 0.003 0.000 2.312 461 I HA 0.409 4.579 4.170 -0.001 0.000 0.290 461 I C -0.257 175.769 176.117 -0.151 0.000 1.008 461 I CA -0.106 61.131 61.300 -0.105 0.000 1.226 461 I CB 0.944 38.881 38.000 -0.105 0.000 1.371 461 I HN 0.436 nan 8.210 nan 0.000 0.468 462 I N 6.471 126.905 120.570 -0.227 0.000 2.330 462 I HA 0.279 4.449 4.170 -0.001 0.000 0.289 462 I C -0.748 175.170 176.117 -0.333 0.000 1.001 462 I CA -0.426 60.782 61.300 -0.152 0.000 1.193 462 I CB 0.857 38.834 38.000 -0.038 0.000 1.345 462 I HN 0.364 nan 8.210 nan 0.000 0.461 463 F N 6.819 126.755 119.950 -0.024 0.000 2.368 463 F HA 0.252 4.778 4.527 -0.001 0.000 0.362 463 F C 0.105 175.842 175.800 -0.105 0.000 1.137 463 F CA -0.497 57.474 58.000 -0.049 0.000 1.161 463 F CB 0.731 39.721 39.000 -0.018 0.000 1.265 463 F HN 0.299 nan 8.300 nan 0.000 0.530 464 L N 6.165 127.335 121.223 -0.089 0.000 2.261 464 L HA 0.386 4.725 4.340 -0.001 0.000 0.289 464 L C -0.537 176.194 176.870 -0.232 0.000 1.059 464 L CA -0.390 54.289 54.840 -0.267 0.000 0.816 464 L CB 0.363 42.101 42.059 -0.535 0.000 1.191 464 L HN 0.351 nan 8.230 nan 0.000 0.431 465 I N 5.390 125.855 120.570 -0.176 0.000 2.294 465 I HA 0.120 4.289 4.170 -0.001 0.000 0.295 465 I C 0.502 176.489 176.117 -0.217 0.000 1.098 465 I CA -0.127 61.091 61.300 -0.137 0.000 1.277 465 I CB -0.002 37.972 38.000 -0.044 0.000 1.434 465 I HN 0.535 nan 8.210 nan 0.000 0.498 466 N N 6.691 125.218 118.700 -0.288 0.000 2.645 466 N HA 0.087 4.827 4.740 -0.001 0.000 0.233 466 N C 0.219 175.676 175.510 -0.088 0.000 1.058 466 N CA -0.221 52.660 53.050 -0.281 0.000 0.942 466 N CB 0.203 38.366 38.487 -0.541 0.000 1.210 466 N HN 0.455 nan 8.380 nan 0.000 0.512 467 N N 2.914 121.628 118.700 0.024 0.000 2.328 467 N HA 0.015 4.755 4.740 -0.001 0.000 0.247 467 N C -0.405 175.252 175.510 0.245 0.000 1.165 467 N CA -0.617 52.504 53.050 0.118 0.000 0.873 467 N CB -0.542 38.010 38.487 0.109 0.000 1.125 467 N HN 0.314 nan 8.380 nan 0.000 0.513 468 Y N 1.512 121.849 120.300 0.062 0.000 3.389 468 Y HA -0.169 4.380 4.550 -0.001 0.000 0.213 468 Y C 1.180 177.133 175.900 0.088 0.000 1.272 468 Y CA 0.843 58.997 58.100 0.089 0.000 1.444 468 Y CB -1.644 36.878 38.460 0.103 0.000 1.445 468 Y HN 0.658 nan 8.280 nan 0.000 0.583 469 G N 0.009 108.850 108.800 0.070 0.000 2.143 469 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.248 469 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.248 469 G C -0.048 174.846 174.900 -0.011 0.000 0.991 469 G CA -0.027 45.052 45.100 -0.035 0.000 0.689 469 G HN 1.036 nan 8.290 nan 0.000 0.522 470 Y N 2.753 123.032 120.300 -0.035 0.000 2.537 470 Y HA 0.450 4.999 4.550 -0.001 0.000 0.339 470 Y C 1.095 176.983 175.900 -0.020 0.000 1.066 470 Y CA 0.837 58.923 58.100 -0.022 0.000 1.357 470 Y CB 0.497 38.961 38.460 0.007 0.000 1.175 470 Y HN 0.456 nan 8.280 nan 0.000 0.525 471 T N 2.340 116.583 114.554 -0.519 0.000 2.864 471 T HA 0.238 4.587 4.350 -0.001 0.000 0.289 471 T C 0.583 174.983 174.700 -0.499 0.000 1.082 471 T CA -0.794 61.098 62.100 -0.347 0.000 1.009 471 T CB 1.167 69.924 68.868 -0.185 0.000 1.234 471 T HN 0.520 nan 8.240 nan 0.000 0.526 472 I N 0.876 121.304 120.570 -0.236 0.000 2.423 472 I HA -0.025 4.145 4.170 -0.001 0.000 0.254 472 I C 2.028 178.049 176.117 -0.160 0.000 1.151 472 I CA 1.488 62.686 61.300 -0.170 0.000 1.421 472 I CB -0.946 37.023 38.000 -0.052 0.000 1.079 472 I HN 0.763 nan 8.210 nan 0.000 0.431 473 E N -0.268 119.850 120.200 -0.138 0.000 2.153 473 E HA -0.152 4.198 4.350 -0.001 0.000 0.194 473 E C 2.297 178.855 176.600 -0.070 0.000 0.988 473 E CA 1.285 57.654 56.400 -0.052 0.000 0.811 473 E CB -0.392 29.302 29.700 -0.009 0.000 0.746 473 E HN 0.379 nan 8.360 nan 0.000 0.466 474 V N 0.690 120.467 119.914 -0.229 0.000 2.490 474 V HA -0.253 3.866 4.120 -0.001 0.000 0.250 474 V C 2.186 178.214 176.094 -0.110 0.000 1.061 474 V CA 1.935 64.103 62.300 -0.219 0.000 1.064 474 V CB -0.395 31.170 31.823 -0.430 0.000 0.670 474 V HN 0.361 nan 8.190 nan 0.000 0.461 475 M N -0.022 119.506 119.600 -0.120 0.000 2.325 475 M HA 0.011 4.490 4.480 -0.001 0.000 0.265 475 M C 2.012 178.303 176.300 -0.015 0.000 1.094 475 M CA 1.819 57.112 55.300 -0.011 0.000 1.161 475 M CB 0.105 32.722 32.600 0.029 0.000 1.358 475 M HN 0.423 nan 8.290 nan 0.000 0.446 476 I N -3.511 117.049 120.570 -0.018 0.000 3.265 476 I HA 0.103 4.272 4.170 -0.001 0.000 0.282 476 I C 0.287 176.420 176.117 0.025 0.000 1.207 476 I CA 0.591 61.888 61.300 -0.006 0.000 1.449 476 I CB -0.144 37.849 38.000 -0.012 0.000 1.121 476 I HN 0.261 nan 8.210 nan 0.000 0.442 477 H N 1.512 120.572 119.070 -0.018 0.000 2.490 477 H HA 0.328 4.883 4.556 -0.001 0.000 0.230 477 H C -1.206 174.151 175.328 0.050 0.000 1.417 477 H CA -0.631 55.433 56.048 0.027 0.000 1.449 477 H CB 0.270 30.059 29.762 0.045 0.000 1.649 477 H HN 0.130 nan 8.280 nan 0.000 0.519 478 D N 1.127 121.563 120.400 0.061 0.000 2.382 478 D HA 0.467 5.107 4.640 -0.001 0.000 0.245 478 D C 0.358 176.589 176.300 -0.115 0.000 1.120 478 D CA 0.841 54.828 54.000 -0.021 0.000 0.890 478 D CB 1.228 41.995 40.800 -0.054 0.000 1.201 478 D HN 0.711 nan 8.370 nan 0.000 0.433 479 G N 2.124 110.682 108.800 -0.403 0.000 2.547 479 G HA2 0.312 4.271 3.960 -0.001 0.000 0.291 479 G HA3 0.312 4.271 3.960 -0.001 0.000 0.291 479 G C -2.378 172.026 174.900 -0.826 0.000 1.471 479 G CA -0.904 43.694 45.100 -0.836 0.000 0.798 479 G HN 0.226 nan 8.290 nan 0.000 0.504 480 P HA -0.062 nan 4.420 nan 0.000 0.221 480 P C 1.226 178.382 177.300 -0.241 0.000 1.145 480 P CA 1.151 64.072 63.100 -0.300 0.000 0.795 480 P CB -0.116 31.494 31.700 -0.150 0.000 0.775 481 Y N -1.976 118.313 120.300 -0.018 0.000 2.571 481 Y HA 0.093 4.642 4.550 -0.001 0.000 0.294 481 Y C 1.505 177.375 175.900 -0.049 0.000 1.141 481 Y CA 0.114 58.197 58.100 -0.029 0.000 1.308 481 Y CB -2.006 36.437 38.460 -0.029 0.000 1.002 481 Y HN -0.079 nan 8.280 nan 0.000 0.551 482 N N 0.310 118.999 118.700 -0.018 0.000 2.422 482 N HA -0.044 4.695 4.740 -0.001 0.000 0.181 482 N C -0.519 174.935 175.510 -0.094 0.000 1.080 482 N CA 0.283 53.323 53.050 -0.016 0.000 0.893 482 N CB -0.194 38.250 38.487 -0.071 0.000 0.973 482 N HN 0.367 nan 8.380 nan 0.000 0.456 483 N N 1.241 119.869 118.700 -0.120 0.000 2.524 483 N HA 0.286 5.026 4.740 -0.001 0.000 0.283 483 N C 0.298 175.729 175.510 -0.132 0.000 1.142 483 N CA -0.241 52.699 53.050 -0.184 0.000 0.984 483 N CB 1.663 40.047 38.487 -0.172 0.000 1.155 483 N HN 0.182 nan 8.380 nan 0.000 0.467 484 I N -2.742 117.713 120.570 -0.193 0.000 3.108 484 I HA 0.592 4.761 4.170 -0.001 0.000 0.312 484 I C -0.247 175.890 176.117 0.035 0.000 1.095 484 I CA -1.251 60.012 61.300 -0.060 0.000 1.000 484 I CB 1.942 39.910 38.000 -0.053 0.000 1.229 484 I HN 0.062 nan 8.210 nan 0.000 0.454 485 K N 3.066 123.548 120.400 0.136 0.000 2.312 485 K HA 0.206 4.525 4.320 -0.001 0.000 0.287 485 K C -0.483 176.294 176.600 0.296 0.000 1.062 485 K CA 0.109 56.550 56.287 0.256 0.000 0.934 485 K CB 0.350 33.026 32.500 0.293 0.000 1.027 485 K HN 0.692 nan 8.250 nan 0.000 0.478 486 N N 3.715 122.655 118.700 0.400 0.000 2.513 486 N HA 0.167 4.906 4.740 -0.001 0.000 0.268 486 N C -1.122 174.563 175.510 0.292 0.000 1.180 486 N CA -0.111 53.133 53.050 0.323 0.000 0.948 486 N CB 0.366 39.003 38.487 0.250 0.000 1.083 486 N HN 0.339 nan 8.380 nan 0.000 0.455 487 W N 0.629 121.735 121.300 -0.323 0.000 2.671 487 W HA 0.265 4.924 4.660 -0.001 0.000 0.360 487 W C -0.142 176.036 176.519 -0.569 0.000 1.128 487 W CA -0.866 56.158 57.345 -0.535 0.000 1.184 487 W CB 0.034 29.014 29.460 -0.800 0.000 1.415 487 W HN 0.437 nan 8.180 nan 0.000 0.604 488 D N 0.503 120.848 120.400 -0.093 0.000 2.483 488 D HA 0.087 4.727 4.640 -0.001 0.000 0.220 488 D C 0.552 176.838 176.300 -0.023 0.000 1.173 488 D CA -0.118 53.866 54.000 -0.027 0.000 0.964 488 D CB -0.158 40.645 40.800 0.006 0.000 1.046 488 D HN 0.168 nan 8.370 nan 0.000 0.517 489 Y N 2.226 122.615 120.300 0.149 0.000 2.224 489 Y HA -0.100 4.449 4.550 -0.001 0.000 0.289 489 Y C 2.488 178.401 175.900 0.022 0.000 1.146 489 Y CA 1.149 59.301 58.100 0.088 0.000 1.182 489 Y CB -0.466 37.923 38.460 -0.118 0.000 0.983 489 Y HN 0.498 nan 8.280 nan 0.000 0.524 490 A N 0.294 123.213 122.820 0.165 0.000 1.902 490 A HA -0.128 4.192 4.320 -0.001 0.000 0.217 490 A C 2.558 180.176 177.584 0.057 0.000 1.181 490 A CA 1.770 53.866 52.037 0.099 0.000 0.623 490 A CB -1.482 17.587 19.000 0.115 0.000 0.818 490 A HN 0.468 nan 8.150 nan 0.000 0.443 491 G N -0.718 108.105 108.800 0.039 0.000 2.509 491 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.218 491 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.218 491 G C 1.339 176.196 174.900 -0.072 0.000 1.124 491 G CA 0.962 46.054 45.100 -0.013 0.000 0.776 491 G HN 0.452 nan 8.290 nan 0.000 0.547 492 L N 0.169 121.347 121.223 -0.075 0.000 2.201 492 L HA 0.095 4.435 4.340 -0.001 0.000 0.212 492 L C 2.563 179.236 176.870 -0.327 0.000 1.105 492 L CA 1.180 55.872 54.840 -0.247 0.000 0.775 492 L CB -0.257 41.747 42.059 -0.092 0.000 0.913 492 L HN 0.069 nan 8.230 nan 0.000 0.440 493 M N -0.808 118.751 119.600 -0.068 0.000 2.080 493 M HA -0.168 4.311 4.480 -0.001 0.000 0.260 493 M C 2.130 178.444 176.300 0.023 0.000 1.068 493 M CA 1.498 56.824 55.300 0.042 0.000 1.109 493 M CB -1.124 31.523 32.600 0.078 0.000 1.342 493 M HN 0.241 nan 8.290 nan 0.000 0.405 494 E N -0.197 119.993 120.200 -0.017 0.000 2.150 494 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 494 E C 2.316 178.905 176.600 -0.019 0.000 0.985 494 E CA 0.817 57.215 56.400 -0.003 0.000 0.814 494 E CB -0.456 29.238 29.700 -0.010 0.000 0.752 494 E HN 0.298 nan 8.360 nan 0.000 0.466 495 V N 1.011 120.859 119.914 -0.109 0.000 2.287 495 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 495 V C 2.097 178.202 176.094 0.019 0.000 1.053 495 V CA 1.638 63.862 62.300 -0.126 0.000 1.027 495 V CB -0.563 31.078 31.823 -0.302 0.000 0.646 495 V HN 0.127 nan 8.190 nan 0.000 0.447 496 F N 0.600 120.576 119.950 0.042 0.000 2.325 496 F HA -0.031 4.495 4.527 -0.001 0.000 0.299 496 F C 2.284 178.109 175.800 0.042 0.000 1.090 496 F CA 0.612 58.638 58.000 0.043 0.000 1.392 496 F CB -1.202 37.832 39.000 0.057 0.000 1.053 496 F HN 0.221 nan 8.300 nan 0.000 0.521 497 N N 0.349 119.174 118.700 0.208 0.000 2.120 497 N HA -0.093 4.647 4.740 -0.001 0.000 0.188 497 N C 1.839 177.412 175.510 0.106 0.000 1.024 497 N CA 1.464 54.594 53.050 0.133 0.000 0.852 497 N CB -0.786 37.755 38.487 0.090 0.000 1.003 497 N HN 0.286 nan 8.380 nan 0.000 0.424 498 G N 1.099 109.954 108.800 0.091 0.000 2.305 498 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.287 498 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.287 498 G C -0.274 174.652 174.900 0.043 0.000 1.036 498 G CA -0.019 45.122 45.100 0.069 0.000 0.887 498 G HN 0.285 nan 8.290 nan 0.000 0.505 499 N N 0.478 119.199 118.700 0.034 0.000 2.458 499 N HA 0.398 5.137 4.740 -0.001 0.000 0.258 499 N C 1.362 176.872 175.510 -0.001 0.000 1.219 499 N CA 1.496 54.558 53.050 0.021 0.000 0.902 499 N CB 0.864 39.363 38.487 0.021 0.000 1.076 499 N HN 1.410 nan 8.380 nan 0.000 0.455 500 G N 0.198 108.992 108.800 -0.010 0.000 2.137 500 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.237 500 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.237 500 G C 0.465 175.324 174.900 -0.070 0.000 1.002 500 G CA 0.259 45.339 45.100 -0.033 0.000 0.702 500 G HN 0.892 nan 8.290 nan 0.000 0.515 501 G N -1.759 107.003 108.800 -0.064 0.000 3.217 501 G HA2 0.590 4.550 3.960 -0.001 0.000 0.213 501 G HA3 0.590 4.550 3.960 -0.001 0.000 0.213 501 G C 0.629 175.456 174.900 -0.121 0.000 1.294 501 G CA 0.006 45.023 45.100 -0.139 0.000 0.987 501 G HN 0.077 nan 8.290 nan 0.000 0.584 502 Y N 0.755 121.064 120.300 0.015 0.000 2.165 502 Y HA -0.012 4.538 4.550 -0.001 0.000 0.286 502 Y C 1.712 177.622 175.900 0.016 0.000 1.155 502 Y CA 1.754 59.862 58.100 0.013 0.000 1.164 502 Y CB -0.112 38.354 38.460 0.011 0.000 0.978 502 Y HN 0.617 nan 8.280 nan 0.000 0.513 503 D N -1.902 118.601 120.400 0.172 0.000 2.831 503 D HA 0.534 5.173 4.640 -0.001 0.000 0.240 503 D C -0.381 175.964 176.300 0.076 0.000 1.183 503 D CA -0.291 53.773 54.000 0.107 0.000 1.079 503 D CB 0.655 41.515 40.800 0.100 0.000 1.262 503 D HN 0.004 nan 8.370 nan 0.000 0.634 504 S N -2.612 113.130 115.700 0.069 0.000 2.688 504 S HA 0.841 5.310 4.470 -0.001 0.000 0.275 504 S C -0.508 174.132 174.600 0.068 0.000 1.175 504 S CA -0.492 57.744 58.200 0.060 0.000 0.818 504 S CB 1.478 64.706 63.200 0.048 0.000 1.157 504 S HN 1.213 nan 8.310 nan 0.000 0.482 505 G N -1.127 107.712 108.800 0.066 0.000 2.703 505 G HA2 0.707 4.667 3.960 -0.001 0.000 0.294 505 G HA3 0.707 4.667 3.960 -0.001 0.000 0.294 505 G C -0.566 174.375 174.900 0.067 0.000 1.451 505 G CA -0.229 44.916 45.100 0.075 0.000 0.869 505 G HN 1.510 nan 8.290 nan 0.000 0.516 506 A N 0.275 123.136 122.820 0.068 0.000 2.676 506 A HA 0.715 5.035 4.320 -0.001 0.000 0.297 506 A C 0.991 178.614 177.584 0.064 0.000 1.132 506 A CA 0.464 52.536 52.037 0.059 0.000 0.972 506 A CB -0.147 18.884 19.000 0.051 0.000 1.197 506 A HN 1.478 nan 8.150 nan 0.000 0.524 507 G N 0.033 108.882 108.800 0.082 0.000 2.539 507 G HA2 0.496 4.456 3.960 -0.001 0.000 0.258 507 G HA3 0.496 4.456 3.960 -0.001 0.000 0.258 507 G C -0.331 174.610 174.900 0.070 0.000 1.202 507 G CA -0.348 44.805 45.100 0.088 0.000 0.851 507 G HN 0.338 nan 8.290 nan 0.000 0.556 508 K N -0.189 120.246 120.400 0.058 0.000 2.427 508 K HA 0.547 4.867 4.320 -0.001 0.000 0.252 508 K C -0.368 176.254 176.600 0.036 0.000 0.931 508 K CA -0.700 55.612 56.287 0.041 0.000 0.793 508 K CB 2.543 35.059 32.500 0.026 0.000 1.211 508 K HN 0.600 nan 8.250 nan 0.000 0.426 509 G N 3.136 111.958 108.800 0.035 0.000 2.478 509 G HA2 0.631 4.591 3.960 -0.001 0.000 0.317 509 G HA3 0.631 4.591 3.960 -0.001 0.000 0.317 509 G C -0.879 174.042 174.900 0.035 0.000 1.259 509 G CA -0.504 44.616 45.100 0.034 0.000 0.933 509 G HN 0.359 nan 8.290 nan 0.000 0.478 510 L N 1.244 122.485 121.223 0.030 0.000 2.354 510 L HA 0.615 4.955 4.340 -0.001 0.000 0.264 510 L C -0.101 176.822 176.870 0.088 0.000 1.008 510 L CA -1.068 53.800 54.840 0.047 0.000 0.819 510 L CB 2.689 44.764 42.059 0.026 0.000 1.339 510 L HN 0.336 nan 8.230 nan 0.000 0.420 511 K N 1.224 121.699 120.400 0.126 0.000 2.203 511 K HA 0.853 5.173 4.320 -0.001 0.000 0.251 511 K C -1.001 175.711 176.600 0.187 0.000 0.944 511 K CA -0.663 55.764 56.287 0.232 0.000 0.829 511 K CB 2.354 35.005 32.500 0.252 0.000 1.125 511 K HN 0.662 nan 8.250 nan 0.000 0.430 512 A N 2.331 125.313 122.820 0.270 0.000 2.414 512 A HA 0.323 4.642 4.320 -0.001 0.000 0.286 512 A C -0.334 177.399 177.584 0.249 0.000 1.073 512 A CA -0.723 51.431 52.037 0.194 0.000 0.727 512 A CB 0.745 19.841 19.000 0.161 0.000 1.215 512 A HN 0.821 nan 8.150 nan 0.000 0.430 513 K N 0.791 121.266 120.400 0.125 0.000 2.402 513 K HA 0.168 4.487 4.320 -0.001 0.000 0.203 513 K C 0.307 176.945 176.600 0.063 0.000 1.077 513 K CA 0.853 57.193 56.287 0.089 0.000 1.051 513 K CB 1.020 33.482 32.500 -0.063 0.000 0.907 513 K HN 0.832 nan 8.250 nan 0.000 0.554 514 T N -4.226 110.363 114.554 0.059 0.000 2.883 514 T HA 0.364 4.713 4.350 -0.001 0.000 0.296 514 T C 1.154 175.885 174.700 0.052 0.000 1.117 514 T CA -0.500 61.627 62.100 0.044 0.000 1.006 514 T CB 1.763 70.645 68.868 0.025 0.000 1.191 514 T HN -0.010 nan 8.240 nan 0.000 0.508 515 G N 0.190 109.015 108.800 0.041 0.000 2.442 515 G HA2 0.042 4.002 3.960 -0.001 0.000 0.219 515 G HA3 0.042 4.002 3.960 -0.001 0.000 0.219 515 G C 1.444 176.370 174.900 0.043 0.000 1.141 515 G CA 0.878 46.002 45.100 0.041 0.000 0.763 515 G HN 1.139 nan 8.290 nan 0.000 0.554 516 G N 0.481 109.302 108.800 0.035 0.000 2.402 516 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.216 516 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.216 516 G C 1.611 176.535 174.900 0.040 0.000 1.162 516 G CA 1.003 46.123 45.100 0.033 0.000 0.777 516 G HN 0.521 nan 8.290 nan 0.000 0.539 517 E N -0.353 119.873 120.200 0.044 0.000 2.110 517 E HA -0.080 4.270 4.350 -0.001 0.000 0.193 517 E C 2.358 179.001 176.600 0.070 0.000 0.988 517 E CA 0.579 57.010 56.400 0.051 0.000 0.804 517 E CB -0.138 29.592 29.700 0.050 0.000 0.745 517 E HN 0.331 nan 8.360 nan 0.000 0.458 518 L N 0.995 122.269 121.223 0.085 0.000 2.046 518 L HA -0.111 4.228 4.340 -0.001 0.000 0.208 518 L C 2.198 179.134 176.870 0.109 0.000 1.077 518 L CA 1.952 56.861 54.840 0.114 0.000 0.747 518 L CB -0.640 41.493 42.059 0.123 0.000 0.896 518 L HN 0.031 nan 8.230 nan 0.000 0.432 519 A N -0.824 122.044 122.820 0.081 0.000 1.908 519 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 519 A C 2.129 179.752 177.584 0.064 0.000 1.181 519 A CA 1.719 53.799 52.037 0.071 0.000 0.627 519 A CB -0.546 18.485 19.000 0.052 0.000 0.818 519 A HN 0.530 nan 8.150 nan 0.000 0.445 520 E N -0.002 120.231 120.200 0.055 0.000 2.072 520 E HA -0.100 4.250 4.350 -0.001 0.000 0.191 520 E C 2.371 178.999 176.600 0.047 0.000 0.985 520 E CA 1.254 57.681 56.400 0.045 0.000 0.801 520 E CB -0.792 28.931 29.700 0.037 0.000 0.750 520 E HN 0.566 nan 8.360 nan 0.000 0.452 521 A N 1.376 124.229 122.820 0.055 0.000 1.908 521 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 521 A C 2.372 179.979 177.584 0.038 0.000 1.181 521 A CA 1.243 53.305 52.037 0.043 0.000 0.627 521 A CB -0.742 18.288 19.000 0.049 0.000 0.818 521 A HN 0.188 nan 8.150 nan 0.000 0.445 522 I N -0.582 120.035 120.570 0.078 0.000 2.208 522 I HA -0.292 3.877 4.170 -0.001 0.000 0.245 522 I C 2.498 178.654 176.117 0.065 0.000 1.097 522 I CA 1.604 62.962 61.300 0.098 0.000 1.363 522 I CB -0.258 37.845 38.000 0.172 0.000 1.051 522 I HN 0.325 nan 8.210 nan 0.000 0.413 523 K N 0.248 120.682 120.400 0.056 0.000 2.057 523 K HA -0.119 4.200 4.320 -0.001 0.000 0.206 523 K C 2.077 178.696 176.600 0.032 0.000 1.050 523 K CA 1.196 57.509 56.287 0.043 0.000 0.935 523 K CB -0.186 32.337 32.500 0.038 0.000 0.715 523 K HN 0.157 nan 8.250 nan 0.000 0.439 524 V N 1.443 121.373 119.914 0.027 0.000 2.407 524 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 524 V C 2.343 178.444 176.094 0.013 0.000 1.055 524 V CA 2.047 64.358 62.300 0.019 0.000 1.049 524 V CB -0.650 31.183 31.823 0.017 0.000 0.662 524 V HN 0.353 nan 8.190 nan 0.000 0.455 525 A N -0.313 122.509 122.820 0.004 0.000 1.898 525 A HA -0.103 4.217 4.320 -0.001 0.000 0.216 525 A C 2.188 179.777 177.584 0.008 0.000 1.181 525 A CA 1.527 53.556 52.037 -0.013 0.000 0.620 525 A CB -0.483 18.480 19.000 -0.062 0.000 0.819 525 A HN 0.496 nan 8.150 nan 0.000 0.442 526 L N -0.859 120.379 121.223 0.025 0.000 2.131 526 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 526 L C 2.886 179.773 176.870 0.029 0.000 1.092 526 L CA 0.970 55.830 54.840 0.034 0.000 0.759 526 L CB -0.370 41.715 42.059 0.043 0.000 0.903 526 L HN 0.444 nan 8.230 nan 0.000 0.435 527 A N -0.863 121.972 122.820 0.025 0.000 2.123 527 A HA -0.076 4.244 4.320 -0.001 0.000 0.214 527 A C 1.098 178.696 177.584 0.023 0.000 1.152 527 A CA 0.265 52.316 52.037 0.024 0.000 0.728 527 A CB -0.421 18.593 19.000 0.023 0.000 0.814 527 A HN 0.344 nan 8.150 nan 0.000 0.464 528 N N 1.236 119.950 118.700 0.022 0.000 2.402 528 N HA 0.091 4.830 4.740 -0.001 0.000 0.259 528 N C 0.883 176.410 175.510 0.029 0.000 1.167 528 N CA 0.882 53.947 53.050 0.025 0.000 0.949 528 N CB 0.613 39.114 38.487 0.022 0.000 1.212 528 N HN 0.297 nan 8.380 nan 0.000 0.493 529 T N -1.355 113.217 114.554 0.030 0.000 3.069 529 T HA 0.172 4.521 4.350 -0.001 0.000 0.252 529 T C 0.355 175.077 174.700 0.037 0.000 1.053 529 T CA 0.047 62.166 62.100 0.032 0.000 0.964 529 T CB 0.235 69.120 68.868 0.028 0.000 1.005 529 T HN 0.193 nan 8.240 nan 0.000 0.532 530 D N 1.062 121.486 120.400 0.039 0.000 2.369 530 D HA 0.374 5.013 4.640 -0.001 0.000 0.211 530 D C 0.959 177.291 176.300 0.053 0.000 1.077 530 D CA 0.332 54.358 54.000 0.043 0.000 0.842 530 D CB 1.049 41.873 40.800 0.040 0.000 0.947 530 D HN 0.642 nan 8.370 nan 0.000 0.509 531 G N 0.789 109.623 108.800 0.056 0.000 2.451 531 G HA2 0.334 4.293 3.960 -0.001 0.000 0.292 531 G HA3 0.334 4.293 3.960 -0.001 0.000 0.292 531 G C -3.127 171.813 174.900 0.067 0.000 1.427 531 G CA -0.925 44.217 45.100 0.069 0.000 0.792 531 G HN -0.299 nan 8.290 nan 0.000 0.498 532 P HA 0.369 nan 4.420 nan 0.000 0.274 532 P C -0.592 176.739 177.300 0.052 0.000 1.237 532 P CA 0.154 63.299 63.100 0.074 0.000 0.793 532 P CB 1.280 33.045 31.700 0.109 0.000 0.977 533 T N 2.387 116.949 114.554 0.012 0.000 2.847 533 T HA 0.393 4.743 4.350 -0.001 0.000 0.291 533 T C -0.260 174.396 174.700 -0.073 0.000 0.998 533 T CA -0.414 61.673 62.100 -0.022 0.000 0.967 533 T CB 0.560 69.398 68.868 -0.050 0.000 0.954 533 T HN 0.287 nan 8.240 nan 0.000 0.441 534 L N 5.152 126.349 121.223 -0.043 0.000 2.264 534 L HA 0.618 4.958 4.340 -0.001 0.000 0.289 534 L C -0.922 175.878 176.870 -0.117 0.000 1.044 534 L CA -0.755 54.032 54.840 -0.090 0.000 0.807 534 L CB 0.356 42.396 42.059 -0.032 0.000 1.192 534 L HN 0.644 nan 8.230 nan 0.000 0.425 535 I N 5.127 125.575 120.570 -0.203 0.000 2.330 535 I HA 0.226 4.396 4.170 -0.001 0.000 0.286 535 I C 0.038 176.100 176.117 -0.091 0.000 1.025 535 I CA -0.325 60.893 61.300 -0.136 0.000 1.197 535 I CB 1.370 39.246 38.000 -0.207 0.000 1.358 535 I HN 0.617 nan 8.210 nan 0.000 0.467 536 E N 6.300 126.475 120.200 -0.043 0.000 2.070 536 E HA 0.207 4.556 4.350 -0.001 0.000 0.282 536 E C -1.101 175.449 176.600 -0.083 0.000 1.104 536 E CA -0.545 55.781 56.400 -0.123 0.000 0.876 536 E CB 0.580 30.241 29.700 -0.066 0.000 1.055 536 E HN 0.617 nan 8.360 nan 0.000 0.401 537 C N 6.113 125.338 119.300 -0.126 0.000 2.265 537 C HA 0.342 4.802 4.460 -0.001 0.000 0.332 537 C C -0.357 174.571 174.990 -0.103 0.000 1.248 537 C CA -0.828 58.193 59.018 0.005 0.000 1.727 537 C CB -1.107 26.673 27.740 0.066 0.000 2.348 537 C HN 0.593 nan 8.230 nan 0.000 0.519 538 F N 4.990 124.961 119.950 0.035 0.000 2.404 538 F HA 0.578 5.105 4.527 -0.001 0.000 0.358 538 F C 0.678 176.492 175.800 0.023 0.000 1.120 538 F CA -0.483 57.536 58.000 0.032 0.000 1.144 538 F CB 0.364 39.381 39.000 0.029 0.000 1.133 538 F HN 0.489 nan 8.300 nan 0.000 0.495 539 I N -0.166 120.486 120.570 0.136 0.000 2.828 539 I HA 0.911 5.081 4.170 -0.001 0.000 0.302 539 I C 0.337 176.488 176.117 0.058 0.000 1.101 539 I CA -1.173 60.177 61.300 0.083 0.000 1.031 539 I CB 1.724 39.748 38.000 0.040 0.000 1.231 539 I HN 0.549 nan 8.210 nan 0.000 0.427 540 G N 2.971 111.781 108.800 0.016 0.000 2.684 540 G HA2 0.328 4.287 3.960 -0.001 0.000 0.255 540 G HA3 0.328 4.287 3.960 -0.001 0.000 0.255 540 G C -0.158 174.672 174.900 -0.117 0.000 1.219 540 G CA -0.761 44.324 45.100 -0.025 0.000 0.901 540 G HN 0.756 nan 8.290 nan 0.000 0.548 541 R N -0.601 119.782 120.500 -0.194 0.000 2.543 541 R HA 0.322 4.662 4.340 -0.001 0.000 0.268 541 R C 0.178 176.008 176.300 -0.784 0.000 1.067 541 R CA -0.284 55.501 56.100 -0.525 0.000 1.142 541 R CB 0.619 30.747 30.300 -0.287 0.000 1.110 541 R HN 0.757 nan 8.270 nan 0.000 0.549 542 E N -0.335 118.843 120.200 -1.703 0.000 2.971 542 E HA -0.222 4.128 4.350 -0.001 0.000 0.278 542 E C -0.907 175.498 176.600 -0.326 0.000 1.009 542 E CA 0.914 56.839 56.400 -0.791 0.000 0.862 542 E CB -0.759 28.742 29.700 -0.331 0.000 1.436 542 E HN 0.490 nan 8.360 nan 0.000 0.434 543 D N 0.760 120.979 120.400 -0.301 0.000 2.458 543 D HA 0.340 4.979 4.640 -0.001 0.000 0.258 543 D C -0.469 175.821 176.300 -0.017 0.000 1.134 543 D CA -0.345 53.590 54.000 -0.108 0.000 0.915 543 D CB 0.146 40.893 40.800 -0.088 0.000 1.028 543 D HN 0.279 nan 8.370 nan 0.000 0.508 544 C N 0.687 119.999 119.300 0.021 0.000 3.318 544 C HA 0.890 5.349 4.460 -0.001 0.000 0.329 544 C C 0.647 175.641 174.990 0.006 0.000 1.449 544 C CA -0.664 58.383 59.018 0.048 0.000 1.397 544 C CB 0.753 28.556 27.740 0.105 0.000 1.810 544 C HN 0.516 nan 8.230 nan 0.000 0.449 545 T N -1.215 113.334 114.554 -0.010 0.000 2.856 545 T HA 0.252 4.601 4.350 -0.001 0.000 0.306 545 T C 0.637 175.279 174.700 -0.097 0.000 1.062 545 T CA 0.336 62.413 62.100 -0.038 0.000 1.083 545 T CB 0.390 69.251 68.868 -0.011 0.000 0.984 545 T HN 0.816 nan 8.240 nan 0.000 0.542 546 E N 0.844 120.996 120.200 -0.079 0.000 2.150 546 E HA -0.123 4.227 4.350 -0.001 0.000 0.193 546 E C 2.085 178.592 176.600 -0.155 0.000 0.985 546 E CA 1.140 57.486 56.400 -0.090 0.000 0.814 546 E CB -0.039 29.628 29.700 -0.055 0.000 0.752 546 E HN 0.779 nan 8.360 nan 0.000 0.466 547 E N 0.896 120.979 120.200 -0.196 0.000 2.077 547 E HA -0.198 4.151 4.350 -0.001 0.000 0.193 547 E C 1.944 178.154 176.600 -0.650 0.000 0.989 547 E CA 0.648 56.871 56.400 -0.295 0.000 0.800 547 E CB -0.171 29.459 29.700 -0.118 0.000 0.746 547 E HN 0.095 nan 8.360 nan 0.000 0.452 548 L N 0.320 120.937 121.223 -1.009 0.000 2.042 548 L HA -0.184 4.156 4.340 -0.001 0.000 0.210 548 L C 2.017 178.669 176.870 -0.363 0.000 1.076 548 L CA 1.539 55.726 54.840 -1.089 0.000 0.749 548 L CB -0.416 41.221 42.059 -0.703 0.000 0.893 548 L HN 0.029 nan 8.230 nan 0.000 0.432 549 V N -0.305 119.465 119.914 -0.239 0.000 2.307 549 V HA -0.271 3.848 4.120 -0.001 0.000 0.245 549 V C 2.602 178.631 176.094 -0.108 0.000 1.045 549 V CA 2.107 64.334 62.300 -0.122 0.000 1.024 549 V CB -0.696 31.078 31.823 -0.081 0.000 0.651 549 V HN 0.449 nan 8.190 nan 0.000 0.449 550 K N -1.114 119.217 120.400 -0.115 0.000 2.002 550 K HA -0.263 4.057 4.320 -0.001 0.000 0.209 550 K C 1.999 178.548 176.600 -0.085 0.000 1.048 550 K CA 2.244 58.478 56.287 -0.088 0.000 0.930 550 K CB -0.379 32.076 32.500 -0.076 0.000 0.714 550 K HN 0.616 nan 8.250 nan 0.000 0.438 551 W N 1.362 122.476 121.300 -0.310 0.000 2.358 551 W HA -0.122 4.538 4.660 -0.001 0.000 0.303 551 W C 1.967 178.343 176.519 -0.238 0.000 1.208 551 W CA 1.926 59.078 57.345 -0.321 0.000 1.274 551 W CB -0.634 28.561 29.460 -0.443 0.000 1.138 551 W HN 0.101 nan 8.180 nan 0.000 0.515 552 G N 0.634 109.362 108.800 -0.119 0.000 2.440 552 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.218 552 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.218 552 G C 1.490 176.191 174.900 -0.332 0.000 1.154 552 G CA 1.229 46.152 45.100 -0.295 0.000 0.767 552 G HN 0.317 nan 8.290 nan 0.000 0.552 553 K N -0.184 120.085 120.400 -0.218 0.000 2.097 553 K HA 0.012 4.332 4.320 -0.001 0.000 0.205 553 K C 2.760 179.240 176.600 -0.199 0.000 1.050 553 K CA 0.560 56.748 56.287 -0.166 0.000 0.938 553 K CB -0.079 32.356 32.500 -0.108 0.000 0.718 553 K HN 0.027 nan 8.250 nan 0.000 0.442 554 R N 0.630 120.973 120.500 -0.261 0.000 2.081 554 R HA -0.071 4.268 4.340 -0.001 0.000 0.235 554 R C 2.300 178.418 176.300 -0.304 0.000 1.131 554 R CA 0.994 56.946 56.100 -0.247 0.000 0.960 554 R CB -0.858 29.290 30.300 -0.254 0.000 0.856 554 R HN 0.070 nan 8.270 nan 0.000 0.436 555 V N 1.228 120.823 119.914 -0.531 0.000 2.427 555 V HA -0.167 3.952 4.120 -0.001 0.000 0.248 555 V C 2.536 178.472 176.094 -0.263 0.000 1.051 555 V CA 1.667 63.663 62.300 -0.507 0.000 1.048 555 V CB -0.816 30.431 31.823 -0.959 0.000 0.666 555 V HN 0.299 nan 8.190 nan 0.000 0.456 556 A N 0.215 122.890 122.820 -0.241 0.000 1.902 556 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 556 A C 2.451 180.002 177.584 -0.054 0.000 1.181 556 A CA 2.117 54.089 52.037 -0.109 0.000 0.623 556 A CB -0.830 18.125 19.000 -0.076 0.000 0.818 556 A HN 0.559 nan 8.150 nan 0.000 0.443 557 A N -0.131 122.649 122.820 -0.067 0.000 1.908 557 A HA 0.109 4.428 4.320 -0.001 0.000 0.218 557 A C 2.519 180.108 177.584 0.009 0.000 1.181 557 A CA 2.309 54.331 52.037 -0.025 0.000 0.627 557 A CB -1.056 17.924 19.000 -0.033 0.000 0.818 557 A HN 1.077 nan 8.150 nan 0.000 0.445 558 A N 0.205 123.031 122.820 0.010 0.000 1.877 558 A HA -0.224 4.096 4.320 -0.001 0.000 0.216 558 A C 1.907 179.552 177.584 0.103 0.000 1.186 558 A CA 1.682 53.778 52.037 0.097 0.000 0.620 558 A CB -0.941 18.129 19.000 0.115 0.000 0.822 558 A HN 0.722 nan 8.150 nan 0.000 0.443 559 N N 0.098 118.831 118.700 0.055 0.000 2.205 559 N HA -0.146 4.593 4.740 -0.001 0.000 0.186 559 N C 1.578 177.114 175.510 0.044 0.000 1.015 559 N CA 1.459 54.542 53.050 0.055 0.000 0.862 559 N CB -0.103 38.397 38.487 0.021 0.000 0.986 559 N HN 0.634 nan 8.380 nan 0.000 0.429 560 S N 0.767 116.489 115.700 0.036 0.000 2.556 560 S HA 0.055 4.524 4.470 -0.001 0.000 0.216 560 S C 0.510 175.130 174.600 0.033 0.000 0.970 560 S CA -0.682 57.539 58.200 0.034 0.000 0.912 560 S CB -0.035 63.190 63.200 0.041 0.000 0.790 560 S HN 0.240 nan 8.310 nan 0.000 0.504 561 R N 2.495 123.019 120.500 0.041 0.000 2.585 561 R HA 0.143 4.482 4.340 -0.001 0.000 0.275 561 R C 0.031 176.346 176.300 0.025 0.000 1.018 561 R CA -0.382 55.739 56.100 0.034 0.000 1.072 561 R CB 0.104 30.431 30.300 0.045 0.000 0.953 561 R HN 0.438 nan 8.270 nan 0.000 0.419 562 K N 2.953 123.363 120.400 0.017 0.000 2.230 562 K HA 0.264 4.584 4.320 -0.001 0.000 0.253 562 K C -2.113 174.492 176.600 0.007 0.000 1.008 562 K CA -1.367 54.927 56.287 0.011 0.000 0.910 562 K CB -0.128 32.377 32.500 0.008 0.000 0.994 562 K HN 0.384 nan 8.250 nan 0.000 0.495 563 P HA 0.028 nan 4.420 nan 0.000 0.268 563 P C -0.952 176.346 177.300 -0.004 0.000 1.205 563 P CA -0.470 62.630 63.100 -0.001 0.000 0.771 563 P CB 0.715 32.414 31.700 -0.001 0.000 0.858 564 V N 3.189 123.097 119.914 -0.009 0.000 2.617 564 V HA 0.156 4.276 4.120 -0.001 0.000 0.298 564 V C 1.147 177.233 176.094 -0.012 0.000 1.048 564 V CA -0.818 61.474 62.300 -0.012 0.000 0.964 564 V CB 1.132 32.944 31.823 -0.019 0.000 1.004 564 V HN 0.712 nan 8.190 nan 0.000 0.466 565 N N 0.000 118.693 118.700 -0.011 0.000 1.763 565 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 565 N CA 0.000 53.044 53.050 -0.011 0.000 0.885 565 N CB 0.000 38.481 38.487 -0.010 0.000 1.341 565 N HN 0.000 nan 8.380 nan 0.000 0.667