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 1t6p_1_E DATA FIRST_RESID 27 DATA SEQUENCE STNLAVAGSH LPTTQVTQVD IVEKXLAAPT DSTLELDGYS LNLGDVVSAA DATA SEQUENCE RKGRPVRVKD SDEIRSKIDK SVEFLRSQXX XXXXXXXXXX XXXXXXXTED DATA SEQUENCE AISLQKALLE HQLCGVLPSS FDSFRLGRGL ENSLPLEVVR GAXTIRVNSL DATA SEQUENCE TRGHSAVRLV VLEALTNFLN HGITPIVPLR GTISXXXDLS PLSYIAAAIS DATA SEQUENCE GHPDSKVHVV HEGKEKILYA REAXALFNLE PVVLGPKEGL GLVNGTAVSA DATA SEQUENCE SXATLALHDA HXLSLLSQSL TAXTVEAXVG HAGSFHPFLH DVTRPHPTQI DATA SEQUENCE EVAGNIRKLL EGSRFAVHHX XXXXXXXXXX XXXQDRYPLR TSPQWLGPLV DATA SEQUENCE SDLIHAHAVL TIEAGQSTTD NPLIDVENKT SHHGGNFQAA AVANTXEKTR DATA SEQUENCE LGLAQIGKLN FTQLTEXLNA GXNRGLPSCL AAEDPSLSYH CKGLDIAAAA DATA SEQUENCE YTSELGHLAN PVTTHVQPAE XANQAVNSLA LISARRTTES NDVLSLLLAT DATA SEQUENCE HLYCVLQAID LRAIEFEFKK QFGPAIVSLI DQHFGSAXTG SNLRDELVEK DATA SEQUENCE VNKTLAKRLE QTNSYDLVPR WHDAFSFAAG TVVEVLSSTS LSLAAVNAWK DATA SEQUENCE VAAAESAISL TRQVRETFWS AASTSSPALS YLSPRTQILY AFVREELGVK DATA SEQUENCE ARRGDVFLGK QEVTIGSNVS KIYEAIKSGR INNVLLKXLA 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.622 174.600 0.036 0.000 1.055 27 S CA 0.000 58.227 58.200 0.045 0.000 1.107 27 S CB 0.000 63.238 63.200 0.063 0.000 0.593 28 T N 1.915 116.486 114.554 0.028 0.000 2.616 28 T HA 0.351 4.701 4.350 -0.000 0.000 0.327 28 T C 0.882 175.596 174.700 0.024 0.000 1.049 28 T CA 1.740 63.855 62.100 0.025 0.000 1.022 28 T CB 0.383 69.262 68.868 0.018 0.000 1.009 28 T HN 0.491 nan 8.240 nan 0.000 0.535 29 N N -0.754 117.960 118.700 0.023 0.000 2.461 29 N HA -0.084 4.656 4.740 -0.000 0.000 0.310 29 N C 1.075 176.595 175.510 0.017 0.000 1.651 29 N CA 0.879 53.940 53.050 0.018 0.000 3.277 29 N CB -1.248 37.251 38.487 0.019 0.000 1.525 29 N HN 0.671 nan 8.380 nan 0.000 1.133 30 L N -1.122 120.117 121.223 0.027 0.000 4.252 30 L HA -0.343 3.997 4.340 -0.000 0.000 0.370 30 L C 1.279 178.157 176.870 0.013 0.000 0.743 30 L CA 1.728 56.584 54.840 0.027 0.000 2.767 30 L CB -1.632 40.438 42.059 0.018 0.000 0.809 30 L HN 0.332 nan 8.230 nan 0.000 0.696 31 A N -1.283 121.534 122.820 -0.005 0.000 2.252 31 A HA 0.325 4.645 4.320 -0.000 0.000 0.207 31 A C 1.568 179.132 177.584 -0.033 0.000 1.194 31 A CA 1.446 53.460 52.037 -0.038 0.000 0.809 31 A CB 0.315 19.291 19.000 -0.038 0.000 0.814 31 A HN 0.389 nan 8.150 nan 0.000 0.482 32 V N -2.968 116.962 119.914 0.027 0.000 3.332 32 V HA 0.402 4.522 4.120 -0.000 0.000 0.263 32 V C 1.650 177.841 176.094 0.162 0.000 1.562 32 V CA 1.120 63.473 62.300 0.088 0.000 1.040 32 V CB 0.427 32.286 31.823 0.061 0.000 0.857 32 V HN 0.398 nan 8.190 nan 0.000 0.428 33 A N -0.129 122.762 122.820 0.118 0.000 2.308 33 A HA 0.664 4.984 4.320 -0.000 0.000 0.217 33 A C 1.448 179.122 177.584 0.151 0.000 1.216 33 A CA 0.990 53.097 52.037 0.116 0.000 0.864 33 A CB -0.602 18.439 19.000 0.069 0.000 0.902 33 A HN 1.585 nan 8.150 nan 0.000 0.499 34 G N -0.618 108.287 108.800 0.174 0.000 2.682 34 G HA2 0.042 4.002 3.960 -0.000 0.000 0.256 34 G HA3 0.042 4.002 3.960 -0.000 0.000 0.256 34 G C 0.013 174.961 174.900 0.081 0.000 1.333 34 G CA 0.223 45.403 45.100 0.133 0.000 0.904 34 G HN 1.778 nan 8.290 nan 0.000 0.569 35 S N -1.370 114.359 115.700 0.049 0.000 2.535 35 S HA 0.574 5.044 4.470 -0.000 0.000 0.272 35 S C -0.745 173.868 174.600 0.022 0.000 1.149 35 S CA -0.224 58.020 58.200 0.075 0.000 0.888 35 S CB 1.164 64.406 63.200 0.071 0.000 1.110 35 S HN 1.027 nan 8.310 nan 0.000 0.463 36 H N 2.435 121.482 119.070 -0.039 0.000 2.562 36 H HA 0.723 5.279 4.556 -0.000 0.000 0.352 36 H C -0.016 175.377 175.328 0.108 0.000 1.125 36 H CA 0.409 56.465 56.048 0.014 0.000 1.379 36 H CB 0.446 30.199 29.762 -0.015 0.000 1.464 36 H HN 0.700 nan 8.280 nan 0.000 0.563 37 L N 0.756 122.143 121.223 0.274 0.000 0.590 37 L HA -0.174 4.166 4.340 -0.000 0.000 0.356 37 L C -2.353 174.589 176.870 0.119 0.000 1.004 37 L CA -0.218 54.719 54.840 0.162 0.000 1.223 37 L CB -0.813 41.325 42.059 0.131 0.000 0.012 37 L HN 0.678 nan 8.230 nan 0.000 0.094 38 P HA 0.240 nan 4.420 nan 0.000 0.282 38 P C -0.710 176.629 177.300 0.065 0.000 1.274 38 P CA -0.135 63.012 63.100 0.079 0.000 0.770 38 P CB 0.916 32.670 31.700 0.090 0.000 0.867 39 T N -1.309 113.278 114.554 0.056 0.000 2.881 39 T HA 0.316 4.666 4.350 -0.000 0.000 0.290 39 T C 1.041 175.761 174.700 0.034 0.000 1.000 39 T CA -0.530 61.595 62.100 0.042 0.000 0.978 39 T CB 0.760 69.653 68.868 0.040 0.000 0.997 39 T HN 0.294 nan 8.240 nan 0.000 0.443 40 T N 0.186 114.757 114.554 0.028 0.000 3.163 40 T HA -0.033 4.317 4.350 -0.000 0.000 0.260 40 T C 0.977 175.686 174.700 0.015 0.000 1.156 40 T CA 0.331 62.445 62.100 0.022 0.000 1.072 40 T CB -0.504 68.376 68.868 0.021 0.000 0.937 40 T HN 0.841 nan 8.240 nan 0.000 0.528 41 Q N 0.669 120.478 119.800 0.015 0.000 2.237 41 Q HA 0.619 4.959 4.340 -0.000 0.000 0.252 41 Q C -0.438 175.564 176.000 0.003 0.000 0.877 41 Q CA -0.522 55.286 55.803 0.009 0.000 1.011 41 Q CB 0.278 29.022 28.738 0.010 0.000 1.118 41 Q HN 0.307 nan 8.270 nan 0.000 0.458 42 V N 0.490 120.403 119.914 -0.001 0.000 2.881 42 V HA 0.286 4.406 4.120 -0.000 0.000 0.275 42 V C -1.152 174.929 176.094 -0.021 0.000 1.518 42 V CA -0.116 62.176 62.300 -0.014 0.000 0.936 42 V CB 2.126 33.944 31.823 -0.009 0.000 1.165 42 V HN 0.529 nan 8.190 nan 0.000 0.447 43 T N 1.919 116.448 114.554 -0.041 0.000 2.940 43 T HA 0.436 4.786 4.350 -0.000 0.000 0.288 43 T C 0.698 175.345 174.700 -0.089 0.000 1.045 43 T CA 0.137 62.209 62.100 -0.047 0.000 1.018 43 T CB 2.008 70.852 68.868 -0.040 0.000 1.151 43 T HN 0.744 nan 8.240 nan 0.000 0.529 44 Q N -0.175 119.577 119.800 -0.079 0.000 2.124 44 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 44 Q C 2.093 177.993 176.000 -0.168 0.000 0.977 44 Q CA 1.619 57.347 55.803 -0.124 0.000 0.850 44 Q CB -0.388 28.326 28.738 -0.039 0.000 0.901 44 Q HN 0.672 nan 8.270 nan 0.000 0.429 45 V N 1.474 121.322 119.914 -0.111 0.000 2.295 45 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 45 V C 1.782 177.802 176.094 -0.123 0.000 1.049 45 V CA 2.077 64.312 62.300 -0.108 0.000 1.024 45 V CB -0.653 31.126 31.823 -0.073 0.000 0.648 45 V HN 0.399 nan 8.190 nan 0.000 0.447 46 D N 0.253 120.588 120.400 -0.110 0.000 2.104 46 D HA -0.169 4.471 4.640 -0.000 0.000 0.194 46 D C 2.094 178.307 176.300 -0.145 0.000 0.994 46 D CA 1.647 55.586 54.000 -0.102 0.000 0.830 46 D CB -0.262 40.491 40.800 -0.079 0.000 0.959 46 D HN 0.416 nan 8.370 nan 0.000 0.452 47 I N 0.653 121.089 120.570 -0.222 0.000 2.226 47 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 47 I C 2.484 178.387 176.117 -0.356 0.000 1.100 47 I CA 0.602 61.691 61.300 -0.351 0.000 1.374 47 I CB -0.161 37.475 38.000 -0.606 0.000 1.057 47 I HN -0.110 nan 8.210 nan 0.000 0.413 48 V N 0.647 120.357 119.914 -0.341 0.000 2.358 48 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 48 V C 2.482 178.482 176.094 -0.155 0.000 1.047 48 V CA 2.064 64.201 62.300 -0.272 0.000 1.035 48 V CB -0.615 31.071 31.823 -0.228 0.000 0.658 48 V HN 0.473 nan 8.190 nan 0.000 0.452 49 E N 0.154 120.279 120.200 -0.125 0.000 2.085 49 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 49 E C 1.362 177.928 176.600 -0.057 0.000 0.994 49 E CA 0.949 57.301 56.400 -0.079 0.000 0.801 49 E CB 0.111 29.770 29.700 -0.068 0.000 0.743 49 E HN 0.320 nan 8.360 nan 0.000 0.453 53 A N 0.839 123.665 122.820 0.011 0.000 2.251 53 A HA 0.587 4.907 4.320 -0.000 0.000 0.209 53 A C 1.208 178.802 177.584 0.016 0.000 1.187 53 A CA 0.643 52.685 52.037 0.009 0.000 0.823 53 A CB -0.165 18.836 19.000 0.001 0.000 0.846 53 A HN 0.261 nan 8.150 nan 0.000 0.486 54 A N 1.528 124.364 122.820 0.026 0.000 2.522 54 A HA 0.474 4.794 4.320 -0.000 0.000 0.256 54 A C -2.346 175.250 177.584 0.020 0.000 1.086 54 A CA -0.824 51.228 52.037 0.026 0.000 0.763 54 A CB -0.510 18.511 19.000 0.035 0.000 1.024 54 A HN 0.253 nan 8.150 nan 0.000 0.502 55 P HA 0.161 nan 4.420 nan 0.000 0.267 55 P C 0.797 178.104 177.300 0.011 0.000 1.205 55 P CA 0.261 63.368 63.100 0.012 0.000 0.765 55 P CB 0.803 32.510 31.700 0.011 0.000 0.828 56 T N -2.937 111.623 114.554 0.010 0.000 3.044 56 T HA 0.160 4.510 4.350 -0.000 0.000 0.260 56 T C 0.574 175.278 174.700 0.007 0.000 1.019 56 T CA 0.160 62.265 62.100 0.008 0.000 0.921 56 T CB -0.063 68.811 68.868 0.009 0.000 1.053 56 T HN 0.076 nan 8.240 nan 0.000 0.533 57 D N 1.790 122.194 120.400 0.007 0.000 2.514 57 D HA 0.166 4.806 4.640 -0.000 0.000 0.249 57 D C 1.425 177.728 176.300 0.005 0.000 1.036 57 D CA 0.491 54.495 54.000 0.006 0.000 0.911 57 D CB 0.345 41.149 40.800 0.007 0.000 1.145 57 D HN 0.536 nan 8.370 nan 0.000 0.495 58 S N -0.275 115.429 115.700 0.006 0.000 2.617 58 S HA 0.236 4.706 4.470 -0.000 0.000 0.255 58 S C 0.394 174.998 174.600 0.006 0.000 1.318 58 S CA -0.216 57.988 58.200 0.006 0.000 0.978 58 S CB 0.643 63.847 63.200 0.008 0.000 0.961 58 S HN -0.050 nan 8.310 nan 0.000 0.582 59 T N 1.780 116.338 114.554 0.007 0.000 2.758 59 T HA 0.413 4.763 4.350 -0.000 0.000 0.285 59 T C -0.419 174.287 174.700 0.009 0.000 0.981 59 T CA -0.495 61.609 62.100 0.007 0.000 0.965 59 T CB 0.720 69.592 68.868 0.007 0.000 0.927 59 T HN 0.561 nan 8.240 nan 0.000 0.448 60 L N 4.549 125.778 121.223 0.009 0.000 2.361 60 L HA 0.307 4.647 4.340 -0.000 0.000 0.278 60 L C 0.004 176.881 176.870 0.012 0.000 1.113 60 L CA 0.250 55.096 54.840 0.010 0.000 0.849 60 L CB 0.007 42.072 42.059 0.009 0.000 1.155 60 L HN 0.586 nan 8.230 nan 0.000 0.452 61 E N 5.936 126.145 120.200 0.014 0.000 2.092 61 E HA 0.287 4.637 4.350 -0.000 0.000 0.271 61 E C -1.100 175.510 176.600 0.017 0.000 0.919 61 E CA -0.936 55.473 56.400 0.015 0.000 0.760 61 E CB 1.197 30.906 29.700 0.016 0.000 1.106 61 E HN 0.364 nan 8.360 nan 0.000 0.408 62 L N 3.853 125.085 121.223 0.015 0.000 2.360 62 L HA 0.104 4.444 4.340 -0.000 0.000 0.276 62 L C 0.827 177.712 176.870 0.024 0.000 1.121 62 L CA 0.329 55.178 54.840 0.015 0.000 0.845 62 L CB 0.160 42.222 42.059 0.005 0.000 1.143 62 L HN 0.624 nan 8.230 nan 0.000 0.452 63 D N -0.343 120.083 120.400 0.042 0.000 2.500 63 D HA 0.217 4.857 4.640 -0.000 0.000 0.217 63 D C 1.143 177.523 176.300 0.134 0.000 1.159 63 D CA 0.479 54.523 54.000 0.072 0.000 0.828 63 D CB 0.602 41.446 40.800 0.074 0.000 1.039 63 D HN 0.653 nan 8.370 nan 0.000 0.512 64 G N -0.245 108.592 108.800 0.062 0.000 2.176 64 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.253 64 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.253 64 G C 0.360 175.108 174.900 -0.253 0.000 0.979 64 G CA 0.592 45.660 45.100 -0.054 0.000 0.641 64 G HN 0.373 nan 8.290 nan 0.000 0.530 65 Y N -0.323 119.963 120.300 -0.024 0.000 2.491 65 Y HA 0.270 4.820 4.550 -0.000 0.000 0.276 65 Y C 2.202 178.095 175.900 -0.011 0.000 1.041 65 Y CA 0.707 58.797 58.100 -0.017 0.000 1.191 65 Y CB 0.249 38.699 38.460 -0.017 0.000 1.365 65 Y HN 0.488 nan 8.280 nan 0.000 0.566 66 S N -0.515 115.260 115.700 0.125 0.000 2.539 66 S HA 0.190 4.660 4.470 -0.000 0.000 0.221 66 S C 0.276 174.899 174.600 0.038 0.000 0.987 66 S CA -0.257 57.988 58.200 0.074 0.000 0.929 66 S CB -0.088 63.150 63.200 0.064 0.000 0.832 66 S HN 0.153 nan 8.310 nan 0.000 0.492 67 L N 4.430 125.665 121.223 0.020 0.000 2.499 67 L HA 0.333 4.673 4.340 -0.000 0.000 0.273 67 L C -0.310 176.560 176.870 -0.000 0.000 1.195 67 L CA 0.263 55.105 54.840 0.004 0.000 0.882 67 L CB -0.029 42.022 42.059 -0.013 0.000 1.133 67 L HN 0.527 nan 8.230 nan 0.000 0.483 68 N N 3.000 121.704 118.700 0.007 0.000 2.453 68 N HA 0.368 5.108 4.740 -0.000 0.000 0.290 68 N C 0.377 175.890 175.510 0.006 0.000 1.250 68 N CA -0.901 52.153 53.050 0.007 0.000 0.815 68 N CB 0.422 38.929 38.487 0.033 0.000 1.381 68 N HN 0.288 nan 8.380 nan 0.000 0.510 69 L N 0.183 121.401 121.223 -0.007 0.000 2.043 69 L HA 0.010 4.350 4.340 -0.000 0.000 0.212 69 L C 2.364 179.278 176.870 0.072 0.000 1.075 69 L CA 2.297 57.143 54.840 0.010 0.000 0.752 69 L CB -1.527 40.508 42.059 -0.040 0.000 0.891 69 L HN 0.968 nan 8.230 nan 0.000 0.432 70 G N -1.248 107.613 108.800 0.102 0.000 2.422 70 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 70 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 70 G C 1.303 176.236 174.900 0.055 0.000 1.146 70 G CA 0.801 45.964 45.100 0.104 0.000 0.769 70 G HN 0.348 nan 8.290 nan 0.000 0.547 71 D N 0.025 120.447 120.400 0.037 0.000 2.084 71 D HA -0.127 4.513 4.640 -0.000 0.000 0.194 71 D C 2.722 179.026 176.300 0.006 0.000 0.990 71 D CA 1.351 55.362 54.000 0.019 0.000 0.826 71 D CB -0.779 40.030 40.800 0.015 0.000 0.971 71 D HN 0.177 nan 8.370 nan 0.000 0.453 72 V N 0.626 120.541 119.914 0.001 0.000 2.490 72 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 72 V C 2.139 178.218 176.094 -0.026 0.000 1.061 72 V CA 1.392 63.685 62.300 -0.012 0.000 1.064 72 V CB -0.282 31.532 31.823 -0.015 0.000 0.670 72 V HN 0.022 nan 8.190 nan 0.000 0.461 73 V N 0.491 120.387 119.914 -0.032 0.000 2.427 73 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 73 V C 2.750 178.801 176.094 -0.072 0.000 1.051 73 V CA 2.228 64.474 62.300 -0.091 0.000 1.048 73 V CB -0.758 30.970 31.823 -0.159 0.000 0.666 73 V HN 0.642 nan 8.190 nan 0.000 0.456 74 S N 0.552 116.234 115.700 -0.031 0.000 2.368 74 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 74 S C 2.203 176.793 174.600 -0.017 0.000 1.030 74 S CA 1.529 59.719 58.200 -0.017 0.000 0.999 74 S CB -0.445 62.756 63.200 0.001 0.000 0.844 74 S HN 0.660 nan 8.310 nan 0.000 0.459 75 A N 1.285 124.096 122.820 -0.015 0.000 1.897 75 A HA 0.305 4.625 4.320 -0.000 0.000 0.215 75 A C 2.316 179.891 177.584 -0.014 0.000 1.181 75 A CA 1.424 53.455 52.037 -0.009 0.000 0.620 75 A CB -0.931 18.066 19.000 -0.005 0.000 0.821 75 A HN 0.493 nan 8.150 nan 0.000 0.443 76 A N -0.436 122.368 122.820 -0.027 0.000 1.897 76 A HA -0.049 4.271 4.320 -0.000 0.000 0.215 76 A C 2.281 179.842 177.584 -0.038 0.000 1.181 76 A CA 1.480 53.497 52.037 -0.032 0.000 0.620 76 A CB -0.272 18.701 19.000 -0.044 0.000 0.821 76 A HN 0.501 nan 8.150 nan 0.000 0.443 77 R N -1.366 119.102 120.500 -0.052 0.000 2.167 77 R HA 0.145 4.484 4.340 -0.000 0.000 0.201 77 R C 0.522 176.804 176.300 -0.030 0.000 1.024 77 R CA 0.482 56.551 56.100 -0.051 0.000 1.053 77 R CB 0.156 30.407 30.300 -0.083 0.000 0.987 77 R HN 0.078 nan 8.270 nan 0.000 0.493 78 K N 0.514 120.899 120.400 -0.025 0.000 2.675 78 K HA 0.173 4.493 4.320 -0.000 0.000 0.213 78 K C 0.309 176.908 176.600 -0.003 0.000 1.074 78 K CA 0.186 56.467 56.287 -0.010 0.000 1.172 78 K CB 1.014 33.509 32.500 -0.008 0.000 0.927 78 K HN 0.369 nan 8.250 nan 0.000 0.471 79 G N 2.408 111.206 108.800 -0.002 0.000 2.320 79 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.291 79 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.291 79 G C 0.352 175.251 174.900 -0.000 0.000 0.994 79 G CA 0.708 45.809 45.100 0.002 0.000 0.760 79 G HN 0.472 nan 8.290 nan 0.000 0.514 80 R N 0.522 121.022 120.500 -0.001 0.000 2.538 80 R HA 0.246 4.586 4.340 -0.000 0.000 0.282 80 R C -2.065 174.235 176.300 -0.000 0.000 1.009 80 R CA -0.991 55.109 56.100 0.000 0.000 1.063 80 R CB 0.325 30.626 30.300 0.002 0.000 0.945 80 R HN 0.080 nan 8.270 nan 0.000 0.414 81 P HA -0.007 nan 4.420 nan 0.000 0.271 81 P C -1.184 176.119 177.300 0.004 0.000 1.216 81 P CA -0.217 62.881 63.100 -0.004 0.000 0.776 81 P CB 1.013 32.707 31.700 -0.009 0.000 0.881 82 V N 0.642 120.561 119.914 0.009 0.000 2.962 82 V HA 0.973 5.093 4.120 -0.000 0.000 0.313 82 V C -0.854 175.252 176.094 0.020 0.000 1.099 82 V CA -1.069 61.240 62.300 0.014 0.000 0.971 82 V CB 2.459 34.291 31.823 0.015 0.000 1.028 82 V HN 0.653 nan 8.190 nan 0.000 0.430 83 R N 1.608 122.120 120.500 0.019 0.000 2.709 83 R HA 0.701 5.041 4.340 -0.000 0.000 0.270 83 R C -1.204 175.108 176.300 0.019 0.000 1.038 83 R CA -0.335 55.779 56.100 0.023 0.000 0.872 83 R CB 1.069 31.384 30.300 0.025 0.000 1.259 83 R HN 1.386 nan 8.270 nan 0.000 0.473 84 V N 1.560 121.485 119.914 0.020 0.000 2.555 84 V HA 0.257 4.377 4.120 -0.000 0.000 0.286 84 V C 0.089 176.194 176.094 0.017 0.000 1.044 84 V CA -0.404 61.906 62.300 0.016 0.000 1.026 84 V CB 0.851 32.682 31.823 0.014 0.000 0.981 84 V HN 0.779 nan 8.190 nan 0.000 0.480 85 K N 5.492 125.902 120.400 0.017 0.000 2.366 85 K HA -0.082 4.238 4.320 -0.000 0.000 0.272 85 K C 0.267 176.876 176.600 0.015 0.000 1.151 85 K CA 0.130 56.427 56.287 0.017 0.000 1.173 85 K CB -0.121 32.391 32.500 0.019 0.000 0.853 85 K HN 0.877 nan 8.250 nan 0.000 0.473 86 D N 3.471 123.880 120.400 0.014 0.000 2.376 86 D HA -0.071 4.569 4.640 -0.000 0.000 0.278 86 D C 0.197 176.503 176.300 0.011 0.000 1.384 86 D CA 0.544 54.552 54.000 0.014 0.000 1.033 86 D CB 0.247 41.055 40.800 0.014 0.000 1.102 86 D HN 0.633 nan 8.370 nan 0.000 0.530 87 S N 2.082 117.788 115.700 0.010 0.000 2.820 87 S HA 0.064 4.534 4.470 -0.000 0.000 0.265 87 S C 0.736 175.338 174.600 0.004 0.000 1.043 87 S CA 0.243 58.446 58.200 0.006 0.000 1.245 87 S CB 0.558 63.761 63.200 0.004 0.000 1.187 87 S HN 0.494 nan 8.310 nan 0.000 0.673 88 D N 1.555 121.959 120.400 0.007 0.000 4.137 88 D HA -0.314 4.326 4.640 -0.000 0.000 0.214 88 D C 1.176 177.479 176.300 0.004 0.000 1.236 88 D CA 2.028 56.031 54.000 0.006 0.000 2.360 88 D CB -1.503 39.300 40.800 0.005 0.000 1.205 88 D HN 0.599 nan 8.370 nan 0.000 0.406 89 E N 0.856 121.056 120.200 -0.001 0.000 2.070 89 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 89 E C 2.365 178.963 176.600 -0.002 0.000 1.004 89 E CA 1.563 57.960 56.400 -0.005 0.000 0.805 89 E CB -0.055 29.636 29.700 -0.015 0.000 0.744 89 E HN 0.390 nan 8.360 nan 0.000 0.451 90 I N 0.832 121.403 120.570 0.001 0.000 2.202 90 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 90 I C 2.576 178.697 176.117 0.007 0.000 1.091 90 I CA 1.229 62.533 61.300 0.006 0.000 1.368 90 I CB -1.137 36.870 38.000 0.011 0.000 1.058 90 I HN 0.119 nan 8.210 nan 0.000 0.410 91 R N 0.477 120.982 120.500 0.009 0.000 2.091 91 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 91 R C 2.591 178.899 176.300 0.013 0.000 1.136 91 R CA 1.709 57.816 56.100 0.012 0.000 0.959 91 R CB -0.510 29.798 30.300 0.013 0.000 0.856 91 R HN 0.327 nan 8.270 nan 0.000 0.437 92 S N 1.427 117.134 115.700 0.011 0.000 2.351 92 S HA -0.225 4.244 4.470 -0.000 0.000 0.220 92 S C 1.827 176.437 174.600 0.017 0.000 1.035 92 S CA 1.928 60.136 58.200 0.014 0.000 1.031 92 S CB -0.142 63.063 63.200 0.010 0.000 0.928 92 S HN 0.443 nan 8.310 nan 0.000 0.433 93 K N 0.467 120.873 120.400 0.011 0.000 2.280 93 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 93 K C 2.115 178.725 176.600 0.016 0.000 1.047 93 K CA 1.465 57.759 56.287 0.012 0.000 0.942 93 K CB -0.484 32.017 32.500 0.001 0.000 0.739 93 K HN 0.448 nan 8.250 nan 0.000 0.457 94 I N 2.168 122.747 120.570 0.014 0.000 2.110 94 I HA -0.241 3.929 4.170 -0.000 0.000 0.236 94 I C 2.018 178.155 176.117 0.034 0.000 1.068 94 I CA 1.417 62.728 61.300 0.019 0.000 1.333 94 I CB -0.361 37.648 38.000 0.015 0.000 1.054 94 I HN 0.195 nan 8.210 nan 0.000 0.402 95 D N 1.173 121.592 120.400 0.033 0.000 2.116 95 D HA -0.210 4.430 4.640 -0.000 0.000 0.193 95 D C 2.116 178.450 176.300 0.057 0.000 0.998 95 D CA 1.449 55.473 54.000 0.041 0.000 0.836 95 D CB -0.203 40.617 40.800 0.033 0.000 0.951 95 D HN 0.293 nan 8.370 nan 0.000 0.449 96 K N 0.331 120.763 120.400 0.055 0.000 2.211 96 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 96 K C 2.256 178.921 176.600 0.108 0.000 1.047 96 K CA 0.773 57.104 56.287 0.073 0.000 0.935 96 K CB 0.051 32.581 32.500 0.051 0.000 0.728 96 K HN -0.046 nan 8.250 nan 0.000 0.452 97 S N 0.202 115.956 115.700 0.090 0.000 2.388 97 S HA -0.044 4.426 4.470 -0.000 0.000 0.223 97 S C 2.011 176.704 174.600 0.156 0.000 1.034 97 S CA 0.634 58.904 58.200 0.116 0.000 0.963 97 S CB 0.102 63.349 63.200 0.079 0.000 0.827 97 S HN 0.024 nan 8.310 nan 0.000 0.481 98 V N 2.198 122.175 119.914 0.106 0.000 2.427 98 V HA -0.082 4.038 4.120 -0.000 0.000 0.248 98 V C 2.328 178.478 176.094 0.093 0.000 1.051 98 V CA 1.364 63.718 62.300 0.089 0.000 1.048 98 V CB -0.480 31.377 31.823 0.058 0.000 0.666 98 V HN 0.370 nan 8.190 nan 0.000 0.456 99 E N -0.651 119.610 120.200 0.101 0.000 2.347 99 E HA -0.110 4.240 4.350 -0.000 0.000 0.196 99 E C 1.863 178.529 176.600 0.110 0.000 1.008 99 E CA 0.764 57.216 56.400 0.085 0.000 0.852 99 E CB -0.122 29.625 29.700 0.078 0.000 0.783 99 E HN 0.680 nan 8.360 nan 0.000 0.505 100 F N 0.617 120.578 119.950 0.019 0.000 2.293 100 F HA -0.082 4.445 4.527 -0.000 0.000 0.297 100 F C 1.827 177.636 175.800 0.015 0.000 1.089 100 F CA 0.609 58.619 58.000 0.017 0.000 1.377 100 F CB 0.169 39.182 39.000 0.022 0.000 1.051 100 F HN -0.064 nan 8.300 nan 0.000 0.511 101 L N 0.375 121.644 121.223 0.076 0.000 2.095 101 L HA -0.069 4.271 4.340 -0.000 0.000 0.204 101 L C 2.532 179.363 176.870 -0.065 0.000 1.080 101 L CA 1.296 56.130 54.840 -0.009 0.000 0.759 101 L CB -1.253 40.858 42.059 0.086 0.000 0.914 101 L HN 0.184 nan 8.230 nan 0.000 0.439 102 R N 0.489 120.972 120.500 -0.028 0.000 2.112 102 R HA -0.227 4.113 4.340 -0.000 0.000 0.242 102 R C 2.385 178.642 176.300 -0.072 0.000 1.137 102 R CA 2.460 58.540 56.100 -0.032 0.000 0.944 102 R CB -0.102 30.191 30.300 -0.011 0.000 0.857 102 R HN 0.476 nan 8.270 nan 0.000 0.435 103 S N -0.154 115.477 115.700 -0.115 0.000 2.447 103 S HA -0.090 4.379 4.470 -0.000 0.000 0.233 103 S C 0.327 174.810 174.600 -0.194 0.000 1.006 103 S CA 0.596 58.709 58.200 -0.145 0.000 0.957 103 S CB -0.153 62.948 63.200 -0.165 0.000 0.773 103 S HN 0.542 nan 8.310 nan 0.000 0.507 125 E N 1.966 122.164 120.200 -0.002 0.000 2.031 125 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 125 E C 1.253 177.853 176.600 -0.001 0.000 0.994 125 E CA 1.528 57.927 56.400 -0.002 0.000 0.800 125 E CB -0.113 29.585 29.700 -0.003 0.000 0.752 125 E HN 0.343 nan 8.360 nan 0.000 0.447 126 D N 0.849 121.249 120.400 -0.001 0.000 2.190 126 D HA -0.167 4.473 4.640 -0.000 0.000 0.200 126 D C 1.851 178.153 176.300 0.004 0.000 0.992 126 D CA 1.267 55.267 54.000 0.001 0.000 0.854 126 D CB -0.392 40.408 40.800 0.000 0.000 0.936 126 D HN 0.204 nan 8.370 nan 0.000 0.462 127 A N 0.730 123.552 122.820 0.003 0.000 1.986 127 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 127 A C 1.979 179.567 177.584 0.008 0.000 1.171 127 A CA 1.055 53.096 52.037 0.006 0.000 0.640 127 A CB -0.426 18.577 19.000 0.005 0.000 0.811 127 A HN 0.184 nan 8.150 nan 0.000 0.451 128 I N -0.589 119.984 120.570 0.005 0.000 3.030 128 I HA -0.022 4.148 4.170 -0.000 0.000 0.270 128 I C 2.195 178.315 176.117 0.005 0.000 1.211 128 I CA 0.983 62.285 61.300 0.004 0.000 1.479 128 I CB -1.285 36.715 38.000 0.001 0.000 1.105 128 I HN 0.180 nan 8.210 nan 0.000 0.447 129 S N 1.448 117.152 115.700 0.006 0.000 2.345 129 S HA -0.104 4.366 4.470 -0.000 0.000 0.219 129 S C 2.005 176.614 174.600 0.015 0.000 1.031 129 S CA 0.797 59.002 58.200 0.008 0.000 0.984 129 S CB -0.460 62.743 63.200 0.006 0.000 0.874 129 S HN 0.363 nan 8.310 nan 0.000 0.451 130 L N 1.973 123.205 121.223 0.015 0.000 2.189 130 L HA -0.158 4.182 4.340 -0.000 0.000 0.214 130 L C 2.129 179.016 176.870 0.029 0.000 1.097 130 L CA 1.599 56.453 54.840 0.023 0.000 0.764 130 L CB -0.415 41.655 42.059 0.019 0.000 0.900 130 L HN 0.204 nan 8.230 nan 0.000 0.436 131 Q N -0.184 119.628 119.800 0.020 0.000 2.096 131 Q HA -0.104 4.236 4.340 -0.000 0.000 0.197 131 Q C 1.949 177.957 176.000 0.014 0.000 0.964 131 Q CA 1.283 57.095 55.803 0.015 0.000 0.838 131 Q CB -0.141 28.602 28.738 0.009 0.000 0.906 131 Q HN 0.575 nan 8.270 nan 0.000 0.444 132 K N 0.225 120.635 120.400 0.016 0.000 2.487 132 K HA 0.180 4.500 4.320 -0.000 0.000 0.192 132 K C 1.471 178.092 176.600 0.034 0.000 1.027 132 K CA 0.430 56.729 56.287 0.019 0.000 1.054 132 K CB 0.379 32.885 32.500 0.009 0.000 0.824 132 K HN 0.048 nan 8.250 nan 0.000 0.510 133 A N 0.600 123.449 122.820 0.048 0.000 2.063 133 A HA 0.025 4.345 4.320 -0.000 0.000 0.211 133 A C 1.850 179.538 177.584 0.174 0.000 1.177 133 A CA 0.165 52.252 52.037 0.084 0.000 0.759 133 A CB -0.006 19.031 19.000 0.062 0.000 0.857 133 A HN 0.212 nan 8.150 nan 0.000 0.468 134 L N -0.759 120.534 121.223 0.116 0.000 2.068 134 L HA 0.086 4.426 4.340 -0.000 0.000 0.204 134 L C 1.942 178.690 176.870 -0.203 0.000 1.076 134 L CA 1.633 56.521 54.840 0.080 0.000 0.753 134 L CB -0.502 41.581 42.059 0.039 0.000 0.910 134 L HN 0.214 nan 8.230 nan 0.000 0.439 135 L N 0.082 121.232 121.223 -0.121 0.000 2.141 135 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 135 L C 2.580 179.340 176.870 -0.184 0.000 1.094 135 L CA 1.607 56.341 54.840 -0.178 0.000 0.763 135 L CB -0.921 41.081 42.059 -0.095 0.000 0.908 135 L HN 0.485 nan 8.230 nan 0.000 0.437 136 E N -0.230 119.931 120.200 -0.066 0.000 2.085 136 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 136 E C 1.961 178.553 176.600 -0.012 0.000 0.994 136 E CA 1.851 58.246 56.400 -0.008 0.000 0.801 136 E CB -0.001 29.735 29.700 0.060 0.000 0.743 136 E HN 0.817 nan 8.360 nan 0.000 0.453 137 H N -1.641 117.407 119.070 -0.036 0.000 2.563 137 H HA 0.185 4.741 4.556 -0.000 0.000 0.264 137 H C 1.722 177.029 175.328 -0.036 0.000 0.957 137 H CA 0.280 56.310 56.048 -0.030 0.000 1.173 137 H CB 0.210 29.960 29.762 -0.021 0.000 1.420 137 H HN 0.011 nan 8.280 nan 0.000 0.551 138 Q N 0.317 119.810 119.800 -0.511 0.000 2.354 138 Q HA 0.102 4.442 4.340 -0.000 0.000 0.203 138 Q C 0.438 176.324 176.000 -0.191 0.000 0.933 138 Q CA 0.124 55.724 55.803 -0.340 0.000 0.901 138 Q CB 0.352 28.852 28.738 -0.397 0.000 1.007 138 Q HN 0.381 nan 8.270 nan 0.000 0.495 139 L N 1.889 122.935 121.223 -0.295 0.000 2.650 139 L HA 0.012 4.352 4.340 -0.000 0.000 0.239 139 L C 0.763 177.583 176.870 -0.082 0.000 1.412 139 L CA 0.241 54.819 54.840 -0.436 0.000 1.219 139 L CB -1.106 40.608 42.059 -0.574 0.000 1.534 139 L HN 0.244 nan 8.230 nan 0.000 0.430 140 C N -2.870 116.474 119.300 0.073 0.000 2.994 140 C HA 0.692 5.152 4.460 -0.000 0.000 0.284 140 C C 1.102 176.162 174.990 0.116 0.000 1.404 140 C CA -0.641 58.431 59.018 0.090 0.000 1.775 140 C CB -0.680 27.095 27.740 0.058 0.000 2.458 140 C HN 0.501 nan 8.230 nan 0.000 0.593 141 G N 0.801 109.713 108.800 0.186 0.000 2.528 141 G HA2 0.543 4.503 3.960 -0.000 0.000 0.289 141 G HA3 0.543 4.503 3.960 -0.000 0.000 0.289 141 G C -0.702 174.205 174.900 0.012 0.000 1.192 141 G CA -0.209 44.917 45.100 0.044 0.000 0.921 141 G HN 0.305 nan 8.290 nan 0.000 0.512 142 V N 0.699 120.592 119.914 -0.035 0.000 2.439 142 V HA 0.554 4.674 4.120 -0.000 0.000 0.282 142 V C -0.283 175.773 176.094 -0.065 0.000 1.039 142 V CA -0.440 61.840 62.300 -0.033 0.000 0.913 142 V CB 1.045 32.851 31.823 -0.028 0.000 0.983 142 V HN 0.460 nan 8.190 nan 0.000 0.460 143 L N 5.582 126.777 121.223 -0.048 0.000 2.469 143 L HA 0.686 5.026 4.340 -0.000 0.000 0.256 143 L C -2.444 174.408 176.870 -0.031 0.000 1.006 143 L CA -1.774 53.032 54.840 -0.058 0.000 0.832 143 L CB 1.994 44.009 42.059 -0.072 0.000 1.421 143 L HN 0.429 nan 8.230 nan 0.000 0.410 144 P HA 0.190 nan 4.420 nan 0.000 0.266 144 P C 0.110 177.401 177.300 -0.015 0.000 1.193 144 P CA 0.162 63.273 63.100 0.018 0.000 0.770 144 P CB 0.562 32.342 31.700 0.134 0.000 0.836 145 S N -0.628 115.067 115.700 -0.007 0.000 2.425 145 S HA 0.060 4.530 4.470 -0.000 0.000 0.225 145 S C 0.909 175.467 174.600 -0.069 0.000 1.024 145 S CA 0.807 58.993 58.200 -0.023 0.000 0.951 145 S CB -0.004 63.199 63.200 0.005 0.000 0.796 145 S HN 0.638 nan 8.310 nan 0.000 0.498 146 S N -1.446 114.202 115.700 -0.087 0.000 2.873 146 S HA 0.522 4.992 4.470 -0.000 0.000 0.303 146 S C -1.163 173.257 174.600 -0.301 0.000 1.222 146 S CA -0.541 57.536 58.200 -0.205 0.000 0.923 146 S CB -0.409 62.783 63.200 -0.014 0.000 1.286 146 S HN 0.096 nan 8.310 nan 0.000 0.571 147 F N 1.404 121.295 119.950 -0.098 0.000 2.695 147 F HA 0.337 4.864 4.527 -0.000 0.000 0.303 147 F C 1.754 177.578 175.800 0.040 0.000 1.091 147 F CA -0.163 57.675 58.000 -0.270 0.000 1.300 147 F CB 0.132 38.911 39.000 -0.368 0.000 1.071 147 F HN 0.507 nan 8.300 nan 0.000 0.578 148 D N 0.214 120.746 120.400 0.220 0.000 2.310 148 D HA -0.120 4.520 4.640 -0.000 0.000 0.212 148 D C 1.874 178.289 176.300 0.191 0.000 0.965 148 D CA 1.375 55.480 54.000 0.176 0.000 0.879 148 D CB 0.105 40.975 40.800 0.118 0.000 0.921 148 D HN 0.216 nan 8.370 nan 0.000 0.510 149 S N -1.361 114.497 115.700 0.264 0.000 2.540 149 S HA 0.159 4.629 4.470 -0.000 0.000 0.218 149 S C 0.336 175.074 174.600 0.231 0.000 0.977 149 S CA -0.699 57.620 58.200 0.198 0.000 0.918 149 S CB -0.422 62.851 63.200 0.122 0.000 0.806 149 S HN -0.038 nan 8.310 nan 0.000 0.496 150 F N 4.131 124.128 119.950 0.078 0.000 2.439 150 F HA 0.455 4.982 4.527 -0.000 0.000 0.356 150 F C 1.081 176.923 175.800 0.070 0.000 1.161 150 F CA -0.895 57.158 58.000 0.089 0.000 1.151 150 F CB 0.251 39.346 39.000 0.158 0.000 1.222 150 F HN -0.057 nan 8.300 nan 0.000 0.558 151 R N 1.988 122.558 120.500 0.117 0.000 2.549 151 R HA 0.348 4.688 4.340 -0.000 0.000 0.267 151 R C -0.616 175.729 176.300 0.076 0.000 1.045 151 R CA -1.371 54.779 56.100 0.083 0.000 1.115 151 R CB 1.122 31.441 30.300 0.033 0.000 1.121 151 R HN 0.427 nan 8.270 nan 0.000 0.543 152 L N 1.398 122.660 121.223 0.066 0.000 2.584 152 L HA 0.106 4.446 4.340 -0.000 0.000 0.272 152 L C 1.179 178.070 176.870 0.036 0.000 1.195 152 L CA 1.791 56.667 54.840 0.059 0.000 0.920 152 L CB -0.056 42.030 42.059 0.046 0.000 1.173 152 L HN 0.966 nan 8.230 nan 0.000 0.489 153 G N 3.370 112.193 108.800 0.038 0.000 2.184 153 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.264 153 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.264 153 G C 0.503 175.393 174.900 -0.018 0.000 0.975 153 G CA 0.425 45.535 45.100 0.017 0.000 0.642 153 G HN 0.657 nan 8.290 nan 0.000 0.536 154 R N -1.193 119.281 120.500 -0.044 0.000 2.888 154 R HA 0.783 5.123 4.340 -0.000 0.000 0.264 154 R C 0.871 177.013 176.300 -0.264 0.000 1.045 154 R CA 0.107 56.138 56.100 -0.115 0.000 0.962 154 R CB 1.303 31.548 30.300 -0.091 0.000 1.210 154 R HN 1.044 nan 8.270 nan 0.000 0.479 155 G N -0.322 108.230 108.800 -0.414 0.000 4.220 155 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.197 155 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.197 155 G C 0.035 174.459 174.900 -0.793 0.000 1.518 155 G CA -0.484 44.043 45.100 -0.956 0.000 0.955 155 G HN 0.328 nan 8.290 nan 0.000 0.353 156 L N 1.869 122.820 121.223 -0.454 0.000 2.912 156 L HA 0.382 4.722 4.340 -0.000 0.000 0.240 156 L C 1.644 178.427 176.870 -0.145 0.000 1.262 156 L CA -0.091 54.614 54.840 -0.224 0.000 1.058 156 L CB 0.677 42.684 42.059 -0.086 0.000 1.383 156 L HN 0.217 nan 8.230 nan 0.000 0.512 157 E N 0.175 120.284 120.200 -0.152 0.000 2.160 157 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 157 E C 1.077 177.623 176.600 -0.090 0.000 0.991 157 E CA 0.978 57.315 56.400 -0.104 0.000 0.810 157 E CB -0.050 29.592 29.700 -0.096 0.000 0.742 157 E HN 0.341 nan 8.360 nan 0.000 0.466 158 N N 0.283 118.925 118.700 -0.096 0.000 2.362 158 N HA 0.033 4.773 4.740 -0.000 0.000 0.211 158 N C -0.578 174.872 175.510 -0.100 0.000 1.170 158 N CA 0.156 53.154 53.050 -0.088 0.000 0.828 158 N CB 0.572 39.011 38.487 -0.080 0.000 1.034 158 N HN -0.038 nan 8.380 nan 0.000 0.475 159 S N 0.176 115.818 115.700 -0.096 0.000 2.568 159 S HA 0.472 4.942 4.470 -0.000 0.000 0.302 159 S C -0.574 173.971 174.600 -0.092 0.000 1.082 159 S CA -0.708 57.432 58.200 -0.100 0.000 1.009 159 S CB 1.142 64.297 63.200 -0.075 0.000 1.069 159 S HN 0.060 nan 8.310 nan 0.000 0.500 160 L N 5.102 126.265 121.223 -0.099 0.000 2.380 160 L HA 0.477 4.817 4.340 -0.000 0.000 0.273 160 L C -1.944 174.882 176.870 -0.072 0.000 1.138 160 L CA -1.455 53.335 54.840 -0.082 0.000 0.832 160 L CB 0.463 42.470 42.059 -0.086 0.000 1.124 160 L HN 0.531 nan 8.230 nan 0.000 0.454 161 P HA -0.001 nan 4.420 nan 0.000 0.265 161 P C 1.023 178.282 177.300 -0.070 0.000 1.193 161 P CA -0.031 63.030 63.100 -0.065 0.000 0.765 161 P CB 0.638 32.306 31.700 -0.053 0.000 0.823 162 L N 2.494 123.661 121.223 -0.093 0.000 2.051 162 L HA -0.263 4.077 4.340 -0.000 0.000 0.214 162 L C 2.558 179.392 176.870 -0.059 0.000 1.076 162 L CA 2.236 57.019 54.840 -0.095 0.000 0.758 162 L CB -1.050 40.909 42.059 -0.167 0.000 0.890 162 L HN 0.493 nan 8.230 nan 0.000 0.433 163 E N -0.099 120.067 120.200 -0.057 0.000 2.153 163 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 163 E C 2.112 178.689 176.600 -0.039 0.000 0.988 163 E CA 1.318 57.691 56.400 -0.045 0.000 0.811 163 E CB -0.465 29.204 29.700 -0.052 0.000 0.746 163 E HN 0.278 nan 8.360 nan 0.000 0.466 164 V N 1.489 121.379 119.914 -0.041 0.000 2.343 164 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 164 V C 2.451 178.529 176.094 -0.027 0.000 1.051 164 V CA 1.574 63.853 62.300 -0.034 0.000 1.036 164 V CB -0.158 31.644 31.823 -0.036 0.000 0.654 164 V HN 0.240 nan 8.190 nan 0.000 0.451 165 V N -0.246 119.653 119.914 -0.025 0.000 2.427 165 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 165 V C 2.506 178.601 176.094 0.001 0.000 1.051 165 V CA 1.896 64.190 62.300 -0.011 0.000 1.048 165 V CB -0.848 30.972 31.823 -0.005 0.000 0.666 165 V HN 0.458 nan 8.190 nan 0.000 0.456 166 R N 0.262 120.761 120.500 -0.001 0.000 2.092 166 R HA -0.059 4.281 4.340 -0.000 0.000 0.231 166 R C 2.483 178.782 176.300 -0.001 0.000 1.119 166 R CA 1.346 57.451 56.100 0.008 0.000 0.970 166 R CB -0.687 29.615 30.300 0.004 0.000 0.864 166 R HN 0.590 nan 8.270 nan 0.000 0.440 167 G N 0.989 109.781 108.800 -0.013 0.000 2.402 167 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.216 167 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.216 167 G C 0.684 175.575 174.900 -0.014 0.000 1.162 167 G CA 0.583 45.673 45.100 -0.017 0.000 0.777 167 G HN 0.424 nan 8.290 nan 0.000 0.539 171 I N 1.423 121.983 120.570 -0.018 0.000 2.361 171 I HA -0.118 4.052 4.170 -0.000 0.000 0.251 171 I C 2.792 178.893 176.117 -0.026 0.000 1.133 171 I CA 1.139 62.424 61.300 -0.025 0.000 1.413 171 I CB -0.230 37.756 38.000 -0.024 0.000 1.073 171 I HN 0.121 nan 8.210 nan 0.000 0.424 172 R N 0.722 121.210 120.500 -0.020 0.000 2.066 172 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 172 R C 2.322 178.608 176.300 -0.024 0.000 1.131 172 R CA 1.278 57.366 56.100 -0.020 0.000 0.955 172 R CB -0.437 29.852 30.300 -0.019 0.000 0.851 172 R HN 0.206 nan 8.270 nan 0.000 0.432 173 V N 1.698 121.599 119.914 -0.022 0.000 2.295 173 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 173 V C 2.169 178.248 176.094 -0.026 0.000 1.049 173 V CA 2.112 64.400 62.300 -0.020 0.000 1.024 173 V CB -0.803 31.014 31.823 -0.011 0.000 0.648 173 V HN 0.410 nan 8.190 nan 0.000 0.447 174 N N 0.301 118.984 118.700 -0.029 0.000 2.192 174 N HA -0.182 4.558 4.740 -0.000 0.000 0.188 174 N C 1.792 177.258 175.510 -0.073 0.000 1.013 174 N CA 1.952 54.977 53.050 -0.042 0.000 0.863 174 N CB -0.174 38.286 38.487 -0.045 0.000 0.990 174 N HN 0.440 nan 8.380 nan 0.000 0.430 175 S N -0.361 115.297 115.700 -0.069 0.000 2.395 175 S HA 0.094 4.564 4.470 -0.000 0.000 0.225 175 S C 1.810 176.363 174.600 -0.078 0.000 1.027 175 S CA 0.424 58.572 58.200 -0.087 0.000 0.965 175 S CB -0.135 63.032 63.200 -0.054 0.000 0.812 175 S HN 0.313 nan 8.310 nan 0.000 0.482 176 L N 1.752 122.946 121.223 -0.048 0.000 2.201 176 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 176 L C 2.558 179.398 176.870 -0.050 0.000 1.105 176 L CA 1.371 56.189 54.840 -0.036 0.000 0.775 176 L CB -1.192 40.856 42.059 -0.018 0.000 0.913 176 L HN 0.440 nan 8.230 nan 0.000 0.440 177 T N -3.129 111.396 114.554 -0.049 0.000 3.228 177 T HA -0.086 4.263 4.350 -0.000 0.000 0.261 177 T C 1.501 176.167 174.700 -0.055 0.000 1.171 177 T CA 0.434 62.513 62.100 -0.035 0.000 1.056 177 T CB -0.289 68.572 68.868 -0.011 0.000 0.938 177 T HN 0.271 nan 8.240 nan 0.000 0.539 178 R N 0.473 120.890 120.500 -0.139 0.000 2.393 178 R HA 0.412 4.752 4.340 -0.000 0.000 0.244 178 R C 1.469 177.524 176.300 -0.408 0.000 0.920 178 R CA 0.249 56.193 56.100 -0.261 0.000 1.076 178 R CB 0.045 30.085 30.300 -0.433 0.000 1.119 178 R HN 0.424 nan 8.270 nan 0.000 0.524 179 G N 1.210 109.898 108.800 -0.186 0.000 2.386 179 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.295 179 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.295 179 G C -0.011 174.911 174.900 0.036 0.000 0.979 179 G CA 0.674 45.733 45.100 -0.068 0.000 1.193 179 G HN 0.675 nan 8.290 nan 0.000 0.508 180 H N -1.440 117.634 119.070 0.007 0.000 3.440 180 H HA 0.194 4.750 4.556 -0.000 0.000 0.259 180 H C 1.932 177.268 175.328 0.014 0.000 1.120 180 H CA 0.388 56.434 56.048 -0.002 0.000 1.191 180 H CB 0.956 30.714 29.762 -0.006 0.000 1.537 180 H HN 0.420 nan 8.280 nan 0.000 0.547 181 S N 0.382 116.161 115.700 0.133 0.000 2.539 181 S HA 0.298 4.768 4.470 -0.000 0.000 0.221 181 S C 1.112 175.762 174.600 0.084 0.000 0.987 181 S CA 0.398 58.656 58.200 0.097 0.000 0.929 181 S CB 1.088 64.330 63.200 0.070 0.000 0.832 181 S HN 0.492 nan 8.310 nan 0.000 0.492 182 A N 1.157 124.028 122.820 0.085 0.000 2.610 182 A HA -0.128 4.192 4.320 -0.000 0.000 0.299 182 A C 0.095 177.716 177.584 0.060 0.000 1.487 182 A CA 0.653 52.741 52.037 0.085 0.000 0.743 182 A CB -1.977 17.094 19.000 0.118 0.000 1.070 182 A HN 0.776 nan 8.150 nan 0.000 0.439 183 V N 1.411 121.351 119.914 0.043 0.000 2.487 183 V HA 0.612 4.732 4.120 -0.000 0.000 0.298 183 V C 0.833 176.940 176.094 0.022 0.000 1.028 183 V CA -0.884 61.433 62.300 0.028 0.000 0.860 183 V CB 1.330 33.164 31.823 0.018 0.000 0.991 183 V HN 0.737 nan 8.190 nan 0.000 0.427 184 R N 3.422 123.934 120.500 0.020 0.000 2.862 184 R HA 0.005 4.344 4.340 -0.000 0.000 0.267 184 R C 1.168 177.476 176.300 0.012 0.000 0.995 184 R CA 0.597 56.707 56.100 0.018 0.000 1.140 184 R CB 0.291 30.601 30.300 0.016 0.000 1.031 184 R HN 0.839 nan 8.270 nan 0.000 0.459 185 L N 2.488 123.720 121.223 0.014 0.000 2.240 185 L HA -0.077 4.263 4.340 -0.000 0.000 0.211 185 L C 2.063 178.941 176.870 0.013 0.000 1.106 185 L CA 0.764 55.612 54.840 0.013 0.000 0.793 185 L CB 0.002 42.070 42.059 0.016 0.000 0.927 185 L HN 0.553 nan 8.230 nan 0.000 0.446 186 V N -0.820 119.102 119.914 0.015 0.000 2.568 186 V HA -0.221 3.899 4.120 -0.000 0.000 0.253 186 V C 2.224 178.323 176.094 0.008 0.000 1.072 186 V CA 1.993 64.303 62.300 0.016 0.000 1.084 186 V CB 0.071 31.904 31.823 0.017 0.000 0.676 186 V HN 0.355 nan 8.190 nan 0.000 0.469 187 V N -0.285 119.628 119.914 -0.002 0.000 2.407 187 V HA -0.133 3.987 4.120 -0.000 0.000 0.245 187 V C 2.349 178.427 176.094 -0.027 0.000 1.041 187 V CA 1.788 64.076 62.300 -0.020 0.000 1.040 187 V CB -0.514 31.297 31.823 -0.020 0.000 0.671 187 V HN 0.483 nan 8.190 nan 0.000 0.455 188 L N -0.024 121.191 121.223 -0.012 0.000 2.191 188 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 188 L C 2.330 179.201 176.870 0.002 0.000 1.103 188 L CA 1.674 56.508 54.840 -0.010 0.000 0.769 188 L CB -0.823 41.235 42.059 -0.003 0.000 0.908 188 L HN 0.390 nan 8.230 nan 0.000 0.438 189 E N -0.685 119.524 120.200 0.015 0.000 2.158 189 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 189 E C 2.325 178.958 176.600 0.055 0.000 0.982 189 E CA 0.800 57.223 56.400 0.039 0.000 0.823 189 E CB -0.140 29.587 29.700 0.044 0.000 0.766 189 E HN 0.495 nan 8.360 nan 0.000 0.468 190 A N 1.312 124.145 122.820 0.021 0.000 1.933 190 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 190 A C 2.155 179.718 177.584 -0.035 0.000 1.175 190 A CA 0.987 53.031 52.037 0.011 0.000 0.628 190 A CB -0.519 18.438 19.000 -0.071 0.000 0.814 190 A HN 0.128 nan 8.150 nan 0.000 0.444 191 L N -0.203 120.974 121.223 -0.077 0.000 2.156 191 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 191 L C 2.878 179.780 176.870 0.053 0.000 1.095 191 L CA 1.680 56.473 54.840 -0.079 0.000 0.770 191 L CB -0.768 41.247 42.059 -0.074 0.000 0.914 191 L HN 0.643 nan 8.230 nan 0.000 0.439 192 T N -4.305 110.291 114.554 0.070 0.000 3.014 192 T HA -0.025 4.325 4.350 -0.000 0.000 0.263 192 T C 1.683 176.476 174.700 0.155 0.000 1.078 192 T CA 0.520 62.674 62.100 0.091 0.000 1.135 192 T CB -0.200 68.705 68.868 0.062 0.000 0.895 192 T HN 0.194 nan 8.240 nan 0.000 0.480 193 N N 0.889 119.720 118.700 0.218 0.000 2.135 193 N HA 0.042 4.782 4.740 -0.000 0.000 0.186 193 N C 1.441 177.181 175.510 0.385 0.000 1.027 193 N CA 0.937 54.186 53.050 0.331 0.000 0.849 193 N CB -0.534 38.121 38.487 0.279 0.000 1.002 193 N HN 0.307 nan 8.380 nan 0.000 0.425 194 F N 1.859 121.839 119.950 0.049 0.000 2.095 194 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 194 F C 2.373 178.180 175.800 0.012 0.000 1.104 194 F CA 0.711 58.711 58.000 -0.001 0.000 1.232 194 F CB -0.852 38.141 39.000 -0.012 0.000 0.987 194 F HN -0.029 nan 8.300 nan 0.000 0.475 195 L N -0.319 121.033 121.223 0.215 0.000 1.994 195 L HA -0.274 4.066 4.340 -0.000 0.000 0.208 195 L C 2.152 179.054 176.870 0.054 0.000 1.071 195 L CA 1.479 56.383 54.840 0.107 0.000 0.745 195 L CB -0.726 41.381 42.059 0.080 0.000 0.892 195 L HN 0.123 nan 8.230 nan 0.000 0.431 196 N N -0.883 117.847 118.700 0.050 0.000 2.453 196 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 196 N C 1.254 176.660 175.510 -0.174 0.000 1.041 196 N CA 1.028 54.046 53.050 -0.054 0.000 0.900 196 N CB -0.213 38.226 38.487 -0.079 0.000 0.961 196 N HN 0.493 nan 8.380 nan 0.000 0.443 197 H N -1.062 117.953 119.070 -0.091 0.000 2.586 197 H HA 0.304 4.860 4.556 -0.000 0.000 0.273 197 H C 1.008 176.163 175.328 -0.289 0.000 0.997 197 H CA 0.345 56.262 56.048 -0.218 0.000 1.177 197 H CB 0.308 29.787 29.762 -0.472 0.000 1.471 197 H HN 0.170 nan 8.280 nan 0.000 0.538 198 G N 1.250 110.009 108.800 -0.068 0.000 2.198 198 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 198 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 198 G C -0.062 174.784 174.900 -0.090 0.000 1.042 198 G CA 0.085 45.160 45.100 -0.042 0.000 0.791 198 G HN 0.385 nan 8.290 nan 0.000 0.502 199 I N 1.590 122.059 120.570 -0.169 0.000 2.330 199 I HA 0.307 4.477 4.170 -0.000 0.000 0.286 199 I C 0.092 176.215 176.117 0.010 0.000 1.025 199 I CA -0.284 60.876 61.300 -0.234 0.000 1.197 199 I CB 1.440 39.007 38.000 -0.721 0.000 1.358 199 I HN 0.022 nan 8.210 nan 0.000 0.467 200 T N 7.311 121.922 114.554 0.096 0.000 2.772 200 T HA 0.339 4.689 4.350 -0.000 0.000 0.288 200 T C -2.464 172.326 174.700 0.150 0.000 0.994 200 T CA -1.458 60.724 62.100 0.137 0.000 0.951 200 T CB 1.502 70.416 68.868 0.076 0.000 0.933 200 T HN 0.202 nan 8.240 nan 0.000 0.447 201 P HA 0.178 nan 4.420 nan 0.000 0.265 201 P C -0.428 176.919 177.300 0.078 0.000 1.193 201 P CA -0.181 63.008 63.100 0.148 0.000 0.765 201 P CB 0.388 32.177 31.700 0.147 0.000 0.823 202 I N 3.656 124.264 120.570 0.063 0.000 2.312 202 I HA 0.212 4.382 4.170 -0.000 0.000 0.291 202 I C 0.500 176.574 176.117 -0.071 0.000 1.031 202 I CA -0.406 60.897 61.300 0.005 0.000 1.293 202 I CB 0.664 38.676 38.000 0.019 0.000 1.403 202 I HN 0.126 nan 8.210 nan 0.000 0.484 203 V N 6.057 125.879 119.914 -0.153 0.000 2.864 203 V HA 0.702 4.822 4.120 -0.000 0.000 0.314 203 V C -2.649 173.219 176.094 -0.376 0.000 1.073 203 V CA -2.406 59.674 62.300 -0.366 0.000 0.956 203 V CB 1.890 33.560 31.823 -0.255 0.000 1.023 203 V HN 0.465 nan 8.190 nan 0.000 0.435 204 P HA 0.088 nan 4.420 nan 0.000 0.271 204 P C 0.515 177.687 177.300 -0.214 0.000 1.216 204 P CA -0.113 62.785 63.100 -0.337 0.000 0.776 204 P CB 1.461 32.943 31.700 -0.363 0.000 0.881 205 L N 3.338 124.475 121.223 -0.144 0.000 2.093 205 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 205 L C 1.131 177.952 176.870 -0.080 0.000 1.085 205 L CA 1.745 56.524 54.840 -0.101 0.000 0.755 205 L CB -0.358 41.652 42.059 -0.081 0.000 0.904 205 L HN 0.366 nan 8.230 nan 0.000 0.435 206 R N -2.525 117.929 120.500 -0.077 0.000 2.892 206 R HA 0.599 4.939 4.340 -0.000 0.000 0.265 206 R C 0.285 176.558 176.300 -0.045 0.000 1.025 206 R CA -0.037 56.032 56.100 -0.052 0.000 0.982 206 R CB 1.488 31.763 30.300 -0.041 0.000 1.185 206 R HN 0.078 nan 8.270 nan 0.000 0.484 207 G N -0.072 108.713 108.800 -0.024 0.000 2.813 207 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.194 207 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.194 207 G C -0.039 174.861 174.900 0.001 0.000 1.010 207 G CA -0.009 45.086 45.100 -0.008 0.000 0.771 207 G HN 0.589 nan 8.290 nan 0.000 0.485 208 T N 1.154 115.706 114.554 -0.004 0.000 2.837 208 T HA 0.584 4.934 4.350 -0.000 0.000 0.285 208 T C 1.435 176.139 174.700 0.006 0.000 0.984 208 T CA -0.108 61.993 62.100 0.002 0.000 1.049 208 T CB 0.730 69.598 68.868 -0.001 0.000 0.947 208 T HN 0.862 nan 8.240 nan 0.000 0.472 209 I N 1.574 122.150 120.570 0.012 0.000 3.914 209 I HA 0.393 4.563 4.170 -0.000 0.000 0.333 209 I C 0.542 176.677 176.117 0.029 0.000 1.449 209 I CA -0.779 60.533 61.300 0.019 0.000 1.135 209 I CB -0.614 37.400 38.000 0.022 0.000 1.073 209 I HN 0.560 nan 8.210 nan 0.000 0.401 215 L N 0.610 121.824 121.223 -0.015 0.000 2.012 215 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 215 L C 2.348 179.211 176.870 -0.012 0.000 1.073 215 L CA 2.074 56.897 54.840 -0.027 0.000 0.748 215 L CB -0.438 41.591 42.059 -0.050 0.000 0.891 215 L HN 0.191 nan 8.230 nan 0.000 0.431 216 S N -0.586 115.122 115.700 0.013 0.000 2.343 216 S HA -0.070 4.400 4.470 -0.000 0.000 0.219 216 S C -0.417 174.288 174.600 0.174 0.000 1.033 216 S CA 1.541 59.786 58.200 0.074 0.000 1.014 216 S CB -1.145 62.107 63.200 0.086 0.000 0.915 216 S HN 0.360 nan 8.310 nan 0.000 0.435 217 P HA -0.100 nan 4.420 nan 0.000 0.215 217 P C 1.572 178.936 177.300 0.107 0.000 1.157 217 P CA 0.910 64.053 63.100 0.073 0.000 0.874 217 P CB -0.214 31.481 31.700 -0.009 0.000 0.790 218 L N 0.384 121.638 121.223 0.051 0.000 2.021 218 L HA -0.161 4.179 4.340 -0.000 0.000 0.215 218 L C 2.715 179.597 176.870 0.020 0.000 1.074 218 L CA 1.828 56.683 54.840 0.024 0.000 0.760 218 L CB -2.109 39.951 42.059 0.002 0.000 0.889 218 L HN -0.008 nan 8.230 nan 0.000 0.433 219 S N -1.513 114.192 115.700 0.008 0.000 2.374 219 S HA -0.244 4.226 4.470 -0.000 0.000 0.227 219 S C 1.877 176.413 174.600 -0.105 0.000 1.037 219 S CA 1.366 59.518 58.200 -0.079 0.000 1.024 219 S CB -0.513 62.591 63.200 -0.161 0.000 0.861 219 S HN 0.426 nan 8.310 nan 0.000 0.456 220 Y N 1.152 121.398 120.300 -0.090 0.000 2.352 220 Y HA 0.031 4.581 4.550 -0.000 0.000 0.292 220 Y C 1.982 177.842 175.900 -0.067 0.000 1.136 220 Y CA 0.544 58.592 58.100 -0.088 0.000 1.227 220 Y CB -0.389 38.025 38.460 -0.076 0.000 0.991 220 Y HN 0.252 nan 8.280 nan 0.000 0.545 221 I N -1.153 119.461 120.570 0.074 0.000 2.277 221 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 221 I C 2.567 178.640 176.117 -0.073 0.000 1.094 221 I CA 0.896 62.195 61.300 -0.001 0.000 1.393 221 I CB -0.610 37.377 38.000 -0.020 0.000 1.078 221 I HN 0.142 nan 8.210 nan 0.000 0.417 222 A N 1.124 123.904 122.820 -0.068 0.000 1.865 222 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 222 A C 2.553 180.095 177.584 -0.070 0.000 1.191 222 A CA 2.127 54.114 52.037 -0.083 0.000 0.623 222 A CB -1.029 17.930 19.000 -0.069 0.000 0.826 222 A HN 0.422 nan 8.150 nan 0.000 0.444 223 A N -0.395 122.383 122.820 -0.070 0.000 1.978 223 A HA 0.101 4.421 4.320 -0.000 0.000 0.220 223 A C 2.454 180.060 177.584 0.036 0.000 1.170 223 A CA 2.290 54.309 52.037 -0.029 0.000 0.636 223 A CB -0.931 17.957 19.000 -0.186 0.000 0.810 223 A HN 1.080 nan 8.150 nan 0.000 0.448 224 A N 0.768 123.599 122.820 0.019 0.000 1.855 224 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 224 A C 2.075 179.706 177.584 0.078 0.000 1.191 224 A CA 1.426 53.526 52.037 0.105 0.000 0.613 224 A CB -0.802 18.294 19.000 0.161 0.000 0.829 224 A HN 1.003 nan 8.150 nan 0.000 0.442 225 I N -1.243 119.197 120.570 -0.217 0.000 2.916 225 I HA -0.069 4.101 4.170 -0.000 0.000 0.267 225 I C 1.543 177.619 176.117 -0.068 0.000 1.263 225 I CA 1.603 62.691 61.300 -0.353 0.000 1.471 225 I CB -0.224 37.434 38.000 -0.570 0.000 1.089 225 I HN 0.282 nan 8.210 nan 0.000 0.468 226 S N 0.228 115.922 115.700 -0.010 0.000 2.554 226 S HA 0.422 4.892 4.470 -0.000 0.000 0.226 226 S C 1.439 176.078 174.600 0.065 0.000 0.980 226 S CA 0.085 58.298 58.200 0.022 0.000 0.939 226 S CB 0.096 63.302 63.200 0.010 0.000 0.832 226 S HN 0.771 nan 8.310 nan 0.000 0.486 227 G N 2.441 111.307 108.800 0.110 0.000 2.295 227 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.287 227 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.287 227 G C -0.060 174.917 174.900 0.128 0.000 1.055 227 G CA 0.242 45.419 45.100 0.129 0.000 0.922 227 G HN 0.796 nan 8.290 nan 0.000 0.503 228 H N 0.639 119.738 119.070 0.048 0.000 2.928 228 H HA 0.122 4.678 4.556 -0.000 0.000 0.338 228 H C -0.729 174.647 175.328 0.080 0.000 1.047 228 H CA -0.566 55.502 56.048 0.033 0.000 1.435 228 H CB 0.969 30.726 29.762 -0.009 0.000 1.428 228 H HN 0.113 nan 8.280 nan 0.000 0.590 229 P HA -0.138 nan 4.420 nan 0.000 0.216 229 P C 0.842 178.396 177.300 0.423 0.000 1.150 229 P CA 1.387 64.603 63.100 0.193 0.000 0.843 229 P CB 0.375 32.088 31.700 0.021 0.000 0.787 230 D N -1.900 118.817 120.400 0.529 0.000 2.354 230 D HA 0.049 4.689 4.640 -0.000 0.000 0.209 230 D C 0.032 176.360 176.300 0.046 0.000 1.015 230 D CA 0.306 54.469 54.000 0.272 0.000 0.867 230 D CB -0.216 40.686 40.800 0.170 0.000 0.933 230 D HN -0.014 nan 8.370 nan 0.000 0.520 231 S N 1.026 116.787 115.700 0.101 0.000 2.546 231 S HA 0.043 4.513 4.470 -0.000 0.000 0.290 231 S C 0.340 174.899 174.600 -0.069 0.000 1.262 231 S CA 0.321 58.533 58.200 0.019 0.000 1.083 231 S CB 0.795 64.055 63.200 0.100 0.000 0.859 231 S HN 0.054 nan 8.310 nan 0.000 0.495 232 K N 2.325 122.663 120.400 -0.103 0.000 2.244 232 K HA 0.592 4.912 4.320 -0.000 0.000 0.260 232 K C -0.422 176.176 176.600 -0.005 0.000 0.951 232 K CA -0.694 55.500 56.287 -0.155 0.000 0.826 232 K CB 1.568 33.922 32.500 -0.245 0.000 1.108 232 K HN 0.495 nan 8.250 nan 0.000 0.433 233 V N -0.882 119.050 119.914 0.030 0.000 3.046 233 V HA 0.502 4.622 4.120 -0.000 0.000 0.316 233 V C -0.706 175.450 176.094 0.104 0.000 1.104 233 V CA -0.890 61.461 62.300 0.085 0.000 1.006 233 V CB 1.863 33.733 31.823 0.079 0.000 1.058 233 V HN 0.814 nan 8.190 nan 0.000 0.440 234 H N 1.161 120.247 119.070 0.028 0.000 2.457 234 H HA 0.866 5.422 4.556 -0.000 0.000 0.335 234 H C -1.507 173.829 175.328 0.012 0.000 1.115 234 H CA -0.372 55.700 56.048 0.040 0.000 1.219 234 H CB 1.921 31.714 29.762 0.052 0.000 1.471 234 H HN 0.783 nan 8.280 nan 0.000 0.491 235 V N 5.187 124.900 119.914 -0.335 0.000 3.098 235 V HA 0.200 4.320 4.120 -0.000 0.000 0.294 235 V C -1.370 174.639 176.094 -0.142 0.000 1.351 235 V CA -0.721 61.503 62.300 -0.126 0.000 0.999 235 V CB 2.393 34.176 31.823 -0.066 0.000 1.104 235 V HN 0.564 nan 8.190 nan 0.000 0.438 236 V N 5.154 125.086 119.914 0.029 0.000 2.368 236 V HA 0.377 4.497 4.120 -0.000 0.000 0.266 236 V C -0.374 175.837 176.094 0.195 0.000 1.045 236 V CA -0.326 62.020 62.300 0.078 0.000 0.899 236 V CB 0.814 32.696 31.823 0.098 0.000 1.006 236 V HN 0.892 nan 8.190 nan 0.000 0.470 237 H N 5.568 124.668 119.070 0.049 0.000 2.691 237 H HA 0.371 4.927 4.556 -0.000 0.000 0.281 237 H C -0.001 175.335 175.328 0.013 0.000 1.121 237 H CA -0.452 55.629 56.048 0.056 0.000 1.254 237 H CB 0.180 29.962 29.762 0.034 0.000 1.390 237 H HN 0.714 nan 8.280 nan 0.000 0.491 238 E N 3.913 123.970 120.200 -0.238 0.000 2.302 238 E HA -0.218 4.131 4.350 -0.000 0.000 0.186 238 E C 1.136 177.662 176.600 -0.123 0.000 1.444 238 E CA 1.231 57.483 56.400 -0.246 0.000 0.671 238 E CB -1.897 27.538 29.700 -0.442 0.000 1.122 238 E HN 1.147 nan 8.360 nan 0.000 0.366 239 G N 0.589 109.360 108.800 -0.048 0.000 3.586 239 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.212 239 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.212 239 G C 0.252 175.154 174.900 0.003 0.000 1.411 239 G CA 0.647 45.735 45.100 -0.020 0.000 0.898 239 G HN 0.645 nan 8.290 nan 0.000 0.575 240 K N 1.875 122.274 120.400 -0.002 0.000 2.098 240 K HA 0.737 5.057 4.320 -0.000 0.000 0.257 240 K C 0.139 176.752 176.600 0.020 0.000 0.999 240 K CA -0.522 55.773 56.287 0.013 0.000 0.924 240 K CB 1.791 34.293 32.500 0.003 0.000 1.028 240 K HN 0.508 nan 8.250 nan 0.000 0.466 241 E N 0.840 121.048 120.200 0.013 0.000 2.421 241 E HA 0.221 4.571 4.350 -0.000 0.000 0.253 241 E C -0.752 175.796 176.600 -0.087 0.000 1.277 241 E CA -0.321 56.046 56.400 -0.054 0.000 0.968 241 E CB 0.710 30.425 29.700 0.025 0.000 1.040 241 E HN 0.409 nan 8.360 nan 0.000 0.512 242 K N 0.106 120.382 120.400 -0.208 0.000 2.675 242 K HA 0.326 4.646 4.320 -0.000 0.000 0.280 242 K C -1.588 174.953 176.600 -0.098 0.000 0.993 242 K CA -0.466 55.756 56.287 -0.107 0.000 0.863 242 K CB 1.194 33.667 32.500 -0.045 0.000 1.438 242 K HN 0.332 nan 8.250 nan 0.000 0.389 243 I N 4.380 124.981 120.570 0.052 0.000 2.464 243 I HA 0.247 4.417 4.170 -0.000 0.000 0.277 243 I C -0.872 175.340 176.117 0.158 0.000 1.040 243 I CA -0.748 60.634 61.300 0.137 0.000 1.153 243 I CB 0.769 38.932 38.000 0.271 0.000 1.274 243 I HN 0.190 nan 8.210 nan 0.000 0.469 244 L N 5.138 126.415 121.223 0.092 0.000 2.298 244 L HA 0.495 4.835 4.340 -0.000 0.000 0.268 244 L C -0.152 176.800 176.870 0.137 0.000 1.010 244 L CA -0.942 53.984 54.840 0.142 0.000 0.812 244 L CB 0.521 42.633 42.059 0.087 0.000 1.331 244 L HN 0.269 nan 8.230 nan 0.000 0.450 245 Y N -0.146 120.186 120.300 0.054 0.000 2.379 245 Y HA 0.205 4.755 4.550 -0.000 0.000 0.337 245 Y C 1.414 177.351 175.900 0.062 0.000 1.238 245 Y CA 0.582 58.719 58.100 0.063 0.000 1.405 245 Y CB 0.734 39.228 38.460 0.058 0.000 1.310 245 Y HN 0.725 nan 8.280 nan 0.000 0.569 246 A N 2.667 125.605 122.820 0.196 0.000 1.917 246 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 246 A C 2.126 179.806 177.584 0.160 0.000 1.182 246 A CA 1.992 54.136 52.037 0.178 0.000 0.633 246 A CB -0.507 18.625 19.000 0.220 0.000 0.819 246 A HN 0.860 nan 8.150 nan 0.000 0.448 247 R N -0.767 119.837 120.500 0.173 0.000 2.323 247 R HA -0.005 4.335 4.340 -0.000 0.000 0.198 247 R C 1.840 178.191 176.300 0.084 0.000 0.988 247 R CA 1.016 57.187 56.100 0.118 0.000 1.041 247 R CB -0.038 30.322 30.300 0.100 0.000 0.926 247 R HN 0.795 nan 8.270 nan 0.000 0.476 248 E N -0.569 119.692 120.200 0.101 0.000 2.307 248 E HA 0.102 4.451 4.350 -0.000 0.000 0.195 248 E C 0.047 176.668 176.600 0.035 0.000 0.975 248 E CA 0.126 56.562 56.400 0.060 0.000 0.878 248 E CB 0.336 30.089 29.700 0.088 0.000 0.845 248 E HN 0.281 nan 8.360 nan 0.000 0.488 252 L N 0.158 121.373 121.223 -0.014 0.000 2.633 252 L HA 0.254 4.594 4.340 -0.000 0.000 0.235 252 L C 0.640 177.276 176.870 -0.389 0.000 1.163 252 L CA 1.679 56.413 54.840 -0.178 0.000 0.859 252 L CB -0.880 41.017 42.059 -0.270 0.000 0.973 252 L HN 0.505 nan 8.230 nan 0.000 0.451 253 F N -1.757 118.139 119.950 -0.091 0.000 2.960 253 F HA 0.247 4.774 4.527 -0.000 0.000 0.345 253 F C 0.682 176.408 175.800 -0.123 0.000 1.147 253 F CA -0.652 57.280 58.000 -0.113 0.000 1.099 253 F CB 0.085 38.933 39.000 -0.253 0.000 1.219 253 F HN 0.008 nan 8.300 nan 0.000 0.525 254 N N 1.216 119.944 118.700 0.047 0.000 2.754 254 N HA -0.153 4.587 4.740 -0.000 0.000 0.248 254 N C -0.720 174.804 175.510 0.022 0.000 1.093 254 N CA 0.436 53.503 53.050 0.028 0.000 0.699 254 N CB -1.186 37.320 38.487 0.032 0.000 1.016 254 N HN 0.146 nan 8.380 nan 0.000 0.552 255 L N 0.314 121.544 121.223 0.012 0.000 2.360 255 L HA 0.446 4.786 4.340 -0.000 0.000 0.271 255 L C 0.716 177.615 176.870 0.049 0.000 1.057 255 L CA -0.061 54.788 54.840 0.015 0.000 0.803 255 L CB 1.319 43.371 42.059 -0.012 0.000 1.207 255 L HN 0.061 nan 8.230 nan 0.000 0.445 256 E N 3.432 123.670 120.200 0.063 0.000 2.185 256 E HA 0.395 4.745 4.350 -0.000 0.000 0.261 256 E C -2.274 174.369 176.600 0.072 0.000 0.879 256 E CA -1.844 54.591 56.400 0.059 0.000 0.756 256 E CB 1.033 30.759 29.700 0.043 0.000 1.152 256 E HN 0.249 nan 8.360 nan 0.000 0.416 257 P HA -0.080 nan 4.420 nan 0.000 0.261 257 P C -0.384 176.942 177.300 0.044 0.000 1.165 257 P CA 0.058 63.202 63.100 0.075 0.000 0.759 257 P CB 0.443 32.183 31.700 0.068 0.000 0.772 258 V N 4.432 124.362 119.914 0.028 0.000 2.614 258 V HA 0.035 4.155 4.120 -0.000 0.000 0.291 258 V C 0.707 176.804 176.094 0.005 0.000 1.049 258 V CA -0.275 62.031 62.300 0.009 0.000 1.038 258 V CB 1.524 33.339 31.823 -0.014 0.000 0.980 258 V HN 0.287 nan 8.190 nan 0.000 0.481 259 V N 7.006 126.923 119.914 0.006 0.000 2.277 259 V HA 0.303 4.423 4.120 -0.000 0.000 0.269 259 V C 0.292 176.387 176.094 0.001 0.000 1.036 259 V CA -0.446 61.856 62.300 0.003 0.000 0.821 259 V CB 0.712 32.538 31.823 0.004 0.000 1.052 259 V HN 0.617 nan 8.190 nan 0.000 0.462 260 L N 3.723 124.945 121.223 -0.002 0.000 2.516 260 L HA 0.322 4.662 4.340 -0.000 0.000 0.288 260 L C 1.151 178.023 176.870 0.003 0.000 1.246 260 L CA 0.718 55.557 54.840 -0.002 0.000 0.844 260 L CB 0.070 42.127 42.059 -0.005 0.000 1.106 260 L HN 0.712 nan 8.230 nan 0.000 0.509 261 G N 1.191 109.994 108.800 0.006 0.000 3.108 261 G HA2 0.583 4.543 3.960 -0.000 0.000 0.268 261 G HA3 0.583 4.543 3.960 -0.000 0.000 0.268 261 G C -2.830 172.077 174.900 0.012 0.000 1.361 261 G CA -1.421 43.684 45.100 0.008 0.000 1.047 261 G HN 0.334 nan 8.290 nan 0.000 0.540 262 P HA -0.048 nan 4.420 nan 0.000 0.263 262 P C 0.651 177.965 177.300 0.024 0.000 1.168 262 P CA 0.744 63.854 63.100 0.016 0.000 0.759 262 P CB 0.626 32.334 31.700 0.013 0.000 0.782 263 K N 2.138 122.555 120.400 0.028 0.000 3.518 263 K HA -0.394 3.926 4.320 -0.000 0.000 0.285 263 K C 1.181 177.801 176.600 0.033 0.000 1.081 263 K CA 2.140 58.450 56.287 0.038 0.000 1.081 263 K CB -0.946 31.585 32.500 0.053 0.000 1.441 263 K HN 0.526 nan 8.250 nan 0.000 0.420 264 E N -0.883 119.333 120.200 0.026 0.000 2.147 264 E HA -0.195 4.155 4.350 -0.000 0.000 0.199 264 E C 1.871 178.477 176.600 0.010 0.000 1.005 264 E CA 1.391 57.802 56.400 0.019 0.000 0.810 264 E CB -0.238 29.469 29.700 0.012 0.000 0.736 264 E HN 0.650 nan 8.360 nan 0.000 0.460 265 G N 1.546 110.351 108.800 0.007 0.000 2.394 265 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.215 265 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.215 265 G C 1.474 176.374 174.900 0.001 0.000 1.165 265 G CA 0.159 45.257 45.100 -0.003 0.000 0.784 265 G HN 0.161 nan 8.290 nan 0.000 0.535 266 L N 1.609 122.842 121.223 0.016 0.000 2.046 266 L HA 0.041 4.381 4.340 -0.000 0.000 0.208 266 L C 2.599 179.488 176.870 0.032 0.000 1.077 266 L CA 2.513 57.368 54.840 0.025 0.000 0.747 266 L CB -1.407 40.677 42.059 0.042 0.000 0.896 266 L HN 0.256 nan 8.230 nan 0.000 0.432 267 G N -0.051 108.771 108.800 0.037 0.000 2.422 267 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 267 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 267 G C 1.721 176.637 174.900 0.026 0.000 1.140 267 G CA 0.610 45.735 45.100 0.043 0.000 0.775 267 G HN 0.387 nan 8.290 nan 0.000 0.545 268 L N 0.757 121.986 121.223 0.010 0.000 2.023 268 L HA -0.037 4.303 4.340 -0.000 0.000 0.205 268 L C 3.063 179.928 176.870 -0.009 0.000 1.073 268 L CA 1.588 56.424 54.840 -0.006 0.000 0.745 268 L CB -0.237 41.810 42.059 -0.020 0.000 0.900 268 L HN 0.270 nan 8.230 nan 0.000 0.435 269 V N -2.931 116.975 119.914 -0.013 0.000 3.041 269 V HA 0.007 4.127 4.120 -0.000 0.000 0.260 269 V C 1.284 177.374 176.094 -0.008 0.000 1.105 269 V CA 0.311 62.599 62.300 -0.019 0.000 1.125 269 V CB -0.718 31.080 31.823 -0.041 0.000 0.730 269 V HN 0.333 nan 8.190 nan 0.000 0.479 270 N N 1.276 119.982 118.700 0.009 0.000 2.444 270 N HA 0.499 5.239 4.740 -0.000 0.000 0.255 270 N C 0.361 175.902 175.510 0.051 0.000 1.255 270 N CA 1.683 54.748 53.050 0.026 0.000 0.933 270 N CB 1.065 39.588 38.487 0.059 0.000 1.143 270 N HN 0.866 nan 8.380 nan 0.000 0.453 271 G N -0.699 108.153 108.800 0.086 0.000 2.462 271 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.685 271 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.685 271 G C -0.237 174.709 174.900 0.077 0.000 1.295 271 G CA -0.019 45.138 45.100 0.095 0.000 0.941 271 G HN 0.698 nan 8.290 nan 0.000 0.554 272 T N -2.697 111.896 114.554 0.064 0.000 3.331 272 T HA 0.666 5.016 4.350 -0.000 0.000 0.282 272 T C 1.784 176.497 174.700 0.022 0.000 1.010 272 T CA 1.040 63.168 62.100 0.047 0.000 0.928 272 T CB 0.778 69.680 68.868 0.056 0.000 1.154 272 T HN 2.023 nan 8.240 nan 0.000 0.516 273 A N 1.279 124.107 122.820 0.014 0.000 1.902 273 A HA 0.059 4.379 4.320 -0.000 0.000 0.217 273 A C 2.275 179.857 177.584 -0.003 0.000 1.181 273 A CA 1.648 53.685 52.037 0.001 0.000 0.623 273 A CB -0.938 18.060 19.000 -0.003 0.000 0.818 273 A HN 0.473 nan 8.150 nan 0.000 0.443 274 V N 0.914 120.828 119.914 -0.001 0.000 2.295 274 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 274 V C 2.843 178.933 176.094 -0.007 0.000 1.049 274 V CA 2.361 64.657 62.300 -0.006 0.000 1.024 274 V CB -0.969 30.850 31.823 -0.007 0.000 0.648 274 V HN 0.786 nan 8.190 nan 0.000 0.447 275 S N 0.345 116.045 115.700 -0.000 0.000 2.522 275 S HA 0.131 4.601 4.470 -0.000 0.000 0.227 275 S C 1.834 176.432 174.600 -0.002 0.000 0.986 275 S CA 0.822 59.021 58.200 -0.000 0.000 0.929 275 S CB -0.029 63.175 63.200 0.008 0.000 0.769 275 S HN 0.531 nan 8.310 nan 0.000 0.529 276 A N 1.574 124.391 122.820 -0.004 0.000 1.935 276 A HA 0.285 4.605 4.320 -0.000 0.000 0.214 276 A C 1.571 179.146 177.584 -0.015 0.000 1.178 276 A CA 0.682 52.713 52.037 -0.010 0.000 0.640 276 A CB -0.856 18.137 19.000 -0.013 0.000 0.825 276 A HN 0.512 nan 8.150 nan 0.000 0.447 280 T N 1.222 115.775 114.554 -0.002 0.000 2.708 280 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 280 T C 1.789 176.515 174.700 0.043 0.000 1.037 280 T CA 1.852 63.959 62.100 0.012 0.000 1.146 280 T CB -0.299 68.565 68.868 -0.006 0.000 0.865 280 T HN 0.169 nan 8.240 nan 0.000 0.435 281 L N 1.201 122.429 121.223 0.009 0.000 2.042 281 L HA 0.021 4.361 4.340 -0.000 0.000 0.210 281 L C 2.789 179.689 176.870 0.050 0.000 1.076 281 L CA 1.655 56.492 54.840 -0.005 0.000 0.749 281 L CB -1.571 40.466 42.059 -0.038 0.000 0.893 281 L HN 0.262 nan 8.230 nan 0.000 0.432 282 A N -1.117 121.723 122.820 0.033 0.000 1.898 282 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 282 A C 2.233 179.840 177.584 0.039 0.000 1.181 282 A CA 1.520 53.576 52.037 0.032 0.000 0.620 282 A CB -0.722 18.282 19.000 0.008 0.000 0.819 282 A HN 0.352 nan 8.150 nan 0.000 0.442 283 L N -0.492 120.753 121.223 0.036 0.000 2.093 283 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 283 L C 2.365 179.263 176.870 0.047 0.000 1.085 283 L CA 2.568 57.398 54.840 -0.018 0.000 0.755 283 L CB -0.857 41.205 42.059 0.005 0.000 0.904 283 L HN 0.659 nan 8.230 nan 0.000 0.435 284 H N -0.209 118.915 119.070 0.090 0.000 2.290 284 H HA -0.182 4.374 4.556 -0.000 0.000 0.298 284 H C 1.467 176.861 175.328 0.110 0.000 1.087 284 H CA 2.213 58.363 56.048 0.169 0.000 1.291 284 H CB -0.080 29.744 29.762 0.105 0.000 1.369 284 H HN 0.393 nan 8.280 nan 0.000 0.492 285 D N 0.616 121.175 120.400 0.265 0.000 2.178 285 D HA -0.048 4.592 4.640 -0.000 0.000 0.202 285 D C 2.236 178.556 176.300 0.034 0.000 0.974 285 D CA 1.116 55.205 54.000 0.147 0.000 0.841 285 D CB -0.459 40.419 40.800 0.130 0.000 0.953 285 D HN 0.506 nan 8.370 nan 0.000 0.478 286 A N 0.970 123.785 122.820 -0.009 0.000 2.015 286 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 286 A C 1.239 178.778 177.584 -0.076 0.000 1.163 286 A CA 0.832 52.832 52.037 -0.062 0.000 0.646 286 A CB -0.421 18.509 19.000 -0.117 0.000 0.806 286 A HN 0.214 nan 8.150 nan 0.000 0.448 290 S N 0.068 115.787 115.700 0.032 0.000 2.356 290 S HA -0.063 4.407 4.470 -0.000 0.000 0.223 290 S C 1.926 176.543 174.600 0.028 0.000 1.032 290 S CA 1.748 59.972 58.200 0.040 0.000 1.005 290 S CB -0.070 63.157 63.200 0.046 0.000 0.867 290 S HN 0.333 nan 8.310 nan 0.000 0.449 291 L N 0.850 122.081 121.223 0.012 0.000 2.056 291 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 291 L C 2.518 179.378 176.870 -0.017 0.000 1.078 291 L CA 0.897 55.730 54.840 -0.011 0.000 0.749 291 L CB -0.645 41.395 42.059 -0.031 0.000 0.901 291 L HN 0.366 nan 8.230 nan 0.000 0.433 292 L N -0.366 120.850 121.223 -0.011 0.000 2.046 292 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 292 L C 2.735 179.599 176.870 -0.010 0.000 1.077 292 L CA 2.030 56.862 54.840 -0.014 0.000 0.747 292 L CB -0.754 41.305 42.059 0.001 0.000 0.896 292 L HN 0.180 nan 8.230 nan 0.000 0.432 293 S N -0.956 114.755 115.700 0.018 0.000 2.365 293 S HA -0.310 4.160 4.470 -0.000 0.000 0.225 293 S C 2.001 176.610 174.600 0.015 0.000 1.039 293 S CA 1.941 60.164 58.200 0.039 0.000 1.033 293 S CB -0.305 62.942 63.200 0.078 0.000 0.887 293 S HN 0.728 nan 8.310 nan 0.000 0.447 294 Q N 0.121 119.922 119.800 0.003 0.000 2.167 294 Q HA -0.021 4.319 4.340 -0.000 0.000 0.202 294 Q C 2.528 178.494 176.000 -0.056 0.000 0.970 294 Q CA 1.588 57.377 55.803 -0.023 0.000 0.855 294 Q CB -0.188 28.531 28.738 -0.032 0.000 0.911 294 Q HN 0.537 nan 8.270 nan 0.000 0.438 295 S N 0.926 116.595 115.700 -0.053 0.000 2.356 295 S HA -0.114 4.356 4.470 -0.000 0.000 0.223 295 S C 1.922 176.474 174.600 -0.080 0.000 1.032 295 S CA 0.955 59.119 58.200 -0.060 0.000 1.005 295 S CB -0.255 62.916 63.200 -0.048 0.000 0.867 295 S HN 0.289 nan 8.310 nan 0.000 0.449 296 L N 1.056 122.210 121.223 -0.115 0.000 2.079 296 L HA -0.149 4.190 4.340 -0.000 0.000 0.210 296 L C 2.660 179.445 176.870 -0.141 0.000 1.081 296 L CA 1.173 55.874 54.840 -0.232 0.000 0.752 296 L CB -1.197 40.597 42.059 -0.442 0.000 0.896 296 L HN 0.319 nan 8.230 nan 0.000 0.433 297 T N -0.079 114.441 114.554 -0.058 0.000 2.746 297 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 297 T C 1.168 175.850 174.700 -0.029 0.000 1.039 297 T CA 0.903 63.002 62.100 -0.001 0.000 1.142 297 T CB -0.209 68.666 68.868 0.011 0.000 0.866 297 T HN 0.433 nan 8.240 nan 0.000 0.444 301 V N 2.337 122.268 119.914 0.029 0.000 2.392 301 V HA -0.169 3.951 4.120 -0.000 0.000 0.249 301 V C 2.380 178.480 176.094 0.010 0.000 1.059 301 V CA 2.228 64.559 62.300 0.052 0.000 1.051 301 V CB -0.479 31.422 31.823 0.131 0.000 0.658 301 V HN 0.526 nan 8.190 nan 0.000 0.455 302 E N 0.331 120.527 120.200 -0.007 0.000 2.015 302 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 302 E C 1.472 177.909 176.600 -0.271 0.000 0.991 302 E CA 0.852 57.235 56.400 -0.028 0.000 0.802 302 E CB -0.263 29.455 29.700 0.030 0.000 0.759 302 E HN 0.625 nan 8.360 nan 0.000 0.447 306 G N -0.777 107.968 108.800 -0.092 0.000 2.511 306 G HA2 0.560 4.520 3.960 -0.000 0.000 0.316 306 G HA3 0.560 4.520 3.960 -0.000 0.000 0.316 306 G C -0.531 174.243 174.900 -0.209 0.000 1.210 306 G CA -0.520 44.482 45.100 -0.164 0.000 0.969 306 G HN 0.442 nan 8.290 nan 0.000 0.492 307 H N 0.529 119.612 119.070 0.022 0.000 2.800 307 H HA 0.274 4.830 4.556 -0.000 0.000 0.291 307 H C 1.081 176.433 175.328 0.040 0.000 1.076 307 H CA 0.301 56.348 56.048 -0.002 0.000 1.452 307 H CB 1.458 31.205 29.762 -0.026 0.000 1.461 307 H HN 0.522 nan 8.280 nan 0.000 0.488 308 A N 3.351 126.239 122.820 0.112 0.000 2.235 308 A HA 0.003 4.323 4.320 -0.000 0.000 0.208 308 A C 2.337 180.077 177.584 0.260 0.000 1.172 308 A CA 0.821 53.003 52.037 0.241 0.000 0.786 308 A CB -0.310 18.669 19.000 -0.034 0.000 0.804 308 A HN 0.785 nan 8.150 nan 0.000 0.479 309 G N -0.917 107.975 108.800 0.153 0.000 2.598 309 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.215 309 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.215 309 G C 1.409 176.308 174.900 -0.000 0.000 1.131 309 G CA 0.937 46.123 45.100 0.143 0.000 0.785 309 G HN 0.462 nan 8.290 nan 0.000 0.539 310 S N 0.236 115.744 115.700 -0.319 0.000 2.507 310 S HA 0.050 4.520 4.470 -0.000 0.000 0.235 310 S C 0.898 175.186 174.600 -0.519 0.000 0.988 310 S CA 0.400 58.275 58.200 -0.543 0.000 0.944 310 S CB -0.243 62.435 63.200 -0.869 0.000 0.762 310 S HN 0.474 nan 8.310 nan 0.000 0.526 311 F N 0.058 120.177 119.950 0.281 0.000 2.708 311 F HA 0.302 4.829 4.527 -0.000 0.000 0.300 311 F C 0.785 176.764 175.800 0.298 0.000 1.118 311 F CA -0.748 57.414 58.000 0.270 0.000 1.307 311 F CB -0.027 39.039 39.000 0.110 0.000 0.986 311 F HN 0.167 nan 8.300 nan 0.000 0.522 312 H N 4.895 124.150 119.070 0.309 0.000 2.803 312 H HA 0.090 4.646 4.556 -0.000 0.000 0.330 312 H C -1.566 173.955 175.328 0.323 0.000 1.057 312 H CA -1.723 54.483 56.048 0.263 0.000 1.458 312 H CB 1.701 31.572 29.762 0.181 0.000 1.470 312 H HN -0.028 nan 8.280 nan 0.000 0.560 313 P HA -0.196 nan 4.420 nan 0.000 0.222 313 P C 1.341 178.844 177.300 0.339 0.000 1.142 313 P CA 0.952 64.206 63.100 0.258 0.000 0.788 313 P CB -0.239 31.510 31.700 0.083 0.000 0.767 314 F N 0.377 120.580 119.950 0.422 0.000 2.558 314 F HA 0.052 4.579 4.527 -0.000 0.000 0.298 314 F C 1.787 177.593 175.800 0.011 0.000 1.119 314 F CA 0.722 58.831 58.000 0.182 0.000 1.451 314 F CB -0.293 38.769 39.000 0.103 0.000 1.091 314 F HN -0.268 nan 8.300 nan 0.000 0.563 315 L N -0.572 120.625 121.223 -0.044 0.000 2.592 315 L HA 0.081 4.420 4.340 -0.000 0.000 0.227 315 L C 1.236 177.615 176.870 -0.819 0.000 1.127 315 L CA -0.009 54.575 54.840 -0.426 0.000 0.884 315 L CB -0.327 41.489 42.059 -0.406 0.000 1.065 315 L HN 0.237 nan 8.230 nan 0.000 0.457 316 H N -1.881 117.187 119.070 -0.003 0.000 2.984 316 H HA 0.109 4.665 4.556 -0.000 0.000 0.137 316 H C 1.011 176.323 175.328 -0.026 0.000 1.110 316 H CA 0.165 56.218 56.048 0.008 0.000 1.070 316 H CB -0.269 29.533 29.762 0.067 0.000 1.019 316 H HN -0.008 nan 8.280 nan 0.000 0.291 317 D N 1.474 121.965 120.400 0.150 0.000 2.149 317 D HA -0.131 4.509 4.640 -0.000 0.000 0.194 317 D C 2.110 178.401 176.300 -0.015 0.000 1.001 317 D CA 1.620 55.660 54.000 0.066 0.000 0.849 317 D CB -0.026 40.824 40.800 0.084 0.000 0.939 317 D HN 0.056 nan 8.370 nan 0.000 0.449 318 V N 0.194 120.060 119.914 -0.079 0.000 2.278 318 V HA -0.135 3.985 4.120 -0.000 0.000 0.238 318 V C 2.620 178.551 176.094 -0.271 0.000 1.039 318 V CA 1.964 64.156 62.300 -0.179 0.000 1.017 318 V CB -1.021 30.640 31.823 -0.271 0.000 0.657 318 V HN 0.370 nan 8.190 nan 0.000 0.462 319 T N -1.605 112.692 114.554 -0.430 0.000 2.985 319 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 319 T C 1.227 175.801 174.700 -0.210 0.000 1.076 319 T CA 0.835 62.721 62.100 -0.358 0.000 1.135 319 T CB 0.010 68.598 68.868 -0.467 0.000 0.890 319 T HN 0.311 nan 8.240 nan 0.000 0.480 320 R N 1.715 122.118 120.500 -0.161 0.000 2.754 320 R HA 0.261 4.601 4.340 -0.000 0.000 0.255 320 R C -2.768 173.480 176.300 -0.087 0.000 1.723 320 R CA -1.557 54.478 56.100 -0.109 0.000 1.596 320 R CB 1.294 31.579 30.300 -0.024 0.000 1.424 320 R HN 0.119 nan 8.270 nan 0.000 0.662 321 P HA -0.093 nan 4.420 nan 0.000 0.272 321 P C -0.776 176.447 177.300 -0.127 0.000 1.542 321 P CA 0.315 63.353 63.100 -0.104 0.000 0.846 321 P CB -0.217 31.421 31.700 -0.103 0.000 1.782 322 H N 0.889 119.977 119.070 0.030 0.000 2.800 322 H HA 0.123 4.679 4.556 -0.000 0.000 0.291 322 H C -1.322 174.025 175.328 0.031 0.000 1.076 322 H CA -1.675 54.388 56.048 0.026 0.000 1.452 322 H CB 0.739 30.517 29.762 0.027 0.000 1.461 322 H HN 0.061 nan 8.280 nan 0.000 0.488 323 P HA -0.245 nan 4.420 nan 0.000 0.218 323 P C 1.602 178.946 177.300 0.073 0.000 1.165 323 P CA 2.745 65.894 63.100 0.081 0.000 0.922 323 P CB 0.151 31.892 31.700 0.068 0.000 0.794 324 T N -3.660 110.940 114.554 0.075 0.000 2.951 324 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 324 T C 1.943 176.672 174.700 0.048 0.000 1.073 324 T CA 0.935 63.063 62.100 0.047 0.000 1.134 324 T CB -0.829 68.056 68.868 0.029 0.000 0.884 324 T HN 0.187 nan 8.240 nan 0.000 0.479 325 Q N 0.696 120.548 119.800 0.088 0.000 2.084 325 Q HA -0.033 4.306 4.340 -0.000 0.000 0.202 325 Q C 2.306 178.326 176.000 0.032 0.000 0.978 325 Q CA 1.329 57.187 55.803 0.091 0.000 0.844 325 Q CB -0.335 28.519 28.738 0.194 0.000 0.898 325 Q HN 0.614 nan 8.270 nan 0.000 0.426 326 I N 0.813 121.425 120.570 0.070 0.000 2.208 326 I HA -0.287 3.882 4.170 -0.000 0.000 0.245 326 I C 2.503 178.616 176.117 -0.006 0.000 1.097 326 I CA 1.546 62.871 61.300 0.043 0.000 1.363 326 I CB -0.309 37.734 38.000 0.071 0.000 1.051 326 I HN 0.408 nan 8.210 nan 0.000 0.413 327 E N 0.713 120.916 120.200 0.006 0.000 2.110 327 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 327 E C 2.254 178.838 176.600 -0.026 0.000 0.988 327 E CA 1.396 57.791 56.400 -0.007 0.000 0.804 327 E CB 0.188 29.888 29.700 0.001 0.000 0.745 327 E HN 0.287 nan 8.360 nan 0.000 0.458 328 V N 1.249 121.147 119.914 -0.027 0.000 2.323 328 V HA -0.204 3.916 4.120 -0.000 0.000 0.244 328 V C 2.525 178.578 176.094 -0.069 0.000 1.041 328 V CA 1.676 63.958 62.300 -0.032 0.000 1.025 328 V CB -0.792 31.035 31.823 0.006 0.000 0.656 328 V HN 0.446 nan 8.190 nan 0.000 0.451 329 A N 0.654 123.399 122.820 -0.125 0.000 1.917 329 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 329 A C 2.395 179.942 177.584 -0.061 0.000 1.182 329 A CA 2.190 54.142 52.037 -0.142 0.000 0.633 329 A CB -1.301 17.337 19.000 -0.603 0.000 0.819 329 A HN 0.539 nan 8.150 nan 0.000 0.448 330 G N 0.116 108.883 108.800 -0.056 0.000 2.480 330 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 330 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 330 G C 1.405 176.275 174.900 -0.049 0.000 1.200 330 G CA 1.065 46.148 45.100 -0.028 0.000 0.782 330 G HN 0.553 nan 8.290 nan 0.000 0.554 331 N N 0.850 119.511 118.700 -0.064 0.000 2.061 331 N HA -0.098 4.642 4.740 -0.000 0.000 0.193 331 N C 2.221 177.660 175.510 -0.119 0.000 1.030 331 N CA 1.138 54.143 53.050 -0.075 0.000 0.856 331 N CB -0.350 38.096 38.487 -0.068 0.000 1.023 331 N HN 0.379 nan 8.380 nan 0.000 0.424 332 I N 0.722 121.172 120.570 -0.201 0.000 2.315 332 I HA -0.148 4.022 4.170 -0.000 0.000 0.248 332 I C 2.629 178.541 176.117 -0.341 0.000 1.117 332 I CA 0.596 61.671 61.300 -0.375 0.000 1.404 332 I CB -0.129 37.431 38.000 -0.733 0.000 1.071 332 I HN 0.100 nan 8.210 nan 0.000 0.419 333 R N 1.477 121.866 120.500 -0.184 0.000 2.092 333 R HA -0.192 4.148 4.340 -0.000 0.000 0.231 333 R C 2.280 178.583 176.300 0.005 0.000 1.119 333 R CA 1.413 57.508 56.100 -0.008 0.000 0.970 333 R CB -0.080 30.275 30.300 0.093 0.000 0.864 333 R HN 0.247 nan 8.270 nan 0.000 0.440 334 K N 0.583 120.969 120.400 -0.024 0.000 2.057 334 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 334 K C 2.093 178.690 176.600 -0.005 0.000 1.050 334 K CA 1.192 57.474 56.287 -0.009 0.000 0.935 334 K CB -0.049 32.438 32.500 -0.021 0.000 0.715 334 K HN 0.213 nan 8.250 nan 0.000 0.439 335 L N 0.698 121.901 121.223 -0.033 0.000 2.217 335 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 335 L C 1.955 178.837 176.870 0.019 0.000 1.107 335 L CA 0.217 55.047 54.840 -0.017 0.000 0.783 335 L CB -0.122 41.909 42.059 -0.046 0.000 0.919 335 L HN 0.168 nan 8.230 nan 0.000 0.442 336 L N -0.229 121.010 121.223 0.025 0.000 2.446 336 L HA 0.018 4.358 4.340 -0.000 0.000 0.219 336 L C 1.449 178.440 176.870 0.201 0.000 1.116 336 L CA 0.668 55.571 54.840 0.104 0.000 0.844 336 L CB -0.520 41.590 42.059 0.087 0.000 0.970 336 L HN 0.248 nan 8.230 nan 0.000 0.457 337 E N 0.020 120.307 120.200 0.145 0.000 2.366 337 E HA 0.236 4.586 4.350 -0.000 0.000 0.266 337 E C 0.887 177.533 176.600 0.077 0.000 1.015 337 E CA 0.795 57.270 56.400 0.125 0.000 0.906 337 E CB 0.263 30.005 29.700 0.069 0.000 0.979 337 E HN 0.324 nan 8.360 nan 0.000 0.443 338 G N 3.156 111.976 108.800 0.034 0.000 2.176 338 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.232 338 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.232 338 G C 0.242 175.177 174.900 0.058 0.000 0.986 338 G CA 0.225 45.332 45.100 0.011 0.000 0.643 338 G HN 0.783 nan 8.290 nan 0.000 0.522 339 S N -0.227 115.568 115.700 0.159 0.000 2.528 339 S HA 0.559 5.029 4.470 -0.000 0.000 0.277 339 S C 1.332 176.076 174.600 0.239 0.000 1.297 339 S CA 0.023 58.353 58.200 0.217 0.000 1.052 339 S CB 0.888 64.259 63.200 0.284 0.000 0.917 339 S HN 0.398 nan 8.310 nan 0.000 0.492 340 R N 2.759 123.345 120.500 0.144 0.000 2.334 340 R HA 0.202 4.542 4.340 -0.000 0.000 0.216 340 R C 0.354 176.734 176.300 0.134 0.000 0.905 340 R CA 0.218 56.385 56.100 0.113 0.000 1.064 340 R CB 0.074 30.428 30.300 0.091 0.000 1.046 340 R HN 0.623 nan 8.270 nan 0.000 0.508 341 F N 0.558 120.659 119.950 0.252 0.000 2.274 341 F HA 0.280 4.807 4.527 -0.000 0.000 0.288 341 F C 1.330 177.217 175.800 0.146 0.000 1.069 341 F CA -0.265 57.877 58.000 0.237 0.000 1.343 341 F CB -0.240 38.848 39.000 0.148 0.000 1.089 341 F HN -0.146 nan 8.300 nan 0.000 0.517 342 A N 0.759 123.766 122.820 0.310 0.000 2.354 342 A HA 0.510 4.830 4.320 -0.000 0.000 0.269 342 A C -0.314 177.269 177.584 -0.002 0.000 1.109 342 A CA -0.386 51.711 52.037 0.101 0.000 0.800 342 A CB 0.154 19.176 19.000 0.037 0.000 1.045 342 A HN -0.051 nan 8.150 nan 0.000 0.489 343 V N 2.688 122.557 119.914 -0.075 0.000 2.583 343 V HA 0.127 4.247 4.120 -0.000 0.000 0.287 343 V C 0.276 176.310 176.094 -0.100 0.000 1.051 343 V CA 0.217 62.506 62.300 -0.019 0.000 1.010 343 V CB 0.517 32.313 31.823 -0.045 0.000 0.988 343 V HN 0.950 nan 8.190 nan 0.000 0.478 344 H N 2.713 121.884 119.070 0.168 0.000 2.472 344 H HA 0.327 4.883 4.556 -0.000 0.000 0.287 344 H C 0.598 176.069 175.328 0.238 0.000 1.112 344 H CA -0.138 56.028 56.048 0.196 0.000 1.021 344 H CB -0.758 29.093 29.762 0.148 0.000 1.635 344 H HN 0.901 nan 8.280 nan 0.000 0.559 361 D N 1.445 121.931 120.400 0.143 0.000 2.198 361 D HA 0.292 4.932 4.640 -0.000 0.000 0.245 361 D C 0.161 176.535 176.300 0.123 0.000 1.079 361 D CA -0.154 53.928 54.000 0.137 0.000 0.854 361 D CB 0.931 41.826 40.800 0.159 0.000 1.148 361 D HN -0.041 nan 8.370 nan 0.000 0.456 362 R N 1.782 122.339 120.500 0.094 0.000 2.774 362 R HA 0.031 4.371 4.340 -0.000 0.000 0.269 362 R C 0.983 177.420 176.300 0.229 0.000 1.068 362 R CA -0.377 55.791 56.100 0.113 0.000 1.180 362 R CB 0.298 30.601 30.300 0.005 0.000 1.077 362 R HN 0.456 nan 8.270 nan 0.000 0.513 363 Y N 1.067 121.350 120.300 -0.029 0.000 2.102 363 Y HA -0.169 4.381 4.550 -0.000 0.000 0.280 363 Y C -0.631 175.235 175.900 -0.056 0.000 1.178 363 Y CA 1.240 59.320 58.100 -0.034 0.000 1.146 363 Y CB -1.932 36.498 38.460 -0.050 0.000 0.968 363 Y HN 0.568 nan 8.280 nan 0.000 0.504 364 P HA -0.206 nan 4.420 nan 0.000 0.216 364 P C 1.653 178.976 177.300 0.039 0.000 1.154 364 P CA 1.910 64.992 63.100 -0.029 0.000 0.865 364 P CB -0.100 31.560 31.700 -0.066 0.000 0.789 365 L N -2.089 119.187 121.223 0.088 0.000 2.185 365 L HA 0.110 4.450 4.340 -0.000 0.000 0.198 365 L C 2.691 179.666 176.870 0.175 0.000 1.079 365 L CA 0.616 55.551 54.840 0.159 0.000 0.780 365 L CB -0.616 41.535 42.059 0.153 0.000 0.955 365 L HN -0.278 nan 8.230 nan 0.000 0.462 366 R N 0.223 120.778 120.500 0.092 0.000 2.193 366 R HA -0.136 4.204 4.340 -0.000 0.000 0.229 366 R C 1.525 177.823 176.300 -0.004 0.000 1.110 366 R CA 1.758 57.856 56.100 -0.003 0.000 0.988 366 R CB -0.020 30.288 30.300 0.014 0.000 0.871 366 R HN 0.472 nan 8.270 nan 0.000 0.458 367 T N -2.795 111.778 114.554 0.032 0.000 3.174 367 T HA 0.090 4.440 4.350 -0.000 0.000 0.269 367 T C 1.372 176.171 174.700 0.165 0.000 1.017 367 T CA 0.197 62.320 62.100 0.038 0.000 0.899 367 T CB 0.610 69.428 68.868 -0.084 0.000 1.077 367 T HN 0.190 nan 8.240 nan 0.000 0.552 368 S N 2.262 118.082 115.700 0.200 0.000 2.382 368 S HA 0.004 4.474 4.470 -0.000 0.000 0.228 368 S C -0.714 174.047 174.600 0.269 0.000 1.027 368 S CA 0.727 59.074 58.200 0.245 0.000 0.991 368 S CB -1.606 61.735 63.200 0.236 0.000 0.823 368 S HN 0.420 nan 8.310 nan 0.000 0.469 369 P HA -0.066 nan 4.420 nan 0.000 0.217 369 P C 1.532 178.937 177.300 0.175 0.000 1.151 369 P CA 1.069 64.277 63.100 0.180 0.000 0.828 369 P CB -0.184 31.584 31.700 0.114 0.000 0.788 370 Q N -1.781 118.143 119.800 0.207 0.000 2.451 370 Q HA -0.097 4.243 4.340 -0.000 0.000 0.206 370 Q C 1.665 177.762 176.000 0.162 0.000 0.947 370 Q CA 0.772 56.670 55.803 0.158 0.000 0.937 370 Q CB -1.005 27.817 28.738 0.139 0.000 1.025 370 Q HN 0.489 nan 8.270 nan 0.000 0.511 371 W N 0.950 122.272 121.300 0.037 0.000 2.683 371 W HA 0.200 4.860 4.660 -0.000 0.000 0.267 371 W C 1.086 177.621 176.519 0.028 0.000 1.243 371 W CA 0.146 57.511 57.345 0.032 0.000 1.380 371 W CB 0.306 29.798 29.460 0.053 0.000 1.063 371 W HN 0.068 nan 8.180 nan 0.000 0.599 372 L N 0.281 121.647 121.223 0.239 0.000 2.416 372 L HA 0.146 4.486 4.340 -0.000 0.000 0.216 372 L C 2.668 179.557 176.870 0.032 0.000 1.098 372 L CA 0.809 55.730 54.840 0.136 0.000 0.840 372 L CB -1.163 40.995 42.059 0.165 0.000 0.981 372 L HN -0.082 nan 8.230 nan 0.000 0.462 373 G N 1.706 110.523 108.800 0.028 0.000 2.553 373 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 373 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 373 G C -0.719 174.147 174.900 -0.057 0.000 1.195 373 G CA 0.982 46.080 45.100 -0.005 0.000 0.779 373 G HN 0.280 nan 8.290 nan 0.000 0.577 374 P HA -0.050 nan 4.420 nan 0.000 0.215 374 P C 1.949 179.179 177.300 -0.116 0.000 1.153 374 P CA 0.643 63.652 63.100 -0.151 0.000 0.853 374 P CB -0.044 31.525 31.700 -0.218 0.000 0.788 375 L N -1.032 120.124 121.223 -0.112 0.000 2.012 375 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 375 L C 2.440 179.289 176.870 -0.035 0.000 1.073 375 L CA 1.747 56.541 54.840 -0.075 0.000 0.748 375 L CB -1.907 40.123 42.059 -0.049 0.000 0.891 375 L HN -0.110 nan 8.230 nan 0.000 0.431 376 V N -1.206 118.700 119.914 -0.013 0.000 2.407 376 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 376 V C 2.764 178.870 176.094 0.021 0.000 1.055 376 V CA 1.772 64.081 62.300 0.016 0.000 1.049 376 V CB -0.670 31.167 31.823 0.023 0.000 0.662 376 V HN 0.517 nan 8.190 nan 0.000 0.455 377 S N -0.308 115.393 115.700 0.002 0.000 2.368 377 S HA -0.229 4.241 4.470 -0.000 0.000 0.225 377 S C 1.769 176.385 174.600 0.026 0.000 1.030 377 S CA 1.804 60.014 58.200 0.016 0.000 0.999 377 S CB -0.414 62.781 63.200 -0.008 0.000 0.844 377 S HN 0.646 nan 8.310 nan 0.000 0.459 378 D N 1.257 121.646 120.400 -0.017 0.000 2.117 378 D HA -0.036 4.604 4.640 -0.000 0.000 0.197 378 D C 1.983 178.302 176.300 0.031 0.000 0.987 378 D CA 0.848 54.833 54.000 -0.026 0.000 0.829 378 D CB -0.432 40.324 40.800 -0.073 0.000 0.961 378 D HN 0.382 nan 8.370 nan 0.000 0.460 379 L N 0.428 121.661 121.223 0.016 0.000 2.017 379 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 379 L C 2.523 179.466 176.870 0.123 0.000 1.073 379 L CA 0.792 55.638 54.840 0.011 0.000 0.745 379 L CB -0.289 41.747 42.059 -0.037 0.000 0.894 379 L HN 0.032 nan 8.230 nan 0.000 0.432 380 I N -1.130 119.523 120.570 0.139 0.000 2.226 380 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 380 I C 2.696 178.883 176.117 0.116 0.000 1.100 380 I CA 1.145 62.530 61.300 0.142 0.000 1.374 380 I CB -0.600 37.446 38.000 0.076 0.000 1.057 380 I HN 0.394 nan 8.210 nan 0.000 0.413 381 H N 1.707 120.767 119.070 -0.017 0.000 2.353 381 H HA -0.132 4.424 4.556 -0.000 0.000 0.300 381 H C 2.160 177.409 175.328 -0.131 0.000 1.090 381 H CA 1.840 57.815 56.048 -0.122 0.000 1.327 381 H CB 0.169 29.853 29.762 -0.130 0.000 1.383 381 H HN 0.314 nan 8.280 nan 0.000 0.508 382 A N 0.227 123.127 122.820 0.134 0.000 1.902 382 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 382 A C 2.274 179.873 177.584 0.025 0.000 1.181 382 A CA 1.814 53.897 52.037 0.077 0.000 0.623 382 A CB -1.078 17.955 19.000 0.056 0.000 0.818 382 A HN 0.631 nan 8.150 nan 0.000 0.443 383 H N -0.126 118.950 119.070 0.011 0.000 2.352 383 H HA -0.044 4.512 4.556 -0.000 0.000 0.299 383 H C 2.288 177.604 175.328 -0.019 0.000 1.097 383 H CA 2.038 58.117 56.048 0.051 0.000 1.311 383 H CB -0.198 29.639 29.762 0.124 0.000 1.377 383 H HN 0.438 nan 8.280 nan 0.000 0.504 384 A N -0.266 122.548 122.820 -0.010 0.000 1.865 384 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 384 A C 2.703 180.248 177.584 -0.066 0.000 1.191 384 A CA 1.923 53.930 52.037 -0.051 0.000 0.623 384 A CB -1.060 17.852 19.000 -0.146 0.000 0.826 384 A HN 0.312 nan 8.150 nan 0.000 0.444 385 V N -0.375 119.435 119.914 -0.173 0.000 2.287 385 V HA -0.250 3.869 4.120 -0.000 0.000 0.248 385 V C 2.510 178.573 176.094 -0.051 0.000 1.053 385 V CA 2.019 64.272 62.300 -0.077 0.000 1.027 385 V CB -0.763 31.011 31.823 -0.082 0.000 0.646 385 V HN 0.484 nan 8.190 nan 0.000 0.447 386 L N 0.646 121.819 121.223 -0.083 0.000 2.141 386 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 386 L C 2.807 179.611 176.870 -0.111 0.000 1.094 386 L CA 2.550 57.335 54.840 -0.091 0.000 0.763 386 L CB -1.344 40.650 42.059 -0.109 0.000 0.908 386 L HN 0.682 nan 8.230 nan 0.000 0.437 387 T N -3.366 111.100 114.554 -0.146 0.000 2.777 387 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 387 T C 2.016 176.680 174.700 -0.059 0.000 1.040 387 T CA 1.256 63.287 62.100 -0.116 0.000 1.141 387 T CB -0.567 68.239 68.868 -0.104 0.000 0.868 387 T HN 0.239 nan 8.240 nan 0.000 0.444 388 I N 1.275 121.823 120.570 -0.036 0.000 2.252 388 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 388 I C 2.914 179.007 176.117 -0.040 0.000 1.102 388 I CA 1.692 62.978 61.300 -0.024 0.000 1.385 388 I CB -0.369 37.631 38.000 0.001 0.000 1.064 388 I HN 0.299 nan 8.210 nan 0.000 0.414 389 E N 1.494 121.671 120.200 -0.038 0.000 2.028 389 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 389 E C 2.029 178.601 176.600 -0.046 0.000 0.988 389 E CA 1.813 58.191 56.400 -0.037 0.000 0.799 389 E CB -0.140 29.544 29.700 -0.027 0.000 0.755 389 E HN 0.387 nan 8.360 nan 0.000 0.447 390 A N -0.929 121.860 122.820 -0.052 0.000 2.169 390 A HA 0.253 4.573 4.320 -0.000 0.000 0.212 390 A C 2.000 179.547 177.584 -0.060 0.000 1.153 390 A CA 1.066 53.072 52.037 -0.051 0.000 0.756 390 A CB -0.121 18.851 19.000 -0.047 0.000 0.813 390 A HN 0.363 nan 8.150 nan 0.000 0.471 391 G N -1.687 107.071 108.800 -0.069 0.000 2.815 391 G HA2 0.241 4.201 3.960 -0.000 0.000 0.215 391 G HA3 0.241 4.201 3.960 -0.000 0.000 0.215 391 G C 0.947 175.769 174.900 -0.130 0.000 1.054 391 G CA 0.230 45.284 45.100 -0.077 0.000 0.832 391 G HN 0.478 nan 8.290 nan 0.000 0.557 392 Q N 0.274 119.994 119.800 -0.135 0.000 2.118 392 Q HA 0.358 4.698 4.340 -0.000 0.000 0.219 392 Q C -0.393 175.486 176.000 -0.201 0.000 0.794 392 Q CA -0.058 55.619 55.803 -0.210 0.000 1.035 392 Q CB 1.609 30.293 28.738 -0.090 0.000 1.177 392 Q HN 0.185 nan 8.270 nan 0.000 0.478 393 S N 0.237 115.849 115.700 -0.147 0.000 2.536 393 S HA 0.527 4.997 4.470 -0.000 0.000 0.298 393 S C -0.463 174.093 174.600 -0.074 0.000 1.083 393 S CA -0.554 57.590 58.200 -0.095 0.000 0.995 393 S CB 2.016 65.182 63.200 -0.057 0.000 1.058 393 S HN -0.051 nan 8.310 nan 0.000 0.488 394 T N 2.133 116.672 114.554 -0.025 0.000 2.788 394 T HA 0.358 4.708 4.350 -0.000 0.000 0.296 394 T C 0.624 175.336 174.700 0.020 0.000 1.009 394 T CA -0.592 61.521 62.100 0.022 0.000 0.949 394 T CB 0.636 69.587 68.868 0.138 0.000 0.946 394 T HN 0.683 nan 8.240 nan 0.000 0.453 395 T N -0.121 114.450 114.554 0.028 0.000 3.260 395 T HA 0.323 4.673 4.350 -0.000 0.000 0.254 395 T C -0.084 174.683 174.700 0.113 0.000 0.951 395 T CA -0.692 61.437 62.100 0.048 0.000 0.918 395 T CB -0.174 68.724 68.868 0.050 0.000 1.098 395 T HN 0.262 nan 8.240 nan 0.000 0.563 396 D N 1.803 122.268 120.400 0.108 0.000 2.549 396 D HA 0.651 5.291 4.640 -0.000 0.000 0.270 396 D C -0.274 176.145 176.300 0.198 0.000 1.181 396 D CA -0.498 53.593 54.000 0.152 0.000 1.070 396 D CB 0.742 41.607 40.800 0.109 0.000 1.154 396 D HN 0.379 nan 8.370 nan 0.000 0.602 397 N N -0.981 117.850 118.700 0.218 0.000 2.666 397 N HA 0.312 5.052 4.740 -0.000 0.000 0.260 397 N C -3.066 172.566 175.510 0.203 0.000 1.077 397 N CA -0.931 52.267 53.050 0.247 0.000 1.026 397 N CB 1.571 40.341 38.487 0.472 0.000 1.653 397 N HN -0.030 nan 8.380 nan 0.000 0.533 398 P HA 0.387 nan 4.420 nan 0.000 0.277 398 P C -0.873 176.464 177.300 0.061 0.000 1.271 398 P CA -0.402 62.764 63.100 0.109 0.000 0.795 398 P CB 0.747 32.459 31.700 0.019 0.000 1.101 399 L N 0.939 122.167 121.223 0.009 0.000 2.333 399 L HA 0.437 4.777 4.340 -0.000 0.000 0.280 399 L C -0.292 176.566 176.870 -0.020 0.000 1.004 399 L CA -0.943 53.892 54.840 -0.008 0.000 0.820 399 L CB 1.153 43.166 42.059 -0.076 0.000 1.247 399 L HN 0.149 nan 8.230 nan 0.000 0.416 400 I N 2.406 122.962 120.570 -0.022 0.000 2.395 400 I HA 0.104 4.274 4.170 -0.000 0.000 0.289 400 I C 0.272 176.297 176.117 -0.155 0.000 1.023 400 I CA 0.143 61.389 61.300 -0.090 0.000 1.350 400 I CB 1.215 39.168 38.000 -0.079 0.000 1.409 400 I HN 0.598 nan 8.210 nan 0.000 0.507 401 D N 6.606 126.891 120.400 -0.190 0.000 2.781 401 D HA 0.110 4.750 4.640 -0.000 0.000 0.254 401 D C 1.422 177.559 176.300 -0.272 0.000 1.213 401 D CA -0.330 53.580 54.000 -0.150 0.000 0.994 401 D CB 0.531 41.344 40.800 0.023 0.000 1.019 401 D HN 0.378 nan 8.370 nan 0.000 0.514 402 V N 0.906 120.636 119.914 -0.308 0.000 2.311 402 V HA -0.269 3.851 4.120 -0.000 0.000 0.256 402 V C 1.172 177.153 176.094 -0.188 0.000 1.077 402 V CA 1.586 63.680 62.300 -0.344 0.000 1.067 402 V CB -0.807 30.928 31.823 -0.146 0.000 0.659 402 V HN 0.333 nan 8.190 nan 0.000 0.451 403 E N 0.852 120.993 120.200 -0.097 0.000 2.296 403 E HA 0.156 4.506 4.350 -0.000 0.000 0.196 403 E C 0.382 176.960 176.600 -0.037 0.000 1.143 403 E CA 0.168 56.541 56.400 -0.046 0.000 1.145 403 E CB -0.232 29.455 29.700 -0.021 0.000 1.215 403 E HN 0.726 nan 8.360 nan 0.000 0.447 404 N N 0.186 118.849 118.700 -0.061 0.000 1.899 404 N HA 0.015 4.755 4.740 -0.000 0.000 0.223 404 N C -0.374 175.125 175.510 -0.018 0.000 1.411 404 N CA 0.091 53.126 53.050 -0.025 0.000 0.737 404 N CB 0.706 39.188 38.487 -0.008 0.000 1.100 404 N HN -0.001 nan 8.380 nan 0.000 0.527 405 K N 0.425 120.780 120.400 -0.074 0.000 3.407 405 K HA -0.163 4.157 4.320 -0.000 0.000 0.312 405 K C 0.092 176.763 176.600 0.119 0.000 1.302 405 K CA 1.452 57.793 56.287 0.091 0.000 0.931 405 K CB -1.917 30.729 32.500 0.243 0.000 1.257 405 K HN 0.467 nan 8.250 nan 0.000 0.454 406 T N -3.052 111.444 114.554 -0.097 0.000 2.952 406 T HA 0.595 4.945 4.350 -0.000 0.000 0.286 406 T C -0.281 174.301 174.700 -0.197 0.000 1.024 406 T CA -0.511 61.525 62.100 -0.108 0.000 1.029 406 T CB 2.221 70.944 68.868 -0.241 0.000 1.094 406 T HN 0.066 nan 8.240 nan 0.000 0.515 407 S N 0.382 115.939 115.700 -0.238 0.000 2.561 407 S HA 0.525 4.995 4.470 -0.000 0.000 0.303 407 S C -1.532 172.785 174.600 -0.471 0.000 1.110 407 S CA -0.712 57.359 58.200 -0.215 0.000 1.034 407 S CB 0.122 63.294 63.200 -0.047 0.000 1.010 407 S HN 0.809 nan 8.310 nan 0.000 0.482 408 H N 2.645 121.554 119.070 -0.268 0.000 2.499 408 H HA 0.479 5.035 4.556 -0.000 0.000 0.340 408 H C -0.454 174.647 175.328 -0.379 0.000 1.148 408 H CA -0.630 55.250 56.048 -0.280 0.000 1.215 408 H CB 0.764 30.434 29.762 -0.154 0.000 1.529 408 H HN 0.533 nan 8.280 nan 0.000 0.510 409 H N 1.947 121.093 119.070 0.126 0.000 2.673 409 H HA 0.400 4.956 4.556 -0.000 0.000 0.293 409 H C 0.345 175.711 175.328 0.064 0.000 1.065 409 H CA -0.363 55.741 56.048 0.092 0.000 1.236 409 H CB 0.996 30.803 29.762 0.074 0.000 1.389 409 H HN 0.902 nan 8.280 nan 0.000 0.481 410 G N 0.692 109.559 108.800 0.111 0.000 3.257 410 G HA2 0.476 4.436 3.960 -0.000 0.000 0.205 410 G HA3 0.476 4.436 3.960 -0.000 0.000 0.205 410 G C -0.100 174.707 174.900 -0.155 0.000 1.234 410 G CA -0.541 44.553 45.100 -0.011 0.000 0.918 410 G HN 0.501 nan 8.290 nan 0.000 0.602 411 G N -0.131 108.451 108.800 -0.363 0.000 4.885 411 G HA2 0.266 4.226 3.960 -0.000 0.000 0.263 411 G HA3 0.266 4.226 3.960 -0.000 0.000 0.263 411 G C 0.113 174.498 174.900 -0.858 0.000 1.168 411 G CA -0.265 44.285 45.100 -0.917 0.000 0.906 411 G HN 0.260 nan 8.290 nan 0.000 0.575 412 N N 0.774 119.139 118.700 -0.558 0.000 2.571 412 N HA -0.023 4.717 4.740 -0.000 0.000 0.189 412 N C 1.478 176.871 175.510 -0.194 0.000 1.154 412 N CA 0.244 53.124 53.050 -0.285 0.000 0.907 412 N CB -0.140 38.267 38.487 -0.134 0.000 0.977 412 N HN 0.636 nan 8.380 nan 0.000 0.449 413 F N -0.334 119.625 119.950 0.015 0.000 2.789 413 F HA 0.280 4.807 4.527 -0.000 0.000 0.300 413 F C 0.893 176.701 175.800 0.013 0.000 1.132 413 F CA -0.668 57.341 58.000 0.015 0.000 1.404 413 F CB -0.761 38.251 39.000 0.021 0.000 1.114 413 F HN -0.217 nan 8.300 nan 0.000 0.584 414 Q N 2.314 122.131 119.800 0.028 0.000 2.513 414 Q HA 0.427 4.767 4.340 -0.000 0.000 0.227 414 Q C 0.812 176.840 176.000 0.046 0.000 1.257 414 Q CA 0.002 55.859 55.803 0.091 0.000 0.915 414 Q CB 0.512 29.235 28.738 -0.025 0.000 1.507 414 Q HN 0.378 nan 8.270 nan 0.000 0.543 415 A N 3.490 126.356 122.820 0.077 0.000 2.142 415 A HA 0.125 4.445 4.320 -0.000 0.000 0.208 415 A C 1.681 179.283 177.584 0.031 0.000 1.344 415 A CA 0.804 52.869 52.037 0.046 0.000 1.045 415 A CB -0.773 18.257 19.000 0.051 0.000 0.784 415 A HN 0.840 nan 8.150 nan 0.000 0.509 416 A N -0.077 122.758 122.820 0.026 0.000 1.986 416 A HA 0.049 4.369 4.320 -0.000 0.000 0.220 416 A C 2.418 180.014 177.584 0.020 0.000 1.171 416 A CA 1.938 53.987 52.037 0.021 0.000 0.640 416 A CB -0.675 18.334 19.000 0.015 0.000 0.811 416 A HN 1.144 nan 8.150 nan 0.000 0.451 417 A N -0.584 122.248 122.820 0.020 0.000 1.898 417 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 417 A C 2.372 179.969 177.584 0.023 0.000 1.181 417 A CA 1.880 53.933 52.037 0.027 0.000 0.620 417 A CB -1.001 18.014 19.000 0.025 0.000 0.819 417 A HN 1.120 nan 8.150 nan 0.000 0.442 418 V N -0.822 119.101 119.914 0.015 0.000 2.488 418 V HA 0.039 4.159 4.120 -0.000 0.000 0.246 418 V C 2.503 178.603 176.094 0.010 0.000 1.046 418 V CA 2.008 64.314 62.300 0.009 0.000 1.053 418 V CB -0.702 31.124 31.823 0.006 0.000 0.679 418 V HN 0.543 nan 8.190 nan 0.000 0.458 419 A N 0.547 123.375 122.820 0.014 0.000 1.933 419 A HA -0.248 4.071 4.320 -0.000 0.000 0.218 419 A C 2.250 179.839 177.584 0.007 0.000 1.175 419 A CA 2.015 54.059 52.037 0.012 0.000 0.628 419 A CB -1.014 17.996 19.000 0.016 0.000 0.814 419 A HN 0.708 nan 8.150 nan 0.000 0.444 420 N N 0.114 118.820 118.700 0.010 0.000 2.244 420 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 420 N C 1.085 176.597 175.510 0.003 0.000 1.016 420 N CA 1.502 54.555 53.050 0.005 0.000 0.866 420 N CB -0.245 38.251 38.487 0.015 0.000 0.980 420 N HN 0.600 nan 8.380 nan 0.000 0.430 424 K N 1.158 121.537 120.400 -0.035 0.000 2.044 424 K HA -0.077 4.243 4.320 -0.000 0.000 0.210 424 K C 2.055 178.629 176.600 -0.044 0.000 1.049 424 K CA 2.145 58.403 56.287 -0.049 0.000 0.927 424 K CB -0.252 32.211 32.500 -0.060 0.000 0.713 424 K HN 0.044 nan 8.250 nan 0.000 0.443 425 T N 0.717 115.249 114.554 -0.037 0.000 2.788 425 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 425 T C 1.858 176.543 174.700 -0.026 0.000 1.044 425 T CA 1.333 63.410 62.100 -0.038 0.000 1.139 425 T CB -0.140 68.703 68.868 -0.042 0.000 0.867 425 T HN 0.264 nan 8.240 nan 0.000 0.454 426 R N 0.172 120.660 120.500 -0.020 0.000 2.096 426 R HA -0.020 4.320 4.340 -0.000 0.000 0.235 426 R C 2.283 178.578 176.300 -0.007 0.000 1.127 426 R CA 0.965 57.059 56.100 -0.011 0.000 0.968 426 R CB -0.361 29.931 30.300 -0.012 0.000 0.861 426 R HN 0.266 nan 8.270 nan 0.000 0.440 427 L N -0.038 121.174 121.223 -0.019 0.000 2.072 427 L HA 0.109 4.449 4.340 -0.000 0.000 0.205 427 L C 2.060 178.921 176.870 -0.015 0.000 1.079 427 L CA 2.150 56.979 54.840 -0.019 0.000 0.752 427 L CB -0.930 41.105 42.059 -0.039 0.000 0.906 427 L HN 0.234 nan 8.230 nan 0.000 0.436 428 G N -0.143 108.640 108.800 -0.028 0.000 2.446 428 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 428 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 428 G C 1.625 176.538 174.900 0.021 0.000 1.168 428 G CA 1.170 46.256 45.100 -0.024 0.000 0.771 428 G HN 0.427 nan 8.290 nan 0.000 0.551 429 L N 0.714 121.951 121.223 0.023 0.000 2.081 429 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 429 L C 3.393 180.310 176.870 0.079 0.000 1.080 429 L CA 1.108 55.977 54.840 0.048 0.000 0.754 429 L CB -0.353 41.725 42.059 0.032 0.000 0.893 429 L HN 0.333 nan 8.230 nan 0.000 0.433 430 A N -0.669 122.193 122.820 0.070 0.000 1.930 430 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 430 A C 2.192 179.870 177.584 0.157 0.000 1.175 430 A CA 1.253 53.347 52.037 0.095 0.000 0.627 430 A CB -0.316 18.725 19.000 0.069 0.000 0.815 430 A HN 0.508 nan 8.150 nan 0.000 0.443 431 Q N -0.643 119.252 119.800 0.159 0.000 2.245 431 Q HA 0.054 4.394 4.340 -0.000 0.000 0.201 431 Q C 1.883 178.153 176.000 0.451 0.000 0.955 431 Q CA 0.881 56.864 55.803 0.299 0.000 0.870 431 Q CB -0.160 28.614 28.738 0.060 0.000 0.945 431 Q HN 0.712 nan 8.270 nan 0.000 0.461 432 I N 0.491 121.225 120.570 0.274 0.000 2.233 432 I HA -0.148 4.022 4.170 -0.000 0.000 0.243 432 I C 2.359 178.623 176.117 0.244 0.000 1.093 432 I CA 1.059 62.517 61.300 0.264 0.000 1.380 432 I CB -0.696 37.405 38.000 0.167 0.000 1.067 432 I HN 0.253 nan 8.210 nan 0.000 0.413 433 G N 1.255 110.179 108.800 0.208 0.000 2.476 433 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.218 433 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.218 433 G C 1.659 176.697 174.900 0.229 0.000 1.164 433 G CA 1.352 46.572 45.100 0.200 0.000 0.768 433 G HN 0.214 nan 8.290 nan 0.000 0.560 434 K N 0.026 120.569 120.400 0.237 0.000 2.057 434 K HA -0.013 4.307 4.320 -0.000 0.000 0.207 434 K C 2.319 178.989 176.600 0.118 0.000 1.049 434 K CA 1.092 57.514 56.287 0.225 0.000 0.931 434 K CB -0.636 32.023 32.500 0.265 0.000 0.714 434 K HN 0.270 nan 8.250 nan 0.000 0.440 435 L N 1.291 122.541 121.223 0.044 0.000 1.976 435 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 435 L C 1.627 178.496 176.870 -0.003 0.000 1.071 435 L CA 1.913 56.666 54.840 -0.145 0.000 0.746 435 L CB -0.865 41.121 42.059 -0.122 0.000 0.890 435 L HN 0.298 nan 8.230 nan 0.000 0.432 436 N N -0.880 117.894 118.700 0.123 0.000 2.205 436 N HA -0.240 4.500 4.740 -0.000 0.000 0.186 436 N C 1.882 177.417 175.510 0.042 0.000 1.015 436 N CA 1.696 54.855 53.050 0.182 0.000 0.862 436 N CB -0.407 38.272 38.487 0.320 0.000 0.986 436 N HN 0.428 nan 8.380 nan 0.000 0.429 437 F N 2.540 122.475 119.950 -0.024 0.000 2.146 437 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 437 F C 2.580 178.311 175.800 -0.115 0.000 1.096 437 F CA 1.662 59.620 58.000 -0.071 0.000 1.275 437 F CB -0.840 38.146 39.000 -0.023 0.000 1.008 437 F HN 0.009 nan 8.300 nan 0.000 0.480 438 T N -1.843 112.511 114.554 -0.333 0.000 2.867 438 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 438 T C 1.815 176.305 174.700 -0.351 0.000 1.057 438 T CA 1.480 63.334 62.100 -0.409 0.000 1.136 438 T CB -0.586 68.156 68.868 -0.209 0.000 0.874 438 T HN 0.461 nan 8.240 nan 0.000 0.466 439 Q N 0.172 119.817 119.800 -0.260 0.000 2.016 439 Q HA 0.075 4.415 4.340 -0.000 0.000 0.200 439 Q C 2.290 178.106 176.000 -0.306 0.000 0.978 439 Q CA 1.279 56.969 55.803 -0.189 0.000 0.833 439 Q CB -0.339 28.383 28.738 -0.026 0.000 0.895 439 Q HN 0.408 nan 8.270 nan 0.000 0.427 440 L N 0.232 121.142 121.223 -0.523 0.000 1.989 440 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 440 L C 2.350 178.988 176.870 -0.387 0.000 1.071 440 L CA 2.229 56.743 54.840 -0.543 0.000 0.749 440 L CB -1.083 40.605 42.059 -0.620 0.000 0.890 440 L HN 0.163 nan 8.230 nan 0.000 0.431 441 T N -0.723 113.517 114.554 -0.523 0.000 2.788 441 T HA -0.117 4.232 4.350 -0.000 0.000 0.268 441 T C 0.901 175.431 174.700 -0.284 0.000 1.044 441 T CA 0.829 62.666 62.100 -0.439 0.000 1.139 441 T CB -0.243 68.215 68.868 -0.684 0.000 0.867 441 T HN 0.496 nan 8.240 nan 0.000 0.454 445 N N 1.903 120.551 118.700 -0.086 0.000 2.406 445 N HA 0.323 5.063 4.740 -0.000 0.000 0.251 445 N C 0.961 176.433 175.510 -0.064 0.000 1.069 445 N CA 0.746 53.754 53.050 -0.070 0.000 0.947 445 N CB 2.015 40.452 38.487 -0.084 0.000 1.111 445 N HN 0.242 nan 8.380 nan 0.000 0.497 446 A N 3.176 125.966 122.820 -0.049 0.000 2.024 446 A HA 0.015 4.335 4.320 -0.000 0.000 0.220 446 A C 1.200 178.747 177.584 -0.062 0.000 1.164 446 A CA 1.345 53.349 52.037 -0.055 0.000 0.643 446 A CB -0.617 18.359 19.000 -0.041 0.000 0.806 446 A HN 0.627 nan 8.150 nan 0.000 0.451 450 R N 1.061 121.518 120.500 -0.071 0.000 3.267 450 R HA -0.092 4.248 4.340 -0.000 0.000 0.254 450 R C 1.077 177.335 176.300 -0.070 0.000 0.993 450 R CA 1.826 57.889 56.100 -0.062 0.000 0.670 450 R CB -1.788 28.480 30.300 -0.053 0.000 1.125 450 R HN 1.105 nan 8.270 nan 0.000 0.434 451 G N -1.359 107.390 108.800 -0.085 0.000 2.397 451 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.211 451 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.211 451 G C 0.306 175.136 174.900 -0.117 0.000 1.077 451 G CA -0.187 44.853 45.100 -0.100 0.000 0.649 451 G HN 0.335 nan 8.290 nan 0.000 0.511 452 L N 3.637 124.788 121.223 -0.120 0.000 2.581 452 L HA 0.146 4.486 4.340 -0.000 0.000 0.299 452 L C -1.126 175.676 176.870 -0.112 0.000 1.261 452 L CA -0.612 54.150 54.840 -0.129 0.000 0.866 452 L CB -0.114 41.866 42.059 -0.131 0.000 1.113 452 L HN 0.218 nan 8.230 nan 0.000 0.514 453 P HA -0.056 nan 4.420 nan 0.000 0.266 453 P C 0.607 177.869 177.300 -0.062 0.000 1.195 453 P CA 0.092 63.139 63.100 -0.090 0.000 0.768 453 P CB 1.033 32.681 31.700 -0.087 0.000 0.838 454 S N 2.673 118.342 115.700 -0.052 0.000 2.343 454 S HA -0.296 4.174 4.470 -0.000 0.000 0.324 454 S C 1.044 175.641 174.600 -0.005 0.000 1.144 454 S CA 2.149 60.335 58.200 -0.025 0.000 1.548 454 S CB -0.901 62.286 63.200 -0.021 0.000 1.368 454 S HN 0.670 nan 8.310 nan 0.000 0.477 455 C N 1.085 120.391 119.300 0.011 0.000 2.557 455 C HA 0.598 5.058 4.460 -0.000 0.000 0.281 455 C C 0.079 175.094 174.990 0.041 0.000 1.490 455 C CA -0.366 58.676 59.018 0.039 0.000 1.771 455 C CB -0.993 26.812 27.740 0.108 0.000 2.887 455 C HN 0.729 nan 8.230 nan 0.000 0.527 456 L N 0.322 121.554 121.223 0.014 0.000 3.898 456 L HA -0.209 4.131 4.340 -0.000 0.000 0.407 456 L C 0.936 177.891 176.870 0.142 0.000 1.207 456 L CA 1.060 55.921 54.840 0.035 0.000 0.931 456 L CB -1.940 40.118 42.059 -0.001 0.000 2.014 456 L HN 0.585 nan 8.230 nan 0.000 0.858 457 A N -0.668 122.195 122.820 0.071 0.000 2.409 457 A HA 0.700 5.020 4.320 -0.000 0.000 0.267 457 A C 1.528 179.103 177.584 -0.016 0.000 1.127 457 A CA 0.360 52.418 52.037 0.036 0.000 0.795 457 A CB 0.757 19.729 19.000 -0.046 0.000 1.061 457 A HN 0.674 nan 8.150 nan 0.000 0.502 458 A N 2.390 125.197 122.820 -0.023 0.000 1.898 458 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 458 A C 1.266 178.779 177.584 -0.117 0.000 1.181 458 A CA 1.235 53.270 52.037 -0.004 0.000 0.620 458 A CB -0.245 18.831 19.000 0.126 0.000 0.819 458 A HN 0.775 nan 8.150 nan 0.000 0.442 459 E N 0.173 120.242 120.200 -0.218 0.000 3.029 459 E HA 0.254 4.603 4.350 -0.000 0.000 0.249 459 E C -0.949 175.582 176.600 -0.114 0.000 1.089 459 E CA -0.967 55.288 56.400 -0.241 0.000 1.089 459 E CB -0.426 29.009 29.700 -0.442 0.000 1.428 459 E HN 0.160 nan 8.360 nan 0.000 0.555 460 D N 2.068 122.438 120.400 -0.049 0.000 2.570 460 D HA -0.028 4.612 4.640 -0.000 0.000 0.243 460 D C -1.601 174.644 176.300 -0.093 0.000 1.171 460 D CA -0.610 53.369 54.000 -0.035 0.000 0.879 460 D CB 0.277 41.086 40.800 0.015 0.000 1.143 460 D HN 0.047 nan 8.370 nan 0.000 0.511 461 P HA -0.180 nan 4.420 nan 0.000 0.217 461 P C 1.477 178.596 177.300 -0.302 0.000 1.148 461 P CA 0.843 63.824 63.100 -0.198 0.000 0.828 461 P CB 0.237 31.869 31.700 -0.114 0.000 0.783 462 S N -1.234 114.367 115.700 -0.165 0.000 2.392 462 S HA -0.146 4.324 4.470 -0.000 0.000 0.232 462 S C 1.208 175.711 174.600 -0.162 0.000 1.041 462 S CA 1.208 59.335 58.200 -0.123 0.000 1.026 462 S CB -0.594 62.574 63.200 -0.053 0.000 0.845 462 S HN 0.077 nan 8.310 nan 0.000 0.465 463 L N 0.448 121.560 121.223 -0.185 0.000 3.366 463 L HA 0.402 4.742 4.340 -0.000 0.000 0.304 463 L C -0.246 176.521 176.870 -0.172 0.000 1.292 463 L CA -0.231 54.534 54.840 -0.125 0.000 1.012 463 L CB 1.038 43.085 42.059 -0.021 0.000 1.414 463 L HN 0.130 nan 8.230 nan 0.000 0.603 464 S N -0.538 114.927 115.700 -0.391 0.000 2.737 464 S HA 0.412 4.882 4.470 -0.000 0.000 0.269 464 S C -0.818 173.549 174.600 -0.389 0.000 1.150 464 S CA -0.291 57.755 58.200 -0.257 0.000 1.077 464 S CB 0.507 63.620 63.200 -0.145 0.000 1.075 464 S HN 0.253 nan 8.310 nan 0.000 0.476 465 Y N 4.240 124.577 120.300 0.063 0.000 2.774 465 Y HA 0.316 4.866 4.550 -0.000 0.000 0.305 465 Y C 1.657 177.633 175.900 0.127 0.000 1.067 465 Y CA -0.438 57.704 58.100 0.070 0.000 1.304 465 Y CB -0.545 37.940 38.460 0.041 0.000 1.209 465 Y HN 0.909 nan 8.280 nan 0.000 0.543 466 H N -0.287 118.841 119.070 0.097 0.000 2.007 466 H HA -0.397 4.159 4.556 -0.000 0.000 0.209 466 H C 0.926 176.336 175.328 0.136 0.000 1.148 466 H CA 2.273 58.387 56.048 0.109 0.000 1.527 466 H CB -0.191 29.621 29.762 0.084 0.000 1.837 466 H HN 0.458 nan 8.280 nan 0.000 0.772 467 C N 0.950 120.271 119.300 0.035 0.000 2.673 467 C HA 0.117 4.577 4.460 -0.000 0.000 0.274 467 C C 2.348 177.347 174.990 0.016 0.000 1.276 467 C CA -0.022 58.962 59.018 -0.058 0.000 1.701 467 C CB -0.710 26.947 27.740 -0.139 0.000 1.836 467 C HN 0.548 nan 8.230 nan 0.000 0.596 468 K N 1.936 122.380 120.400 0.073 0.000 2.032 468 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 468 K C 2.129 178.736 176.600 0.011 0.000 1.048 468 K CA 1.975 58.291 56.287 0.050 0.000 0.927 468 K CB -0.463 32.087 32.500 0.082 0.000 0.712 468 K HN 0.478 nan 8.250 nan 0.000 0.441 469 G N 1.364 110.175 108.800 0.018 0.000 2.440 469 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 469 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 469 G C 1.490 176.368 174.900 -0.037 0.000 1.154 469 G CA 0.925 46.017 45.100 -0.014 0.000 0.767 469 G HN 0.252 nan 8.290 nan 0.000 0.552 470 L N 0.294 121.502 121.223 -0.026 0.000 2.131 470 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 470 L C 2.533 179.384 176.870 -0.032 0.000 1.092 470 L CA 1.263 56.083 54.840 -0.034 0.000 0.759 470 L CB -0.343 41.713 42.059 -0.006 0.000 0.903 470 L HN 0.179 nan 8.230 nan 0.000 0.435 471 D N 0.527 120.917 120.400 -0.017 0.000 2.144 471 D HA -0.177 4.463 4.640 -0.000 0.000 0.199 471 D C 2.132 178.452 176.300 0.032 0.000 0.984 471 D CA 1.291 55.295 54.000 0.008 0.000 0.834 471 D CB 0.067 40.860 40.800 -0.010 0.000 0.955 471 D HN 0.281 nan 8.370 nan 0.000 0.465 472 I N 0.119 120.671 120.570 -0.031 0.000 2.286 472 I HA -0.145 4.025 4.170 -0.000 0.000 0.245 472 I C 2.452 178.461 176.117 -0.180 0.000 1.104 472 I CA 0.849 62.106 61.300 -0.070 0.000 1.397 472 I CB -0.251 37.706 38.000 -0.073 0.000 1.072 472 I HN -0.009 nan 8.210 nan 0.000 0.417 473 A N 0.901 123.570 122.820 -0.251 0.000 1.902 473 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 473 A C 2.554 179.606 177.584 -0.886 0.000 1.181 473 A CA 1.755 53.457 52.037 -0.558 0.000 0.623 473 A CB -0.784 17.937 19.000 -0.465 0.000 0.818 473 A HN 0.414 nan 8.150 nan 0.000 0.443 474 A N -0.080 122.496 122.820 -0.406 0.000 1.908 474 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 474 A C 2.466 179.889 177.584 -0.267 0.000 1.181 474 A CA 2.179 54.129 52.037 -0.144 0.000 0.627 474 A CB -0.947 18.193 19.000 0.232 0.000 0.818 474 A HN 1.090 nan 8.150 nan 0.000 0.445 475 A N -0.532 122.102 122.820 -0.310 0.000 2.015 475 A HA 0.272 4.592 4.320 -0.000 0.000 0.219 475 A C 2.398 179.724 177.584 -0.431 0.000 1.163 475 A CA 1.716 53.358 52.037 -0.659 0.000 0.646 475 A CB -0.737 18.084 19.000 -0.298 0.000 0.806 475 A HN 0.985 nan 8.150 nan 0.000 0.448 476 A N -1.174 121.434 122.820 -0.353 0.000 1.929 476 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 476 A C 2.042 179.572 177.584 -0.090 0.000 1.176 476 A CA 1.196 53.092 52.037 -0.235 0.000 0.628 476 A CB -0.715 18.131 19.000 -0.256 0.000 0.816 476 A HN 0.670 nan 8.150 nan 0.000 0.444 477 Y N -0.218 120.018 120.300 -0.107 0.000 2.263 477 Y HA -0.136 4.414 4.550 -0.000 0.000 0.292 477 Y C 2.912 178.758 175.900 -0.089 0.000 1.130 477 Y CA 0.897 58.956 58.100 -0.069 0.000 1.179 477 Y CB -0.502 37.942 38.460 -0.027 0.000 0.998 477 Y HN 0.237 nan 8.280 nan 0.000 0.532 478 T N -0.524 114.000 114.554 -0.050 0.000 2.746 478 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 478 T C 2.068 176.715 174.700 -0.089 0.000 1.039 478 T CA 1.616 63.639 62.100 -0.129 0.000 1.142 478 T CB -0.342 68.251 68.868 -0.459 0.000 0.866 478 T HN 0.263 nan 8.240 nan 0.000 0.444 479 S N 0.841 116.468 115.700 -0.120 0.000 2.356 479 S HA -0.133 4.337 4.470 -0.000 0.000 0.223 479 S C 2.058 176.666 174.600 0.012 0.000 1.032 479 S CA 1.219 59.383 58.200 -0.060 0.000 1.005 479 S CB -0.299 62.853 63.200 -0.079 0.000 0.867 479 S HN 0.595 nan 8.310 nan 0.000 0.449 480 E N 0.872 121.088 120.200 0.027 0.000 2.085 480 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 480 E C 1.980 178.637 176.600 0.094 0.000 0.994 480 E CA 0.890 57.329 56.400 0.066 0.000 0.801 480 E CB -0.158 29.584 29.700 0.070 0.000 0.743 480 E HN 0.412 nan 8.360 nan 0.000 0.453 481 L N -0.111 121.157 121.223 0.074 0.000 2.083 481 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 481 L C 2.573 179.482 176.870 0.066 0.000 1.083 481 L CA 1.164 56.046 54.840 0.069 0.000 0.752 481 L CB -0.592 41.509 42.059 0.071 0.000 0.899 481 L HN 0.311 nan 8.230 nan 0.000 0.433 482 G N -1.452 107.388 108.800 0.067 0.000 2.418 482 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 482 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 482 G C 1.532 176.474 174.900 0.070 0.000 1.158 482 G CA 0.740 45.878 45.100 0.064 0.000 0.771 482 G HN 0.454 nan 8.290 nan 0.000 0.545 483 H N 0.504 119.579 119.070 0.009 0.000 2.389 483 H HA 0.101 4.657 4.556 -0.000 0.000 0.299 483 H C 2.516 177.849 175.328 0.009 0.000 1.081 483 H CA 1.002 57.054 56.048 0.007 0.000 1.345 483 H CB -0.057 29.705 29.762 -0.000 0.000 1.393 483 H HN 0.302 nan 8.280 nan 0.000 0.520 484 L N 0.572 121.783 121.223 -0.020 0.000 2.141 484 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 484 L C 2.976 179.799 176.870 -0.078 0.000 1.094 484 L CA 0.850 55.655 54.840 -0.059 0.000 0.763 484 L CB -0.420 41.656 42.059 0.028 0.000 0.908 484 L HN 0.274 nan 8.230 nan 0.000 0.437 485 A N -0.534 122.259 122.820 -0.045 0.000 2.178 485 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 485 A C 0.904 178.460 177.584 -0.048 0.000 1.157 485 A CA 0.560 52.578 52.037 -0.031 0.000 0.689 485 A CB -0.719 18.278 19.000 -0.005 0.000 0.787 485 A HN 0.401 nan 8.150 nan 0.000 0.465 486 N N 1.290 119.938 118.700 -0.087 0.000 2.441 486 N HA 0.165 4.905 4.740 -0.000 0.000 0.251 486 N C -2.597 172.897 175.510 -0.027 0.000 1.242 486 N CA -0.821 52.193 53.050 -0.061 0.000 0.898 486 N CB 0.148 38.579 38.487 -0.092 0.000 1.100 486 N HN 0.267 nan 8.380 nan 0.000 0.443 487 P HA 0.049 nan 4.420 nan 0.000 0.271 487 P C 0.427 177.776 177.300 0.083 0.000 1.218 487 P CA -0.204 62.903 63.100 0.013 0.000 0.780 487 P CB 1.102 32.793 31.700 -0.015 0.000 0.901 488 V N 2.081 122.041 119.914 0.077 0.000 2.672 488 V HA -0.102 4.018 4.120 -0.000 0.000 0.242 488 V C 2.658 178.837 176.094 0.143 0.000 1.059 488 V CA 2.143 64.528 62.300 0.142 0.000 1.081 488 V CB -1.524 30.334 31.823 0.057 0.000 0.752 488 V HN 0.666 nan 8.190 nan 0.000 0.472 489 T N -0.603 113.983 114.554 0.052 0.000 2.897 489 T HA -0.222 4.128 4.350 -0.000 0.000 0.271 489 T C 1.646 176.331 174.700 -0.026 0.000 1.084 489 T CA 1.900 64.012 62.100 0.020 0.000 1.123 489 T CB -0.889 67.981 68.868 0.002 0.000 0.865 489 T HN 0.604 nan 8.240 nan 0.000 0.496 490 T N -1.146 113.345 114.554 -0.106 0.000 3.160 490 T HA -0.011 4.339 4.350 -0.000 0.000 0.257 490 T C 0.915 175.382 174.700 -0.388 0.000 1.147 490 T CA 0.243 62.196 62.100 -0.246 0.000 1.064 490 T CB -0.540 68.130 68.868 -0.330 0.000 0.949 490 T HN 0.588 nan 8.240 nan 0.000 0.526 491 H N 1.270 120.336 119.070 -0.007 0.000 2.469 491 H HA 0.352 4.908 4.556 -0.000 0.000 0.286 491 H C 0.687 176.015 175.328 -0.000 0.000 1.106 491 H CA -0.459 55.587 56.048 -0.004 0.000 1.055 491 H CB 0.235 29.992 29.762 -0.007 0.000 1.618 491 H HN 0.423 nan 8.280 nan 0.000 0.559 492 V N 0.252 120.201 119.914 0.058 0.000 2.572 492 V HA 0.160 4.280 4.120 -0.000 0.000 0.291 492 V C 0.147 176.266 176.094 0.041 0.000 1.039 492 V CA -0.527 61.801 62.300 0.048 0.000 1.055 492 V CB 1.515 33.356 31.823 0.030 0.000 0.969 492 V HN 0.094 nan 8.190 nan 0.000 0.482 493 Q N 5.449 125.274 119.800 0.040 0.000 2.215 493 Q HA 0.482 4.822 4.340 -0.000 0.000 0.256 493 Q C -2.408 173.607 176.000 0.025 0.000 0.972 493 Q CA -2.240 53.582 55.803 0.032 0.000 0.889 493 Q CB 1.416 30.172 28.738 0.031 0.000 1.281 493 Q HN 0.711 nan 8.270 nan 0.000 0.456 494 P HA 0.156 nan 4.420 nan 0.000 0.244 494 P C -0.687 176.622 177.300 0.015 0.000 1.769 494 P CA 0.075 63.185 63.100 0.017 0.000 1.102 494 P CB -0.306 31.402 31.700 0.014 0.000 1.937 495 A N 2.151 124.981 122.820 0.017 0.000 2.429 495 A HA 0.146 4.466 4.320 -0.000 0.000 0.242 495 A C 0.717 178.306 177.584 0.008 0.000 1.088 495 A CA -0.064 51.980 52.037 0.013 0.000 0.784 495 A CB -0.277 18.733 19.000 0.015 0.000 1.038 495 A HN 0.614 nan 8.150 nan 0.000 0.501 499 N N 0.329 119.034 118.700 0.008 0.000 2.354 499 N HA -0.024 4.716 4.740 -0.000 0.000 0.179 499 N C 0.500 176.025 175.510 0.025 0.000 1.021 499 N CA 0.915 53.972 53.050 0.012 0.000 0.887 499 N CB 0.178 38.664 38.487 -0.001 0.000 0.974 499 N HN 0.687 nan 8.380 nan 0.000 0.437 500 Q N -0.043 119.771 119.800 0.023 0.000 2.490 500 Q HA 0.337 4.677 4.340 -0.000 0.000 0.397 500 Q C 0.553 176.575 176.000 0.037 0.000 0.937 500 Q CA -0.435 55.390 55.803 0.036 0.000 1.108 500 Q CB 1.021 29.771 28.738 0.020 0.000 1.336 500 Q HN 0.208 nan 8.270 nan 0.000 0.410 501 A N 0.461 123.302 122.820 0.035 0.000 2.076 501 A HA -0.039 4.281 4.320 -0.000 0.000 0.220 501 A C 1.022 178.625 177.584 0.031 0.000 1.160 501 A CA 1.034 53.088 52.037 0.028 0.000 0.653 501 A CB 0.043 19.057 19.000 0.024 0.000 0.801 501 A HN 0.330 nan 8.150 nan 0.000 0.455 502 V N -1.186 118.754 119.914 0.043 0.000 2.577 502 V HA 0.695 4.815 4.120 -0.000 0.000 0.303 502 V C -1.321 174.810 176.094 0.062 0.000 1.042 502 V CA -0.828 61.498 62.300 0.044 0.000 0.872 502 V CB 1.199 33.045 31.823 0.039 0.000 0.998 502 V HN 0.536 nan 8.190 nan 0.000 0.423 503 N N 1.720 120.453 118.700 0.055 0.000 2.277 503 N HA 0.518 5.258 4.740 -0.000 0.000 0.286 503 N C 0.567 176.109 175.510 0.054 0.000 1.140 503 N CA -0.263 52.827 53.050 0.066 0.000 0.799 503 N CB 2.057 40.577 38.487 0.055 0.000 1.596 503 N HN 0.611 nan 8.380 nan 0.000 0.473 504 S N 1.264 117.000 115.700 0.060 0.000 2.406 504 S HA -0.026 4.444 4.470 -0.000 0.000 0.228 504 S C 0.901 175.523 174.600 0.036 0.000 1.020 504 S CA 0.294 58.521 58.200 0.044 0.000 0.965 504 S CB -0.753 62.475 63.200 0.048 0.000 0.798 504 S HN 0.646 nan 8.310 nan 0.000 0.488 505 L N -0.303 120.942 121.223 0.037 0.000 4.040 505 L HA -0.291 4.049 4.340 -0.000 0.000 0.410 505 L C 1.793 178.677 176.870 0.023 0.000 1.187 505 L CA 0.088 54.946 54.840 0.030 0.000 0.956 505 L CB -2.569 39.512 42.059 0.035 0.000 2.022 505 L HN 0.481 nan 8.230 nan 0.000 0.897 506 A N 0.269 123.104 122.820 0.024 0.000 1.851 506 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 506 A C 1.915 179.504 177.584 0.009 0.000 1.195 506 A CA 2.121 54.168 52.037 0.017 0.000 0.622 506 A CB -0.251 18.761 19.000 0.020 0.000 0.831 506 A HN 0.434 nan 8.150 nan 0.000 0.444 507 L N 0.087 121.315 121.223 0.007 0.000 2.013 507 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 507 L C 2.312 179.180 176.870 -0.005 0.000 1.073 507 L CA 2.050 56.889 54.840 -0.001 0.000 0.753 507 L CB -0.479 41.577 42.059 -0.005 0.000 0.890 507 L HN 0.480 nan 8.230 nan 0.000 0.432 508 I N -1.541 119.028 120.570 -0.002 0.000 2.226 508 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 508 I C 2.646 178.761 176.117 -0.002 0.000 1.100 508 I CA 1.518 62.816 61.300 -0.004 0.000 1.374 508 I CB -0.479 37.521 38.000 -0.000 0.000 1.057 508 I HN 0.336 nan 8.210 nan 0.000 0.413 509 S N 0.405 116.107 115.700 0.003 0.000 2.368 509 S HA -0.147 4.323 4.470 -0.000 0.000 0.224 509 S C 2.219 176.817 174.600 -0.002 0.000 1.029 509 S CA 1.345 59.546 58.200 0.002 0.000 0.988 509 S CB -0.178 63.026 63.200 0.006 0.000 0.838 509 S HN 0.476 nan 8.310 nan 0.000 0.462 510 A N 1.517 124.335 122.820 -0.003 0.000 1.902 510 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 510 A C 2.210 179.790 177.584 -0.007 0.000 1.181 510 A CA 1.469 53.503 52.037 -0.005 0.000 0.623 510 A CB -0.585 18.412 19.000 -0.006 0.000 0.818 510 A HN 0.583 nan 8.150 nan 0.000 0.443 511 R N -1.037 119.458 120.500 -0.009 0.000 2.081 511 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 511 R C 2.401 178.697 176.300 -0.007 0.000 1.131 511 R CA 1.293 57.386 56.100 -0.011 0.000 0.960 511 R CB -0.220 30.071 30.300 -0.015 0.000 0.856 511 R HN 0.326 nan 8.270 nan 0.000 0.436 512 R N -0.190 120.306 120.500 -0.006 0.000 2.075 512 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 512 R C 2.161 178.461 176.300 -0.000 0.000 1.126 512 R CA 1.531 57.630 56.100 -0.003 0.000 0.963 512 R CB -0.976 29.319 30.300 -0.009 0.000 0.858 512 R HN 0.241 nan 8.270 nan 0.000 0.435 513 T N 0.792 115.344 114.554 -0.003 0.000 2.788 513 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 513 T C 1.737 176.439 174.700 0.003 0.000 1.044 513 T CA 1.826 63.925 62.100 -0.001 0.000 1.139 513 T CB -0.222 68.643 68.868 -0.006 0.000 0.867 513 T HN 0.313 nan 8.240 nan 0.000 0.454 514 T N 1.592 116.146 114.554 0.001 0.000 2.746 514 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 514 T C 1.897 176.602 174.700 0.008 0.000 1.039 514 T CA 1.390 63.492 62.100 0.004 0.000 1.142 514 T CB -0.219 68.648 68.868 -0.002 0.000 0.866 514 T HN 0.560 nan 8.240 nan 0.000 0.444 515 E N 0.667 120.872 120.200 0.008 0.000 2.150 515 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 515 E C 2.200 178.810 176.600 0.016 0.000 0.985 515 E CA 1.020 57.427 56.400 0.012 0.000 0.814 515 E CB -0.033 29.674 29.700 0.012 0.000 0.752 515 E HN 0.330 nan 8.360 nan 0.000 0.466 516 S N 0.742 116.452 115.700 0.017 0.000 2.402 516 S HA -0.084 4.386 4.470 -0.000 0.000 0.229 516 S C 1.610 176.225 174.600 0.025 0.000 1.021 516 S CA 0.713 58.927 58.200 0.023 0.000 0.974 516 S CB -0.238 62.975 63.200 0.021 0.000 0.800 516 S HN 0.325 nan 8.310 nan 0.000 0.484 517 N N 1.690 120.403 118.700 0.022 0.000 2.084 517 N HA -0.116 4.624 4.740 -0.000 0.000 0.190 517 N C 1.465 176.996 175.510 0.035 0.000 1.030 517 N CA 1.289 54.354 53.050 0.026 0.000 0.849 517 N CB -0.666 37.834 38.487 0.021 0.000 1.012 517 N HN 0.343 nan 8.380 nan 0.000 0.423 518 D N 0.170 120.592 120.400 0.036 0.000 2.123 518 D HA -0.079 4.561 4.640 -0.000 0.000 0.196 518 D C 1.809 178.140 176.300 0.051 0.000 0.992 518 D CA 0.630 54.671 54.000 0.068 0.000 0.833 518 D CB 0.115 40.951 40.800 0.060 0.000 0.954 518 D HN -0.020 nan 8.370 nan 0.000 0.455 519 V N 0.543 120.453 119.914 -0.006 0.000 2.591 519 V HA -0.088 4.032 4.120 -0.000 0.000 0.249 519 V C 2.454 178.514 176.094 -0.056 0.000 1.053 519 V CA 0.701 62.950 62.300 -0.085 0.000 1.068 519 V CB -0.247 31.551 31.823 -0.041 0.000 0.689 519 V HN 0.357 nan 8.190 nan 0.000 0.462 520 L N -0.366 120.870 121.223 0.023 0.000 2.141 520 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 520 L C 2.499 179.415 176.870 0.078 0.000 1.094 520 L CA 1.464 56.343 54.840 0.065 0.000 0.763 520 L CB -0.188 41.913 42.059 0.071 0.000 0.908 520 L HN 0.387 nan 8.230 nan 0.000 0.437 521 S N 0.209 115.957 115.700 0.080 0.000 2.356 521 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 521 S C 1.884 176.596 174.600 0.187 0.000 1.032 521 S CA 1.179 59.460 58.200 0.135 0.000 1.005 521 S CB -0.254 63.025 63.200 0.131 0.000 0.867 521 S HN 0.349 nan 8.310 nan 0.000 0.449 522 L N 0.802 122.063 121.223 0.063 0.000 2.042 522 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 522 L C 2.394 179.254 176.870 -0.016 0.000 1.076 522 L CA 0.782 55.512 54.840 -0.185 0.000 0.749 522 L CB -0.562 40.989 42.059 -0.847 0.000 0.893 522 L HN 0.272 nan 8.230 nan 0.000 0.432 523 L N -0.181 121.079 121.223 0.062 0.000 2.005 523 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 523 L C 2.290 179.330 176.870 0.283 0.000 1.072 523 L CA 1.766 56.802 54.840 0.327 0.000 0.744 523 L CB -0.452 41.788 42.059 0.302 0.000 0.895 523 L HN 0.101 nan 8.230 nan 0.000 0.433 524 L N -0.787 120.568 121.223 0.221 0.000 2.141 524 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 524 L C 2.609 179.603 176.870 0.206 0.000 1.094 524 L CA 0.915 55.882 54.840 0.211 0.000 0.763 524 L CB -1.004 41.142 42.059 0.144 0.000 0.908 524 L HN 0.369 nan 8.230 nan 0.000 0.437 525 A N -0.038 122.906 122.820 0.207 0.000 1.933 525 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 525 A C 2.377 180.100 177.584 0.232 0.000 1.175 525 A CA 2.214 54.378 52.037 0.213 0.000 0.628 525 A CB -0.761 18.383 19.000 0.239 0.000 0.814 525 A HN 0.354 nan 8.150 nan 0.000 0.444 526 T N -1.575 113.126 114.554 0.245 0.000 2.777 526 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 526 T C 1.825 176.707 174.700 0.304 0.000 1.040 526 T CA 1.538 63.785 62.100 0.245 0.000 1.141 526 T CB -0.447 68.571 68.868 0.251 0.000 0.868 526 T HN 0.775 nan 8.240 nan 0.000 0.444 527 H N 0.094 119.265 119.070 0.169 0.000 2.353 527 H HA -0.037 4.519 4.556 -0.000 0.000 0.300 527 H C 2.306 177.705 175.328 0.118 0.000 1.090 527 H CA 0.777 56.900 56.048 0.125 0.000 1.327 527 H CB -0.078 29.749 29.762 0.109 0.000 1.383 527 H HN 0.114 nan 8.280 nan 0.000 0.508 528 L N 0.614 121.959 121.223 0.202 0.000 2.012 528 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 528 L C 2.232 179.196 176.870 0.157 0.000 1.073 528 L CA 1.899 56.803 54.840 0.108 0.000 0.748 528 L CB -1.418 40.711 42.059 0.118 0.000 0.891 528 L HN 0.370 nan 8.230 nan 0.000 0.431 529 Y N -0.466 119.890 120.300 0.094 0.000 2.114 529 Y HA -0.343 4.207 4.550 -0.000 0.000 0.282 529 Y C 2.665 178.604 175.900 0.065 0.000 1.165 529 Y CA 2.237 60.384 58.100 0.077 0.000 1.148 529 Y CB -0.764 37.744 38.460 0.080 0.000 0.972 529 Y HN 0.325 nan 8.280 nan 0.000 0.504 530 C N -0.747 118.655 119.300 0.170 0.000 2.453 530 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 530 C C 2.735 177.724 174.990 -0.001 0.000 1.262 530 C CA 1.175 60.219 59.018 0.042 0.000 1.718 530 C CB -1.271 26.538 27.740 0.115 0.000 2.031 530 C HN 0.572 nan 8.230 nan 0.000 0.480 531 V N 0.960 120.923 119.914 0.081 0.000 2.407 531 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 531 V C 2.258 178.346 176.094 -0.011 0.000 1.055 531 V CA 1.708 64.027 62.300 0.032 0.000 1.049 531 V CB -1.057 30.780 31.823 0.024 0.000 0.662 531 V HN 0.531 nan 8.190 nan 0.000 0.455 532 L N -0.535 120.682 121.223 -0.010 0.000 2.017 532 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 532 L C 2.914 179.784 176.870 0.000 0.000 1.073 532 L CA 1.711 56.565 54.840 0.022 0.000 0.745 532 L CB -0.730 41.293 42.059 -0.060 0.000 0.894 532 L HN 0.329 nan 8.230 nan 0.000 0.432 533 Q N -0.281 119.455 119.800 -0.106 0.000 2.226 533 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 533 Q C 2.216 178.183 176.000 -0.055 0.000 0.975 533 Q CA 1.634 57.396 55.803 -0.067 0.000 0.866 533 Q CB -0.004 28.667 28.738 -0.111 0.000 0.915 533 Q HN 0.543 nan 8.270 nan 0.000 0.440 534 A N 0.793 123.562 122.820 -0.085 0.000 1.975 534 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 534 A C 1.954 179.413 177.584 -0.208 0.000 1.170 534 A CA 0.767 52.724 52.037 -0.133 0.000 0.656 534 A CB -0.461 18.463 19.000 -0.127 0.000 0.821 534 A HN 0.454 nan 8.150 nan 0.000 0.449 535 I N -2.600 117.861 120.570 -0.182 0.000 2.439 535 I HA -0.104 4.066 4.170 -0.000 0.000 0.251 535 I C 1.327 177.366 176.117 -0.130 0.000 1.139 535 I CA 1.439 62.560 61.300 -0.298 0.000 1.438 535 I CB -0.793 37.081 38.000 -0.212 0.000 1.085 535 I HN 0.038 nan 8.210 nan 0.000 0.427 536 D N 1.727 122.121 120.400 -0.010 0.000 2.097 536 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 536 D C 2.239 178.375 176.300 -0.273 0.000 0.984 536 D CA 1.151 55.149 54.000 -0.004 0.000 0.826 536 D CB -0.052 40.816 40.800 0.114 0.000 0.973 536 D HN 0.223 nan 8.370 nan 0.000 0.460 537 L N 0.754 121.819 121.223 -0.263 0.000 2.131 537 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 537 L C 2.269 178.957 176.870 -0.303 0.000 1.092 537 L CA 1.276 55.939 54.840 -0.295 0.000 0.759 537 L CB -0.593 41.349 42.059 -0.195 0.000 0.903 537 L HN -0.104 nan 8.230 nan 0.000 0.435 538 R N -0.618 119.681 120.500 -0.335 0.000 2.193 538 R HA 0.050 4.390 4.340 -0.000 0.000 0.213 538 R C 2.090 178.114 176.300 -0.461 0.000 1.055 538 R CA 1.149 56.962 56.100 -0.478 0.000 0.995 538 R CB -0.306 29.592 30.300 -0.669 0.000 0.893 538 R HN 0.307 nan 8.270 nan 0.000 0.459 539 A N 0.636 123.364 122.820 -0.153 0.000 1.855 539 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 539 A C 2.150 179.729 177.584 -0.008 0.000 1.191 539 A CA 1.506 53.580 52.037 0.061 0.000 0.613 539 A CB -0.600 18.553 19.000 0.254 0.000 0.829 539 A HN 0.321 nan 8.150 nan 0.000 0.442 540 I N -0.329 120.153 120.570 -0.148 0.000 2.194 540 I HA -0.312 3.858 4.170 -0.000 0.000 0.246 540 I C 2.593 178.706 176.117 -0.006 0.000 1.093 540 I CA 1.935 63.158 61.300 -0.128 0.000 1.355 540 I CB -0.356 37.442 38.000 -0.337 0.000 1.046 540 I HN 0.551 nan 8.210 nan 0.000 0.413 541 E N 0.812 120.957 120.200 -0.092 0.000 2.118 541 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 541 E C 2.178 178.937 176.600 0.265 0.000 0.992 541 E CA 1.417 57.828 56.400 0.020 0.000 0.804 541 E CB 0.028 29.662 29.700 -0.110 0.000 0.741 541 E HN 0.350 nan 8.360 nan 0.000 0.458 542 F N 1.128 121.087 119.950 0.015 0.000 2.206 542 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 542 F C 2.376 178.230 175.800 0.090 0.000 1.090 542 F CA 0.924 58.900 58.000 -0.041 0.000 1.323 542 F CB -0.869 37.868 39.000 -0.439 0.000 1.028 542 F HN 0.038 nan 8.300 nan 0.000 0.492 543 E N -0.057 120.348 120.200 0.342 0.000 2.085 543 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 543 E C 2.086 178.836 176.600 0.249 0.000 0.994 543 E CA 1.131 57.702 56.400 0.285 0.000 0.801 543 E CB -0.684 29.163 29.700 0.246 0.000 0.743 543 E HN 0.332 nan 8.360 nan 0.000 0.453 544 F N 0.894 120.923 119.950 0.132 0.000 2.146 544 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 544 F C 1.713 177.614 175.800 0.168 0.000 1.096 544 F CA 1.188 59.255 58.000 0.112 0.000 1.275 544 F CB 0.146 39.185 39.000 0.066 0.000 1.008 544 F HN -0.138 nan 8.300 nan 0.000 0.480 545 K N 0.887 121.440 120.400 0.255 0.000 2.439 545 K HA -0.119 4.201 4.320 -0.000 0.000 0.197 545 K C 1.958 178.585 176.600 0.044 0.000 1.041 545 K CA 0.630 57.010 56.287 0.155 0.000 0.970 545 K CB -0.294 32.371 32.500 0.274 0.000 0.773 545 K HN 0.376 nan 8.250 nan 0.000 0.479 546 K N 0.915 121.344 120.400 0.049 0.000 2.076 546 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 546 K C 1.781 178.369 176.600 -0.019 0.000 1.051 546 K CA 1.088 57.391 56.287 0.026 0.000 0.949 546 K CB 0.259 32.802 32.500 0.072 0.000 0.726 546 K HN 0.117 nan 8.250 nan 0.000 0.443 547 Q N -0.960 118.810 119.800 -0.050 0.000 2.204 547 Q HA -0.041 4.299 4.340 -0.000 0.000 0.198 547 Q C 1.771 177.700 176.000 -0.119 0.000 0.946 547 Q CA 0.638 56.397 55.803 -0.074 0.000 0.859 547 Q CB 0.009 28.715 28.738 -0.053 0.000 0.946 547 Q HN 0.184 nan 8.270 nan 0.000 0.474 548 F N 1.415 121.085 119.950 -0.466 0.000 2.186 548 F HA -0.010 4.517 4.527 -0.000 0.000 0.299 548 F C 2.025 177.692 175.800 -0.222 0.000 1.090 548 F CA 1.404 59.104 58.000 -0.500 0.000 1.307 548 F CB -0.731 37.666 39.000 -1.005 0.000 1.019 548 F HN 0.046 nan 8.300 nan 0.000 0.489 549 G N 1.578 110.281 108.800 -0.162 0.000 2.599 549 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 549 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 549 G C -0.498 174.284 174.900 -0.197 0.000 1.193 549 G CA 1.205 46.214 45.100 -0.151 0.000 0.778 549 G HN 0.365 nan 8.290 nan 0.000 0.589 550 P HA 0.028 nan 4.420 nan 0.000 0.217 550 P C 2.037 179.242 177.300 -0.158 0.000 1.151 550 P CA 1.790 64.817 63.100 -0.123 0.000 0.828 550 P CB -0.166 31.485 31.700 -0.081 0.000 0.788 551 A N 0.361 123.048 122.820 -0.221 0.000 1.940 551 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 551 A C 2.384 179.804 177.584 -0.273 0.000 1.176 551 A CA 1.353 53.258 52.037 -0.219 0.000 0.631 551 A CB -1.552 17.333 19.000 -0.192 0.000 0.814 551 A HN 0.119 nan 8.150 nan 0.000 0.446 552 I N -0.388 119.911 120.570 -0.453 0.000 2.142 552 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 552 I C 2.355 178.440 176.117 -0.052 0.000 1.078 552 I CA 1.421 62.544 61.300 -0.295 0.000 1.343 552 I CB -0.409 37.398 38.000 -0.321 0.000 1.046 552 I HN 0.175 nan 8.210 nan 0.000 0.405 553 V N 0.112 119.982 119.914 -0.073 0.000 2.343 553 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 553 V C 2.611 178.697 176.094 -0.014 0.000 1.051 553 V CA 2.157 64.445 62.300 -0.020 0.000 1.036 553 V CB -0.820 30.982 31.823 -0.034 0.000 0.654 553 V HN 0.511 nan 8.190 nan 0.000 0.451 554 S N 0.066 115.743 115.700 -0.038 0.000 2.353 554 S HA -0.209 4.261 4.470 -0.000 0.000 0.222 554 S C 1.979 176.581 174.600 0.003 0.000 1.035 554 S CA 1.780 59.964 58.200 -0.027 0.000 1.025 554 S CB -0.374 62.800 63.200 -0.043 0.000 0.902 554 S HN 0.332 nan 8.310 nan 0.000 0.440 555 L N 1.625 122.872 121.223 0.039 0.000 2.042 555 L HA 0.042 4.382 4.340 -0.000 0.000 0.210 555 L C 2.308 179.284 176.870 0.176 0.000 1.076 555 L CA 1.538 56.477 54.840 0.164 0.000 0.749 555 L CB -0.880 41.275 42.059 0.161 0.000 0.893 555 L HN 0.445 nan 8.230 nan 0.000 0.432 556 I N -0.832 119.802 120.570 0.106 0.000 2.286 556 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 556 I C 1.989 178.035 176.117 -0.119 0.000 1.115 556 I CA 1.154 62.378 61.300 -0.126 0.000 1.392 556 I CB -0.389 37.610 38.000 -0.002 0.000 1.065 556 I HN 0.301 nan 8.210 nan 0.000 0.418 557 D N 0.428 120.805 120.400 -0.040 0.000 2.103 557 D HA -0.150 4.490 4.640 -0.000 0.000 0.199 557 D C 2.250 178.514 176.300 -0.061 0.000 0.978 557 D CA 1.081 55.063 54.000 -0.029 0.000 0.829 557 D CB -0.306 40.481 40.800 -0.022 0.000 0.981 557 D HN 0.415 nan 8.370 nan 0.000 0.464 558 Q N -0.050 119.698 119.800 -0.087 0.000 2.030 558 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 558 Q C 2.135 177.973 176.000 -0.271 0.000 0.986 558 Q CA 1.132 56.835 55.803 -0.167 0.000 0.843 558 Q CB -0.227 28.389 28.738 -0.203 0.000 0.904 558 Q HN 0.552 nan 8.270 nan 0.000 0.420 559 H N -1.254 117.677 119.070 -0.232 0.000 2.403 559 H HA 0.044 4.600 4.556 -0.000 0.000 0.298 559 H C 1.016 176.209 175.328 -0.223 0.000 1.059 559 H CA 0.827 56.673 56.048 -0.336 0.000 1.363 559 H CB 0.197 29.594 29.762 -0.608 0.000 1.410 559 H HN 0.134 nan 8.280 nan 0.000 0.528 560 F N -1.415 118.514 119.950 -0.035 0.000 2.932 560 F HA 0.393 4.920 4.527 -0.000 0.000 0.267 560 F C 2.078 177.837 175.800 -0.069 0.000 1.396 560 F CA -0.327 57.620 58.000 -0.088 0.000 0.988 560 F CB 0.149 39.039 39.000 -0.185 0.000 1.938 560 F HN 0.164 nan 8.300 nan 0.000 0.471 561 G N 0.454 109.350 108.800 0.161 0.000 3.639 561 G HA2 -0.458 3.502 3.960 -0.000 0.000 0.224 561 G HA3 -0.458 3.502 3.960 -0.000 0.000 0.224 561 G C 1.357 176.279 174.900 0.037 0.000 1.339 561 G CA 1.072 46.208 45.100 0.060 0.000 0.933 561 G HN 0.620 nan 8.290 nan 0.000 0.568 562 S N 1.431 117.156 115.700 0.041 0.000 2.400 562 S HA 0.335 4.805 4.470 -0.000 0.000 0.232 562 S C 1.656 176.271 174.600 0.024 0.000 1.025 562 S CA 1.766 59.981 58.200 0.025 0.000 0.993 562 S CB -0.503 62.711 63.200 0.024 0.000 0.808 562 S HN 1.836 nan 8.310 nan 0.000 0.478 566 G N 2.896 111.689 108.800 -0.011 0.000 2.258 566 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.233 566 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.233 566 G C 0.371 175.263 174.900 -0.014 0.000 1.006 566 G CA 0.793 45.886 45.100 -0.011 0.000 0.620 566 G HN 1.971 nan 8.290 nan 0.000 0.511 567 S N -0.575 115.115 115.700 -0.017 0.000 2.722 567 S HA 0.681 5.151 4.470 -0.000 0.000 0.292 567 S C 0.105 174.694 174.600 -0.019 0.000 1.135 567 S CA -0.142 58.046 58.200 -0.020 0.000 1.003 567 S CB 1.793 64.976 63.200 -0.028 0.000 1.067 567 S HN 0.135 nan 8.310 nan 0.000 0.546 568 N N -0.062 118.627 118.700 -0.019 0.000 2.453 568 N HA 0.341 5.080 4.740 -0.000 0.000 0.270 568 N C 0.011 175.509 175.510 -0.021 0.000 1.195 568 N CA 0.011 53.051 53.050 -0.017 0.000 0.902 568 N CB -0.133 38.346 38.487 -0.014 0.000 1.186 568 N HN 0.399 nan 8.380 nan 0.000 0.510 569 L N -0.187 121.019 121.223 -0.028 0.000 2.446 569 L HA 0.202 4.542 4.340 -0.000 0.000 0.219 569 L C 2.349 179.200 176.870 -0.033 0.000 1.116 569 L CA 0.611 55.429 54.840 -0.037 0.000 0.844 569 L CB -0.299 41.726 42.059 -0.056 0.000 0.970 569 L HN 0.226 nan 8.230 nan 0.000 0.457 570 R N 0.337 120.823 120.500 -0.023 0.000 2.127 570 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 570 R C 1.025 177.320 176.300 -0.007 0.000 1.134 570 R CA 1.465 57.558 56.100 -0.013 0.000 0.975 570 R CB -0.092 30.204 30.300 -0.006 0.000 0.865 570 R HN 0.328 nan 8.270 nan 0.000 0.447 571 D N -0.506 119.888 120.400 -0.009 0.000 2.305 571 D HA -0.062 4.578 4.640 -0.000 0.000 0.206 571 D C 1.585 177.882 176.300 -0.004 0.000 0.974 571 D CA 0.481 54.478 54.000 -0.005 0.000 0.871 571 D CB 0.101 40.898 40.800 -0.005 0.000 0.947 571 D HN 0.366 nan 8.370 nan 0.000 0.516 572 E N 0.257 120.451 120.200 -0.010 0.000 2.107 572 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 572 E C 2.067 178.662 176.600 -0.010 0.000 0.982 572 E CA 0.160 56.554 56.400 -0.011 0.000 0.809 572 E CB 0.157 29.846 29.700 -0.018 0.000 0.756 572 E HN 0.194 nan 8.360 nan 0.000 0.459 573 L N 0.504 121.718 121.223 -0.015 0.000 1.988 573 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 573 L C 2.374 179.257 176.870 0.022 0.000 1.071 573 L CA 1.082 55.915 54.840 -0.012 0.000 0.744 573 L CB -0.222 41.818 42.059 -0.033 0.000 0.893 573 L HN 0.087 nan 8.230 nan 0.000 0.433 574 V N 0.078 120.007 119.914 0.025 0.000 2.469 574 V HA -0.308 3.812 4.120 -0.000 0.000 0.251 574 V C 2.412 178.530 176.094 0.041 0.000 1.064 574 V CA 2.134 64.460 62.300 0.043 0.000 1.066 574 V CB -0.628 31.211 31.823 0.027 0.000 0.667 574 V HN 0.561 nan 8.190 nan 0.000 0.461 575 E N 0.381 120.595 120.200 0.023 0.000 2.046 575 E HA -0.204 4.146 4.350 -0.000 0.000 0.190 575 E C 2.228 178.838 176.600 0.016 0.000 0.982 575 E CA 1.075 57.485 56.400 0.017 0.000 0.800 575 E CB -0.026 29.678 29.700 0.007 0.000 0.756 575 E HN 0.561 nan 8.360 nan 0.000 0.449 576 K N 0.001 120.408 120.400 0.012 0.000 2.217 576 K HA -0.046 4.274 4.320 -0.000 0.000 0.202 576 K C 2.034 178.642 176.600 0.013 0.000 1.051 576 K CA 0.805 57.093 56.287 0.002 0.000 0.952 576 K CB 0.233 32.731 32.500 -0.004 0.000 0.736 576 K HN 0.034 nan 8.250 nan 0.000 0.453 577 V N 1.932 121.882 119.914 0.061 0.000 2.323 577 V HA -0.225 3.895 4.120 -0.000 0.000 0.244 577 V C 1.852 178.002 176.094 0.094 0.000 1.041 577 V CA 1.552 63.928 62.300 0.127 0.000 1.025 577 V CB -0.403 31.571 31.823 0.252 0.000 0.656 577 V HN 0.357 nan 8.190 nan 0.000 0.451 578 N N 0.242 118.992 118.700 0.083 0.000 2.166 578 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 578 N C 1.909 177.434 175.510 0.025 0.000 1.019 578 N CA 1.444 54.537 53.050 0.071 0.000 0.856 578 N CB -0.239 38.285 38.487 0.062 0.000 0.993 578 N HN 0.498 nan 8.380 nan 0.000 0.426 579 K N 0.564 120.962 120.400 -0.003 0.000 2.057 579 K HA -0.063 4.257 4.320 -0.000 0.000 0.207 579 K C 1.657 178.204 176.600 -0.088 0.000 1.049 579 K CA 1.281 57.547 56.287 -0.033 0.000 0.931 579 K CB -0.003 32.475 32.500 -0.035 0.000 0.714 579 K HN 0.024 nan 8.250 nan 0.000 0.440 580 T N 1.801 116.274 114.554 -0.134 0.000 2.777 580 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 580 T C 1.806 176.360 174.700 -0.243 0.000 1.040 580 T CA 1.112 63.034 62.100 -0.297 0.000 1.141 580 T CB -0.084 68.551 68.868 -0.389 0.000 0.868 580 T HN 0.142 nan 8.240 nan 0.000 0.444 581 L N 0.840 121.989 121.223 -0.123 0.000 1.989 581 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 581 L C 3.076 179.894 176.870 -0.086 0.000 1.071 581 L CA 1.447 56.225 54.840 -0.104 0.000 0.749 581 L CB -0.739 41.319 42.059 -0.000 0.000 0.890 581 L HN 0.232 nan 8.230 nan 0.000 0.431 582 A N -0.107 122.692 122.820 -0.035 0.000 1.908 582 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 582 A C 2.423 179.971 177.584 -0.059 0.000 1.181 582 A CA 2.137 54.159 52.037 -0.024 0.000 0.627 582 A CB -0.540 18.462 19.000 0.004 0.000 0.818 582 A HN 0.369 nan 8.150 nan 0.000 0.445 583 K N -0.894 119.458 120.400 -0.080 0.000 2.057 583 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 583 K C 2.282 178.847 176.600 -0.059 0.000 1.050 583 K CA 1.690 57.933 56.287 -0.074 0.000 0.935 583 K CB -0.118 32.319 32.500 -0.106 0.000 0.715 583 K HN 0.317 nan 8.250 nan 0.000 0.439 584 R N 0.480 120.936 120.500 -0.074 0.000 2.080 584 R HA 0.035 4.374 4.340 -0.000 0.000 0.222 584 R C 2.153 178.361 176.300 -0.153 0.000 1.107 584 R CA 0.722 56.803 56.100 -0.033 0.000 0.980 584 R CB -0.648 29.701 30.300 0.082 0.000 0.879 584 R HN 0.123 nan 8.270 nan 0.000 0.439 585 L N 1.368 122.469 121.223 -0.203 0.000 2.081 585 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 585 L C 1.894 178.620 176.870 -0.241 0.000 1.080 585 L CA 1.794 56.459 54.840 -0.293 0.000 0.754 585 L CB -1.084 40.809 42.059 -0.277 0.000 0.893 585 L HN 0.220 nan 8.230 nan 0.000 0.433 586 E N -0.405 119.700 120.200 -0.157 0.000 2.204 586 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 586 E C 1.620 178.138 176.600 -0.137 0.000 0.989 586 E CA 0.730 57.054 56.400 -0.126 0.000 0.824 586 E CB -0.014 29.639 29.700 -0.079 0.000 0.756 586 E HN 0.585 nan 8.360 nan 0.000 0.477 587 Q N -1.431 118.276 119.800 -0.154 0.000 2.189 587 Q HA 0.198 4.538 4.340 -0.000 0.000 0.221 587 Q C 0.482 176.334 176.000 -0.247 0.000 0.848 587 Q CA 0.180 55.893 55.803 -0.149 0.000 1.007 587 Q CB 0.964 29.641 28.738 -0.101 0.000 1.116 587 Q HN -0.068 nan 8.270 nan 0.000 0.481 588 T N 0.691 115.037 114.554 -0.347 0.000 3.209 588 T HA 0.011 4.361 4.350 -0.000 0.000 0.295 588 T C 0.745 175.167 174.700 -0.463 0.000 0.977 588 T CA -0.122 61.606 62.100 -0.618 0.000 0.922 588 T CB 0.043 68.431 68.868 -0.800 0.000 1.152 588 T HN 0.383 nan 8.240 nan 0.000 0.527 589 N N 1.189 119.723 118.700 -0.277 0.000 2.626 589 N HA -0.032 4.708 4.740 -0.000 0.000 0.193 589 N C 1.092 176.535 175.510 -0.112 0.000 1.213 589 N CA 0.630 53.561 53.050 -0.198 0.000 0.914 589 N CB -0.224 38.167 38.487 -0.159 0.000 0.994 589 N HN 0.431 nan 8.380 nan 0.000 0.447 590 S N -2.294 113.373 115.700 -0.055 0.000 2.559 590 S HA 0.200 4.669 4.470 -0.000 0.000 0.226 590 S C 0.147 174.858 174.600 0.185 0.000 1.000 590 S CA -0.709 57.523 58.200 0.052 0.000 0.948 590 S CB -0.119 63.127 63.200 0.076 0.000 0.870 590 S HN 0.049 nan 8.310 nan 0.000 0.497 591 Y N 2.577 122.815 120.300 -0.103 0.000 2.240 591 Y HA 0.448 4.998 4.550 -0.000 0.000 0.341 591 Y C 0.210 176.058 175.900 -0.086 0.000 1.326 591 Y CA -1.484 56.562 58.100 -0.091 0.000 1.569 591 Y CB -0.003 38.390 38.460 -0.111 0.000 1.426 591 Y HN 0.080 nan 8.280 nan 0.000 0.587 592 D N 1.582 122.039 120.400 0.095 0.000 2.557 592 D HA 0.230 4.870 4.640 -0.000 0.000 0.236 592 D C 0.882 177.225 176.300 0.072 0.000 1.154 592 D CA -0.107 53.919 54.000 0.043 0.000 0.985 592 D CB 0.164 40.971 40.800 0.011 0.000 1.010 592 D HN 0.465 nan 8.370 nan 0.000 0.516 593 L N 1.973 123.232 121.223 0.059 0.000 3.586 593 L HA -0.417 3.923 4.340 -0.000 0.000 0.053 593 L C 2.026 179.027 176.870 0.220 0.000 4.224 593 L CA 2.619 57.534 54.840 0.126 0.000 0.847 593 L CB -1.713 40.432 42.059 0.142 0.000 3.419 593 L HN 0.284 nan 8.230 nan 0.000 0.712 594 V N 0.767 120.813 119.914 0.220 0.000 2.233 594 V HA -0.280 3.840 4.120 -0.000 0.000 0.252 594 V C -0.124 176.159 176.094 0.315 0.000 1.063 594 V CA 3.068 65.533 62.300 0.276 0.000 1.032 594 V CB -1.470 30.479 31.823 0.209 0.000 0.645 594 V HN 0.648 nan 8.190 nan 0.000 0.446 595 P HA -0.127 nan 4.420 nan 0.000 0.218 595 P C 1.852 179.306 177.300 0.255 0.000 1.149 595 P CA 1.753 64.969 63.100 0.194 0.000 0.817 595 P CB -0.237 31.494 31.700 0.052 0.000 0.785 596 R N -1.074 119.543 120.500 0.195 0.000 2.080 596 R HA -0.169 4.171 4.340 -0.000 0.000 0.236 596 R C 2.019 178.224 176.300 -0.159 0.000 1.137 596 R CA 1.978 58.075 56.100 -0.005 0.000 0.943 596 R CB -0.859 29.271 30.300 -0.282 0.000 0.846 596 R HN 0.203 nan 8.270 nan 0.000 0.431 597 W N -0.416 120.915 121.300 0.050 0.000 2.402 597 W HA -0.126 4.534 4.660 -0.000 0.000 0.286 597 W C 2.368 178.929 176.519 0.069 0.000 1.221 597 W CA 0.591 57.949 57.345 0.022 0.000 1.257 597 W CB -0.143 29.320 29.460 0.004 0.000 1.120 597 W HN 0.296 nan 8.180 nan 0.000 0.551 598 H N -0.742 118.524 119.070 0.327 0.000 2.428 598 H HA -0.114 4.442 4.556 -0.000 0.000 0.296 598 H C 1.473 176.923 175.328 0.204 0.000 1.062 598 H CA 1.957 58.156 56.048 0.252 0.000 1.350 598 H CB -0.381 29.481 29.762 0.167 0.000 1.403 598 H HN 0.258 nan 8.280 nan 0.000 0.533 599 D N 0.384 120.937 120.400 0.255 0.000 2.091 599 D HA -0.072 4.567 4.640 -0.000 0.000 0.199 599 D C 2.365 178.729 176.300 0.107 0.000 0.980 599 D CA 1.357 55.459 54.000 0.169 0.000 0.831 599 D CB -0.020 40.877 40.800 0.161 0.000 0.987 599 D HN 0.208 nan 8.370 nan 0.000 0.460 600 A N -0.216 122.594 122.820 -0.016 0.000 1.851 600 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 600 A C 2.188 179.729 177.584 -0.070 0.000 1.195 600 A CA 1.465 53.423 52.037 -0.132 0.000 0.622 600 A CB -1.435 17.327 19.000 -0.396 0.000 0.831 600 A HN 0.416 nan 8.150 nan 0.000 0.444 601 F N -0.059 119.993 119.950 0.169 0.000 2.365 601 F HA -0.101 4.426 4.527 -0.000 0.000 0.300 601 F C 2.866 178.760 175.800 0.156 0.000 1.090 601 F CA 1.112 59.175 58.000 0.105 0.000 1.408 601 F CB -0.095 38.859 39.000 -0.077 0.000 1.060 601 F HN 0.276 nan 8.300 nan 0.000 0.534 602 S N 0.039 115.927 115.700 0.312 0.000 2.368 602 S HA -0.235 4.235 4.470 -0.000 0.000 0.225 602 S C 2.085 176.878 174.600 0.322 0.000 1.030 602 S CA 1.198 59.563 58.200 0.275 0.000 0.999 602 S CB -0.582 62.741 63.200 0.206 0.000 0.844 602 S HN 0.492 nan 8.310 nan 0.000 0.459 603 F N 1.523 121.543 119.950 0.116 0.000 2.186 603 F HA -0.033 4.494 4.527 -0.000 0.000 0.299 603 F C 2.428 178.314 175.800 0.143 0.000 1.090 603 F CA 0.610 58.666 58.000 0.093 0.000 1.307 603 F CB -0.319 38.701 39.000 0.033 0.000 1.019 603 F HN 0.362 nan 8.300 nan 0.000 0.489 604 A N 0.574 123.604 122.820 0.351 0.000 1.908 604 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 604 A C 2.304 180.170 177.584 0.469 0.000 1.181 604 A CA 1.726 53.972 52.037 0.348 0.000 0.627 604 A CB -1.382 17.903 19.000 0.475 0.000 0.818 604 A HN 0.466 nan 8.150 nan 0.000 0.445 605 A N -0.545 122.589 122.820 0.523 0.000 1.986 605 A HA 0.041 4.361 4.320 -0.000 0.000 0.220 605 A C 2.376 180.152 177.584 0.319 0.000 1.171 605 A CA 2.036 54.365 52.037 0.486 0.000 0.640 605 A CB -1.367 17.878 19.000 0.409 0.000 0.811 605 A HN 0.807 nan 8.150 nan 0.000 0.451 606 G N -1.514 107.477 108.800 0.319 0.000 2.422 606 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.218 606 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.218 606 G C 1.510 176.529 174.900 0.199 0.000 1.140 606 G CA 1.560 46.817 45.100 0.261 0.000 0.775 606 G HN 0.446 nan 8.290 nan 0.000 0.545 607 T N 0.459 115.127 114.554 0.190 0.000 2.812 607 T HA -0.101 4.249 4.350 -0.000 0.000 0.264 607 T C 2.594 177.329 174.700 0.058 0.000 1.042 607 T CA 1.342 63.502 62.100 0.100 0.000 1.140 607 T CB -0.268 68.639 68.868 0.065 0.000 0.870 607 T HN 0.227 nan 8.240 nan 0.000 0.445 608 V N 1.068 121.023 119.914 0.069 0.000 2.343 608 V HA -0.100 4.020 4.120 -0.000 0.000 0.247 608 V C 2.312 178.357 176.094 -0.082 0.000 1.051 608 V CA 1.477 63.737 62.300 -0.066 0.000 1.036 608 V CB -0.958 30.771 31.823 -0.155 0.000 0.654 608 V HN 0.319 nan 8.190 nan 0.000 0.451 609 V N 0.694 120.606 119.914 -0.002 0.000 2.546 609 V HA -0.276 3.844 4.120 -0.000 0.000 0.254 609 V C 2.645 178.731 176.094 -0.014 0.000 1.076 609 V CA 2.644 64.941 62.300 -0.005 0.000 1.087 609 V CB -0.677 31.174 31.823 0.048 0.000 0.674 609 V HN 0.803 nan 8.190 nan 0.000 0.470 610 E N -0.052 120.147 120.200 -0.001 0.000 2.060 610 E HA -0.126 4.224 4.350 -0.000 0.000 0.189 610 E C 2.180 178.763 176.600 -0.029 0.000 0.974 610 E CA 1.470 57.868 56.400 -0.003 0.000 0.808 610 E CB 0.176 29.888 29.700 0.019 0.000 0.768 610 E HN 0.539 nan 8.360 nan 0.000 0.453 611 V N -0.731 119.155 119.914 -0.047 0.000 2.591 611 V HA -0.032 4.088 4.120 -0.000 0.000 0.249 611 V C 1.600 177.638 176.094 -0.094 0.000 1.053 611 V CA 0.785 63.048 62.300 -0.062 0.000 1.068 611 V CB -0.086 31.700 31.823 -0.061 0.000 0.689 611 V HN 0.095 nan 8.190 nan 0.000 0.462 612 L N 2.068 123.207 121.223 -0.140 0.000 2.848 612 L HA 0.329 4.669 4.340 -0.000 0.000 0.240 612 L C 2.309 179.101 176.870 -0.131 0.000 1.232 612 L CA 0.993 55.726 54.840 -0.179 0.000 1.031 612 L CB -0.217 41.642 42.059 -0.334 0.000 1.338 612 L HN 0.545 nan 8.230 nan 0.000 0.509 613 S N -1.453 114.197 115.700 -0.085 0.000 2.383 613 S HA -0.219 4.251 4.470 -0.000 0.000 0.229 613 S C 2.035 176.605 174.600 -0.050 0.000 1.030 613 S CA 1.486 59.653 58.200 -0.056 0.000 1.002 613 S CB -0.565 62.615 63.200 -0.033 0.000 0.829 613 S HN 0.557 nan 8.310 nan 0.000 0.467 614 S N 0.557 116.225 115.700 -0.052 0.000 2.522 614 S HA 0.095 4.565 4.470 -0.000 0.000 0.227 614 S C 1.000 175.571 174.600 -0.048 0.000 0.986 614 S CA 0.319 58.493 58.200 -0.042 0.000 0.929 614 S CB -0.924 62.254 63.200 -0.037 0.000 0.769 614 S HN 0.484 nan 8.310 nan 0.000 0.529 615 T N 2.871 117.382 114.554 -0.071 0.000 2.619 615 T HA 0.218 4.568 4.350 -0.000 0.000 0.330 615 T C 1.199 175.868 174.700 -0.053 0.000 1.037 615 T CA 0.663 62.718 62.100 -0.075 0.000 1.005 615 T CB 0.482 69.272 68.868 -0.131 0.000 1.084 615 T HN 0.557 nan 8.240 nan 0.000 0.521 616 S N -0.678 114.996 115.700 -0.042 0.000 2.749 616 S HA 0.323 4.793 4.470 -0.000 0.000 0.246 616 S C 0.217 174.811 174.600 -0.011 0.000 1.023 616 S CA -0.530 57.658 58.200 -0.020 0.000 1.012 616 S CB -0.450 62.744 63.200 -0.009 0.000 0.942 616 S HN 0.432 nan 8.310 nan 0.000 0.531 617 L N 3.354 124.558 121.223 -0.031 0.000 2.461 617 L HA 0.297 4.637 4.340 -0.000 0.000 0.272 617 L C 0.825 177.707 176.870 0.020 0.000 1.197 617 L CA -0.153 54.684 54.840 -0.005 0.000 0.836 617 L CB 0.756 42.772 42.059 -0.072 0.000 1.105 617 L HN 0.483 nan 8.230 nan 0.000 0.477 618 S N 2.722 118.458 115.700 0.059 0.000 2.554 618 S HA 0.353 4.823 4.470 -0.000 0.000 0.278 618 S C 1.010 175.662 174.600 0.086 0.000 1.242 618 S CA -0.946 57.292 58.200 0.063 0.000 1.051 618 S CB 1.151 64.392 63.200 0.068 0.000 0.986 618 S HN 0.571 nan 8.310 nan 0.000 0.502 619 L N 1.539 122.808 121.223 0.075 0.000 2.349 619 L HA -0.102 4.238 4.340 -0.000 0.000 0.220 619 L C 2.632 179.571 176.870 0.115 0.000 1.130 619 L CA 1.338 56.234 54.840 0.093 0.000 0.791 619 L CB -0.999 41.105 42.059 0.075 0.000 0.918 619 L HN 0.925 nan 8.230 nan 0.000 0.444 620 A N -0.306 122.578 122.820 0.107 0.000 2.123 620 A HA 0.208 4.528 4.320 -0.000 0.000 0.214 620 A C 2.463 180.134 177.584 0.145 0.000 1.152 620 A CA 1.058 53.161 52.037 0.111 0.000 0.728 620 A CB -0.173 18.880 19.000 0.088 0.000 0.814 620 A HN 0.352 nan 8.150 nan 0.000 0.464 621 A N -0.386 122.539 122.820 0.175 0.000 1.861 621 A HA 0.118 4.438 4.320 -0.000 0.000 0.212 621 A C 2.041 179.824 177.584 0.332 0.000 1.199 621 A CA 1.399 53.583 52.037 0.245 0.000 0.613 621 A CB -0.855 18.297 19.000 0.254 0.000 0.846 621 A HN 0.344 nan 8.150 nan 0.000 0.446 622 V N 1.236 121.361 119.914 0.352 0.000 2.568 622 V HA -0.250 3.870 4.120 -0.000 0.000 0.253 622 V C 2.321 178.658 176.094 0.404 0.000 1.072 622 V CA 2.309 64.889 62.300 0.467 0.000 1.084 622 V CB -1.211 30.796 31.823 0.307 0.000 0.676 622 V HN 0.744 nan 8.190 nan 0.000 0.469 623 N N 0.490 119.344 118.700 0.256 0.000 2.250 623 N HA -0.048 4.692 4.740 -0.000 0.000 0.181 623 N C 1.764 177.349 175.510 0.125 0.000 1.017 623 N CA 1.246 54.407 53.050 0.186 0.000 0.866 623 N CB -0.250 38.322 38.487 0.141 0.000 0.985 623 N HN 0.370 nan 8.380 nan 0.000 0.429 624 A N -0.550 122.346 122.820 0.126 0.000 1.933 624 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 624 A C 2.032 179.536 177.584 -0.134 0.000 1.175 624 A CA 1.297 53.371 52.037 0.062 0.000 0.628 624 A CB -1.238 17.853 19.000 0.152 0.000 0.814 624 A HN 0.681 nan 8.150 nan 0.000 0.444 625 W N 1.168 122.215 121.300 -0.420 0.000 2.380 625 W HA -0.141 4.519 4.660 -0.000 0.000 0.317 625 W C 2.132 178.385 176.519 -0.444 0.000 1.196 625 W CA 1.996 58.851 57.345 -0.817 0.000 1.307 625 W CB -0.165 28.892 29.460 -0.671 0.000 1.157 625 W HN 0.211 nan 8.180 nan 0.000 0.483 626 K N 0.563 120.772 120.400 -0.319 0.000 2.127 626 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 626 K C 1.571 177.924 176.600 -0.413 0.000 1.047 626 K CA 2.338 58.370 56.287 -0.425 0.000 0.927 626 K CB -0.799 31.733 32.500 0.054 0.000 0.716 626 K HN 0.270 nan 8.250 nan 0.000 0.450 627 V N 0.822 120.594 119.914 -0.235 0.000 2.591 627 V HA -0.086 4.034 4.120 -0.000 0.000 0.249 627 V C 2.558 178.503 176.094 -0.247 0.000 1.053 627 V CA 1.463 63.684 62.300 -0.132 0.000 1.068 627 V CB -0.464 31.371 31.823 0.019 0.000 0.689 627 V HN 0.429 nan 8.190 nan 0.000 0.462 628 A N 0.229 122.833 122.820 -0.360 0.000 1.930 628 A HA 0.079 4.399 4.320 -0.000 0.000 0.215 628 A C 2.411 179.714 177.584 -0.468 0.000 1.176 628 A CA 1.588 53.439 52.037 -0.310 0.000 0.632 628 A CB -0.611 18.255 19.000 -0.223 0.000 0.819 628 A HN 0.498 nan 8.150 nan 0.000 0.445 629 A N 0.115 122.410 122.820 -0.874 0.000 1.877 629 A HA 0.151 4.471 4.320 -0.000 0.000 0.216 629 A C 2.496 179.529 177.584 -0.919 0.000 1.186 629 A CA 2.116 53.431 52.037 -1.204 0.000 0.620 629 A CB -1.020 16.519 19.000 -2.435 0.000 0.822 629 A HN 1.011 nan 8.150 nan 0.000 0.443 630 A N -0.274 122.108 122.820 -0.729 0.000 1.930 630 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 630 A C 1.914 179.344 177.584 -0.258 0.000 1.175 630 A CA 1.573 53.469 52.037 -0.234 0.000 0.627 630 A CB -0.504 18.243 19.000 -0.421 0.000 0.815 630 A HN 0.639 nan 8.150 nan 0.000 0.443 631 E N 0.295 120.342 120.200 -0.255 0.000 2.150 631 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 631 E C 2.368 178.891 176.600 -0.128 0.000 0.985 631 E CA 1.348 57.669 56.400 -0.132 0.000 0.814 631 E CB -0.167 29.489 29.700 -0.074 0.000 0.752 631 E HN 0.813 nan 8.360 nan 0.000 0.466 632 S N 1.116 116.724 115.700 -0.153 0.000 2.371 632 S HA -0.038 4.431 4.470 -0.000 0.000 0.224 632 S C 2.325 176.848 174.600 -0.128 0.000 1.029 632 S CA 0.726 58.874 58.200 -0.087 0.000 0.978 632 S CB -0.181 62.993 63.200 -0.043 0.000 0.833 632 S HN 0.256 nan 8.310 nan 0.000 0.466 633 A N 2.958 125.602 122.820 -0.293 0.000 1.908 633 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 633 A C 2.323 179.481 177.584 -0.709 0.000 1.181 633 A CA 1.660 53.177 52.037 -0.867 0.000 0.627 633 A CB -1.050 16.898 19.000 -1.753 0.000 0.818 633 A HN 0.851 nan 8.150 nan 0.000 0.445 634 I N -3.216 117.078 120.570 -0.460 0.000 3.111 634 I HA -0.018 4.152 4.170 -0.000 0.000 0.272 634 I C 1.888 177.968 176.117 -0.062 0.000 1.268 634 I CA 1.298 62.487 61.300 -0.185 0.000 1.467 634 I CB -0.278 37.721 38.000 -0.001 0.000 1.087 634 I HN 0.087 nan 8.210 nan 0.000 0.467 635 S N 1.567 117.231 115.700 -0.059 0.000 2.356 635 S HA 0.098 4.568 4.470 -0.000 0.000 0.219 635 S C 1.939 176.559 174.600 0.033 0.000 1.036 635 S CA 0.541 58.742 58.200 0.002 0.000 0.965 635 S CB -0.295 62.904 63.200 -0.002 0.000 0.864 635 S HN 0.399 nan 8.310 nan 0.000 0.471 636 L N 1.320 122.563 121.223 0.034 0.000 1.971 636 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 636 L C 2.894 179.872 176.870 0.180 0.000 1.072 636 L CA 1.985 56.885 54.840 0.100 0.000 0.758 636 L CB -0.823 41.287 42.059 0.085 0.000 0.889 636 L HN 0.387 nan 8.230 nan 0.000 0.433 637 T N -0.862 113.812 114.554 0.201 0.000 2.737 637 T HA -0.274 4.076 4.350 -0.000 0.000 0.269 637 T C 1.893 176.645 174.700 0.086 0.000 1.040 637 T CA 1.678 63.839 62.100 0.102 0.000 1.142 637 T CB -0.120 68.637 68.868 -0.185 0.000 0.861 637 T HN 0.339 nan 8.240 nan 0.000 0.456 638 R N -0.066 120.483 120.500 0.082 0.000 2.115 638 R HA -0.041 4.299 4.340 -0.000 0.000 0.230 638 R C 2.625 179.004 176.300 0.132 0.000 1.111 638 R CA 1.458 57.624 56.100 0.110 0.000 0.976 638 R CB -0.235 30.127 30.300 0.102 0.000 0.870 638 R HN 0.436 nan 8.270 nan 0.000 0.445 639 Q N 0.818 120.689 119.800 0.120 0.000 1.990 639 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 639 Q C 1.975 178.061 176.000 0.143 0.000 0.980 639 Q CA 1.773 57.648 55.803 0.121 0.000 0.832 639 Q CB -0.375 28.422 28.738 0.099 0.000 0.897 639 Q HN 0.059 nan 8.270 nan 0.000 0.427 640 V N 1.403 121.408 119.914 0.152 0.000 2.250 640 V HA -0.388 3.732 4.120 -0.000 0.000 0.253 640 V C 2.491 178.685 176.094 0.168 0.000 1.065 640 V CA 2.583 64.980 62.300 0.161 0.000 1.039 640 V CB -0.708 31.229 31.823 0.190 0.000 0.647 640 V HN 0.411 nan 8.190 nan 0.000 0.446 641 R N -0.503 120.094 120.500 0.162 0.000 2.091 641 R HA -0.236 4.104 4.340 -0.000 0.000 0.238 641 R C 2.351 178.875 176.300 0.374 0.000 1.136 641 R CA 1.848 58.082 56.100 0.224 0.000 0.959 641 R CB -0.363 30.073 30.300 0.227 0.000 0.856 641 R HN 0.478 nan 8.270 nan 0.000 0.437 642 E N -0.039 120.340 120.200 0.299 0.000 2.106 642 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 642 E C 2.002 178.750 176.600 0.246 0.000 0.984 642 E CA 1.850 58.429 56.400 0.299 0.000 0.806 642 E CB -0.111 29.717 29.700 0.214 0.000 0.750 642 E HN 0.418 nan 8.360 nan 0.000 0.458 643 T N -1.755 112.914 114.554 0.191 0.000 2.867 643 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 643 T C 1.878 176.650 174.700 0.121 0.000 1.057 643 T CA 1.010 63.193 62.100 0.138 0.000 1.136 643 T CB -0.542 68.395 68.868 0.115 0.000 0.874 643 T HN 0.212 nan 8.240 nan 0.000 0.466 644 F N 0.876 120.809 119.950 -0.028 0.000 2.051 644 F HA 0.107 4.634 4.527 -0.000 0.000 0.296 644 F C 1.520 177.199 175.800 -0.202 0.000 1.122 644 F CA 0.959 58.846 58.000 -0.189 0.000 1.201 644 F CB -0.547 38.218 39.000 -0.391 0.000 0.978 644 F HN 0.176 nan 8.300 nan 0.000 0.472 645 W N -0.022 121.377 121.300 0.166 0.000 3.096 645 W HA 0.049 4.709 4.660 -0.000 0.000 0.241 645 W C 2.421 178.930 176.519 -0.016 0.000 1.316 645 W CA 0.555 57.925 57.345 0.041 0.000 1.520 645 W CB -0.352 29.203 29.460 0.158 0.000 1.128 645 W HN 0.047 nan 8.180 nan 0.000 0.707 646 S N -0.492 115.277 115.700 0.116 0.000 2.514 646 S HA 0.380 4.849 4.470 -0.000 0.000 0.223 646 S C 1.116 175.717 174.600 0.002 0.000 1.046 646 S CA 0.105 58.354 58.200 0.082 0.000 0.914 646 S CB -0.257 62.997 63.200 0.090 0.000 0.807 646 S HN -0.023 nan 8.310 nan 0.000 0.497 647 A N 1.477 124.249 122.820 -0.080 0.000 2.302 647 A HA 0.806 5.126 4.320 -0.000 0.000 0.285 647 A C 0.452 177.957 177.584 -0.132 0.000 1.105 647 A CA -0.070 51.906 52.037 -0.101 0.000 0.816 647 A CB 0.330 19.257 19.000 -0.123 0.000 1.067 647 A HN 0.651 nan 8.150 nan 0.000 0.489 648 A N 0.825 123.597 122.820 -0.080 0.000 2.346 648 A HA 0.456 4.776 4.320 -0.000 0.000 0.252 648 A C 1.437 178.969 177.584 -0.088 0.000 1.089 648 A CA 0.339 52.337 52.037 -0.064 0.000 0.797 648 A CB -0.237 18.745 19.000 -0.029 0.000 1.047 648 A HN 1.136 nan 8.150 nan 0.000 0.494 649 S N 0.031 115.696 115.700 -0.058 0.000 2.383 649 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 649 S C 1.820 176.443 174.600 0.038 0.000 1.030 649 S CA 1.983 60.168 58.200 -0.025 0.000 1.002 649 S CB -0.743 62.445 63.200 -0.020 0.000 0.829 649 S HN 1.012 nan 8.310 nan 0.000 0.467 650 T N 0.508 115.073 114.554 0.019 0.000 3.051 650 T HA -0.008 4.342 4.350 -0.000 0.000 0.269 650 T C 1.207 175.917 174.700 0.016 0.000 1.127 650 T CA 1.007 63.126 62.100 0.032 0.000 1.107 650 T CB -0.348 68.530 68.868 0.017 0.000 0.898 650 T HN 0.487 nan 8.240 nan 0.000 0.517 651 S N 0.043 115.737 115.700 -0.011 0.000 2.835 651 S HA 0.424 4.894 4.470 -0.000 0.000 0.248 651 S C 0.173 174.744 174.600 -0.048 0.000 1.070 651 S CA -0.699 57.484 58.200 -0.027 0.000 1.090 651 S CB 0.181 63.362 63.200 -0.032 0.000 0.978 651 S HN 0.328 nan 8.310 nan 0.000 0.510 652 S N 2.188 117.869 115.700 -0.032 0.000 2.564 652 S HA 0.353 4.823 4.470 -0.000 0.000 0.278 652 S C -1.680 172.924 174.600 0.008 0.000 1.333 652 S CA -1.010 57.167 58.200 -0.038 0.000 1.048 652 S CB 0.617 63.856 63.200 0.065 0.000 0.900 652 S HN 0.196 nan 8.310 nan 0.000 0.505 653 P HA 0.024 nan 4.420 nan 0.000 0.228 653 P C 0.968 178.338 177.300 0.116 0.000 1.151 653 P CA 0.940 64.106 63.100 0.110 0.000 0.770 653 P CB -0.008 31.843 31.700 0.252 0.000 0.786 654 A N -0.289 122.593 122.820 0.104 0.000 1.897 654 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 654 A C 2.011 179.529 177.584 -0.110 0.000 1.181 654 A CA 1.029 53.104 52.037 0.062 0.000 0.620 654 A CB -1.476 17.411 19.000 -0.188 0.000 0.821 654 A HN 0.132 nan 8.150 nan 0.000 0.443 655 L N 0.196 121.298 121.223 -0.202 0.000 2.349 655 L HA -0.147 4.193 4.340 -0.000 0.000 0.220 655 L C 2.166 178.923 176.870 -0.188 0.000 1.130 655 L CA 1.155 55.889 54.840 -0.178 0.000 0.791 655 L CB -0.381 41.613 42.059 -0.109 0.000 0.918 655 L HN 0.295 nan 8.230 nan 0.000 0.444 656 S N -1.698 113.826 115.700 -0.292 0.000 2.527 656 S HA 0.003 4.473 4.470 -0.000 0.000 0.222 656 S C 1.113 175.300 174.600 -0.690 0.000 0.985 656 S CA 0.466 58.364 58.200 -0.504 0.000 0.921 656 S CB 0.042 62.831 63.200 -0.685 0.000 0.772 656 S HN 0.427 nan 8.310 nan 0.000 0.529 657 Y N -0.337 119.808 120.300 -0.258 0.000 2.585 657 Y HA 0.443 4.993 4.550 -0.000 0.000 0.272 657 Y C 0.383 176.081 175.900 -0.337 0.000 1.119 657 Y CA -1.059 56.753 58.100 -0.480 0.000 1.255 657 Y CB -0.195 37.570 38.460 -1.158 0.000 1.284 657 Y HN 0.057 nan 8.280 nan 0.000 0.499 658 L N 1.945 123.176 121.223 0.014 0.000 2.514 658 L HA 0.056 4.396 4.340 -0.000 0.000 0.280 658 L C 0.935 177.857 176.870 0.088 0.000 1.223 658 L CA -0.250 54.689 54.840 0.165 0.000 0.864 658 L CB 0.290 42.397 42.059 0.080 0.000 1.118 658 L HN 0.263 nan 8.230 nan 0.000 0.494 659 S N 4.394 120.170 115.700 0.127 0.000 2.584 659 S HA 0.219 4.689 4.470 -0.000 0.000 0.270 659 S C -1.728 172.904 174.600 0.054 0.000 1.346 659 S CA -0.754 57.498 58.200 0.086 0.000 1.018 659 S CB 0.466 63.727 63.200 0.101 0.000 0.899 659 S HN 0.591 nan 8.310 nan 0.000 0.542 660 P HA -0.079 nan 4.420 nan 0.000 0.217 660 P C 1.388 178.708 177.300 0.033 0.000 1.148 660 P CA 1.277 64.391 63.100 0.024 0.000 0.828 660 P CB 0.091 31.799 31.700 0.014 0.000 0.783 661 R N -1.121 119.400 120.500 0.035 0.000 2.066 661 R HA -0.005 4.334 4.340 -0.000 0.000 0.224 661 R C 2.313 178.639 176.300 0.044 0.000 1.122 661 R CA 1.914 58.032 56.100 0.030 0.000 0.974 661 R CB -1.373 28.937 30.300 0.017 0.000 0.871 661 R HN 0.264 nan 8.270 nan 0.000 0.435 662 T N -1.273 113.316 114.554 0.057 0.000 3.051 662 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 662 T C 1.778 176.550 174.700 0.119 0.000 1.127 662 T CA 0.864 63.010 62.100 0.077 0.000 1.107 662 T CB 0.020 68.937 68.868 0.083 0.000 0.898 662 T HN 0.196 nan 8.240 nan 0.000 0.517 663 Q N 0.221 120.084 119.800 0.105 0.000 2.297 663 Q HA 0.070 4.410 4.340 -0.000 0.000 0.204 663 Q C 2.065 178.169 176.000 0.173 0.000 0.962 663 Q CA 0.828 56.707 55.803 0.125 0.000 0.879 663 Q CB -0.327 28.450 28.738 0.064 0.000 0.947 663 Q HN 0.665 nan 8.270 nan 0.000 0.462 664 I N 0.110 120.754 120.570 0.123 0.000 2.226 664 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 664 I C 2.027 178.236 176.117 0.153 0.000 1.100 664 I CA 0.623 61.991 61.300 0.113 0.000 1.374 664 I CB -0.099 37.934 38.000 0.055 0.000 1.057 664 I HN 0.280 nan 8.210 nan 0.000 0.413 665 L N -0.492 120.819 121.223 0.146 0.000 2.313 665 L HA -0.155 4.185 4.340 -0.000 0.000 0.214 665 L C 2.260 179.262 176.870 0.220 0.000 1.119 665 L CA 1.463 56.404 54.840 0.169 0.000 0.809 665 L CB -0.763 41.357 42.059 0.102 0.000 0.933 665 L HN 0.218 nan 8.230 nan 0.000 0.449 666 Y N -0.122 120.243 120.300 0.109 0.000 2.200 666 Y HA -0.138 4.412 4.550 -0.000 0.000 0.290 666 Y C 2.324 178.284 175.900 0.099 0.000 1.137 666 Y CA 1.699 59.856 58.100 0.095 0.000 1.163 666 Y CB -0.224 38.288 38.460 0.086 0.000 0.988 666 Y HN 0.200 nan 8.280 nan 0.000 0.518 667 A N -0.003 122.962 122.820 0.243 0.000 1.872 667 A HA -0.164 4.156 4.320 -0.000 0.000 0.214 667 A C 2.130 179.774 177.584 0.100 0.000 1.187 667 A CA 1.351 53.483 52.037 0.159 0.000 0.614 667 A CB -1.520 17.593 19.000 0.190 0.000 0.826 667 A HN 0.618 nan 8.150 nan 0.000 0.442 668 F N 1.139 121.097 119.950 0.012 0.000 2.065 668 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 668 F C 2.226 178.015 175.800 -0.020 0.000 1.112 668 F CA 2.293 60.294 58.000 0.003 0.000 1.212 668 F CB -0.557 38.450 39.000 0.013 0.000 0.975 668 F HN 0.041 nan 8.300 nan 0.000 0.476 669 V N 1.156 121.035 119.914 -0.059 0.000 2.244 669 V HA -0.262 3.858 4.120 -0.000 0.000 0.244 669 V C 2.662 178.628 176.094 -0.214 0.000 1.042 669 V CA 2.175 64.369 62.300 -0.176 0.000 1.006 669 V CB -0.756 31.044 31.823 -0.039 0.000 0.641 669 V HN 0.258 nan 8.190 nan 0.000 0.446 670 R N 0.001 120.353 120.500 -0.248 0.000 2.081 670 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 670 R C 2.212 178.427 176.300 -0.142 0.000 1.131 670 R CA 1.347 57.306 56.100 -0.235 0.000 0.960 670 R CB -0.382 29.680 30.300 -0.397 0.000 0.856 670 R HN 0.578 nan 8.270 nan 0.000 0.436 671 E N 0.271 120.400 120.200 -0.118 0.000 2.079 671 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 671 E C 1.943 178.480 176.600 -0.106 0.000 0.961 671 E CA 0.685 57.040 56.400 -0.076 0.000 0.823 671 E CB -0.105 29.582 29.700 -0.021 0.000 0.789 671 E HN 0.406 nan 8.360 nan 0.000 0.459 672 E N 0.882 120.977 120.200 -0.174 0.000 2.051 672 E HA 0.015 4.365 4.350 -0.000 0.000 0.189 672 E C 2.175 178.612 176.600 -0.271 0.000 0.979 672 E CA 0.557 56.827 56.400 -0.217 0.000 0.803 672 E CB 0.025 29.562 29.700 -0.270 0.000 0.761 672 E HN 0.107 nan 8.360 nan 0.000 0.451 673 L N -0.176 120.809 121.223 -0.396 0.000 2.418 673 L HA 0.129 4.469 4.340 -0.000 0.000 0.218 673 L C 1.242 178.027 176.870 -0.142 0.000 1.125 673 L CA 0.339 55.011 54.840 -0.281 0.000 0.835 673 L CB -0.226 41.635 42.059 -0.330 0.000 0.953 673 L HN 0.263 nan 8.230 nan 0.000 0.454 674 G N 1.393 110.114 108.800 -0.132 0.000 2.295 674 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.287 674 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.287 674 G C -0.009 174.873 174.900 -0.030 0.000 1.055 674 G CA 0.474 45.533 45.100 -0.068 0.000 0.922 674 G HN 0.243 nan 8.290 nan 0.000 0.503 675 V N 0.100 119.993 119.914 -0.035 0.000 2.313 675 V HA 0.682 4.802 4.120 -0.000 0.000 0.278 675 V C 0.411 176.513 176.094 0.012 0.000 1.017 675 V CA -1.140 61.180 62.300 0.033 0.000 0.823 675 V CB 0.829 32.706 31.823 0.090 0.000 1.010 675 V HN 0.297 nan 8.190 nan 0.000 0.443 676 K N 4.744 125.175 120.400 0.051 0.000 2.362 676 K HA 0.707 5.027 4.320 -0.000 0.000 0.245 676 K C 0.488 177.161 176.600 0.122 0.000 1.040 676 K CA -0.013 56.311 56.287 0.062 0.000 0.961 676 K CB 0.965 33.526 32.500 0.101 0.000 1.252 676 K HN 0.785 nan 8.250 nan 0.000 0.503 677 A N 0.720 123.660 122.820 0.200 0.000 2.327 677 A HA 0.249 4.569 4.320 -0.000 0.000 0.255 677 A C -0.008 177.836 177.584 0.433 0.000 1.099 677 A CA -0.080 52.144 52.037 0.312 0.000 0.801 677 A CB 0.244 19.468 19.000 0.374 0.000 1.062 677 A HN 0.596 nan 8.150 nan 0.000 0.496 678 R N 0.077 120.790 120.500 0.354 0.000 2.437 678 R HA 0.377 4.717 4.340 -0.000 0.000 0.310 678 R C 0.671 176.897 176.300 -0.123 0.000 0.955 678 R CA -0.635 55.493 56.100 0.047 0.000 0.851 678 R CB 1.026 31.207 30.300 -0.199 0.000 1.161 678 R HN 0.898 nan 8.270 nan 0.000 0.446 679 R N 2.023 122.202 120.500 -0.535 0.000 2.140 679 R HA 0.155 4.495 4.340 -0.000 0.000 0.213 679 R C -0.129 175.890 176.300 -0.468 0.000 1.059 679 R CA 1.042 56.629 56.100 -0.854 0.000 1.000 679 R CB 0.430 29.905 30.300 -1.374 0.000 0.910 679 R HN 0.895 nan 8.270 nan 0.000 0.455 680 G N 0.252 108.871 108.800 -0.302 0.000 2.535 680 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.662 680 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.662 680 G C -0.994 173.869 174.900 -0.062 0.000 1.417 680 G CA -0.429 44.573 45.100 -0.164 0.000 0.866 680 G HN 0.122 nan 8.290 nan 0.000 0.647 681 D N 0.158 120.540 120.400 -0.031 0.000 2.103 681 D HA 0.015 4.655 4.640 -0.000 0.000 0.199 681 D C 2.763 179.071 176.300 0.013 0.000 0.978 681 D CA 1.410 55.407 54.000 -0.006 0.000 0.829 681 D CB 0.041 40.843 40.800 0.004 0.000 0.981 681 D HN 0.349 nan 8.370 nan 0.000 0.464 682 V N 0.719 120.648 119.914 0.025 0.000 2.252 682 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 682 V C 2.077 178.188 176.094 0.029 0.000 1.056 682 V CA 1.588 63.902 62.300 0.024 0.000 1.022 682 V CB -0.606 31.235 31.823 0.029 0.000 0.641 682 V HN 0.161 nan 8.190 nan 0.000 0.445 683 F N 0.120 120.015 119.950 -0.091 0.000 2.126 683 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 683 F C 2.011 177.747 175.800 -0.107 0.000 1.096 683 F CA 1.798 59.736 58.000 -0.104 0.000 1.255 683 F CB -0.096 38.818 39.000 -0.144 0.000 0.997 683 F HN 0.037 nan 8.300 nan 0.000 0.479 684 L N -0.634 120.630 121.223 0.069 0.000 2.418 684 L HA 0.155 4.495 4.340 -0.000 0.000 0.218 684 L C 1.894 178.724 176.870 -0.067 0.000 1.125 684 L CA 0.688 55.518 54.840 -0.016 0.000 0.835 684 L CB -1.068 40.992 42.059 0.001 0.000 0.953 684 L HN 0.405 nan 8.230 nan 0.000 0.454 685 G N 1.522 110.286 108.800 -0.059 0.000 2.153 685 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.252 685 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.252 685 G C 0.092 174.972 174.900 -0.033 0.000 0.994 685 G CA 0.806 45.873 45.100 -0.055 0.000 0.698 685 G HN 0.534 nan 8.290 nan 0.000 0.521 686 K N -1.114 119.272 120.400 -0.023 0.000 2.523 686 K HA 0.642 4.962 4.320 -0.000 0.000 0.257 686 K C -0.420 176.175 176.600 -0.008 0.000 0.932 686 K CA -0.918 55.360 56.287 -0.015 0.000 0.812 686 K CB 1.232 33.723 32.500 -0.015 0.000 1.326 686 K HN 0.063 nan 8.250 nan 0.000 0.433 687 Q N 3.031 122.830 119.800 -0.003 0.000 2.678 687 Q HA 0.045 4.385 4.340 -0.000 0.000 0.222 687 Q C -0.471 175.532 176.000 0.006 0.000 1.281 687 Q CA -0.332 55.473 55.803 0.003 0.000 0.994 687 Q CB 0.253 28.995 28.738 0.006 0.000 1.452 687 Q HN 0.666 nan 8.270 nan 0.000 0.570 688 E N -0.083 120.120 120.200 0.005 0.000 2.435 688 E HA 0.123 4.473 4.350 -0.000 0.000 0.256 688 E C 0.211 176.823 176.600 0.021 0.000 1.245 688 E CA -0.669 55.737 56.400 0.011 0.000 0.989 688 E CB 0.381 30.087 29.700 0.009 0.000 0.983 688 E HN 0.214 nan 8.360 nan 0.000 0.480 689 V N -0.689 119.242 119.914 0.027 0.000 2.872 689 V HA -0.049 4.071 4.120 -0.000 0.000 0.302 689 V C 0.722 176.838 176.094 0.036 0.000 1.166 689 V CA 0.162 62.481 62.300 0.030 0.000 1.298 689 V CB -0.514 31.331 31.823 0.037 0.000 0.894 689 V HN 0.811 nan 8.190 nan 0.000 0.509 690 T N 1.917 116.487 114.554 0.026 0.000 2.926 690 T HA 0.339 4.689 4.350 -0.000 0.000 0.307 690 T C 1.092 175.803 174.700 0.019 0.000 1.059 690 T CA 0.142 62.256 62.100 0.023 0.000 1.122 690 T CB 0.519 69.392 68.868 0.009 0.000 0.972 690 T HN 0.545 nan 8.240 nan 0.000 0.545 691 I N 2.243 122.825 120.570 0.020 0.000 2.194 691 I HA -0.107 4.063 4.170 -0.000 0.000 0.246 691 I C 2.846 178.870 176.117 -0.155 0.000 1.093 691 I CA 1.736 63.009 61.300 -0.045 0.000 1.355 691 I CB -0.968 37.026 38.000 -0.010 0.000 1.046 691 I HN 0.956 nan 8.210 nan 0.000 0.413 692 G N -0.058 108.689 108.800 -0.089 0.000 2.442 692 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 692 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 692 G C 1.750 176.613 174.900 -0.062 0.000 1.141 692 G CA 1.040 46.090 45.100 -0.084 0.000 0.763 692 G HN 0.380 nan 8.290 nan 0.000 0.554 693 S N 0.926 116.607 115.700 -0.031 0.000 2.382 693 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 693 S C 2.296 176.900 174.600 0.006 0.000 1.027 693 S CA 1.068 59.266 58.200 -0.003 0.000 0.991 693 S CB -0.209 62.998 63.200 0.012 0.000 0.823 693 S HN 0.403 nan 8.310 nan 0.000 0.469 694 N N 1.168 119.865 118.700 -0.005 0.000 2.207 694 N HA 0.010 4.750 4.740 -0.000 0.000 0.182 694 N C 1.756 177.275 175.510 0.015 0.000 1.020 694 N CA 0.833 53.907 53.050 0.041 0.000 0.858 694 N CB -0.600 37.974 38.487 0.145 0.000 0.991 694 N HN 0.200 nan 8.380 nan 0.000 0.427 695 V N 1.180 121.020 119.914 -0.123 0.000 2.407 695 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 695 V C 2.158 178.280 176.094 0.047 0.000 1.055 695 V CA 1.417 63.674 62.300 -0.072 0.000 1.049 695 V CB -0.603 31.125 31.823 -0.158 0.000 0.662 695 V HN 0.251 nan 8.190 nan 0.000 0.455 696 S N -0.598 115.118 115.700 0.028 0.000 2.402 696 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 696 S C 1.975 176.664 174.600 0.148 0.000 1.021 696 S CA 1.223 59.477 58.200 0.091 0.000 0.974 696 S CB -0.219 63.007 63.200 0.043 0.000 0.800 696 S HN 0.597 nan 8.310 nan 0.000 0.484 697 K N 0.809 121.266 120.400 0.095 0.000 2.097 697 K HA 0.051 4.371 4.320 -0.000 0.000 0.205 697 K C 1.915 178.573 176.600 0.097 0.000 1.050 697 K CA 1.017 57.351 56.287 0.079 0.000 0.938 697 K CB -0.269 32.257 32.500 0.043 0.000 0.718 697 K HN 0.355 nan 8.250 nan 0.000 0.442 698 I N -0.002 120.644 120.570 0.127 0.000 2.202 698 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 698 I C 2.376 178.600 176.117 0.177 0.000 1.091 698 I CA 1.107 62.500 61.300 0.154 0.000 1.368 698 I CB -0.353 37.755 38.000 0.181 0.000 1.058 698 I HN 0.128 nan 8.210 nan 0.000 0.410 699 Y N 2.150 122.484 120.300 0.057 0.000 2.151 699 Y HA -0.292 4.257 4.550 -0.000 0.000 0.284 699 Y C 2.355 178.281 175.900 0.042 0.000 1.166 699 Y CA 1.839 59.962 58.100 0.039 0.000 1.163 699 Y CB -0.304 38.162 38.460 0.010 0.000 0.974 699 Y HN 0.182 nan 8.280 nan 0.000 0.511 700 E N -0.253 119.959 120.200 0.020 0.000 2.274 700 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 700 E C 2.229 178.801 176.600 -0.047 0.000 0.996 700 E CA 0.625 56.975 56.400 -0.082 0.000 0.840 700 E CB -0.199 29.528 29.700 0.045 0.000 0.772 700 E HN 0.599 nan 8.360 nan 0.000 0.491 701 A N 0.786 123.626 122.820 0.034 0.000 2.014 701 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 701 A C 2.043 179.668 177.584 0.069 0.000 1.163 701 A CA 0.651 52.755 52.037 0.112 0.000 0.652 701 A CB -0.226 18.917 19.000 0.238 0.000 0.808 701 A HN 0.108 nan 8.150 nan 0.000 0.449 702 I N -0.751 119.818 120.570 -0.002 0.000 2.277 702 I HA -0.148 4.022 4.170 -0.000 0.000 0.243 702 I C 2.192 178.249 176.117 -0.100 0.000 1.094 702 I CA 0.846 62.125 61.300 -0.036 0.000 1.393 702 I CB -0.188 37.792 38.000 -0.033 0.000 1.078 702 I HN 0.094 nan 8.210 nan 0.000 0.417 703 K N 1.009 121.264 120.400 -0.242 0.000 2.063 703 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 703 K C 2.127 178.661 176.600 -0.110 0.000 1.048 703 K CA 1.862 58.005 56.287 -0.240 0.000 0.928 703 K CB -0.762 31.477 32.500 -0.436 0.000 0.713 703 K HN 0.407 nan 8.250 nan 0.000 0.442 704 S N -0.715 114.938 115.700 -0.078 0.000 2.607 704 S HA 0.077 4.547 4.470 -0.000 0.000 0.224 704 S C 1.527 176.132 174.600 0.009 0.000 0.969 704 S CA 0.872 59.057 58.200 -0.024 0.000 0.927 704 S CB -0.125 63.073 63.200 -0.003 0.000 0.772 704 S HN 0.445 nan 8.310 nan 0.000 0.533 705 G N 2.130 110.939 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0.000 0.856 708 N CB -0.822 37.636 38.487 -0.047 0.000 1.050 708 N HN 0.363 nan 8.380 nan 0.000 0.423 709 N N 0.590 119.222 118.700 -0.114 0.000 2.104 709 N HA -0.100 4.640 4.740 -0.000 0.000 0.190 709 N C 1.851 177.275 175.510 -0.142 0.000 1.024 709 N CA 0.674 53.662 53.050 -0.103 0.000 0.853 709 N CB -0.566 37.878 38.487 -0.071 0.000 1.008 709 N HN 0.067 nan 8.380 nan 0.000 0.424 710 V N 1.716 121.482 119.914 -0.246 0.000 2.332 710 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 710 V C 2.420 178.401 176.094 -0.188 0.000 1.055 710 V CA 1.192 63.322 62.300 -0.284 0.000 1.038 710 V CB -0.476 30.977 31.823 -0.617 0.000 0.651 710 V HN 0.254 nan 8.190 nan 0.000 0.450 711 L N -1.123 119.993 121.223 -0.179 0.000 2.141 711 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 711 L C 2.336 179.152 176.870 -0.090 0.000 1.094 711 L CA 0.960 55.729 54.840 -0.118 0.000 0.763 711 L CB -0.310 41.686 42.059 -0.105 0.000 0.908 711 L HN 0.331 nan 8.230 nan 0.000 0.437 712 L N -0.230 120.939 121.223 -0.091 0.000 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