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 2cfp_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYYLKNTNFW MFGLFFFFYF FIMGAYFPFF PIWLHDINHI SKSDTGIIFA DATA SEQUENCE AISLFSLLFQ PLFGLLSDKL GLRKYLLWII TGMLVMFAPF FIFIFGPLLQ DATA SEQUENCE YNILVGSIVG GIYLGFCFNA GAPAVEAFIE KVSRRSNFEF GRARMFGCVG DATA SEQUENCE WALGASIVGI MFTINNQFVF WLGSGCALIL AVLLFFAKTD APSSATVANA DATA SEQUENCE VGANHSAFSL KLALELFRQP KLWFLSLYVI GVSCTYDVFD QQFANFFTSF DATA SEQUENCE FATGEQGTRV FGYVTTMGEL LNASIMFFAP LIINRIGGKN ALLLAGTIMS DATA SEQUENCE VRIIGSSFAT SALEVVILKT LHMFEVPFLL VGCFKYITSQ FEVRFSATIY DATA SEQUENCE LVCFCFFKQL AMIFMSVLAG NMYESIGFQG AYLVLGLVAL GFTLISVFTL DATA SEQUENCE SGPGPLSLLR RQVNEVA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.702 176.300 0.669 0.000 1.140 1 M CA 0.000 55.688 55.300 0.646 0.000 0.988 1 M CB 0.000 32.791 32.600 0.318 0.000 1.302 2 Y N -1.202 119.262 120.300 0.273 0.000 2.881 2 Y HA 0.383 4.940 4.550 0.011 0.000 0.369 2 Y C 0.997 177.173 175.900 0.461 0.000 1.066 2 Y CA -0.616 57.625 58.100 0.235 0.000 1.616 2 Y CB -0.823 37.661 38.460 0.040 0.000 1.436 2 Y HN 0.438 nan 8.280 nan 0.000 0.505 3 Y N -2.604 117.745 120.300 0.081 0.000 3.012 3 Y HA 0.236 4.793 4.550 0.011 0.000 0.236 3 Y C 1.600 177.308 175.900 -0.321 0.000 1.017 3 Y CA -0.699 57.193 58.100 -0.346 0.000 1.364 3 Y CB -0.358 37.441 38.460 -1.102 0.000 1.491 3 Y HN 0.036 nan 8.280 nan 0.000 0.435 4 L N 1.325 122.169 121.223 -0.631 0.000 2.129 4 L HA -0.156 4.191 4.340 0.011 0.000 0.212 4 L C 1.731 178.279 176.870 -0.537 0.000 1.087 4 L CA 2.028 56.367 54.840 -0.835 0.000 0.757 4 L CB -0.487 41.111 42.059 -0.768 0.000 0.896 4 L HN 0.346 nan 8.230 nan 0.000 0.434 5 K N -1.173 119.079 120.400 -0.247 0.000 2.313 5 K HA 0.042 4.369 4.320 0.011 0.000 0.197 5 K C 0.821 177.402 176.600 -0.031 0.000 1.061 5 K CA -0.200 56.016 56.287 -0.119 0.000 0.980 5 K CB 0.042 32.516 32.500 -0.043 0.000 0.888 5 K HN 0.097 nan 8.250 nan 0.000 0.502 6 N N 0.284 119.009 118.700 0.040 0.000 2.424 6 N HA 0.050 4.797 4.740 0.011 0.000 0.257 6 N C 0.325 175.936 175.510 0.167 0.000 1.250 6 N CA 0.438 53.560 53.050 0.120 0.000 0.946 6 N CB 1.035 39.636 38.487 0.191 0.000 1.175 6 N HN -0.132 nan 8.380 nan 0.000 0.477 7 T N 1.158 115.832 114.554 0.200 0.000 3.523 7 T HA 0.081 4.438 4.350 0.011 0.000 0.216 7 T C 1.187 176.077 174.700 0.317 0.000 0.922 7 T CA 0.437 62.695 62.100 0.262 0.000 1.558 7 T CB -0.691 68.287 68.868 0.183 0.000 1.424 7 T HN 0.592 nan 8.240 nan 0.000 0.452 8 N N 1.357 120.202 118.700 0.241 0.000 2.144 8 N HA -0.268 4.479 4.740 0.011 0.000 0.165 8 N C 1.349 177.047 175.510 0.315 0.000 0.756 8 N CA 2.308 55.514 53.050 0.260 0.000 0.879 8 N CB -0.785 37.771 38.487 0.114 0.000 0.975 8 N HN 0.414 nan 8.380 nan 0.000 1.054 9 F N -0.004 120.026 119.950 0.134 0.000 2.025 9 F HA -0.213 4.321 4.527 0.011 0.000 0.297 9 F C 2.239 178.135 175.800 0.160 0.000 1.132 9 F CA 1.608 59.662 58.000 0.089 0.000 1.191 9 F CB -0.693 38.264 39.000 -0.072 0.000 0.963 9 F HN 0.282 nan 8.300 nan 0.000 0.481 10 W N 0.697 121.989 121.300 -0.014 0.000 2.504 10 W HA -0.224 4.442 4.660 0.011 0.000 0.257 10 W C 1.570 178.025 176.519 -0.106 0.000 1.225 10 W CA 1.016 58.262 57.345 -0.165 0.000 1.205 10 W CB 0.031 29.565 29.460 0.123 0.000 1.137 10 W HN 0.352 nan 8.180 nan 0.000 0.612 11 M N -2.051 117.591 119.600 0.070 0.000 3.160 11 M HA 0.149 4.635 4.480 0.011 0.000 0.222 11 M C 1.358 177.722 176.300 0.106 0.000 1.703 11 M CA 1.056 56.401 55.300 0.075 0.000 1.354 11 M CB -1.079 31.634 32.600 0.187 0.000 1.115 11 M HN -0.224 nan 8.290 nan 0.000 0.594 12 F N 0.829 120.809 119.950 0.050 0.000 2.664 12 F HA 0.070 4.604 4.527 0.011 0.000 0.297 12 F C 1.893 177.782 175.800 0.149 0.000 1.164 12 F CA 1.431 59.481 58.000 0.083 0.000 1.472 12 F CB -0.420 38.571 39.000 -0.015 0.000 1.108 12 F HN 0.395 nan 8.300 nan 0.000 0.596 13 G N -1.264 107.637 108.800 0.168 0.000 2.796 13 G HA2 0.051 4.018 3.960 0.011 0.000 0.210 13 G HA3 0.051 4.018 3.960 0.011 0.000 0.210 13 G C 1.549 176.761 174.900 0.519 0.000 1.146 13 G CA 0.038 45.279 45.100 0.234 0.000 0.779 13 G HN 0.309 nan 8.290 nan 0.000 0.535 14 L N -0.722 120.650 121.223 0.249 0.000 2.121 14 L HA 0.233 4.580 4.340 0.011 0.000 0.200 14 L C 2.406 179.344 176.870 0.113 0.000 1.077 14 L CA 0.560 55.425 54.840 0.043 0.000 0.766 14 L CB -0.491 41.433 42.059 -0.224 0.000 0.931 14 L HN 0.242 nan 8.230 nan 0.000 0.452 15 F N 0.070 119.992 119.950 -0.046 0.000 2.154 15 F HA -0.346 4.188 4.527 0.011 0.000 0.301 15 F C 2.202 178.105 175.800 0.171 0.000 1.087 15 F CA 1.511 59.503 58.000 -0.014 0.000 1.274 15 F CB -0.169 38.751 39.000 -0.133 0.000 1.009 15 F HN -0.036 nan 8.300 nan 0.000 0.485 16 F N 0.106 120.316 119.950 0.433 0.000 2.407 16 F HA -0.089 4.444 4.527 0.011 0.000 0.299 16 F C 1.886 177.754 175.800 0.113 0.000 1.097 16 F CA 0.998 59.156 58.000 0.262 0.000 1.422 16 F CB -0.725 38.414 39.000 0.232 0.000 1.067 16 F HN 0.218 nan 8.300 nan 0.000 0.539 17 F N -1.477 118.532 119.950 0.098 0.000 2.222 17 F HA -0.061 4.472 4.527 0.011 0.000 0.285 17 F C 1.941 177.825 175.800 0.141 0.000 1.068 17 F CA 0.688 58.708 58.000 0.032 0.000 1.265 17 F CB -0.821 38.170 39.000 -0.016 0.000 1.087 17 F HN -0.210 nan 8.300 nan 0.000 0.511 18 F N -0.024 120.182 119.950 0.426 0.000 2.605 18 F HA -0.211 4.322 4.527 0.011 0.000 0.296 18 F C 1.777 177.635 175.800 0.097 0.000 1.146 18 F CA 0.688 58.792 58.000 0.174 0.000 1.478 18 F CB -0.266 38.609 39.000 -0.209 0.000 1.107 18 F HN 0.262 nan 8.300 nan 0.000 0.600 19 Y N -0.579 119.739 120.300 0.031 0.000 2.222 19 Y HA -0.099 4.457 4.550 0.011 0.000 0.290 19 Y C 2.032 178.032 175.900 0.168 0.000 1.123 19 Y CA 0.996 59.032 58.100 -0.108 0.000 1.120 19 Y CB -0.873 37.393 38.460 -0.324 0.000 1.060 19 Y HN -0.115 nan 8.280 nan 0.000 0.508 20 F N 0.074 120.019 119.950 -0.009 0.000 2.236 20 F HA -0.252 4.281 4.527 0.011 0.000 0.302 20 F C 2.350 178.136 175.800 -0.022 0.000 1.073 20 F CA 0.924 58.867 58.000 -0.096 0.000 1.336 20 F CB -1.702 37.267 39.000 -0.051 0.000 1.040 20 F HN 0.215 nan 8.300 nan 0.000 0.507 21 F N 0.152 120.142 119.950 0.066 0.000 2.202 21 F HA -0.237 4.296 4.527 0.011 0.000 0.301 21 F C 1.980 177.714 175.800 -0.110 0.000 1.082 21 F CA 0.960 58.922 58.000 -0.065 0.000 1.313 21 F CB -0.130 38.814 39.000 -0.092 0.000 1.024 21 F HN -0.169 nan 8.300 nan 0.000 0.495 22 I N -0.535 120.131 120.570 0.159 0.000 2.546 22 I HA -0.236 3.940 4.170 0.011 0.000 0.255 22 I C 2.108 178.201 176.117 -0.040 0.000 1.163 22 I CA 1.043 62.356 61.300 0.021 0.000 1.457 22 I CB -0.883 37.050 38.000 -0.112 0.000 1.092 22 I HN 0.186 nan 8.210 nan 0.000 0.434 23 M N 0.619 120.183 119.600 -0.060 0.000 2.062 23 M HA 0.025 4.512 4.480 0.011 0.000 0.259 23 M C 2.312 178.509 176.300 -0.172 0.000 1.076 23 M CA 1.862 57.110 55.300 -0.086 0.000 1.122 23 M CB -1.380 31.277 32.600 0.095 0.000 1.312 23 M HN 0.230 nan 8.290 nan 0.000 0.412 24 G N -1.000 107.623 108.800 -0.295 0.000 2.659 24 G HA2 -0.103 3.864 3.960 0.011 0.000 0.219 24 G HA3 -0.103 3.864 3.960 0.011 0.000 0.219 24 G C 1.195 175.701 174.900 -0.657 0.000 1.105 24 G CA 1.299 45.953 45.100 -0.743 0.000 0.727 24 G HN 0.624 nan 8.290 nan 0.000 0.583 25 A N -0.528 122.080 122.820 -0.354 0.000 2.050 25 A HA 0.391 4.718 4.320 0.011 0.000 0.214 25 A C 1.845 179.333 177.584 -0.160 0.000 1.577 25 A CA 0.868 52.772 52.037 -0.222 0.000 0.752 25 A CB -0.643 18.374 19.000 0.029 0.000 1.220 25 A HN 0.253 nan 8.150 nan 0.000 0.543 26 Y N -0.237 119.930 120.300 -0.221 0.000 1.978 26 Y HA -0.290 4.267 4.550 0.011 0.000 0.247 26 Y C 2.051 177.813 175.900 -0.231 0.000 1.102 26 Y CA 2.565 60.492 58.100 -0.287 0.000 1.069 26 Y CB -0.879 37.090 38.460 -0.819 0.000 0.954 26 Y HN 0.272 nan 8.280 nan 0.000 0.488 27 F N 0.449 120.390 119.950 -0.016 0.000 2.287 27 F HA -0.141 4.393 4.527 0.011 0.000 0.301 27 F C -0.972 174.781 175.800 -0.077 0.000 1.069 27 F CA 1.412 59.408 58.000 -0.006 0.000 1.372 27 F CB -1.405 37.671 39.000 0.127 0.000 1.056 27 F HN 0.219 nan 8.300 nan 0.000 0.523 28 P HA -0.013 nan 4.420 nan 0.000 0.214 28 P C 0.350 177.789 177.300 0.233 0.000 1.144 28 P CA 0.951 63.986 63.100 -0.108 0.000 0.884 28 P CB 0.111 31.336 31.700 -0.792 0.000 0.784 29 F N -0.908 119.013 119.950 -0.047 0.000 2.640 29 F HA 0.260 4.793 4.527 0.011 0.000 0.331 29 F C 1.010 176.821 175.800 0.017 0.000 1.200 29 F CA -0.801 57.108 58.000 -0.151 0.000 1.278 29 F CB -0.041 38.624 39.000 -0.559 0.000 1.571 29 F HN -0.089 nan 8.300 nan 0.000 0.576 30 F N 2.689 122.719 119.950 0.133 0.000 2.536 30 F HA 0.297 4.830 4.527 0.011 0.000 0.278 30 F C -1.236 174.756 175.800 0.320 0.000 0.945 30 F CA -0.424 57.660 58.000 0.140 0.000 1.244 30 F CB -1.151 37.757 39.000 -0.153 0.000 1.118 30 F HN -0.099 nan 8.300 nan 0.000 0.725 31 P HA -0.169 nan 4.420 nan 0.000 0.216 31 P C 1.764 179.103 177.300 0.066 0.000 1.153 31 P CA 1.800 64.921 63.100 0.034 0.000 0.858 31 P CB 0.037 31.832 31.700 0.157 0.000 0.789 32 I N -2.157 118.487 120.570 0.124 0.000 2.142 32 I HA -0.181 3.995 4.170 0.011 0.000 0.240 32 I C 2.315 178.619 176.117 0.312 0.000 1.078 32 I CA 0.943 62.335 61.300 0.153 0.000 1.343 32 I CB -1.665 36.368 38.000 0.055 0.000 1.046 32 I HN 0.015 nan 8.210 nan 0.000 0.405 33 W N 1.424 122.856 121.300 0.221 0.000 2.301 33 W HA -0.278 4.388 4.660 0.011 0.000 0.325 33 W C 2.369 178.890 176.519 0.003 0.000 1.250 33 W CA 2.139 59.678 57.345 0.323 0.000 1.261 33 W CB -0.705 29.021 29.460 0.442 0.000 1.157 33 W HN 0.043 nan 8.180 nan 0.000 0.473 34 L N -0.903 120.325 121.223 0.009 0.000 1.941 34 L HA -0.381 3.966 4.340 0.011 0.000 0.224 34 L C 2.951 179.647 176.870 -0.290 0.000 1.081 34 L CA 2.166 56.794 54.840 -0.353 0.000 0.784 34 L CB -1.894 39.968 42.059 -0.327 0.000 0.894 34 L HN 0.213 nan 8.230 nan 0.000 0.436 35 H N 0.528 119.484 119.070 -0.191 0.000 2.253 35 H HA -0.193 4.370 4.556 0.011 0.000 0.296 35 H C 1.740 177.005 175.328 -0.106 0.000 1.074 35 H CA 2.446 58.419 56.048 -0.125 0.000 1.263 35 H CB -0.110 29.621 29.762 -0.053 0.000 1.363 35 H HN 0.332 nan 8.280 nan 0.000 0.489 36 D N -0.413 120.075 120.400 0.147 0.000 2.350 36 D HA -0.043 4.604 4.640 0.011 0.000 0.216 36 D C 1.602 177.843 176.300 -0.099 0.000 0.968 36 D CA 0.631 54.682 54.000 0.085 0.000 0.894 36 D CB 0.202 41.105 40.800 0.172 0.000 0.909 36 D HN 0.330 nan 8.370 nan 0.000 0.520 37 I N -0.847 119.548 120.570 -0.293 0.000 4.197 37 I HA 0.093 4.269 4.170 0.011 0.000 0.307 37 I C 0.830 176.445 176.117 -0.838 0.000 1.236 37 I CA 0.357 61.356 61.300 -0.503 0.000 1.321 37 I CB 0.243 37.950 38.000 -0.488 0.000 1.309 37 I HN -0.126 nan 8.210 nan 0.000 0.450 38 N N 0.170 118.357 118.700 -0.856 0.000 2.235 38 N HA 0.028 4.774 4.740 0.011 0.000 0.209 38 N C -0.486 174.650 175.510 -0.622 0.000 1.122 38 N CA -0.053 52.499 53.050 -0.829 0.000 0.845 38 N CB 0.174 38.132 38.487 -0.882 0.000 1.004 38 N HN 0.230 nan 8.380 nan 0.000 0.499 39 H N -0.094 118.747 119.070 -0.381 0.000 2.529 39 H HA -0.198 4.364 4.556 0.011 0.000 0.319 39 H C 0.057 175.183 175.328 -0.337 0.000 1.072 39 H CA 0.482 56.303 56.048 -0.379 0.000 1.126 39 H CB -1.787 27.794 29.762 -0.301 0.000 1.474 39 H HN 0.346 nan 8.280 nan 0.000 0.406 40 I N 1.377 121.786 120.570 -0.268 0.000 2.474 40 I HA 0.130 4.307 4.170 0.011 0.000 0.287 40 I C 0.866 176.905 176.117 -0.129 0.000 1.048 40 I CA -0.346 60.826 61.300 -0.213 0.000 1.383 40 I CB 0.916 38.756 38.000 -0.267 0.000 1.412 40 I HN 0.341 nan 8.210 nan 0.000 0.531 41 S N 7.169 122.813 115.700 -0.093 0.000 2.579 41 S HA 0.162 4.639 4.470 0.011 0.000 0.275 41 S C 0.931 175.545 174.600 0.023 0.000 1.345 41 S CA -0.315 57.862 58.200 -0.038 0.000 1.031 41 S CB 0.739 63.915 63.200 -0.041 0.000 0.892 41 S HN 0.659 nan 8.310 nan 0.000 0.529 42 K N 1.554 121.992 120.400 0.063 0.000 2.211 42 K HA -0.057 4.269 4.320 0.011 0.000 0.203 42 K C 2.007 178.729 176.600 0.203 0.000 1.050 42 K CA 1.391 57.767 56.287 0.147 0.000 0.945 42 K CB -0.576 31.992 32.500 0.114 0.000 0.732 42 K HN 0.839 nan 8.250 nan 0.000 0.451 43 S N 0.312 116.086 115.700 0.123 0.000 2.548 43 S HA 0.050 4.527 4.470 0.011 0.000 0.215 43 S C 0.939 175.585 174.600 0.077 0.000 0.976 43 S CA 0.113 58.381 58.200 0.114 0.000 0.908 43 S CB 0.269 63.513 63.200 0.074 0.000 0.781 43 S HN 0.113 nan 8.310 nan 0.000 0.519 44 D N 2.055 122.484 120.400 0.049 0.000 2.463 44 D HA 0.037 4.684 4.640 0.011 0.000 0.237 44 D C 2.190 178.487 176.300 -0.006 0.000 1.013 44 D CA 1.534 55.540 54.000 0.011 0.000 0.910 44 D CB -0.532 40.252 40.800 -0.027 0.000 1.080 44 D HN 0.578 nan 8.370 nan 0.000 0.498 45 T N -0.398 114.153 114.554 -0.004 0.000 2.684 45 T HA -0.156 4.200 4.350 0.011 0.000 0.267 45 T C 2.272 176.934 174.700 -0.065 0.000 1.036 45 T CA 1.751 63.805 62.100 -0.076 0.000 1.148 45 T CB -1.182 67.683 68.868 -0.005 0.000 0.863 45 T HN 0.106 nan 8.240 nan 0.000 0.436 46 G N 2.395 111.265 108.800 0.118 0.000 2.606 46 G HA2 -0.256 3.711 3.960 0.011 0.000 0.221 46 G HA3 -0.256 3.711 3.960 0.011 0.000 0.221 46 G C 1.551 176.532 174.900 0.135 0.000 1.152 46 G CA 1.212 46.438 45.100 0.209 0.000 0.765 46 G HN 0.529 nan 8.290 nan 0.000 0.595 47 I N 0.980 121.593 120.570 0.071 0.000 2.208 47 I HA -0.155 4.022 4.170 0.011 0.000 0.245 47 I C 2.795 178.966 176.117 0.090 0.000 1.097 47 I CA 0.900 62.243 61.300 0.072 0.000 1.363 47 I CB -0.747 37.285 38.000 0.053 0.000 1.051 47 I HN 0.112 nan 8.210 nan 0.000 0.413 48 I N 1.089 121.669 120.570 0.016 0.000 2.068 48 I HA -0.346 3.831 4.170 0.011 0.000 0.238 48 I C 2.694 178.894 176.117 0.137 0.000 1.046 48 I CA 1.992 63.326 61.300 0.057 0.000 1.306 48 I CB -1.597 36.345 38.000 -0.096 0.000 1.023 48 I HN 0.112 nan 8.210 nan 0.000 0.399 49 F N 1.036 121.158 119.950 0.285 0.000 2.046 49 F HA -0.239 4.294 4.527 0.011 0.000 0.297 49 F C 2.742 178.657 175.800 0.191 0.000 1.123 49 F CA 1.243 59.392 58.000 0.247 0.000 1.199 49 F CB -0.881 38.256 39.000 0.230 0.000 0.972 49 F HN 0.083 nan 8.300 nan 0.000 0.474 50 A N 0.493 123.515 122.820 0.336 0.000 1.954 50 A HA -0.340 3.987 4.320 0.011 0.000 0.222 50 A C 2.324 180.002 177.584 0.157 0.000 1.199 50 A CA 2.543 54.685 52.037 0.175 0.000 0.657 50 A CB -1.457 17.589 19.000 0.077 0.000 0.823 50 A HN 0.427 nan 8.150 nan 0.000 0.463 51 A N -0.130 122.818 122.820 0.213 0.000 1.855 51 A HA -0.050 4.277 4.320 0.011 0.000 0.215 51 A C 2.077 179.897 177.584 0.393 0.000 1.191 51 A CA 1.402 53.611 52.037 0.286 0.000 0.613 51 A CB -0.644 18.555 19.000 0.332 0.000 0.829 51 A HN 0.511 nan 8.150 nan 0.000 0.442 52 I N 0.460 121.273 120.570 0.406 0.000 2.109 52 I HA -0.401 3.776 4.170 0.011 0.000 0.233 52 I C 2.702 179.036 176.117 0.362 0.000 1.005 52 I CA 2.277 63.832 61.300 0.425 0.000 1.294 52 I CB -1.390 36.851 38.000 0.401 0.000 1.005 52 I HN 0.382 nan 8.210 nan 0.000 0.392 53 S N 1.167 117.019 115.700 0.253 0.000 2.407 53 S HA -0.301 4.176 4.470 0.011 0.000 0.244 53 S C 1.926 176.540 174.600 0.022 0.000 1.077 53 S CA 2.142 60.433 58.200 0.152 0.000 1.159 53 S CB -1.086 62.185 63.200 0.119 0.000 1.045 53 S HN 0.444 nan 8.310 nan 0.000 0.438 54 L N 0.543 121.693 121.223 -0.121 0.000 2.211 54 L HA -0.143 4.204 4.340 0.011 0.000 0.216 54 L C 1.462 177.897 176.870 -0.724 0.000 1.092 54 L CA 1.813 56.382 54.840 -0.451 0.000 0.767 54 L CB -0.516 41.147 42.059 -0.660 0.000 0.894 54 L HN 0.307 nan 8.230 nan 0.000 0.437 55 F N -2.680 117.292 119.950 0.038 0.000 2.695 55 F HA 0.255 4.789 4.527 0.011 0.000 0.303 55 F C 2.128 178.124 175.800 0.327 0.000 1.091 55 F CA 0.497 58.569 58.000 0.121 0.000 1.300 55 F CB -0.219 38.877 39.000 0.160 0.000 1.071 55 F HN 0.054 nan 8.300 nan 0.000 0.578 56 S N 0.137 116.003 115.700 0.277 0.000 2.575 56 S HA 0.269 4.746 4.470 0.011 0.000 0.237 56 S C 1.135 175.841 174.600 0.176 0.000 0.975 56 S CA -0.117 58.232 58.200 0.248 0.000 0.960 56 S CB -0.023 63.318 63.200 0.235 0.000 0.822 56 S HN 0.479 nan 8.310 nan 0.000 0.472 57 L N -1.075 120.214 121.223 0.111 0.000 2.688 57 L HA 0.507 4.854 4.340 0.011 0.000 0.216 57 L C 1.067 177.969 176.870 0.054 0.000 1.036 57 L CA -0.032 54.858 54.840 0.084 0.000 0.906 57 L CB -0.281 41.779 42.059 0.001 0.000 1.501 57 L HN 0.196 nan 8.230 nan 0.000 0.489 58 L N 0.369 121.527 121.223 -0.109 0.000 2.622 58 L HA 0.055 4.402 4.340 0.011 0.000 0.233 58 L C 0.960 177.610 176.870 -0.368 0.000 1.156 58 L CA 1.490 56.161 54.840 -0.281 0.000 0.866 58 L CB -0.395 41.321 42.059 -0.570 0.000 0.980 58 L HN 0.411 nan 8.230 nan 0.000 0.448 59 F N -1.883 118.164 119.950 0.161 0.000 2.496 59 F HA 0.044 4.577 4.527 0.011 0.000 0.274 59 F C 2.362 178.270 175.800 0.179 0.000 0.924 59 F CA -0.246 57.864 58.000 0.183 0.000 1.147 59 F CB 0.101 39.123 39.000 0.036 0.000 0.969 59 F HN -0.137 nan 8.300 nan 0.000 0.749 60 Q N 1.319 121.292 119.800 0.288 0.000 2.173 60 Q HA -0.189 4.157 4.340 0.011 0.000 0.208 60 Q C -0.897 175.276 176.000 0.289 0.000 0.989 60 Q CA 1.913 57.859 55.803 0.239 0.000 0.872 60 Q CB -1.280 27.574 28.738 0.194 0.000 0.909 60 Q HN 0.346 nan 8.270 nan 0.000 0.420 61 P HA -0.144 nan 4.420 nan 0.000 0.218 61 P C 1.512 178.976 177.300 0.273 0.000 1.152 61 P CA 0.958 64.214 63.100 0.259 0.000 0.826 61 P CB -0.062 31.778 31.700 0.233 0.000 0.790 62 L N -2.075 119.337 121.223 0.314 0.000 2.044 62 L HA -0.083 4.264 4.340 0.011 0.000 0.205 62 L C 2.483 179.524 176.870 0.285 0.000 1.075 62 L CA 1.354 56.371 54.840 0.295 0.000 0.747 62 L CB -0.588 41.685 42.059 0.357 0.000 0.903 62 L HN -0.230 nan 8.230 nan 0.000 0.435 63 F N 0.485 120.533 119.950 0.163 0.000 1.983 63 F HA -0.095 4.438 4.527 0.011 0.000 0.295 63 F C 2.569 178.431 175.800 0.104 0.000 1.197 63 F CA 1.718 59.775 58.000 0.095 0.000 1.165 63 F CB -1.426 37.597 39.000 0.037 0.000 0.970 63 F HN 0.127 nan 8.300 nan 0.000 0.488 64 G N 0.714 109.732 108.800 0.364 0.000 2.759 64 G HA2 -0.304 3.662 3.960 0.011 0.000 0.224 64 G HA3 -0.304 3.662 3.960 0.011 0.000 0.224 64 G C 1.241 176.254 174.900 0.188 0.000 1.173 64 G CA 1.358 46.601 45.100 0.238 0.000 0.770 64 G HN 0.342 nan 8.290 nan 0.000 0.626 65 L N 0.812 122.157 121.223 0.203 0.000 2.873 65 L HA 0.382 4.729 4.340 0.011 0.000 0.252 65 L C 1.489 178.431 176.870 0.122 0.000 1.266 65 L CA -0.013 54.940 54.840 0.188 0.000 1.111 65 L CB -0.296 41.906 42.059 0.238 0.000 1.440 65 L HN 0.363 nan 8.230 nan 0.000 0.427 66 L N -2.105 119.169 121.223 0.085 0.000 2.692 66 L HA 0.048 4.395 4.340 0.011 0.000 0.175 66 L C 2.201 179.085 176.870 0.023 0.000 1.112 66 L CA 0.389 55.246 54.840 0.028 0.000 0.908 66 L CB 0.176 42.216 42.059 -0.031 0.000 1.672 66 L HN 0.045 nan 8.230 nan 0.000 0.500 67 S N 0.471 116.193 115.700 0.036 0.000 2.432 67 S HA -0.291 4.185 4.470 0.011 0.000 0.243 67 S C 1.396 176.035 174.600 0.065 0.000 1.069 67 S CA 2.244 60.490 58.200 0.076 0.000 1.047 67 S CB -0.553 62.727 63.200 0.133 0.000 0.854 67 S HN 0.526 nan 8.310 nan 0.000 0.474 68 D N 1.082 121.506 120.400 0.041 0.000 2.106 68 D HA -0.127 4.520 4.640 0.011 0.000 0.194 68 D C 1.688 177.954 176.300 -0.057 0.000 0.988 68 D CA 1.556 55.549 54.000 -0.012 0.000 0.845 68 D CB -0.401 40.386 40.800 -0.023 0.000 0.990 68 D HN 0.731 nan 8.370 nan 0.000 0.448 69 K N 0.936 121.298 120.400 -0.063 0.000 2.699 69 K HA 0.007 4.334 4.320 0.011 0.000 0.205 69 K C 1.756 178.319 176.600 -0.061 0.000 1.008 69 K CA 0.274 56.514 56.287 -0.078 0.000 1.100 69 K CB -0.088 32.371 32.500 -0.068 0.000 0.878 69 K HN 0.202 nan 8.250 nan 0.000 0.496 70 L N -0.062 121.140 121.223 -0.035 0.000 2.200 70 L HA 0.116 4.462 4.340 0.011 0.000 0.200 70 L C 1.213 178.057 176.870 -0.044 0.000 1.072 70 L CA 1.129 55.955 54.840 -0.024 0.000 0.787 70 L CB -0.085 42.008 42.059 0.057 0.000 0.957 70 L HN 0.719 nan 8.230 nan 0.000 0.459 71 G N -0.267 108.512 108.800 -0.036 0.000 2.516 71 G HA2 -0.291 3.675 3.960 0.011 0.000 0.220 71 G HA3 -0.291 3.675 3.960 0.011 0.000 0.220 71 G C -0.270 174.577 174.900 -0.088 0.000 1.165 71 G CA -0.036 45.016 45.100 -0.081 0.000 1.013 71 G HN 0.060 nan 8.290 nan 0.000 0.590 72 L N 1.680 122.835 121.223 -0.114 0.000 2.769 72 L HA 0.464 4.811 4.340 0.011 0.000 0.240 72 L C 1.463 178.346 176.870 0.022 0.000 1.163 72 L CA 0.003 54.741 54.840 -0.170 0.000 0.962 72 L CB 0.005 41.922 42.059 -0.237 0.000 1.258 72 L HN 0.437 nan 8.230 nan 0.000 0.513 73 R N 0.574 121.105 120.500 0.051 0.000 2.438 73 R HA 0.249 4.595 4.340 0.011 0.000 0.287 73 R C -0.342 176.065 176.300 0.179 0.000 1.077 73 R CA -0.451 55.666 56.100 0.028 0.000 1.034 73 R CB 0.614 30.830 30.300 -0.140 0.000 0.993 73 R HN -0.115 nan 8.270 nan 0.000 0.459 74 K N 2.780 123.230 120.400 0.085 0.000 2.264 74 K HA 0.181 4.508 4.320 0.011 0.000 0.277 74 K C -0.632 176.039 176.600 0.118 0.000 1.067 74 K CA -0.092 56.166 56.287 -0.049 0.000 0.900 74 K CB 0.677 33.037 32.500 -0.234 0.000 1.124 74 K HN 0.519 nan 8.250 nan 0.000 0.469 75 Y N 0.624 120.888 120.300 -0.061 0.000 3.006 75 Y HA 0.099 4.656 4.550 0.011 0.000 0.236 75 Y C 1.062 177.027 175.900 0.108 0.000 1.088 75 Y CA -0.179 57.934 58.100 0.022 0.000 1.307 75 Y CB -0.051 38.399 38.460 -0.016 0.000 1.445 75 Y HN 0.403 nan 8.280 nan 0.000 0.433 76 L N 1.388 122.714 121.223 0.173 0.000 1.948 76 L HA -0.133 4.214 4.340 0.011 0.000 0.212 76 L C 2.041 178.952 176.870 0.068 0.000 1.074 76 L CA 2.226 57.091 54.840 0.042 0.000 0.753 76 L CB -1.546 40.479 42.059 -0.056 0.000 0.888 76 L HN 0.427 nan 8.230 nan 0.000 0.432 77 L N -1.666 119.557 121.223 -0.001 0.000 2.740 77 L HA -0.200 4.147 4.340 0.011 0.000 0.242 77 L C 1.781 178.798 176.870 0.246 0.000 1.175 77 L CA 0.864 55.729 54.840 0.041 0.000 0.859 77 L CB -0.423 41.509 42.059 -0.213 0.000 0.992 77 L HN 0.478 nan 8.230 nan 0.000 0.454 78 W N -0.171 121.157 121.300 0.048 0.000 2.699 78 W HA 0.172 4.838 4.660 0.011 0.000 0.265 78 W C 1.890 178.393 176.519 -0.027 0.000 1.210 78 W CA 0.388 57.775 57.345 0.071 0.000 1.414 78 W CB 0.150 29.680 29.460 0.116 0.000 1.043 78 W HN 0.150 nan 8.180 nan 0.000 0.599 79 I N 0.825 121.469 120.570 0.124 0.000 3.550 79 I HA -0.008 4.168 4.170 0.011 0.000 0.295 79 I C 1.325 177.459 176.117 0.029 0.000 1.291 79 I CA 0.831 62.132 61.300 0.001 0.000 1.298 79 I CB -0.189 37.845 38.000 0.057 0.000 1.026 79 I HN 0.029 nan 8.210 nan 0.000 0.491 80 I N 0.222 120.815 120.570 0.039 0.000 3.081 80 I HA -0.145 4.031 4.170 0.011 0.000 0.274 80 I C 2.049 178.119 176.117 -0.079 0.000 1.178 80 I CA 1.059 62.404 61.300 0.076 0.000 1.460 80 I CB 0.142 38.198 38.000 0.094 0.000 1.137 80 I HN 0.306 nan 8.210 nan 0.000 0.443 81 T N -1.195 113.259 114.554 -0.168 0.000 2.985 81 T HA 0.002 4.359 4.350 0.011 0.000 0.266 81 T C 1.751 176.258 174.700 -0.322 0.000 1.076 81 T CA 0.783 62.712 62.100 -0.285 0.000 1.135 81 T CB -0.758 67.874 68.868 -0.393 0.000 0.890 81 T HN 0.401 nan 8.240 nan 0.000 0.480 82 G N 0.487 109.092 108.800 -0.326 0.000 2.916 82 G HA2 0.134 4.101 3.960 0.011 0.000 0.205 82 G HA3 0.134 4.101 3.960 0.011 0.000 0.205 82 G C 1.101 175.852 174.900 -0.248 0.000 1.163 82 G CA 0.198 45.109 45.100 -0.316 0.000 0.821 82 G HN 0.322 nan 8.290 nan 0.000 0.515 83 M N -0.800 118.648 119.600 -0.253 0.000 2.817 83 M HA 0.286 4.773 4.480 0.011 0.000 0.228 83 M C 1.611 177.732 176.300 -0.300 0.000 1.644 83 M CA 0.278 55.407 55.300 -0.285 0.000 1.177 83 M CB -0.452 31.965 32.600 -0.305 0.000 1.302 83 M HN 0.004 nan 8.290 nan 0.000 0.565 84 L N 1.981 122.999 121.223 -0.342 0.000 2.737 84 L HA 0.000 4.347 4.340 0.011 0.000 0.246 84 L C 1.707 178.389 176.870 -0.314 0.000 1.153 84 L CA 0.451 55.044 54.840 -0.412 0.000 0.920 84 L CB -1.008 40.787 42.059 -0.439 0.000 1.090 84 L HN 0.131 nan 8.230 nan 0.000 0.430 85 V N -2.131 117.628 119.914 -0.259 0.000 2.484 85 V HA -0.001 4.125 4.120 0.011 0.000 0.236 85 V C 1.502 177.489 176.094 -0.180 0.000 1.062 85 V CA 0.300 62.463 62.300 -0.228 0.000 1.081 85 V CB -0.204 31.478 31.823 -0.235 0.000 0.751 85 V HN 0.245 nan 8.190 nan 0.000 0.484 86 M N 0.568 120.074 119.600 -0.156 0.000 3.422 86 M HA 0.260 4.747 4.480 0.011 0.000 0.248 86 M C 0.533 176.851 176.300 0.029 0.000 1.433 86 M CA 0.086 55.327 55.300 -0.099 0.000 1.592 86 M CB -0.507 32.031 32.600 -0.103 0.000 1.078 86 M HN 0.347 nan 8.290 nan 0.000 0.578 87 F N 1.637 121.472 119.950 -0.192 0.000 2.298 87 F HA 0.258 4.792 4.527 0.011 0.000 0.282 87 F C 2.042 177.817 175.800 -0.040 0.000 1.045 87 F CA 0.975 58.900 58.000 -0.125 0.000 1.280 87 F CB -0.368 38.530 39.000 -0.169 0.000 1.114 87 F HN 0.426 nan 8.300 nan 0.000 0.546 88 A N 1.375 124.089 122.820 -0.178 0.000 1.837 88 A HA -0.154 4.173 4.320 0.011 0.000 0.216 88 A C -0.141 177.429 177.584 -0.023 0.000 1.210 88 A CA 2.340 54.199 52.037 -0.297 0.000 0.632 88 A CB -2.258 16.054 19.000 -1.147 0.000 0.843 88 A HN 0.309 nan 8.150 nan 0.000 0.448 89 P HA -0.245 nan 4.420 nan 0.000 0.218 89 P C 1.496 178.890 177.300 0.157 0.000 1.165 89 P CA 1.750 64.799 63.100 -0.085 0.000 0.922 89 P CB -0.246 31.337 31.700 -0.195 0.000 0.794 90 F N -0.909 119.057 119.950 0.026 0.000 2.008 90 F HA -0.283 4.250 4.527 0.011 0.000 0.297 90 F C 2.189 178.103 175.800 0.191 0.000 1.156 90 F CA 1.600 59.655 58.000 0.091 0.000 1.191 90 F CB -1.394 37.640 39.000 0.056 0.000 0.955 90 F HN -0.204 nan 8.300 nan 0.000 0.497 91 F N 0.837 120.709 119.950 -0.130 0.000 2.063 91 F HA -0.306 4.228 4.527 0.011 0.000 0.298 91 F C 2.349 178.089 175.800 -0.100 0.000 1.105 91 F CA 2.253 60.062 58.000 -0.318 0.000 1.215 91 F CB -0.829 37.663 39.000 -0.846 0.000 0.972 91 F HN 0.048 nan 8.300 nan 0.000 0.483 92 I N -2.406 118.269 120.570 0.176 0.000 2.400 92 I HA -0.239 3.938 4.170 0.011 0.000 0.248 92 I C 1.916 178.102 176.117 0.115 0.000 1.109 92 I CA 0.834 62.278 61.300 0.240 0.000 1.425 92 I CB -0.431 37.842 38.000 0.455 0.000 1.094 92 I HN -0.025 nan 8.210 nan 0.000 0.425 93 F N 0.490 120.429 119.950 -0.018 0.000 2.530 93 F HA 0.162 4.696 4.527 0.011 0.000 0.292 93 F C 1.954 177.678 175.800 -0.126 0.000 1.109 93 F CA 0.860 58.827 58.000 -0.054 0.000 1.450 93 F CB 0.026 39.023 39.000 -0.006 0.000 1.114 93 F HN -0.075 nan 8.300 nan 0.000 0.560 94 I N -4.009 116.539 120.570 -0.036 0.000 4.624 94 I HA 0.020 4.197 4.170 0.011 0.000 0.327 94 I C 1.702 177.655 176.117 -0.274 0.000 1.295 94 I CA 0.091 61.296 61.300 -0.159 0.000 1.267 94 I CB -0.224 37.709 38.000 -0.113 0.000 1.249 94 I HN -0.103 nan 8.210 nan 0.000 0.440 95 F N 3.183 122.704 119.950 -0.715 0.000 2.016 95 F HA 0.158 4.691 4.527 0.011 0.000 0.290 95 F C 2.414 178.060 175.800 -0.255 0.000 1.166 95 F CA 1.928 59.557 58.000 -0.618 0.000 1.156 95 F CB -1.013 37.514 39.000 -0.789 0.000 0.995 95 F HN -0.025 nan 8.300 nan 0.000 0.477 96 G N 0.660 109.312 108.800 -0.247 0.000 2.469 96 G HA2 -0.216 3.750 3.960 0.011 0.000 0.219 96 G HA3 -0.216 3.750 3.960 0.011 0.000 0.219 96 G C -1.322 173.375 174.900 -0.338 0.000 1.150 96 G CA 0.670 45.500 45.100 -0.450 0.000 0.763 96 G HN 0.327 nan 8.290 nan 0.000 0.561 97 P HA 0.215 nan 4.420 nan 0.000 0.279 97 P C 0.525 177.726 177.300 -0.165 0.000 1.451 97 P CA 0.602 63.559 63.100 -0.238 0.000 0.783 97 P CB -0.126 31.399 31.700 -0.292 0.000 1.490 98 L N -3.279 117.869 121.223 -0.125 0.000 2.885 98 L HA 0.120 4.467 4.340 0.011 0.000 0.263 98 L C 1.778 178.601 176.870 -0.078 0.000 1.033 98 L CA 0.119 54.932 54.840 -0.045 0.000 1.051 98 L CB -0.159 41.880 42.059 -0.032 0.000 1.860 98 L HN -0.091 nan 8.230 nan 0.000 0.544 99 L N 0.027 121.117 121.223 -0.222 0.000 1.971 99 L HA -0.173 4.174 4.340 0.011 0.000 0.208 99 L C 2.377 179.108 176.870 -0.232 0.000 1.083 99 L CA 1.768 56.436 54.840 -0.285 0.000 0.753 99 L CB -0.576 41.156 42.059 -0.544 0.000 0.893 99 L HN 0.384 nan 8.230 nan 0.000 0.436 100 Q N -0.272 119.353 119.800 -0.292 0.000 2.045 100 Q HA -0.263 4.083 4.340 0.011 0.000 0.206 100 Q C 0.512 176.445 176.000 -0.112 0.000 0.991 100 Q CA 1.477 57.137 55.803 -0.239 0.000 0.851 100 Q CB -0.217 28.346 28.738 -0.292 0.000 0.911 100 Q HN 0.294 nan 8.270 nan 0.000 0.418 101 Y N 2.654 122.830 120.300 -0.205 0.000 2.691 101 Y HA -0.026 4.530 4.550 0.011 0.000 0.359 101 Y C -0.472 175.353 175.900 -0.124 0.000 1.292 101 Y CA 0.239 58.250 58.100 -0.148 0.000 1.822 101 Y CB -0.911 37.469 38.460 -0.133 0.000 1.481 101 Y HN 0.152 nan 8.280 nan 0.000 0.461 102 N N 6.355 124.940 118.700 -0.192 0.000 2.411 102 N HA 0.118 4.864 4.740 0.011 0.000 0.282 102 N C -0.936 174.509 175.510 -0.108 0.000 1.322 102 N CA 0.356 53.321 53.050 -0.142 0.000 0.943 102 N CB 0.094 38.495 38.487 -0.144 0.000 1.266 102 N HN 0.471 nan 8.380 nan 0.000 0.486 103 I N 3.046 123.582 120.570 -0.055 0.000 2.604 103 I HA -0.046 4.131 4.170 0.011 0.000 0.260 103 I C -0.057 176.053 176.117 -0.012 0.000 1.371 103 I CA -0.190 61.100 61.300 -0.017 0.000 1.015 103 I CB 0.745 38.757 38.000 0.018 0.000 1.395 103 I HN 0.375 nan 8.210 nan 0.000 0.498 104 L N 4.360 125.572 121.223 -0.018 0.000 2.116 104 L HA 0.141 4.487 4.340 0.011 0.000 0.200 104 L C 1.967 178.854 176.870 0.029 0.000 1.084 104 L CA 1.472 56.303 54.840 -0.016 0.000 0.766 104 L CB -0.078 41.958 42.059 -0.038 0.000 0.930 104 L HN 0.302 nan 8.230 nan 0.000 0.453 105 V N 1.284 121.221 119.914 0.038 0.000 2.238 105 V HA -0.422 3.705 4.120 0.011 0.000 0.253 105 V C 2.588 178.740 176.094 0.096 0.000 1.050 105 V CA 2.497 64.838 62.300 0.068 0.000 1.045 105 V CB -2.141 29.716 31.823 0.056 0.000 0.670 105 V HN 0.690 nan 8.190 nan 0.000 0.469 106 G N -0.581 108.268 108.800 0.082 0.000 2.550 106 G HA2 -0.352 3.615 3.960 0.011 0.000 0.222 106 G HA3 -0.352 3.615 3.960 0.011 0.000 0.222 106 G C 1.786 176.751 174.900 0.109 0.000 1.113 106 G CA 2.046 47.202 45.100 0.093 0.000 0.748 106 G HN 0.767 nan 8.290 nan 0.000 0.585 107 S N 0.159 115.920 115.700 0.102 0.000 2.427 107 S HA 0.080 4.557 4.470 0.011 0.000 0.224 107 S C 2.289 177.020 174.600 0.218 0.000 1.047 107 S CA 0.612 58.889 58.200 0.128 0.000 0.953 107 S CB -0.314 62.933 63.200 0.079 0.000 0.824 107 S HN 0.307 nan 8.310 nan 0.000 0.502 108 I N 2.169 122.864 120.570 0.210 0.000 2.103 108 I HA -0.261 3.915 4.170 0.011 0.000 0.241 108 I C 2.523 178.854 176.117 0.356 0.000 1.036 108 I CA 1.674 63.172 61.300 0.330 0.000 1.300 108 I CB -1.062 37.078 38.000 0.234 0.000 1.010 108 I HN 0.182 nan 8.210 nan 0.000 0.406 109 V N 1.166 121.251 119.914 0.285 0.000 2.231 109 V HA -0.301 3.825 4.120 0.011 0.000 0.250 109 V C 2.201 178.466 176.094 0.284 0.000 1.058 109 V CA 2.342 64.826 62.300 0.307 0.000 1.022 109 V CB -1.460 30.538 31.823 0.293 0.000 0.640 109 V HN 0.667 nan 8.190 nan 0.000 0.445 110 G N -0.885 108.033 108.800 0.197 0.000 3.229 110 G HA2 0.297 4.263 3.960 0.011 0.000 0.214 110 G HA3 0.297 4.263 3.960 0.011 0.000 0.214 110 G C 0.711 175.740 174.900 0.215 0.000 1.256 110 G CA 0.710 45.874 45.100 0.106 0.000 1.042 110 G HN 0.811 nan 8.290 nan 0.000 0.497 111 G N -0.293 108.693 108.800 0.310 0.000 5.068 111 G HA2 0.218 4.185 3.960 0.011 0.000 0.218 111 G HA3 0.218 4.185 3.960 0.011 0.000 0.218 111 G C 0.242 175.239 174.900 0.162 0.000 0.891 111 G CA -0.442 44.900 45.100 0.404 0.000 0.776 111 G HN 0.309 nan 8.290 nan 0.000 0.284 112 I N 0.593 121.291 120.570 0.213 0.000 3.531 112 I HA 0.355 4.532 4.170 0.011 0.000 0.341 112 I C 0.422 176.316 176.117 -0.372 0.000 1.550 112 I CA -0.254 61.034 61.300 -0.021 0.000 1.087 112 I CB 0.265 38.244 38.000 -0.035 0.000 1.408 112 I HN 0.103 nan 8.210 nan 0.000 0.484 113 Y N -0.548 119.501 120.300 -0.419 0.000 2.572 113 Y HA 0.249 4.806 4.550 0.012 0.000 0.274 113 Y C 1.457 176.873 175.900 -0.806 0.000 1.135 113 Y CA -0.386 57.379 58.100 -0.559 0.000 1.230 113 Y CB 0.246 38.364 38.460 -0.570 0.000 1.293 113 Y HN 0.063 nan 8.280 nan 0.000 0.501 114 L N 0.523 121.424 121.223 -0.536 0.000 2.718 114 L HA 0.259 4.606 4.340 0.011 0.000 0.242 114 L C 1.546 178.228 176.870 -0.314 0.000 1.203 114 L CA 0.583 55.041 54.840 -0.637 0.000 1.011 114 L CB -0.445 41.108 42.059 -0.843 0.000 1.250 114 L HN 0.255 nan 8.230 nan 0.000 0.437 115 G N -1.300 107.376 108.800 -0.206 0.000 2.784 115 G HA2 -0.106 3.861 3.960 0.011 0.000 0.208 115 G HA3 -0.106 3.861 3.960 0.011 0.000 0.208 115 G C 1.123 176.060 174.900 0.062 0.000 1.120 115 G CA 0.264 45.357 45.100 -0.012 0.000 0.774 115 G HN 0.445 nan 8.290 nan 0.000 0.528 116 F N 1.264 121.081 119.950 -0.222 0.000 2.615 116 F HA 0.184 4.718 4.527 0.011 0.000 0.297 116 F C 1.503 177.067 175.800 -0.393 0.000 1.124 116 F CA -1.179 56.619 58.000 -0.337 0.000 1.451 116 F CB -1.309 37.289 39.000 -0.671 0.000 1.103 116 F HN 0.067 nan 8.300 nan 0.000 0.569 117 C N 0.801 120.292 119.300 0.318 0.000 2.525 117 C HA 0.121 4.588 4.460 0.011 0.000 0.279 117 C C 1.729 176.378 174.990 -0.567 0.000 1.437 117 C CA 0.266 59.221 59.018 -0.105 0.000 1.704 117 C CB -2.500 24.930 27.740 -0.517 0.000 1.672 117 C HN 0.465 nan 8.230 nan 0.000 0.582 118 F N 1.016 120.951 119.950 -0.026 0.000 2.102 118 F HA 0.170 4.704 4.527 0.011 0.000 0.245 118 F C 1.827 177.662 175.800 0.058 0.000 1.049 118 F CA 0.438 58.406 58.000 -0.053 0.000 1.227 118 F CB -0.992 37.810 39.000 -0.331 0.000 1.527 118 F HN -0.006 nan 8.300 nan 0.000 0.624 119 N N 1.438 120.301 118.700 0.271 0.000 2.028 119 N HA -0.132 4.614 4.740 0.011 0.000 0.194 119 N C 1.755 177.331 175.510 0.110 0.000 1.050 119 N CA 1.599 54.783 53.050 0.223 0.000 0.848 119 N CB -1.012 37.626 38.487 0.251 0.000 1.038 119 N HN 0.255 nan 8.380 nan 0.000 0.423 120 A N 0.459 123.255 122.820 -0.040 0.000 1.877 120 A HA 0.048 4.375 4.320 0.011 0.000 0.216 120 A C 2.395 179.841 177.584 -0.231 0.000 1.186 120 A CA 1.853 53.750 52.037 -0.234 0.000 0.620 120 A CB -1.608 16.977 19.000 -0.693 0.000 0.822 120 A HN 0.410 nan 8.150 nan 0.000 0.443 121 G N -0.331 108.291 108.800 -0.296 0.000 2.587 121 G HA2 -0.092 3.875 3.960 0.011 0.000 0.217 121 G HA3 -0.092 3.875 3.960 0.011 0.000 0.217 121 G C 1.856 176.845 174.900 0.149 0.000 1.240 121 G CA 2.218 47.279 45.100 -0.065 0.000 0.794 121 G HN 1.022 nan 8.290 nan 0.000 0.580 122 A N 1.918 124.915 122.820 0.295 0.000 1.916 122 A HA -0.210 4.117 4.320 0.011 0.000 0.224 122 A C 1.081 178.864 177.584 0.332 0.000 1.366 122 A CA 3.142 55.442 52.037 0.439 0.000 0.692 122 A CB -1.664 17.625 19.000 0.482 0.000 0.841 122 A HN 0.482 nan 8.150 nan 0.000 0.480 123 P HA -0.122 nan 4.420 nan 0.000 0.214 123 P C 1.651 179.108 177.300 0.261 0.000 1.162 123 P CA 2.025 65.277 63.100 0.254 0.000 0.874 123 P CB -0.397 31.422 31.700 0.199 0.000 0.784 124 A N -0.221 122.745 122.820 0.243 0.000 2.054 124 A HA -0.178 4.149 4.320 0.011 0.000 0.223 124 A C 2.333 180.083 177.584 0.275 0.000 1.169 124 A CA 2.146 54.346 52.037 0.271 0.000 0.655 124 A CB -1.715 17.496 19.000 0.351 0.000 0.812 124 A HN 0.105 nan 8.150 nan 0.000 0.462 125 V N -0.721 119.355 119.914 0.270 0.000 2.298 125 V HA -0.204 3.923 4.120 0.011 0.000 0.226 125 V C 2.102 178.458 176.094 0.436 0.000 1.053 125 V CA 1.688 64.180 62.300 0.319 0.000 1.029 125 V CB -1.211 30.732 31.823 0.200 0.000 0.659 125 V HN 0.675 nan 8.190 nan 0.000 0.470 126 E N 0.672 121.207 120.200 0.559 0.000 2.246 126 E HA -0.400 3.957 4.350 0.011 0.000 0.232 126 E C 2.102 178.911 176.600 0.348 0.000 1.087 126 E CA 2.083 58.811 56.400 0.547 0.000 0.964 126 E CB -0.624 29.410 29.700 0.556 0.000 0.827 126 E HN 0.605 nan 8.360 nan 0.000 0.476 127 A N 0.885 123.878 122.820 0.288 0.000 1.841 127 A HA -0.235 4.091 4.320 0.011 0.000 0.216 127 A C 2.085 179.733 177.584 0.106 0.000 1.199 127 A CA 1.798 53.938 52.037 0.172 0.000 0.621 127 A CB -1.083 18.020 19.000 0.171 0.000 0.835 127 A HN 0.381 nan 8.150 nan 0.000 0.445 128 F N 0.537 120.512 119.950 0.041 0.000 2.091 128 F HA -0.241 4.292 4.527 0.011 0.000 0.299 128 F C 1.824 177.560 175.800 -0.107 0.000 1.103 128 F CA 1.958 59.947 58.000 -0.018 0.000 1.228 128 F CB -0.427 38.600 39.000 0.046 0.000 0.984 128 F HN 0.167 nan 8.300 nan 0.000 0.477 129 I N 1.346 122.027 120.570 0.185 0.000 2.185 129 I HA -0.326 3.850 4.170 0.011 0.000 0.246 129 I C 2.666 178.561 176.117 -0.371 0.000 1.088 129 I CA 2.040 63.313 61.300 -0.044 0.000 1.347 129 I CB -1.123 36.905 38.000 0.045 0.000 1.041 129 I HN 0.421 nan 8.210 nan 0.000 0.415 130 E N 1.648 121.603 120.200 -0.408 0.000 2.106 130 E HA -0.250 4.107 4.350 0.011 0.000 0.192 130 E C 1.916 178.161 176.600 -0.593 0.000 0.984 130 E CA 1.366 57.303 56.400 -0.773 0.000 0.806 130 E CB -0.259 28.720 29.700 -1.201 0.000 0.750 130 E HN 0.516 nan 8.360 nan 0.000 0.458 131 K N 0.591 120.671 120.400 -0.533 0.000 2.280 131 K HA -0.060 4.267 4.320 0.011 0.000 0.202 131 K C 2.206 178.477 176.600 -0.548 0.000 1.047 131 K CA 1.276 57.267 56.287 -0.492 0.000 0.942 131 K CB -0.010 32.187 32.500 -0.505 0.000 0.739 131 K HN 0.051 nan 8.250 nan 0.000 0.457 132 V N 0.056 119.547 119.914 -0.706 0.000 2.667 132 V HA -0.100 4.026 4.120 0.011 0.000 0.252 132 V C 1.525 177.328 176.094 -0.485 0.000 1.065 132 V CA 1.416 63.271 62.300 -0.743 0.000 1.083 132 V CB 0.078 31.162 31.823 -1.231 0.000 0.692 132 V HN 0.127 nan 8.190 nan 0.000 0.468 133 S N -1.356 114.100 115.700 -0.405 0.000 2.664 133 S HA 0.290 4.767 4.470 0.011 0.000 0.245 133 S C 1.532 176.001 174.600 -0.219 0.000 1.019 133 S CA -0.291 57.772 58.200 -0.228 0.000 0.996 133 S CB 0.077 63.208 63.200 -0.114 0.000 0.878 133 S HN 0.500 nan 8.310 nan 0.000 0.493 134 R N 0.184 120.522 120.500 -0.269 0.000 2.279 134 R HA 0.305 4.652 4.340 0.011 0.000 0.195 134 R C 2.025 178.220 176.300 -0.175 0.000 0.905 134 R CA -0.018 55.947 56.100 -0.225 0.000 1.044 134 R CB 0.177 30.318 30.300 -0.266 0.000 1.056 134 R HN 0.082 nan 8.270 nan 0.000 0.535 135 R N 0.387 120.768 120.500 -0.197 0.000 1.654 135 R HA 0.132 4.479 4.340 0.011 0.000 0.124 135 R C 0.050 176.286 176.300 -0.107 0.000 1.833 135 R CA 0.486 56.491 56.100 -0.158 0.000 1.809 135 R CB -0.858 29.324 30.300 -0.197 0.000 1.113 135 R HN -0.008 nan 8.270 nan 0.000 0.531 136 S N 2.540 118.179 115.700 -0.101 0.000 2.870 136 S HA -0.038 4.439 4.470 0.011 0.000 0.334 136 S C -0.369 174.235 174.600 0.006 0.000 1.115 136 S CA -0.127 58.055 58.200 -0.029 0.000 1.570 136 S CB -1.573 61.614 63.200 -0.021 0.000 1.405 136 S HN 0.344 nan 8.310 nan 0.000 0.605 137 N N 4.311 123.034 118.700 0.038 0.000 2.458 137 N HA 0.373 5.120 4.740 0.011 0.000 0.258 137 N C -0.397 175.183 175.510 0.116 0.000 1.219 137 N CA -0.057 53.036 53.050 0.073 0.000 0.902 137 N CB 0.476 39.020 38.487 0.094 0.000 1.076 137 N HN 0.603 nan 8.380 nan 0.000 0.455 138 F N 0.038 119.877 119.950 -0.185 0.000 3.732 138 F HA 0.213 4.746 4.527 0.011 0.000 0.330 138 F C -1.542 174.111 175.800 -0.245 0.000 1.111 138 F CA -0.893 56.765 58.000 -0.570 0.000 0.854 138 F CB 1.189 39.738 39.000 -0.753 0.000 1.653 138 F HN 0.429 nan 8.300 nan 0.000 0.508 139 E N 1.327 121.758 120.200 0.385 0.000 2.293 139 E HA 0.276 4.632 4.350 0.011 0.000 0.270 139 E C -0.572 176.275 176.600 0.410 0.000 0.879 139 E CA -0.632 55.927 56.400 0.265 0.000 0.756 139 E CB 1.829 31.645 29.700 0.193 0.000 1.208 139 E HN 0.593 nan 8.360 nan 0.000 0.428 140 F N 0.029 120.036 119.950 0.095 0.000 2.765 140 F HA 0.364 4.897 4.527 0.011 0.000 0.302 140 F C 1.341 177.228 175.800 0.144 0.000 1.111 140 F CA -0.483 57.576 58.000 0.099 0.000 1.359 140 F CB 0.383 39.371 39.000 -0.020 0.000 1.097 140 F HN 0.634 nan 8.300 nan 0.000 0.577 141 G N 1.233 110.242 108.800 0.348 0.000 2.653 141 G HA2 -0.126 3.841 3.960 0.011 0.000 0.212 141 G HA3 -0.126 3.841 3.960 0.011 0.000 0.212 141 G C 1.601 176.626 174.900 0.208 0.000 1.138 141 G CA 0.047 45.229 45.100 0.137 0.000 0.782 141 G HN 0.281 nan 8.290 nan 0.000 0.535 142 R N -0.849 119.797 120.500 0.243 0.000 2.419 142 R HA 0.315 4.661 4.340 0.011 0.000 0.235 142 R C 2.147 178.655 176.300 0.348 0.000 0.899 142 R CA 0.691 56.959 56.100 0.280 0.000 1.048 142 R CB 0.491 30.918 30.300 0.212 0.000 1.182 142 R HN 0.287 nan 8.270 nan 0.000 0.544 143 A N 0.719 123.720 122.820 0.301 0.000 1.973 143 A HA -0.018 4.309 4.320 0.011 0.000 0.210 143 A C 2.078 179.823 177.584 0.268 0.000 1.200 143 A CA 0.505 52.669 52.037 0.211 0.000 0.707 143 A CB -0.049 19.086 19.000 0.224 0.000 0.862 143 A HN 0.120 nan 8.150 nan 0.000 0.461 144 R N -0.149 120.448 120.500 0.162 0.000 2.073 144 R HA 0.072 4.418 4.340 0.011 0.000 0.229 144 R C 1.212 177.693 176.300 0.301 0.000 1.120 144 R CA 1.456 57.790 56.100 0.390 0.000 0.967 144 R CB -0.337 30.049 30.300 0.144 0.000 0.862 144 R HN 0.328 nan 8.270 nan 0.000 0.436 145 M N 0.588 120.314 119.600 0.209 0.000 2.843 145 M HA 0.006 4.493 4.480 0.011 0.000 0.201 145 M C 0.207 176.682 176.300 0.291 0.000 1.148 145 M CA 0.709 56.110 55.300 0.168 0.000 1.054 145 M CB -0.225 32.452 32.600 0.129 0.000 1.810 145 M HN 0.235 nan 8.290 nan 0.000 0.464 146 F N -0.405 119.625 119.950 0.133 0.000 2.658 146 F HA 0.358 4.892 4.527 0.011 0.000 0.293 146 F C 1.974 177.875 175.800 0.168 0.000 0.986 146 F CA 0.400 58.488 58.000 0.148 0.000 1.182 146 F CB -0.139 38.924 39.000 0.106 0.000 0.965 146 F HN 0.121 nan 8.300 nan 0.000 0.659 147 G N -1.205 107.740 108.800 0.242 0.000 2.920 147 G HA2 -0.088 3.878 3.960 0.011 0.000 0.208 147 G HA3 -0.088 3.878 3.960 0.011 0.000 0.208 147 G C 1.168 176.047 174.900 -0.034 0.000 1.159 147 G CA 0.790 45.898 45.100 0.015 0.000 0.784 147 G HN 0.405 nan 8.290 nan 0.000 0.535 148 C N -0.131 119.199 119.300 0.051 0.000 2.673 148 C HA 0.381 4.848 4.460 0.011 0.000 0.274 148 C C 2.344 177.311 174.990 -0.039 0.000 1.276 148 C CA -0.045 59.022 59.018 0.082 0.000 1.701 148 C CB -0.909 26.846 27.740 0.025 0.000 1.836 148 C HN 0.253 nan 8.230 nan 0.000 0.596 149 V N 0.016 119.815 119.914 -0.192 0.000 3.125 149 V HA 0.167 4.294 4.120 0.011 0.000 0.249 149 V C 2.371 178.156 176.094 -0.514 0.000 1.113 149 V CA 1.928 64.052 62.300 -0.292 0.000 1.106 149 V CB -0.080 31.561 31.823 -0.304 0.000 0.768 149 V HN 0.573 nan 8.190 nan 0.000 0.468 150 G N -0.153 108.134 108.800 -0.855 0.000 2.408 150 G HA2 -0.271 3.695 3.960 0.011 0.000 0.217 150 G HA3 -0.271 3.695 3.960 0.011 0.000 0.217 150 G C 1.469 176.144 174.900 -0.374 0.000 1.150 150 G CA 0.906 45.448 45.100 -0.930 0.000 0.776 150 G HN 0.643 nan 8.290 nan 0.000 0.542 151 W N 1.988 123.077 121.300 -0.351 0.000 2.378 151 W HA 0.089 4.756 4.660 0.011 0.000 0.313 151 W C 2.312 178.571 176.519 -0.433 0.000 1.197 151 W CA 1.775 58.893 57.345 -0.379 0.000 1.304 151 W CB -0.888 28.352 29.460 -0.366 0.000 1.148 151 W HN 0.309 nan 8.180 nan 0.000 0.494 152 A N 1.461 124.309 122.820 0.046 0.000 1.903 152 A HA -0.249 4.078 4.320 0.011 0.000 0.219 152 A C 2.104 179.491 177.584 -0.330 0.000 1.191 152 A CA 2.744 54.697 52.037 -0.141 0.000 0.638 152 A CB -1.114 17.881 19.000 -0.009 0.000 0.823 152 A HN 0.338 nan 8.150 nan 0.000 0.451 153 L N -0.516 120.507 121.223 -0.334 0.000 2.095 153 L HA 0.055 4.402 4.340 0.011 0.000 0.204 153 L C 2.783 179.326 176.870 -0.545 0.000 1.080 153 L CA 1.717 56.361 54.840 -0.327 0.000 0.759 153 L CB -1.302 40.625 42.059 -0.220 0.000 0.914 153 L HN 0.394 nan 8.230 nan 0.000 0.439 154 G N -0.919 107.291 108.800 -0.984 0.000 2.462 154 G HA2 -0.200 3.766 3.960 0.011 0.000 0.220 154 G HA3 -0.200 3.766 3.960 0.011 0.000 0.220 154 G C 1.644 176.005 174.900 -0.898 0.000 1.121 154 G CA 0.951 45.049 45.100 -1.671 0.000 0.758 154 G HN 0.485 nan 8.290 nan 0.000 0.559 155 A N 1.560 123.919 122.820 -0.767 0.000 1.825 155 A HA 0.018 4.345 4.320 0.011 0.000 0.214 155 A C 2.769 180.145 177.584 -0.347 0.000 1.206 155 A CA 2.612 54.227 52.037 -0.703 0.000 0.609 155 A CB -1.152 17.335 19.000 -0.855 0.000 0.851 155 A HN 0.743 nan 8.150 nan 0.000 0.445 156 S N 1.633 117.205 115.700 -0.215 0.000 2.422 156 S HA -0.329 4.148 4.470 0.011 0.000 0.248 156 S C 1.773 176.430 174.600 0.096 0.000 1.069 156 S CA 2.197 60.422 58.200 0.042 0.000 1.214 156 S CB -1.682 61.532 63.200 0.024 0.000 1.122 156 S HN 0.847 nan 8.310 nan 0.000 0.432 157 I N 0.332 120.922 120.570 0.033 0.000 2.850 157 I HA 0.017 4.194 4.170 0.011 0.000 0.266 157 I C 2.280 178.473 176.117 0.127 0.000 1.257 157 I CA 0.904 62.260 61.300 0.093 0.000 1.465 157 I CB -0.555 37.510 38.000 0.109 0.000 1.091 157 I HN 0.287 nan 8.210 nan 0.000 0.467 158 V N 1.745 121.713 119.914 0.091 0.000 2.992 158 V HA 0.152 4.279 4.120 0.011 0.000 0.250 158 V C 2.415 178.719 176.094 0.349 0.000 1.090 158 V CA 1.542 63.955 62.300 0.188 0.000 1.101 158 V CB 0.013 31.860 31.823 0.041 0.000 0.743 158 V HN 0.506 nan 8.190 nan 0.000 0.468 159 G N -0.098 108.941 108.800 0.398 0.000 2.432 159 G HA2 -0.200 3.767 3.960 0.011 0.000 0.219 159 G HA3 -0.200 3.767 3.960 0.011 0.000 0.219 159 G C 1.497 176.424 174.900 0.046 0.000 1.135 159 G CA 1.189 46.424 45.100 0.224 0.000 0.767 159 G HN 0.517 nan 8.290 nan 0.000 0.550 160 I N 0.374 120.991 120.570 0.080 0.000 2.277 160 I HA -0.056 4.121 4.170 0.011 0.000 0.243 160 I C 2.689 178.858 176.117 0.087 0.000 1.094 160 I CA 0.709 62.040 61.300 0.052 0.000 1.393 160 I CB -0.038 38.015 38.000 0.088 0.000 1.078 160 I HN 0.079 nan 8.210 nan 0.000 0.417 161 M N -0.651 119.038 119.600 0.149 0.000 2.476 161 M HA -0.151 4.336 4.480 0.011 0.000 0.262 161 M C 2.192 178.609 176.300 0.195 0.000 1.079 161 M CA 1.469 56.868 55.300 0.164 0.000 1.104 161 M CB -0.819 31.945 32.600 0.275 0.000 1.409 161 M HN 0.203 nan 8.290 nan 0.000 0.467 162 F N 1.704 121.677 119.950 0.037 0.000 2.206 162 F HA -0.163 4.371 4.527 0.011 0.000 0.298 162 F C 2.638 178.427 175.800 -0.018 0.000 1.090 162 F CA 1.944 59.949 58.000 0.008 0.000 1.323 162 F CB -0.316 38.644 39.000 -0.065 0.000 1.028 162 F HN 0.267 nan 8.300 nan 0.000 0.492 163 T N -1.522 113.059 114.554 0.045 0.000 2.809 163 T HA -0.136 4.221 4.350 0.011 0.000 0.260 163 T C 2.242 176.902 174.700 -0.066 0.000 1.039 163 T CA 1.463 63.536 62.100 -0.045 0.000 1.141 163 T CB -0.993 67.857 68.868 -0.031 0.000 0.869 163 T HN 0.308 nan 8.240 nan 0.000 0.437 164 I N 1.667 122.215 120.570 -0.037 0.000 2.151 164 I HA -0.111 4.066 4.170 0.011 0.000 0.243 164 I C 0.873 176.948 176.117 -0.069 0.000 1.080 164 I CA 1.368 62.634 61.300 -0.056 0.000 1.339 164 I CB -0.273 37.690 38.000 -0.063 0.000 1.039 164 I HN 0.417 nan 8.210 nan 0.000 0.409 165 N N -0.137 118.528 118.700 -0.059 0.000 2.999 165 N HA -0.005 4.742 4.740 0.011 0.000 0.244 165 N C 0.156 175.608 175.510 -0.097 0.000 1.106 165 N CA -0.355 52.655 53.050 -0.067 0.000 1.018 165 N CB 0.587 39.075 38.487 0.002 0.000 1.600 165 N HN 0.033 nan 8.380 nan 0.000 0.621 166 N N 2.509 121.008 118.700 -0.335 0.000 2.666 166 N HA -0.146 4.601 4.740 0.011 0.000 0.194 166 N C 0.151 175.657 175.510 -0.005 0.000 1.220 166 N CA 1.075 53.724 53.050 -0.668 0.000 0.928 166 N CB 0.209 38.165 38.487 -0.884 0.000 0.997 166 N HN 0.744 nan 8.380 nan 0.000 0.447 167 Q N -1.373 118.514 119.800 0.144 0.000 2.313 167 Q HA 0.150 4.497 4.340 0.011 0.000 0.263 167 Q C 0.954 177.180 176.000 0.376 0.000 0.820 167 Q CA -0.408 55.611 55.803 0.361 0.000 0.974 167 Q CB -0.077 28.893 28.738 0.387 0.000 1.156 167 Q HN 0.201 nan 8.270 nan 0.000 0.517 168 F N 1.941 121.969 119.950 0.130 0.000 2.147 168 F HA -0.282 4.252 4.527 0.011 0.000 0.301 168 F C 1.929 177.861 175.800 0.220 0.000 1.084 168 F CA 1.261 59.347 58.000 0.143 0.000 1.268 168 F CB -0.211 38.834 39.000 0.075 0.000 1.009 168 F HN -0.184 nan 8.300 nan 0.000 0.486 169 V N -0.189 119.848 119.914 0.205 0.000 2.278 169 V HA -0.352 3.775 4.120 0.011 0.000 0.251 169 V C 2.075 178.086 176.094 -0.139 0.000 1.062 169 V CA 2.109 64.405 62.300 -0.006 0.000 1.038 169 V CB -0.923 30.835 31.823 -0.109 0.000 0.646 169 V HN 0.256 nan 8.190 nan 0.000 0.447 170 F N -1.891 118.216 119.950 0.261 0.000 2.788 170 F HA -0.024 4.510 4.527 0.012 0.000 0.300 170 F C 1.360 177.087 175.800 -0.121 0.000 1.229 170 F CA 0.202 58.216 58.000 0.023 0.000 1.446 170 F CB -0.786 38.197 39.000 -0.027 0.000 1.118 170 F HN 0.275 nan 8.300 nan 0.000 0.579 171 W N -1.986 119.322 121.300 0.013 0.000 2.975 171 W HA 0.259 4.926 4.660 0.011 0.000 0.316 171 W C 1.454 177.890 176.519 -0.138 0.000 1.131 171 W CA -0.082 57.221 57.345 -0.070 0.000 1.624 171 W CB 0.157 29.500 29.460 -0.195 0.000 1.038 171 W HN -0.225 nan 8.180 nan 0.000 0.571 172 L N -0.321 120.889 121.223 -0.021 0.000 2.585 172 L HA 0.305 4.652 4.340 0.011 0.000 0.226 172 L C 2.041 178.890 176.870 -0.035 0.000 1.113 172 L CA 1.112 55.900 54.840 -0.086 0.000 0.876 172 L CB -1.432 40.584 42.059 -0.071 0.000 1.072 172 L HN 0.119 nan 8.230 nan 0.000 0.468 173 G N -0.566 108.302 108.800 0.114 0.000 2.394 173 G HA2 -0.176 3.791 3.960 0.011 0.000 0.214 173 G HA3 -0.176 3.791 3.960 0.011 0.000 0.214 173 G C 1.726 176.611 174.900 -0.024 0.000 1.176 173 G CA 0.791 46.033 45.100 0.236 0.000 0.786 173 G HN 0.335 nan 8.290 nan 0.000 0.533 174 S N 0.398 116.075 115.700 -0.039 0.000 2.325 174 S HA 0.075 4.552 4.470 0.011 0.000 0.214 174 S C 2.463 176.975 174.600 -0.147 0.000 1.031 174 S CA 1.044 59.154 58.200 -0.150 0.000 0.972 174 S CB -0.672 62.372 63.200 -0.260 0.000 0.908 174 S HN 0.475 nan 8.310 nan 0.000 0.453 175 G N 0.747 109.478 108.800 -0.114 0.000 2.524 175 G HA2 -0.280 3.686 3.960 0.011 0.000 0.215 175 G HA3 -0.280 3.686 3.960 0.011 0.000 0.215 175 G C 1.845 176.675 174.900 -0.117 0.000 1.239 175 G CA 1.117 46.161 45.100 -0.093 0.000 0.798 175 G HN 0.601 nan 8.290 nan 0.000 0.557 176 C N 1.057 120.248 119.300 -0.182 0.000 2.369 176 C HA -0.078 4.388 4.460 0.011 0.000 0.273 176 C C 3.183 178.026 174.990 -0.245 0.000 1.172 176 C CA 2.520 61.329 59.018 -0.347 0.000 1.791 176 C CB -1.099 26.310 27.740 -0.551 0.000 2.086 176 C HN 0.564 nan 8.230 nan 0.000 0.459 177 A N 0.362 123.068 122.820 -0.189 0.000 1.982 177 A HA 0.329 4.656 4.320 0.011 0.000 0.217 177 A C 1.895 179.378 177.584 -0.167 0.000 1.457 177 A CA 0.912 52.855 52.037 -0.156 0.000 0.654 177 A CB -1.154 17.720 19.000 -0.211 0.000 1.150 177 A HN 0.912 nan 8.150 nan 0.000 0.509 178 L N 0.393 121.490 121.223 -0.209 0.000 1.925 178 L HA -0.206 4.141 4.340 0.011 0.000 0.232 178 L C 2.008 178.751 176.870 -0.212 0.000 1.089 178 L CA 2.262 56.961 54.840 -0.235 0.000 0.806 178 L CB -1.116 40.803 42.059 -0.235 0.000 0.899 178 L HN 0.356 nan 8.230 nan 0.000 0.435 179 I N -0.340 120.126 120.570 -0.173 0.000 2.151 179 I HA -0.379 3.798 4.170 0.011 0.000 0.236 179 I C 2.727 178.757 176.117 -0.145 0.000 1.000 179 I CA 2.099 63.308 61.300 -0.151 0.000 1.285 179 I CB -1.380 36.556 38.000 -0.108 0.000 0.994 179 I HN 0.470 nan 8.210 nan 0.000 0.396 180 L N 0.323 121.476 121.223 -0.117 0.000 1.970 180 L HA -0.238 4.109 4.340 0.011 0.000 0.212 180 L C 2.885 179.645 176.870 -0.183 0.000 1.071 180 L CA 2.379 57.127 54.840 -0.154 0.000 0.751 180 L CB -2.018 39.953 42.059 -0.146 0.000 0.889 180 L HN 0.320 nan 8.230 nan 0.000 0.432 181 A N 0.408 123.107 122.820 -0.202 0.000 1.909 181 A HA -0.256 4.071 4.320 0.011 0.000 0.221 181 A C 2.177 179.589 177.584 -0.285 0.000 1.223 181 A CA 3.159 55.010 52.037 -0.310 0.000 0.658 181 A CB -1.169 17.555 19.000 -0.460 0.000 0.831 181 A HN 0.426 nan 8.150 nan 0.000 0.462 182 V N -3.139 116.574 119.914 -0.334 0.000 3.461 182 V HA 0.120 4.247 4.120 0.011 0.000 0.267 182 V C 1.823 177.888 176.094 -0.050 0.000 1.186 182 V CA 1.445 63.527 62.300 -0.363 0.000 1.154 182 V CB -0.179 31.418 31.823 -0.375 0.000 0.802 182 V HN 0.335 nan 8.190 nan 0.000 0.474 183 L N 0.156 121.355 121.223 -0.040 0.000 2.375 183 L HA 0.373 4.720 4.340 0.011 0.000 0.215 183 L C 1.769 178.739 176.870 0.166 0.000 1.108 183 L CA 1.432 56.289 54.840 0.028 0.000 0.830 183 L CB -0.536 41.493 42.059 -0.048 0.000 0.959 183 L HN 0.348 nan 8.230 nan 0.000 0.457 184 L N -1.191 120.133 121.223 0.169 0.000 2.693 184 L HA 0.016 4.363 4.340 0.011 0.000 0.242 184 L C 0.603 177.846 176.870 0.621 0.000 1.157 184 L CA 0.322 55.319 54.840 0.263 0.000 0.929 184 L CB -0.602 41.571 42.059 0.191 0.000 1.103 184 L HN 0.177 nan 8.230 nan 0.000 0.430 185 F N -2.060 118.009 119.950 0.198 0.000 2.764 185 F HA 0.175 4.708 4.527 0.011 0.000 0.310 185 F C 1.187 177.276 175.800 0.481 0.000 1.124 185 F CA -0.276 57.898 58.000 0.289 0.000 1.252 185 F CB 0.559 39.804 39.000 0.409 0.000 1.010 185 F HN 0.003 nan 8.300 nan 0.000 0.518 186 F N -1.030 119.053 119.950 0.223 0.000 2.746 186 F HA 0.293 4.827 4.527 0.011 0.000 0.313 186 F C 1.895 177.747 175.800 0.086 0.000 1.095 186 F CA 0.110 58.192 58.000 0.137 0.000 1.224 186 F CB 0.697 39.773 39.000 0.127 0.000 1.060 186 F HN 0.013 nan 8.300 nan 0.000 0.584 187 A N 0.584 123.496 122.820 0.154 0.000 2.220 187 A HA 0.085 4.412 4.320 0.011 0.000 0.211 187 A C 0.890 178.502 177.584 0.046 0.000 1.176 187 A CA -0.285 51.801 52.037 0.082 0.000 0.834 187 A CB -0.438 18.634 19.000 0.120 0.000 0.868 187 A HN 0.301 nan 8.150 nan 0.000 0.488 188 K N -0.407 120.015 120.400 0.037 0.000 2.576 188 K HA -0.025 4.301 4.320 0.011 0.000 0.269 188 K C -0.487 176.101 176.600 -0.021 0.000 0.993 188 K CA 1.161 57.449 56.287 0.001 0.000 1.002 188 K CB -0.221 32.204 32.500 -0.126 0.000 0.831 188 K HN 0.028 nan 8.250 nan 0.000 0.500 189 T N 0.373 114.912 114.554 -0.025 0.000 2.916 189 T HA 0.423 4.780 4.350 0.011 0.000 0.292 189 T C -1.293 173.346 174.700 -0.101 0.000 1.055 189 T CA -0.398 61.662 62.100 -0.068 0.000 1.009 189 T CB 1.740 70.560 68.868 -0.080 0.000 1.118 189 T HN 0.851 nan 8.240 nan 0.000 0.497 190 D N -0.409 119.930 120.400 -0.103 0.000 3.010 190 D HA 0.540 5.186 4.640 0.011 0.000 0.353 190 D C -1.639 174.601 176.300 -0.100 0.000 1.415 190 D CA 0.333 54.268 54.000 -0.109 0.000 0.864 190 D CB 0.649 41.389 40.800 -0.101 0.000 1.445 190 D HN 0.947 nan 8.370 nan 0.000 0.516 191 A N 0.486 123.247 122.820 -0.097 0.000 1.597 191 A HA 0.007 4.334 4.320 0.011 0.000 0.206 191 A C -2.308 175.224 177.584 -0.086 0.000 1.281 191 A CA 0.176 52.161 52.037 -0.087 0.000 0.662 191 A CB -1.650 17.305 19.000 -0.074 0.000 1.153 191 A HN 0.376 nan 8.150 nan 0.000 0.200 192 P HA 0.097 nan 4.420 nan 0.000 0.253 192 P C 1.036 178.291 177.300 -0.075 0.000 1.159 192 P CA 0.870 63.917 63.100 -0.089 0.000 0.779 192 P CB 0.444 32.091 31.700 -0.088 0.000 0.745 193 S N 1.068 116.724 115.700 -0.073 0.000 2.431 193 S HA 0.023 4.499 4.470 0.011 0.000 0.210 193 S C 1.026 175.592 174.600 -0.058 0.000 1.013 193 S CA 0.283 58.446 58.200 -0.062 0.000 0.920 193 S CB -0.170 62.995 63.200 -0.058 0.000 0.882 193 S HN 0.298 nan 8.310 nan 0.000 0.567 194 S N 1.446 117.111 115.700 -0.059 0.000 2.651 194 S HA 0.818 5.295 4.470 0.011 0.000 0.246 194 S C -0.145 174.419 174.600 -0.059 0.000 1.039 194 S CA -0.025 58.141 58.200 -0.056 0.000 1.013 194 S CB 0.558 63.725 63.200 -0.054 0.000 0.861 194 S HN 0.923 nan 8.310 nan 0.000 0.485 195 A N 0.455 123.237 122.820 -0.063 0.000 2.594 195 A HA 0.578 4.904 4.320 0.011 0.000 0.301 195 A C -0.235 177.306 177.584 -0.071 0.000 1.022 195 A CA -0.734 51.264 52.037 -0.065 0.000 0.738 195 A CB -0.222 18.738 19.000 -0.068 0.000 1.263 195 A HN 0.341 nan 8.150 nan 0.000 0.409 196 T N 0.711 115.225 114.554 -0.068 0.000 2.481 196 T HA -0.114 4.242 4.350 0.011 0.000 0.509 196 T C 0.550 175.205 174.700 -0.075 0.000 0.816 196 T CA 1.081 63.138 62.100 -0.071 0.000 2.695 196 T CB -1.292 67.528 68.868 -0.081 0.000 1.693 196 T HN 1.698 nan 8.240 nan 0.000 0.491 197 V N 0.192 120.066 119.914 -0.068 0.000 3.177 197 V HA 0.670 4.797 4.120 0.011 0.000 0.342 197 V C 0.827 176.880 176.094 -0.068 0.000 1.379 197 V CA 0.419 62.678 62.300 -0.069 0.000 1.191 197 V CB -0.241 31.546 31.823 -0.060 0.000 1.167 197 V HN 1.208 nan 8.190 nan 0.000 0.471 198 A N -0.275 122.503 122.820 -0.070 0.000 2.597 198 A HA 0.487 4.814 4.320 0.011 0.000 0.292 198 A C -0.242 177.298 177.584 -0.073 0.000 1.057 198 A CA -0.593 51.402 52.037 -0.069 0.000 0.674 198 A CB 0.643 19.608 19.000 -0.058 0.000 1.278 198 A HN -0.005 nan 8.150 nan 0.000 0.416 199 N N 0.512 119.165 118.700 -0.078 0.000 2.581 199 N HA 0.262 5.009 4.740 0.011 0.000 0.230 199 N C 0.700 176.176 175.510 -0.057 0.000 1.310 199 N CA 1.056 54.057 53.050 -0.081 0.000 0.886 199 N CB 0.424 38.845 38.487 -0.110 0.000 1.205 199 N HN 0.872 nan 8.380 nan 0.000 0.488 200 A N -1.694 121.097 122.820 -0.048 0.000 2.726 200 A HA 0.102 4.429 4.320 0.011 0.000 0.192 200 A C 1.629 179.191 177.584 -0.036 0.000 1.412 200 A CA -0.150 51.868 52.037 -0.033 0.000 1.073 200 A CB 0.121 19.105 19.000 -0.027 0.000 1.331 200 A HN 0.074 nan 8.150 nan 0.000 0.537 201 V N -0.011 119.876 119.914 -0.045 0.000 2.270 201 V HA 0.000 4.127 4.120 0.011 0.000 0.245 201 V C 2.386 178.452 176.094 -0.046 0.000 1.043 201 V CA 2.658 64.931 62.300 -0.045 0.000 1.014 201 V CB -0.738 31.055 31.823 -0.050 0.000 0.645 201 V HN 0.557 nan 8.190 nan 0.000 0.447 202 G N -1.334 107.435 108.800 -0.052 0.000 2.907 202 G HA2 0.408 4.374 3.960 0.011 0.000 0.200 202 G HA3 0.408 4.374 3.960 0.011 0.000 0.200 202 G C 0.633 175.501 174.900 -0.054 0.000 1.101 202 G CA 0.620 45.688 45.100 -0.054 0.000 0.806 202 G HN 0.604 nan 8.290 nan 0.000 0.640 203 A N 0.951 123.735 122.820 -0.060 0.000 2.302 203 A HA 0.540 4.866 4.320 0.011 0.000 0.295 203 A C 0.535 178.097 177.584 -0.036 0.000 1.235 203 A CA -0.469 51.533 52.037 -0.058 0.000 0.876 203 A CB -0.007 18.945 19.000 -0.080 0.000 1.133 203 A HN 0.479 nan 8.150 nan 0.000 0.533 204 N N 0.984 119.672 118.700 -0.019 0.000 2.135 204 N HA 0.141 4.888 4.740 0.011 0.000 0.237 204 N C 0.103 175.667 175.510 0.090 0.000 1.267 204 N CA 0.321 53.381 53.050 0.016 0.000 0.953 204 N CB 0.030 38.518 38.487 0.002 0.000 1.094 204 N HN 0.875 nan 8.380 nan 0.000 0.414 205 H N -1.149 117.897 119.070 -0.040 0.000 3.057 205 H HA 0.067 4.629 4.556 0.011 0.000 0.308 205 H C -1.999 173.319 175.328 -0.017 0.000 1.276 205 H CA -0.425 55.606 56.048 -0.028 0.000 1.325 205 H CB 1.173 30.923 29.762 -0.020 0.000 1.963 205 H HN 0.317 nan 8.280 nan 0.000 0.524 206 S N 3.116 118.658 115.700 -0.262 0.000 2.532 206 S HA 0.702 5.179 4.470 0.011 0.000 0.318 206 S C -0.412 173.956 174.600 -0.386 0.000 1.083 206 S CA 0.088 58.116 58.200 -0.287 0.000 1.131 206 S CB 0.052 63.171 63.200 -0.134 0.000 0.973 206 S HN 0.713 nan 8.310 nan 0.000 0.468 207 A N 3.670 126.250 122.820 -0.399 0.000 2.248 207 A HA 0.978 5.304 4.320 0.011 0.000 0.316 207 A C -0.704 176.988 177.584 0.180 0.000 1.101 207 A CA -0.677 51.282 52.037 -0.130 0.000 0.875 207 A CB 0.532 19.402 19.000 -0.216 0.000 1.207 207 A HN 1.208 nan 8.150 nan 0.000 0.504 208 F N -1.287 118.619 119.950 -0.075 0.000 2.641 208 F HA 0.803 5.337 4.527 0.011 0.000 0.308 208 F C -0.508 175.279 175.800 -0.021 0.000 1.105 208 F CA -0.853 57.130 58.000 -0.029 0.000 0.964 208 F CB 1.041 40.038 39.000 -0.004 0.000 1.294 208 F HN 0.751 nan 8.300 nan 0.000 0.442 209 S N 2.771 118.426 115.700 -0.076 0.000 2.685 209 S HA 0.563 5.040 4.470 0.011 0.000 0.282 209 S C 0.230 174.763 174.600 -0.112 0.000 1.159 209 S CA -0.357 57.735 58.200 -0.179 0.000 0.833 209 S CB 1.241 64.368 63.200 -0.123 0.000 1.151 209 S HN 1.124 nan 8.310 nan 0.000 0.485 210 L N 3.142 124.286 121.223 -0.131 0.000 1.978 210 L HA -0.138 4.208 4.340 0.011 0.000 0.235 210 L C 2.619 179.418 176.870 -0.118 0.000 1.094 210 L CA 3.121 57.891 54.840 -0.117 0.000 0.814 210 L CB -1.264 40.742 42.059 -0.089 0.000 0.911 210 L HN 0.979 nan 8.230 nan 0.000 0.442 211 K N -0.982 119.371 120.400 -0.077 0.000 2.442 211 K HA -0.192 4.135 4.320 0.011 0.000 0.200 211 K C 1.747 178.326 176.600 -0.034 0.000 1.045 211 K CA 1.765 58.016 56.287 -0.060 0.000 0.937 211 K CB -0.416 32.065 32.500 -0.031 0.000 0.757 211 K HN 0.413 nan 8.250 nan 0.000 0.474 212 L N 1.409 122.631 121.223 -0.000 0.000 2.049 212 L HA 0.015 4.362 4.340 0.011 0.000 0.203 212 L C 2.832 179.669 176.870 -0.055 0.000 1.074 212 L CA 1.730 56.650 54.840 0.134 0.000 0.749 212 L CB -0.802 41.402 42.059 0.240 0.000 0.907 212 L HN 0.263 nan 8.230 nan 0.000 0.439 213 A N -0.033 122.670 122.820 -0.196 0.000 1.917 213 A HA -0.210 4.117 4.320 0.011 0.000 0.219 213 A C 2.262 179.336 177.584 -0.850 0.000 1.182 213 A CA 1.929 53.641 52.037 -0.542 0.000 0.633 213 A CB -1.102 17.540 19.000 -0.596 0.000 0.819 213 A HN 0.392 nan 8.150 nan 0.000 0.448 214 L N -0.966 119.926 121.223 -0.551 0.000 2.353 214 L HA -0.131 4.216 4.340 0.011 0.000 0.220 214 L C 2.277 179.023 176.870 -0.206 0.000 1.133 214 L CA 1.254 55.876 54.840 -0.363 0.000 0.798 214 L CB -0.269 41.688 42.059 -0.170 0.000 0.922 214 L HN 0.454 nan 8.230 nan 0.000 0.445 215 E N -0.775 119.306 120.200 -0.198 0.000 2.431 215 E HA 0.042 4.398 4.350 0.011 0.000 0.200 215 E C 2.152 178.574 176.600 -0.297 0.000 0.995 215 E CA 0.058 56.382 56.400 -0.126 0.000 0.915 215 E CB 0.350 30.092 29.700 0.070 0.000 0.930 215 E HN 0.460 nan 8.360 nan 0.000 0.496 216 L N -0.036 120.933 121.223 -0.424 0.000 2.102 216 L HA 0.009 4.356 4.340 0.011 0.000 0.202 216 L C 2.055 178.785 176.870 -0.232 0.000 1.076 216 L CA 0.875 55.452 54.840 -0.438 0.000 0.761 216 L CB -0.197 41.641 42.059 -0.369 0.000 0.921 216 L HN 0.189 nan 8.230 nan 0.000 0.444 217 F N -0.192 119.548 119.950 -0.350 0.000 2.333 217 F HA -0.228 4.305 4.527 0.011 0.000 0.300 217 F C 2.765 178.211 175.800 -0.591 0.000 1.083 217 F CA 0.349 58.045 58.000 -0.507 0.000 1.395 217 F CB -0.174 38.716 39.000 -0.184 0.000 1.056 217 F HN 0.128 nan 8.300 nan 0.000 0.529 218 R N 1.185 121.561 120.500 -0.207 0.000 2.057 218 R HA -0.096 4.251 4.340 0.011 0.000 0.229 218 R C 0.944 177.060 176.300 -0.307 0.000 1.136 218 R CA 0.551 56.526 56.100 -0.210 0.000 0.952 218 R CB -0.233 29.988 30.300 -0.132 0.000 0.848 218 R HN 0.172 nan 8.270 nan 0.000 0.430 219 Q N 1.137 120.742 119.800 -0.325 0.000 2.300 219 Q HA 0.026 4.373 4.340 0.011 0.000 0.280 219 Q C -1.739 174.025 176.000 -0.394 0.000 1.033 219 Q CA -1.093 54.513 55.803 -0.328 0.000 0.903 219 Q CB 1.452 29.980 28.738 -0.351 0.000 1.195 219 Q HN 0.184 nan 8.270 nan 0.000 0.386 220 P HA -0.135 nan 4.420 nan 0.000 0.218 220 P C 0.046 177.193 177.300 -0.255 0.000 1.152 220 P CA 1.166 64.052 63.100 -0.357 0.000 0.826 220 P CB 0.267 31.803 31.700 -0.273 0.000 0.790 221 K N -0.440 119.875 120.400 -0.142 0.000 2.228 221 K HA -0.167 4.160 4.320 0.011 0.000 0.205 221 K C 2.175 179.020 176.600 0.408 0.000 1.045 221 K CA 1.034 57.370 56.287 0.081 0.000 0.931 221 K CB -0.677 31.654 32.500 -0.282 0.000 0.727 221 K HN 0.123 nan 8.250 nan 0.000 0.458 222 L N -0.029 121.403 121.223 0.349 0.000 1.973 222 L HA -0.101 4.246 4.340 0.011 0.000 0.208 222 L C 1.963 179.141 176.870 0.514 0.000 1.073 222 L CA 1.591 56.731 54.840 0.501 0.000 0.746 222 L CB -0.636 41.603 42.059 0.299 0.000 0.891 222 L HN 0.277 nan 8.230 nan 0.000 0.433 223 W N -1.126 120.193 121.300 0.032 0.000 2.292 223 W HA -0.338 4.329 4.660 0.011 0.000 0.304 223 W C 2.237 178.788 176.519 0.055 0.000 1.228 223 W CA 0.345 57.658 57.345 -0.053 0.000 1.241 223 W CB -0.266 29.041 29.460 -0.255 0.000 1.142 223 W HN 0.248 nan 8.180 nan 0.000 0.520 224 F N -0.673 119.488 119.950 0.352 0.000 2.187 224 F HA -0.087 4.447 4.527 0.011 0.000 0.295 224 F C 2.270 178.169 175.800 0.166 0.000 1.091 224 F CA 1.042 59.166 58.000 0.207 0.000 1.308 224 F CB -1.498 37.622 39.000 0.200 0.000 1.030 224 F HN -0.166 nan 8.300 nan 0.000 0.487 225 L N -1.260 120.216 121.223 0.422 0.000 2.068 225 L HA -0.039 4.308 4.340 0.011 0.000 0.204 225 L C 2.426 179.439 176.870 0.238 0.000 1.076 225 L CA 1.587 56.587 54.840 0.266 0.000 0.753 225 L CB -0.918 41.301 42.059 0.266 0.000 0.910 225 L HN 0.023 nan 8.230 nan 0.000 0.439 226 S N -0.351 115.524 115.700 0.291 0.000 2.441 226 S HA -0.161 4.315 4.470 0.011 0.000 0.242 226 S C 1.845 176.478 174.600 0.055 0.000 1.018 226 S CA 1.469 59.819 58.200 0.250 0.000 0.988 226 S CB -0.404 63.055 63.200 0.431 0.000 0.778 226 S HN 0.456 nan 8.310 nan 0.000 0.498 227 L N -0.353 120.898 121.223 0.048 0.000 2.116 227 L HA 0.071 4.418 4.340 0.011 0.000 0.200 227 L C 2.077 178.853 176.870 -0.157 0.000 1.084 227 L CA 1.765 56.518 54.840 -0.145 0.000 0.766 227 L CB -1.675 40.322 42.059 -0.103 0.000 0.930 227 L HN 0.429 nan 8.230 nan 0.000 0.453 228 Y N 0.871 121.083 120.300 -0.146 0.000 2.133 228 Y HA -0.316 4.241 4.550 0.011 0.000 0.279 228 Y C 2.382 178.206 175.900 -0.127 0.000 1.209 228 Y CA 2.338 60.361 58.100 -0.129 0.000 1.152 228 Y CB -0.590 37.824 38.460 -0.078 0.000 0.961 228 Y HN -0.026 nan 8.280 nan 0.000 0.512 229 V N -0.325 119.692 119.914 0.172 0.000 2.379 229 V HA -0.231 3.895 4.120 0.011 0.000 0.245 229 V C 2.324 178.343 176.094 -0.125 0.000 1.044 229 V CA 1.901 64.204 62.300 0.005 0.000 1.036 229 V CB -0.595 31.135 31.823 -0.156 0.000 0.664 229 V HN 0.460 nan 8.190 nan 0.000 0.453 230 I N 0.355 120.840 120.570 -0.142 0.000 2.500 230 I HA -0.008 4.169 4.170 0.011 0.000 0.252 230 I C 2.194 178.213 176.117 -0.163 0.000 1.142 230 I CA 1.362 62.564 61.300 -0.164 0.000 1.451 230 I CB -0.235 37.629 38.000 -0.227 0.000 1.093 230 I HN 0.305 nan 8.210 nan 0.000 0.430 231 G N -0.526 108.110 108.800 -0.273 0.000 2.572 231 G HA2 -0.111 3.856 3.960 0.011 0.000 0.214 231 G HA3 -0.111 3.856 3.960 0.011 0.000 0.214 231 G C 1.242 176.192 174.900 0.084 0.000 1.246 231 G CA 0.624 45.603 45.100 -0.202 0.000 0.835 231 G HN 0.188 nan 8.290 nan 0.000 0.551 232 V N 1.199 121.057 119.914 -0.093 0.000 3.623 232 V HA 0.107 4.233 4.120 0.011 0.000 0.274 232 V C 2.016 178.015 176.094 -0.158 0.000 1.244 232 V CA 1.470 63.666 62.300 -0.172 0.000 1.182 232 V CB 0.067 31.590 31.823 -0.499 0.000 0.925 232 V HN 0.425 nan 8.190 nan 0.000 0.462 233 S N -0.574 115.075 115.700 -0.086 0.000 3.200 233 S HA -0.094 4.383 4.470 0.011 0.000 0.209 233 S C 2.094 176.707 174.600 0.021 0.000 0.869 233 S CA 0.838 59.033 58.200 -0.008 0.000 0.820 233 S CB -0.165 63.011 63.200 -0.041 0.000 0.834 233 S HN 0.630 nan 8.310 nan 0.000 0.622 234 C N 2.408 121.700 119.300 -0.015 0.000 2.353 234 C HA -0.160 4.307 4.460 0.011 0.000 0.272 234 C C 2.524 177.524 174.990 0.017 0.000 1.165 234 C CA 2.522 61.541 59.018 0.001 0.000 1.786 234 C CB -2.066 25.671 27.740 -0.006 0.000 2.071 234 C HN 0.696 nan 8.230 nan 0.000 0.451 235 T N -0.413 114.159 114.554 0.029 0.000 2.474 235 T HA -0.269 4.088 4.350 0.011 0.000 0.254 235 T C 1.407 176.128 174.700 0.035 0.000 1.191 235 T CA 2.185 64.305 62.100 0.034 0.000 1.231 235 T CB -1.044 67.850 68.868 0.044 0.000 0.865 235 T HN 0.737 nan 8.240 nan 0.000 0.398 236 Y N 2.417 122.667 120.300 -0.083 0.000 2.425 236 Y HA -0.181 4.376 4.550 0.011 0.000 0.285 236 Y C 1.437 177.322 175.900 -0.026 0.000 1.170 236 Y CA 1.165 59.199 58.100 -0.110 0.000 1.304 236 Y CB -0.566 37.793 38.460 -0.168 0.000 0.972 236 Y HN 0.270 nan 8.280 nan 0.000 0.558 237 D N -1.026 119.277 120.400 -0.161 0.000 2.328 237 D HA 0.030 4.676 4.640 0.011 0.000 0.221 237 D C 1.767 177.966 176.300 -0.168 0.000 1.072 237 D CA 0.390 54.256 54.000 -0.224 0.000 0.850 237 D CB 0.495 41.251 40.800 -0.073 0.000 0.922 237 D HN 0.341 nan 8.370 nan 0.000 0.516 238 V N 0.246 120.092 119.914 -0.113 0.000 2.490 238 V HA -0.086 4.041 4.120 0.011 0.000 0.238 238 V C 2.010 178.065 176.094 -0.065 0.000 1.056 238 V CA 0.335 62.599 62.300 -0.060 0.000 1.075 238 V CB -0.508 31.302 31.823 -0.022 0.000 0.746 238 V HN 0.078 nan 8.190 nan 0.000 0.479 239 F N 2.103 121.889 119.950 -0.274 0.000 2.141 239 F HA -0.310 4.223 4.527 0.011 0.000 0.300 239 F C 1.852 177.449 175.800 -0.339 0.000 1.079 239 F CA 2.539 60.312 58.000 -0.378 0.000 1.264 239 F CB -0.331 38.370 39.000 -0.498 0.000 1.011 239 F HN 0.270 nan 8.300 nan 0.000 0.487 240 D N -0.664 119.592 120.400 -0.240 0.000 2.289 240 D HA -0.131 4.516 4.640 0.011 0.000 0.207 240 D C 2.314 178.503 176.300 -0.184 0.000 0.966 240 D CA 0.959 54.792 54.000 -0.278 0.000 0.868 240 D CB -0.135 40.403 40.800 -0.437 0.000 0.943 240 D HN 0.619 nan 8.370 nan 0.000 0.514 241 Q N -0.185 119.488 119.800 -0.212 0.000 2.124 241 Q HA -0.161 4.186 4.340 0.011 0.000 0.202 241 Q C 1.248 177.232 176.000 -0.027 0.000 0.977 241 Q CA 1.005 56.620 55.803 -0.313 0.000 0.850 241 Q CB -0.201 28.010 28.738 -0.878 0.000 0.901 241 Q HN 0.362 nan 8.270 nan 0.000 0.429 242 Q N -0.454 119.357 119.800 0.019 0.000 2.217 242 Q HA 0.124 4.470 4.340 0.011 0.000 0.217 242 Q C 0.062 175.849 176.000 -0.356 0.000 0.844 242 Q CA -0.365 55.413 55.803 -0.042 0.000 0.957 242 Q CB 0.464 29.205 28.738 0.005 0.000 1.127 242 Q HN 0.280 nan 8.270 nan 0.000 0.503 243 F N 1.532 121.174 119.950 -0.513 0.000 2.660 243 F HA 0.118 4.651 4.527 0.011 0.000 0.342 243 F C 0.798 176.405 175.800 -0.322 0.000 1.222 243 F CA 0.159 57.799 58.000 -0.601 0.000 1.396 243 F CB -0.265 38.177 39.000 -0.931 0.000 1.466 243 F HN -0.011 nan 8.300 nan 0.000 0.588 244 A N -0.056 122.459 122.820 -0.507 0.000 1.937 244 A HA 0.122 4.449 4.320 0.011 0.000 0.198 244 A C 1.826 179.142 177.584 -0.447 0.000 1.635 244 A CA -0.049 51.605 52.037 -0.638 0.000 1.111 244 A CB -0.017 18.698 19.000 -0.474 0.000 1.165 244 A HN 0.326 nan 8.150 nan 0.000 0.460 245 N N -0.728 117.797 118.700 -0.293 0.000 2.494 245 N HA 0.015 4.762 4.740 0.011 0.000 0.182 245 N C 1.117 176.670 175.510 0.070 0.000 1.076 245 N CA 0.819 53.770 53.050 -0.165 0.000 0.908 245 N CB -0.179 38.230 38.487 -0.130 0.000 0.967 245 N HN 0.539 nan 8.380 nan 0.000 0.449 246 F N 0.405 120.201 119.950 -0.258 0.000 2.147 246 F HA 0.064 4.598 4.527 0.011 0.000 0.291 246 F C 2.103 177.871 175.800 -0.054 0.000 1.093 246 F CA 0.405 58.349 58.000 -0.094 0.000 1.263 246 F CB -0.530 38.136 39.000 -0.557 0.000 1.036 246 F HN -0.156 nan 8.300 nan 0.000 0.481 247 F N 1.765 121.548 119.950 -0.277 0.000 2.043 247 F HA -0.293 4.241 4.527 0.011 0.000 0.297 247 F C 2.779 178.497 175.800 -0.138 0.000 1.121 247 F CA 2.943 60.749 58.000 -0.323 0.000 1.199 247 F CB -1.035 37.578 39.000 -0.645 0.000 0.968 247 F HN 0.179 nan 8.300 nan 0.000 0.478 248 T N -1.230 113.277 114.554 -0.078 0.000 2.597 248 T HA -0.361 3.996 4.350 0.011 0.000 0.267 248 T C 2.288 176.981 174.700 -0.012 0.000 1.053 248 T CA 2.430 64.458 62.100 -0.120 0.000 1.165 248 T CB -1.612 67.171 68.868 -0.141 0.000 0.863 248 T HN 0.537 nan 8.240 nan 0.000 0.427 249 S N 2.611 118.303 115.700 -0.014 0.000 2.414 249 S HA -0.296 4.181 4.470 0.011 0.000 0.238 249 S C 1.683 176.283 174.600 -0.000 0.000 1.055 249 S CA 1.828 59.994 58.200 -0.057 0.000 1.174 249 S CB -1.685 61.402 63.200 -0.187 0.000 1.087 249 S HN 0.444 nan 8.310 nan 0.000 0.428 250 F N 1.634 121.514 119.950 -0.117 0.000 2.213 250 F HA -0.042 4.491 4.527 0.011 0.000 0.299 250 F C 0.951 176.674 175.800 -0.129 0.000 1.036 250 F CA 1.042 58.960 58.000 -0.137 0.000 1.335 250 F CB -0.807 38.064 39.000 -0.215 0.000 1.082 250 F HN 0.139 nan 8.300 nan 0.000 0.518 251 F N -1.647 118.264 119.950 -0.067 0.000 2.440 251 F HA 0.561 5.095 4.527 0.011 0.000 0.328 251 F C 1.259 177.016 175.800 -0.071 0.000 1.070 251 F CA -1.272 56.685 58.000 -0.072 0.000 1.011 251 F CB 0.054 39.002 39.000 -0.086 0.000 1.226 251 F HN -0.192 nan 8.300 nan 0.000 0.491 252 A N 1.225 124.117 122.820 0.120 0.000 1.891 252 A HA -0.208 4.119 4.320 0.011 0.000 0.221 252 A C 1.371 178.974 177.584 0.033 0.000 1.394 252 A CA 2.797 54.862 52.037 0.047 0.000 0.730 252 A CB -1.478 17.551 19.000 0.049 0.000 0.845 252 A HN 0.772 nan 8.150 nan 0.000 0.471 253 T N -3.317 111.263 114.554 0.042 0.000 3.030 253 T HA 0.541 4.898 4.350 0.011 0.000 0.274 253 T C 1.435 176.136 174.700 0.002 0.000 1.187 253 T CA 0.146 62.252 62.100 0.010 0.000 0.949 253 T CB 0.268 69.136 68.868 -0.001 0.000 2.268 253 T HN 0.558 nan 8.240 nan 0.000 0.554 254 G N -0.650 108.139 108.800 -0.017 0.000 2.747 254 G HA2 0.079 4.045 3.960 0.011 0.000 0.202 254 G HA3 0.079 4.045 3.960 0.011 0.000 0.202 254 G C 0.890 175.758 174.900 -0.053 0.000 1.090 254 G CA -0.074 45.008 45.100 -0.031 0.000 0.779 254 G HN 0.674 nan 8.290 nan 0.000 0.535 255 E N 0.002 120.174 120.200 -0.046 0.000 2.405 255 E HA 0.034 4.391 4.350 0.011 0.000 0.194 255 E C 1.554 178.106 176.600 -0.080 0.000 1.149 255 E CA 0.159 56.520 56.400 -0.065 0.000 0.933 255 E CB 0.163 29.836 29.700 -0.046 0.000 1.028 255 E HN 0.304 nan 8.360 nan 0.000 0.487 256 Q N -1.293 118.456 119.800 -0.086 0.000 2.558 256 Q HA 0.236 4.583 4.340 0.011 0.000 0.186 256 Q C 1.813 177.617 176.000 -0.326 0.000 0.894 256 Q CA 1.049 56.785 55.803 -0.111 0.000 0.830 256 Q CB -0.988 27.789 28.738 0.065 0.000 1.107 256 Q HN 0.281 nan 8.270 nan 0.000 0.620 257 G N 0.555 109.081 108.800 -0.457 0.000 2.703 257 G HA2 -0.364 3.603 3.960 0.011 0.000 0.222 257 G HA3 -0.364 3.603 3.960 0.011 0.000 0.222 257 G C 1.283 176.110 174.900 -0.122 0.000 1.183 257 G CA 2.186 47.033 45.100 -0.422 0.000 0.775 257 G HN 0.420 nan 8.290 nan 0.000 0.615 258 T N 0.263 114.713 114.554 -0.173 0.000 2.411 258 T HA -0.154 4.202 4.350 0.011 0.000 0.240 258 T C 2.173 176.738 174.700 -0.226 0.000 1.311 258 T CA 1.421 63.378 62.100 -0.238 0.000 1.306 258 T CB -0.413 68.310 68.868 -0.241 0.000 0.872 258 T HN 0.336 nan 8.240 nan 0.000 0.390 259 R N 0.079 120.420 120.500 -0.265 0.000 2.228 259 R HA -0.169 4.177 4.340 0.011 0.000 0.264 259 R C 2.163 178.010 176.300 -0.755 0.000 1.179 259 R CA 1.706 57.547 56.100 -0.432 0.000 0.998 259 R CB -0.538 29.552 30.300 -0.350 0.000 0.885 259 R HN 0.311 nan 8.270 nan 0.000 0.466 260 V N -0.568 119.126 119.914 -0.367 0.000 3.263 260 V HA -0.030 4.096 4.120 0.011 0.000 0.248 260 V C 1.451 177.627 176.094 0.137 0.000 1.145 260 V CA 0.622 62.847 62.300 -0.125 0.000 1.107 260 V CB -0.134 31.734 31.823 0.075 0.000 0.797 260 V HN 0.380 nan 8.190 nan 0.000 0.467 261 F N 2.246 122.175 119.950 -0.036 0.000 2.126 261 F HA 0.008 4.542 4.527 0.011 0.000 0.299 261 F C 1.989 177.753 175.800 -0.060 0.000 1.096 261 F CA 2.066 59.971 58.000 -0.158 0.000 1.255 261 F CB -0.916 37.939 39.000 -0.241 0.000 0.997 261 F HN 0.173 nan 8.300 nan 0.000 0.479 262 G N -1.036 107.786 108.800 0.037 0.000 2.408 262 G HA2 -0.278 3.689 3.960 0.011 0.000 0.217 262 G HA3 -0.278 3.689 3.960 0.011 0.000 0.217 262 G C 1.712 176.617 174.900 0.008 0.000 1.150 262 G CA 0.732 45.827 45.100 -0.009 0.000 0.776 262 G HN 0.557 nan 8.290 nan 0.000 0.542 263 Y N -0.600 119.666 120.300 -0.056 0.000 2.384 263 Y HA -0.087 4.470 4.550 0.011 0.000 0.289 263 Y C 2.796 178.660 175.900 -0.060 0.000 1.152 263 Y CA 0.081 58.157 58.100 -0.040 0.000 1.258 263 Y CB 0.155 38.632 38.460 0.028 0.000 0.979 263 Y HN 0.176 nan 8.280 nan 0.000 0.549 264 V N -0.431 119.519 119.914 0.060 0.000 2.341 264 V HA -0.217 3.910 4.120 0.011 0.000 0.240 264 V C 2.434 178.471 176.094 -0.095 0.000 1.035 264 V CA 2.070 64.370 62.300 0.001 0.000 1.033 264 V CB -0.459 31.380 31.823 0.026 0.000 0.678 264 V HN 0.610 nan 8.190 nan 0.000 0.464 265 T N -1.914 112.492 114.554 -0.247 0.000 2.592 265 T HA -0.335 4.022 4.350 0.011 0.000 0.267 265 T C 1.791 176.408 174.700 -0.137 0.000 1.060 265 T CA 2.722 64.682 62.100 -0.234 0.000 1.167 265 T CB -1.434 67.144 68.868 -0.483 0.000 0.863 265 T HN 0.484 nan 8.240 nan 0.000 0.431 266 T N 1.676 116.111 114.554 -0.198 0.000 2.624 266 T HA -0.118 4.239 4.350 0.011 0.000 0.268 266 T C 1.720 176.377 174.700 -0.071 0.000 1.041 266 T CA 1.940 63.951 62.100 -0.149 0.000 1.159 266 T CB -0.521 68.256 68.868 -0.151 0.000 0.863 266 T HN 0.326 nan 8.240 nan 0.000 0.434 267 M N 1.267 120.834 119.600 -0.054 0.000 2.682 267 M HA 0.250 4.737 4.480 0.011 0.000 0.235 267 M C 1.374 177.670 176.300 -0.007 0.000 1.114 267 M CA 0.086 55.367 55.300 -0.031 0.000 1.053 267 M CB -0.002 32.584 32.600 -0.023 0.000 1.599 267 M HN 0.185 nan 8.290 nan 0.000 0.520 268 G N -1.148 107.650 108.800 -0.003 0.000 3.899 268 G HA2 0.146 4.113 3.960 0.011 0.000 0.293 268 G HA3 0.146 4.113 3.960 0.011 0.000 0.293 268 G C 0.815 175.738 174.900 0.039 0.000 1.054 268 G CA -0.116 44.997 45.100 0.022 0.000 0.846 268 G HN 0.387 nan 8.290 nan 0.000 0.525 269 E N 0.389 120.607 120.200 0.031 0.000 2.134 269 E HA 0.154 4.510 4.350 0.011 0.000 0.194 269 E C 2.472 179.073 176.600 0.001 0.000 0.937 269 E CA 0.126 56.544 56.400 0.031 0.000 0.874 269 E CB -0.227 29.501 29.700 0.047 0.000 0.853 269 E HN 0.242 nan 8.360 nan 0.000 0.471 270 L N 0.999 122.220 121.223 -0.003 0.000 2.021 270 L HA -0.208 4.138 4.340 0.011 0.000 0.215 270 L C 2.704 179.581 176.870 0.011 0.000 1.074 270 L CA 1.501 56.335 54.840 -0.009 0.000 0.760 270 L CB -0.837 41.220 42.059 -0.004 0.000 0.889 270 L HN 0.218 nan 8.230 nan 0.000 0.433 271 L N 0.220 121.468 121.223 0.040 0.000 2.129 271 L HA -0.264 4.083 4.340 0.011 0.000 0.212 271 L C 2.307 179.246 176.870 0.115 0.000 1.087 271 L CA 1.716 56.612 54.840 0.094 0.000 0.757 271 L CB -0.209 41.919 42.059 0.116 0.000 0.896 271 L HN 0.403 nan 8.230 nan 0.000 0.434 272 N N -0.478 118.263 118.700 0.069 0.000 2.220 272 N HA -0.068 4.679 4.740 0.011 0.000 0.182 272 N C 1.765 177.277 175.510 0.004 0.000 1.023 272 N CA 1.345 54.425 53.050 0.050 0.000 0.856 272 N CB -0.076 38.412 38.487 0.001 0.000 0.997 272 N HN 0.333 nan 8.380 nan 0.000 0.429 273 A N -0.024 122.768 122.820 -0.047 0.000 1.930 273 A HA -0.095 4.232 4.320 0.011 0.000 0.217 273 A C 2.190 179.721 177.584 -0.089 0.000 1.175 273 A CA 1.995 53.957 52.037 -0.125 0.000 0.627 273 A CB -1.029 17.860 19.000 -0.185 0.000 0.815 273 A HN 0.513 nan 8.150 nan 0.000 0.443 274 S N -0.795 114.886 115.700 -0.032 0.000 2.515 274 S HA 0.085 4.562 4.470 0.011 0.000 0.231 274 S C 1.739 176.350 174.600 0.019 0.000 0.987 274 S CA 0.828 59.025 58.200 -0.006 0.000 0.936 274 S CB -0.359 62.824 63.200 -0.028 0.000 0.766 274 S HN 0.454 nan 8.310 nan 0.000 0.528 275 I N 0.324 120.934 120.570 0.066 0.000 2.400 275 I HA 0.038 4.215 4.170 0.011 0.000 0.248 275 I C 2.487 178.724 176.117 0.200 0.000 1.109 275 I CA 1.052 62.429 61.300 0.128 0.000 1.425 275 I CB -0.170 37.904 38.000 0.124 0.000 1.094 275 I HN 0.388 nan 8.210 nan 0.000 0.425 276 M N -0.172 119.515 119.600 0.145 0.000 2.156 276 M HA -0.169 4.318 4.480 0.011 0.000 0.264 276 M C 1.745 178.241 176.300 0.325 0.000 1.067 276 M CA 1.631 57.024 55.300 0.155 0.000 1.131 276 M CB -0.108 32.547 32.600 0.093 0.000 1.368 276 M HN -0.003 nan 8.290 nan 0.000 0.416 277 F N -0.705 119.311 119.950 0.110 0.000 2.605 277 F HA -0.174 4.360 4.527 0.011 0.000 0.296 277 F C 1.602 177.537 175.800 0.225 0.000 1.146 277 F CA 0.937 59.016 58.000 0.131 0.000 1.478 277 F CB -0.609 38.458 39.000 0.112 0.000 1.107 277 F HN 0.174 nan 8.300 nan 0.000 0.600 278 F N -0.828 119.210 119.950 0.147 0.000 2.557 278 F HA 0.304 4.838 4.527 0.011 0.000 0.278 278 F C 2.281 178.078 175.800 -0.005 0.000 1.051 278 F CA 0.655 58.690 58.000 0.058 0.000 1.357 278 F CB -0.889 38.152 39.000 0.069 0.000 1.104 278 F HN -0.167 nan 8.300 nan 0.000 0.654 279 A N 0.985 123.849 122.820 0.074 0.000 2.054 279 A HA -0.183 4.144 4.320 0.011 0.000 0.223 279 A C -0.640 176.834 177.584 -0.183 0.000 1.169 279 A CA 1.785 53.727 52.037 -0.158 0.000 0.655 279 A CB -2.096 16.722 19.000 -0.304 0.000 0.812 279 A HN 0.276 nan 8.150 nan 0.000 0.462 280 P HA -0.267 nan 4.420 nan 0.000 0.212 280 P C 1.866 179.096 177.300 -0.117 0.000 0.886 280 P CA 1.753 64.801 63.100 -0.087 0.000 1.017 280 P CB -0.398 31.264 31.700 -0.063 0.000 0.686 281 L N -2.375 118.767 121.223 -0.135 0.000 2.051 281 L HA -0.205 4.142 4.340 0.011 0.000 0.214 281 L C 2.313 179.102 176.870 -0.135 0.000 1.076 281 L CA 2.021 56.782 54.840 -0.131 0.000 0.758 281 L CB -1.604 40.363 42.059 -0.154 0.000 0.890 281 L HN -0.061 nan 8.230 nan 0.000 0.433 282 I N 0.227 120.686 120.570 -0.185 0.000 2.229 282 I HA -0.334 3.842 4.170 0.011 0.000 0.250 282 I C 2.573 178.644 176.117 -0.077 0.000 1.096 282 I CA 1.454 62.672 61.300 -0.137 0.000 1.358 282 I CB -0.483 37.432 38.000 -0.142 0.000 1.047 282 I HN 0.378 nan 8.210 nan 0.000 0.422 283 I N 0.248 120.755 120.570 -0.106 0.000 2.339 283 I HA -0.153 4.024 4.170 0.011 0.000 0.245 283 I C 2.008 178.098 176.117 -0.045 0.000 1.096 283 I CA 1.299 62.557 61.300 -0.070 0.000 1.408 283 I CB -1.382 36.556 38.000 -0.103 0.000 1.092 283 I HN 0.276 nan 8.210 nan 0.000 0.423 284 N N 1.045 119.709 118.700 -0.059 0.000 2.609 284 N HA -0.087 4.660 4.740 0.011 0.000 0.190 284 N C 1.757 177.243 175.510 -0.040 0.000 1.157 284 N CA 0.568 53.587 53.050 -0.050 0.000 0.918 284 N CB 0.222 38.674 38.487 -0.059 0.000 0.978 284 N HN 0.442 nan 8.380 nan 0.000 0.448 285 R N -0.300 120.176 120.500 -0.040 0.000 2.142 285 R HA 0.290 4.636 4.340 0.011 0.000 0.204 285 R C 1.748 178.041 176.300 -0.012 0.000 1.059 285 R CA 0.112 56.194 56.100 -0.030 0.000 1.055 285 R CB 0.251 30.526 30.300 -0.040 0.000 0.976 285 R HN 0.105 nan 8.270 nan 0.000 0.483 286 I N 0.758 121.326 120.570 -0.004 0.000 3.444 286 I HA 0.024 4.201 4.170 0.011 0.000 0.287 286 I C 1.028 177.158 176.117 0.021 0.000 1.302 286 I CA 0.500 61.811 61.300 0.018 0.000 1.368 286 I CB -0.102 37.926 38.000 0.047 0.000 1.048 286 I HN 0.349 nan 8.210 nan 0.000 0.487 287 G N 0.495 109.303 108.800 0.013 0.000 2.508 287 G HA2 -0.150 3.816 3.960 0.011 0.000 0.220 287 G HA3 -0.150 3.816 3.960 0.011 0.000 0.220 287 G C 0.375 175.299 174.900 0.040 0.000 1.287 287 G CA -0.341 44.774 45.100 0.025 0.000 0.916 287 G HN 0.278 nan 8.290 nan 0.000 0.574 288 G N -0.792 108.054 108.800 0.077 0.000 2.798 288 G HA2 0.325 4.292 3.960 0.011 0.000 0.202 288 G HA3 0.325 4.292 3.960 0.011 0.000 0.202 288 G C 1.441 176.373 174.900 0.053 0.000 1.149 288 G CA 1.325 46.494 45.100 0.114 0.000 0.713 288 G HN 1.016 nan 8.290 nan 0.000 0.749 289 K N 0.918 121.353 120.400 0.059 0.000 2.113 289 K HA -0.135 4.192 4.320 0.011 0.000 0.208 289 K C 1.849 178.394 176.600 -0.092 0.000 1.047 289 K CA 1.754 57.967 56.287 -0.122 0.000 0.928 289 K CB -0.233 32.251 32.500 -0.027 0.000 0.716 289 K HN 0.220 nan 8.250 nan 0.000 0.446 290 N N 0.624 119.313 118.700 -0.018 0.000 2.331 290 N HA -0.088 4.659 4.740 0.011 0.000 0.180 290 N C 1.665 177.192 175.510 0.029 0.000 1.019 290 N CA 1.077 54.125 53.050 -0.004 0.000 0.881 290 N CB -0.119 38.374 38.487 0.009 0.000 0.972 290 N HN 0.317 nan 8.380 nan 0.000 0.435 291 A N 0.874 123.724 122.820 0.051 0.000 2.121 291 A HA 0.037 4.364 4.320 0.011 0.000 0.218 291 A C 2.187 179.851 177.584 0.132 0.000 1.154 291 A CA 0.689 52.807 52.037 0.135 0.000 0.679 291 A CB -0.288 18.774 19.000 0.103 0.000 0.795 291 A HN 0.165 nan 8.150 nan 0.000 0.458 292 L N -1.385 119.846 121.223 0.013 0.000 2.286 292 L HA 0.102 4.448 4.340 0.011 0.000 0.203 292 L C 2.304 179.254 176.870 0.134 0.000 1.068 292 L CA 0.184 55.026 54.840 0.003 0.000 0.811 292 L CB -0.486 41.315 42.059 -0.430 0.000 0.989 292 L HN 0.246 nan 8.230 nan 0.000 0.467 293 L N 0.129 121.383 121.223 0.051 0.000 2.042 293 L HA -0.248 4.098 4.340 0.011 0.000 0.210 293 L C 2.653 179.537 176.870 0.023 0.000 1.076 293 L CA 1.296 56.176 54.840 0.066 0.000 0.749 293 L CB -0.419 41.636 42.059 -0.007 0.000 0.893 293 L HN 0.301 nan 8.230 nan 0.000 0.432 294 L N 0.303 121.529 121.223 0.005 0.000 1.994 294 L HA -0.144 4.202 4.340 0.011 0.000 0.208 294 L C 2.708 179.520 176.870 -0.097 0.000 1.071 294 L CA 2.052 56.854 54.840 -0.063 0.000 0.745 294 L CB -0.720 41.292 42.059 -0.080 0.000 0.892 294 L HN 0.133 nan 8.230 nan 0.000 0.431 295 A N -0.299 122.506 122.820 -0.025 0.000 1.958 295 A HA -0.201 4.126 4.320 0.011 0.000 0.221 295 A C 2.265 179.803 177.584 -0.077 0.000 1.178 295 A CA 2.012 54.038 52.037 -0.019 0.000 0.642 295 A CB -1.769 17.311 19.000 0.134 0.000 0.816 295 A HN 0.621 nan 8.150 nan 0.000 0.453 296 G N -0.509 108.279 108.800 -0.021 0.000 2.575 296 G HA2 -0.216 3.750 3.960 0.011 0.000 0.215 296 G HA3 -0.216 3.750 3.960 0.011 0.000 0.215 296 G C 1.811 176.613 174.900 -0.163 0.000 1.262 296 G CA 2.673 47.707 45.100 -0.109 0.000 0.807 296 G HN 0.834 nan 8.290 nan 0.000 0.567 297 T N 0.076 114.560 114.554 -0.118 0.000 2.714 297 T HA -0.200 4.156 4.350 0.011 0.000 0.268 297 T C 2.301 176.910 174.700 -0.151 0.000 1.036 297 T CA 1.542 63.570 62.100 -0.120 0.000 1.148 297 T CB -0.384 68.431 68.868 -0.088 0.000 0.856 297 T HN 0.239 nan 8.240 nan 0.000 0.462 298 I N 1.271 121.739 120.570 -0.171 0.000 2.072 298 I HA -0.189 3.987 4.170 0.011 0.000 0.235 298 I C 2.911 178.865 176.117 -0.271 0.000 1.058 298 I CA 2.212 63.404 61.300 -0.180 0.000 1.320 298 I CB -0.382 37.515 38.000 -0.173 0.000 1.047 298 I HN 0.297 nan 8.210 nan 0.000 0.397 299 M N -0.072 119.274 119.600 -0.423 0.000 2.192 299 M HA -0.219 4.268 4.480 0.011 0.000 0.259 299 M C 2.279 178.245 176.300 -0.557 0.000 1.071 299 M CA 1.665 56.519 55.300 -0.743 0.000 1.082 299 M CB -0.649 31.214 32.600 -1.229 0.000 1.373 299 M HN 0.169 nan 8.290 nan 0.000 0.408 300 S N 0.059 115.538 115.700 -0.369 0.000 2.387 300 S HA -0.058 4.418 4.470 0.011 0.000 0.226 300 S C 2.000 176.468 174.600 -0.220 0.000 1.026 300 S CA 0.849 58.888 58.200 -0.269 0.000 0.972 300 S CB -0.242 62.842 63.200 -0.193 0.000 0.814 300 S HN 0.284 nan 8.310 nan 0.000 0.477 301 V N 2.155 121.959 119.914 -0.183 0.000 2.237 301 V HA -0.201 3.926 4.120 0.011 0.000 0.245 301 V C 2.580 178.588 176.094 -0.144 0.000 1.046 301 V CA 2.009 64.242 62.300 -0.112 0.000 1.007 301 V CB -0.501 31.276 31.823 -0.077 0.000 0.638 301 V HN 0.392 nan 8.190 nan 0.000 0.445 302 R N -0.277 120.088 120.500 -0.224 0.000 2.133 302 R HA -0.217 4.130 4.340 0.011 0.000 0.245 302 R C 2.169 178.198 176.300 -0.450 0.000 1.137 302 R CA 2.553 58.477 56.100 -0.293 0.000 0.947 302 R CB -0.344 29.734 30.300 -0.369 0.000 0.865 302 R HN 0.462 nan 8.270 nan 0.000 0.437 303 I N 0.874 121.048 120.570 -0.659 0.000 2.099 303 I HA -0.308 3.868 4.170 0.011 0.000 0.239 303 I C 2.579 178.576 176.117 -0.200 0.000 1.066 303 I CA 1.491 62.383 61.300 -0.679 0.000 1.324 303 I CB -1.266 36.427 38.000 -0.512 0.000 1.037 303 I HN 0.301 nan 8.210 nan 0.000 0.401 304 I N 1.297 121.773 120.570 -0.157 0.000 2.053 304 I HA -0.289 3.888 4.170 0.011 0.000 0.236 304 I C 2.731 178.829 176.117 -0.032 0.000 1.038 304 I CA 2.083 63.331 61.300 -0.086 0.000 1.304 304 I CB -1.143 36.837 38.000 -0.034 0.000 1.023 304 I HN 0.298 nan 8.210 nan 0.000 0.395 305 G N -0.295 108.551 108.800 0.077 0.000 2.549 305 G HA2 -0.257 3.710 3.960 0.011 0.000 0.222 305 G HA3 -0.257 3.710 3.960 0.011 0.000 0.222 305 G C 1.649 176.702 174.900 0.255 0.000 1.100 305 G CA 1.228 46.464 45.100 0.225 0.000 0.739 305 G HN 0.409 nan 8.290 nan 0.000 0.577 306 S N 0.344 116.166 115.700 0.204 0.000 2.470 306 S HA -0.039 4.438 4.470 0.011 0.000 0.225 306 S C 2.543 177.392 174.600 0.415 0.000 1.006 306 S CA 1.032 59.446 58.200 0.357 0.000 0.934 306 S CB -0.002 63.448 63.200 0.418 0.000 0.778 306 S HN 0.640 nan 8.310 nan 0.000 0.517 307 S N 0.280 116.087 115.700 0.179 0.000 2.561 307 S HA 0.144 4.621 4.470 0.011 0.000 0.225 307 S C 0.932 175.505 174.600 -0.045 0.000 0.977 307 S CA 0.296 58.526 58.200 0.051 0.000 0.926 307 S CB -0.386 62.695 63.200 -0.198 0.000 0.769 307 S HN 0.394 nan 8.310 nan 0.000 0.533 308 F N 1.715 121.851 119.950 0.310 0.000 2.720 308 F HA 0.546 5.080 4.527 0.011 0.000 0.301 308 F C 1.431 177.410 175.800 0.298 0.000 1.103 308 F CA -1.396 56.754 58.000 0.250 0.000 1.291 308 F CB -0.699 38.407 39.000 0.177 0.000 1.086 308 F HN 0.174 nan 8.300 nan 0.000 0.592 309 A N 1.160 124.317 122.820 0.561 0.000 2.540 309 A HA 0.162 4.489 4.320 0.011 0.000 0.268 309 A C 1.376 179.331 177.584 0.620 0.000 1.061 309 A CA 1.246 53.585 52.037 0.502 0.000 0.821 309 A CB -0.683 18.619 19.000 0.503 0.000 0.970 309 A HN 0.449 nan 8.150 nan 0.000 0.524 310 T N -0.695 114.137 114.554 0.463 0.000 2.985 310 T HA 0.353 4.710 4.350 0.011 0.000 0.254 310 T C 0.668 175.581 174.700 0.355 0.000 1.021 310 T CA 0.552 62.860 62.100 0.347 0.000 0.957 310 T CB -0.002 68.976 68.868 0.184 0.000 1.047 310 T HN 1.033 nan 8.240 nan 0.000 0.511 311 S N -0.155 115.767 115.700 0.369 0.000 2.500 311 S HA 0.750 5.226 4.470 0.011 0.000 0.301 311 S C 1.350 176.010 174.600 0.100 0.000 1.092 311 S CA -0.167 58.157 58.200 0.207 0.000 1.030 311 S CB 1.500 64.740 63.200 0.068 0.000 1.031 311 S HN 0.377 nan 8.310 nan 0.000 0.483 312 A N 5.084 127.913 122.820 0.015 0.000 1.851 312 A HA -0.000 4.327 4.320 0.011 0.000 0.216 312 A C 2.234 179.578 177.584 -0.400 0.000 1.195 312 A CA 1.625 53.385 52.037 -0.461 0.000 0.622 312 A CB -1.212 17.078 19.000 -1.182 0.000 0.831 312 A HN 1.105 nan 8.150 nan 0.000 0.444 313 L N 0.173 121.227 121.223 -0.282 0.000 2.030 313 L HA -0.323 4.024 4.340 0.011 0.000 0.222 313 L C 2.005 178.883 176.870 0.014 0.000 1.082 313 L CA 3.107 57.899 54.840 -0.080 0.000 0.785 313 L CB -1.578 40.453 42.059 -0.047 0.000 0.895 313 L HN 0.634 nan 8.230 nan 0.000 0.439 314 E N -0.201 119.998 120.200 -0.002 0.000 2.055 314 E HA -0.273 4.084 4.350 0.011 0.000 0.209 314 E C 2.153 178.830 176.600 0.129 0.000 1.036 314 E CA 2.668 59.105 56.400 0.062 0.000 0.849 314 E CB -0.390 29.351 29.700 0.069 0.000 0.767 314 E HN 0.675 nan 8.360 nan 0.000 0.461 315 V N -1.088 118.859 119.914 0.055 0.000 2.944 315 V HA -0.175 3.952 4.120 0.011 0.000 0.265 315 V C 1.978 178.431 176.094 0.599 0.000 1.125 315 V CA 1.348 63.830 62.300 0.303 0.000 1.145 315 V CB -0.501 31.311 31.823 -0.019 0.000 0.725 315 V HN 0.081 nan 8.190 nan 0.000 0.510 316 V N -0.241 119.934 119.914 0.435 0.000 2.788 316 V HA 0.033 4.160 4.120 0.011 0.000 0.251 316 V C 2.156 178.458 176.094 0.347 0.000 1.068 316 V CA 1.884 64.513 62.300 0.548 0.000 1.090 316 V CB 0.074 32.147 31.823 0.418 0.000 0.710 316 V HN 0.520 nan 8.190 nan 0.000 0.467 317 I N -0.888 119.826 120.570 0.240 0.000 2.867 317 I HA -0.012 4.165 4.170 0.011 0.000 0.265 317 I C 1.928 178.131 176.117 0.145 0.000 1.162 317 I CA 1.058 62.439 61.300 0.136 0.000 1.471 317 I CB -0.248 37.801 38.000 0.083 0.000 1.123 317 I HN 0.125 nan 8.210 nan 0.000 0.440 318 L N 0.399 121.761 121.223 0.232 0.000 2.450 318 L HA -0.163 4.184 4.340 0.011 0.000 0.224 318 L C 2.411 179.421 176.870 0.233 0.000 1.149 318 L CA 1.047 56.020 54.840 0.223 0.000 0.816 318 L CB -0.535 41.731 42.059 0.345 0.000 0.932 318 L HN 0.261 nan 8.230 nan 0.000 0.449 319 K N -0.155 120.441 120.400 0.327 0.000 2.108 319 K HA -0.019 4.308 4.320 0.011 0.000 0.204 319 K C 2.002 178.715 176.600 0.188 0.000 1.036 319 K CA 1.257 57.740 56.287 0.328 0.000 0.965 319 K CB -0.088 32.641 32.500 0.381 0.000 0.804 319 K HN 0.102 nan 8.250 nan 0.000 0.454 320 T N 3.427 118.041 114.554 0.100 0.000 2.755 320 T HA -0.205 4.152 4.350 0.011 0.000 0.266 320 T C 1.868 176.518 174.700 -0.082 0.000 1.041 320 T CA 1.301 63.381 62.100 -0.034 0.000 1.147 320 T CB -0.295 68.481 68.868 -0.154 0.000 0.847 320 T HN 0.157 nan 8.240 nan 0.000 0.478 321 L N 0.036 121.239 121.223 -0.033 0.000 1.990 321 L HA -0.227 4.120 4.340 0.011 0.000 0.213 321 L C 2.476 179.450 176.870 0.173 0.000 1.072 321 L CA 2.119 56.977 54.840 0.030 0.000 0.755 321 L CB -0.868 41.205 42.059 0.024 0.000 0.889 321 L HN 0.366 nan 8.230 nan 0.000 0.432 322 H N 0.490 119.622 119.070 0.102 0.000 2.385 322 H HA -0.310 4.253 4.556 0.011 0.000 0.291 322 H C 1.956 177.387 175.328 0.171 0.000 1.073 322 H CA 2.401 58.548 56.048 0.165 0.000 1.142 322 H CB -0.441 29.433 29.762 0.186 0.000 1.377 322 H HN 0.054 nan 8.280 nan 0.000 0.567 323 M N -0.456 119.031 119.600 -0.189 0.000 2.763 323 M HA -0.016 4.471 4.480 0.011 0.000 0.244 323 M C 0.910 177.268 176.300 0.095 0.000 1.065 323 M CA 0.527 55.705 55.300 -0.203 0.000 1.070 323 M CB -0.406 32.142 32.600 -0.087 0.000 1.494 323 M HN 0.295 nan 8.290 nan 0.000 0.546 324 F N -0.406 119.512 119.950 -0.052 0.000 2.754 324 F HA 0.080 4.614 4.527 0.011 0.000 0.297 324 F C 2.135 177.924 175.800 -0.019 0.000 1.122 324 F CA 0.715 58.708 58.000 -0.012 0.000 1.400 324 F CB 0.266 39.249 39.000 -0.028 0.000 1.117 324 F HN 0.293 nan 8.300 nan 0.000 0.587 325 E N -0.209 120.053 120.200 0.103 0.000 2.474 325 E HA 0.004 4.360 4.350 0.011 0.000 0.215 325 E C 1.770 178.465 176.600 0.159 0.000 0.867 325 E CA 1.119 57.552 56.400 0.054 0.000 1.135 325 E CB -0.750 28.917 29.700 -0.055 0.000 1.147 325 E HN 0.161 nan 8.360 nan 0.000 0.534 326 V N 0.800 120.757 119.914 0.073 0.000 2.453 326 V HA -0.135 3.992 4.120 0.011 0.000 0.252 326 V C -0.291 175.865 176.094 0.103 0.000 1.068 326 V CA 1.831 64.168 62.300 0.062 0.000 1.070 326 V CB -2.432 29.348 31.823 -0.071 0.000 0.664 326 V HN 0.193 nan 8.190 nan 0.000 0.461 327 P HA -0.116 nan 4.420 nan 0.000 0.214 327 P C 1.713 179.030 177.300 0.030 0.000 1.162 327 P CA 1.629 64.767 63.100 0.063 0.000 0.879 327 P CB -0.230 31.493 31.700 0.038 0.000 0.786 328 F N -0.429 119.523 119.950 0.005 0.000 2.216 328 F HA -0.084 4.449 4.527 0.011 0.000 0.300 328 F C 2.477 178.301 175.800 0.040 0.000 1.085 328 F CA 0.761 58.770 58.000 0.013 0.000 1.326 328 F CB -1.749 37.241 39.000 -0.017 0.000 1.027 328 F HN -0.163 nan 8.300 nan 0.000 0.497 329 L N -0.205 121.167 121.223 0.248 0.000 2.093 329 L HA -0.087 4.260 4.340 0.011 0.000 0.208 329 L C 2.083 179.056 176.870 0.172 0.000 1.085 329 L CA 1.416 56.376 54.840 0.199 0.000 0.755 329 L CB -0.700 41.472 42.059 0.188 0.000 0.904 329 L HN 0.241 nan 8.230 nan 0.000 0.435 330 L N -1.937 119.369 121.223 0.139 0.000 2.034 330 L HA -0.073 4.274 4.340 0.011 0.000 0.203 330 L C 2.236 179.182 176.870 0.127 0.000 1.074 330 L CA 1.197 56.109 54.840 0.119 0.000 0.748 330 L CB -0.294 41.811 42.059 0.077 0.000 0.905 330 L HN 0.007 nan 8.230 nan 0.000 0.439 331 V N 0.654 120.615 119.914 0.078 0.000 2.490 331 V HA -0.185 3.942 4.120 0.011 0.000 0.250 331 V C 2.596 178.760 176.094 0.115 0.000 1.061 331 V CA 1.747 64.099 62.300 0.088 0.000 1.064 331 V CB -1.160 30.629 31.823 -0.056 0.000 0.670 331 V HN 0.697 nan 8.190 nan 0.000 0.461 332 G N -1.737 107.115 108.800 0.086 0.000 2.414 332 G HA2 -0.274 3.692 3.960 0.011 0.000 0.215 332 G HA3 -0.274 3.692 3.960 0.011 0.000 0.215 332 G C 1.831 176.811 174.900 0.134 0.000 1.188 332 G CA 1.042 46.195 45.100 0.089 0.000 0.783 332 G HN 0.478 nan 8.290 nan 0.000 0.537 333 C N -0.192 119.197 119.300 0.148 0.000 2.392 333 C HA -0.122 4.345 4.460 0.011 0.000 0.276 333 C C 2.345 177.504 174.990 0.280 0.000 1.212 333 C CA 1.109 60.232 59.018 0.175 0.000 1.791 333 C CB -1.021 26.826 27.740 0.179 0.000 2.063 333 C HN 0.431 nan 8.230 nan 0.000 0.481 334 F N 1.809 121.830 119.950 0.119 0.000 2.044 334 F HA 0.097 4.631 4.527 0.011 0.000 0.287 334 F C 2.154 178.031 175.800 0.129 0.000 1.155 334 F CA 1.494 59.578 58.000 0.141 0.000 1.152 334 F CB -0.943 38.120 39.000 0.104 0.000 1.013 334 F HN -0.093 nan 8.300 nan 0.000 0.478 335 K N 0.027 120.254 120.400 -0.287 0.000 2.521 335 K HA -0.266 4.061 4.320 0.011 0.000 0.198 335 K C 1.635 178.147 176.600 -0.146 0.000 1.046 335 K CA 1.483 57.535 56.287 -0.393 0.000 0.931 335 K CB -1.265 31.130 32.500 -0.176 0.000 0.764 335 K HN 0.602 nan 8.250 nan 0.000 0.487 336 Y N 1.078 121.313 120.300 -0.109 0.000 2.284 336 Y HA -0.069 4.487 4.550 0.011 0.000 0.293 336 Y C 2.027 177.946 175.900 0.030 0.000 1.140 336 Y CA 0.540 58.622 58.100 -0.030 0.000 1.153 336 Y CB -0.279 38.173 38.460 -0.013 0.000 1.114 336 Y HN -0.083 nan 8.280 nan 0.000 0.521 337 I N -0.228 120.337 120.570 -0.009 0.000 2.113 337 I HA -0.257 3.920 4.170 0.011 0.000 0.242 337 I C 2.311 178.393 176.117 -0.059 0.000 1.064 337 I CA 2.427 63.674 61.300 -0.088 0.000 1.320 337 I CB -1.984 36.082 38.000 0.110 0.000 1.028 337 I HN 0.323 nan 8.210 nan 0.000 0.406 338 T N -0.993 113.530 114.554 -0.051 0.000 3.227 338 T HA 0.072 4.429 4.350 0.011 0.000 0.257 338 T C 1.416 176.044 174.700 -0.119 0.000 1.162 338 T CA 1.184 63.243 62.100 -0.067 0.000 1.051 338 T CB -0.555 68.180 68.868 -0.222 0.000 0.953 338 T HN 0.495 nan 8.240 nan 0.000 0.535 339 S N -0.452 115.152 115.700 -0.159 0.000 2.604 339 S HA 0.259 4.736 4.470 0.011 0.000 0.235 339 S C 1.445 175.964 174.600 -0.135 0.000 1.043 339 S CA -0.335 57.773 58.200 -0.153 0.000 0.997 339 S CB 0.366 63.462 63.200 -0.173 0.000 0.956 339 S HN 0.278 nan 8.310 nan 0.000 0.535 340 Q N -0.453 119.272 119.800 -0.125 0.000 2.280 340 Q HA 0.475 4.822 4.340 0.011 0.000 0.244 340 Q C -0.828 175.207 176.000 0.058 0.000 0.847 340 Q CA 0.416 56.175 55.803 -0.074 0.000 0.945 340 Q CB 0.581 29.169 28.738 -0.251 0.000 1.115 340 Q HN 0.323 nan 8.270 nan 0.000 0.513 341 F N 0.277 120.196 119.950 -0.052 0.000 2.598 341 F HA 0.423 4.957 4.527 0.011 0.000 0.327 341 F C 0.376 176.249 175.800 0.122 0.000 1.057 341 F CA -1.531 56.536 58.000 0.111 0.000 0.957 341 F CB 0.993 40.102 39.000 0.182 0.000 1.278 341 F HN -0.267 nan 8.300 nan 0.000 0.484 342 E N 0.543 120.999 120.200 0.426 0.000 2.384 342 E HA 0.097 4.453 4.350 0.011 0.000 0.266 342 E C 0.774 177.393 176.600 0.033 0.000 1.012 342 E CA -0.121 56.312 56.400 0.055 0.000 0.901 342 E CB 1.275 30.726 29.700 -0.415 0.000 0.967 342 E HN 0.449 nan 8.360 nan 0.000 0.435 343 V N 4.865 124.756 119.914 -0.038 0.000 2.380 343 V HA -0.343 3.783 4.120 0.011 0.000 0.251 343 V C 2.290 178.348 176.094 -0.061 0.000 1.063 343 V CA 2.515 64.796 62.300 -0.032 0.000 1.055 343 V CB -0.770 31.022 31.823 -0.050 0.000 0.657 343 V HN 0.705 nan 8.190 nan 0.000 0.455 344 R N -0.400 120.003 120.500 -0.162 0.000 2.096 344 R HA -0.134 4.212 4.340 0.011 0.000 0.235 344 R C 2.161 178.441 176.300 -0.035 0.000 1.127 344 R CA 1.836 57.839 56.100 -0.163 0.000 0.968 344 R CB -0.786 29.350 30.300 -0.274 0.000 0.861 344 R HN 0.397 nan 8.270 nan 0.000 0.440 345 F N 1.924 121.896 119.950 0.037 0.000 2.259 345 F HA -0.046 4.488 4.527 0.011 0.000 0.298 345 F C 2.665 178.483 175.800 0.030 0.000 1.088 345 F CA 0.604 58.641 58.000 0.061 0.000 1.358 345 F CB -1.000 38.081 39.000 0.136 0.000 1.040 345 F HN 0.091 nan 8.300 nan 0.000 0.505 346 S N 0.755 116.575 115.700 0.200 0.000 2.320 346 S HA -0.430 4.047 4.470 0.011 0.000 0.320 346 S C 2.415 176.968 174.600 -0.079 0.000 1.090 346 S CA 2.549 60.775 58.200 0.043 0.000 1.631 346 S CB -1.091 62.074 63.200 -0.058 0.000 1.389 346 S HN 0.403 nan 8.310 nan 0.000 0.474 347 A N 0.107 122.806 122.820 -0.202 0.000 1.948 347 A HA -0.132 4.195 4.320 0.011 0.000 0.220 347 A C 2.377 179.796 177.584 -0.276 0.000 1.177 347 A CA 2.721 54.562 52.037 -0.326 0.000 0.636 347 A CB -1.665 17.134 19.000 -0.335 0.000 0.815 347 A HN 0.766 nan 8.150 nan 0.000 0.449 348 T N 0.632 115.106 114.554 -0.134 0.000 2.622 348 T HA -0.146 4.211 4.350 0.011 0.000 0.266 348 T C 1.785 176.522 174.700 0.062 0.000 1.047 348 T CA 1.467 63.545 62.100 -0.038 0.000 1.159 348 T CB -0.508 68.460 68.868 0.166 0.000 0.863 348 T HN 0.450 nan 8.240 nan 0.000 0.422 349 I N 0.167 120.827 120.570 0.148 0.000 2.290 349 I HA -0.222 3.955 4.170 0.011 0.000 0.253 349 I C 1.318 177.597 176.117 0.269 0.000 1.112 349 I CA 1.618 63.033 61.300 0.191 0.000 1.377 349 I CB -0.531 37.567 38.000 0.163 0.000 1.060 349 I HN 0.293 nan 8.210 nan 0.000 0.428 350 Y N -0.112 120.156 120.300 -0.053 0.000 2.547 350 Y HA 0.148 4.705 4.550 0.011 0.000 0.325 350 Y C 1.240 177.165 175.900 0.042 0.000 1.165 350 Y CA 0.197 58.256 58.100 -0.068 0.000 1.300 350 Y CB -0.124 38.197 38.460 -0.233 0.000 1.126 350 Y HN 0.112 nan 8.280 nan 0.000 0.513 351 L N -2.808 118.536 121.223 0.202 0.000 2.567 351 L HA 0.134 4.481 4.340 0.011 0.000 0.228 351 L C 1.758 178.725 176.870 0.162 0.000 1.046 351 L CA 0.327 55.274 54.840 0.178 0.000 1.013 351 L CB -0.394 41.713 42.059 0.080 0.000 1.944 351 L HN -0.102 nan 8.230 nan 0.000 0.510 352 V N -1.116 118.857 119.914 0.098 0.000 3.186 352 V HA -0.246 3.881 4.120 0.011 0.000 0.270 352 V C 1.638 177.695 176.094 -0.062 0.000 1.149 352 V CA 2.153 64.441 62.300 -0.020 0.000 1.160 352 V CB -0.108 31.811 31.823 0.159 0.000 0.758 352 V HN 0.675 nan 8.190 nan 0.000 0.516 353 C N -2.117 117.297 119.300 0.190 0.000 2.508 353 C HA 0.312 4.778 4.460 0.011 0.000 0.407 353 C C 1.842 176.960 174.990 0.213 0.000 1.494 353 C CA 0.222 59.410 59.018 0.284 0.000 2.531 353 C CB -0.552 27.400 27.740 0.353 0.000 2.480 353 C HN 0.517 nan 8.230 nan 0.000 0.614 354 F N 0.418 120.425 119.950 0.094 0.000 2.084 354 F HA 0.062 4.596 4.527 0.011 0.000 0.283 354 F C 2.486 178.367 175.800 0.135 0.000 1.141 354 F CA 1.244 59.303 58.000 0.099 0.000 1.146 354 F CB -1.470 37.556 39.000 0.044 0.000 1.035 354 F HN 0.200 nan 8.300 nan 0.000 0.485 355 C N -0.114 119.406 119.300 0.367 0.000 2.421 355 C HA -0.161 4.306 4.460 0.011 0.000 0.296 355 C C 2.306 177.472 174.990 0.293 0.000 1.470 355 C CA 0.829 60.017 59.018 0.283 0.000 1.779 355 C CB -1.981 25.910 27.740 0.253 0.000 1.715 355 C HN 0.506 nan 8.230 nan 0.000 0.564 356 F N -1.946 118.078 119.950 0.122 0.000 2.495 356 F HA 0.313 4.847 4.527 0.011 0.000 0.272 356 F C 1.497 177.409 175.800 0.186 0.000 0.919 356 F CA 0.379 58.430 58.000 0.086 0.000 1.178 356 F CB -0.515 38.464 39.000 -0.035 0.000 1.030 356 F HN 0.021 nan 8.300 nan 0.000 0.777 357 F N 1.883 121.890 119.950 0.095 0.000 2.016 357 F HA 0.007 4.541 4.527 0.011 0.000 0.290 357 F C 2.659 178.387 175.800 -0.120 0.000 1.166 357 F CA 1.721 59.690 58.000 -0.052 0.000 1.156 357 F CB -1.406 37.627 39.000 0.055 0.000 0.995 357 F HN -0.120 nan 8.300 nan 0.000 0.477 358 K N 0.176 120.643 120.400 0.110 0.000 2.097 358 K HA -0.334 3.992 4.320 0.011 0.000 0.214 358 K C 1.970 178.578 176.600 0.014 0.000 1.052 358 K CA 2.199 58.478 56.287 -0.012 0.000 0.932 358 K CB -0.385 32.046 32.500 -0.115 0.000 0.716 358 K HN 0.164 nan 8.250 nan 0.000 0.455 359 Q N 0.683 120.501 119.800 0.030 0.000 2.234 359 Q HA -0.109 4.238 4.340 0.011 0.000 0.206 359 Q C 1.917 177.921 176.000 0.006 0.000 0.980 359 Q CA 1.319 57.142 55.803 0.032 0.000 0.869 359 Q CB -0.129 28.632 28.738 0.039 0.000 0.912 359 Q HN 0.444 nan 8.270 nan 0.000 0.436 360 L N -0.838 120.362 121.223 -0.038 0.000 2.062 360 L HA 0.041 4.388 4.340 0.011 0.000 0.202 360 L C 1.959 178.900 176.870 0.118 0.000 1.079 360 L CA 1.602 56.438 54.840 -0.006 0.000 0.755 360 L CB -0.825 41.159 42.059 -0.125 0.000 0.913 360 L HN 0.150 nan 8.230 nan 0.000 0.445 361 A N -0.300 122.540 122.820 0.033 0.000 1.873 361 A HA -0.351 3.976 4.320 0.011 0.000 0.218 361 A C 2.411 180.064 177.584 0.114 0.000 1.193 361 A CA 2.656 54.715 52.037 0.037 0.000 0.629 361 A CB -0.938 18.034 19.000 -0.047 0.000 0.826 361 A HN 0.595 nan 8.150 nan 0.000 0.447 362 M N -0.663 118.983 119.600 0.076 0.000 2.195 362 M HA -0.163 4.324 4.480 0.011 0.000 0.260 362 M C 1.888 178.259 176.300 0.118 0.000 1.066 362 M CA 1.687 57.037 55.300 0.083 0.000 1.089 362 M CB -0.404 32.235 32.600 0.066 0.000 1.377 362 M HN 0.499 nan 8.290 nan 0.000 0.411 363 I N -0.824 119.821 120.570 0.126 0.000 2.163 363 I HA -0.322 3.854 4.170 0.011 0.000 0.243 363 I C 1.790 177.925 176.117 0.029 0.000 1.085 363 I CA 1.505 62.851 61.300 0.076 0.000 1.347 363 I CB -0.348 37.666 38.000 0.023 0.000 1.044 363 I HN 0.213 nan 8.210 nan 0.000 0.408 364 F N -0.137 119.829 119.950 0.027 0.000 2.149 364 F HA -0.096 4.438 4.527 0.011 0.000 0.294 364 F C 2.457 178.274 175.800 0.030 0.000 1.095 364 F CA 1.147 59.163 58.000 0.026 0.000 1.276 364 F CB -0.509 38.492 39.000 0.002 0.000 1.023 364 F HN -0.109 nan 8.300 nan 0.000 0.480 365 M N -0.411 119.322 119.600 0.222 0.000 2.530 365 M HA -0.196 4.291 4.480 0.011 0.000 0.261 365 M C 1.876 178.225 176.300 0.082 0.000 1.067 365 M CA 1.022 56.393 55.300 0.118 0.000 1.071 365 M CB -0.379 32.269 32.600 0.079 0.000 1.405 365 M HN 0.007 nan 8.290 nan 0.000 0.478 366 S N -1.088 114.679 115.700 0.111 0.000 2.425 366 S HA -0.025 4.451 4.470 0.011 0.000 0.225 366 S C 1.790 176.466 174.600 0.127 0.000 1.024 366 S CA 0.720 59.007 58.200 0.144 0.000 0.951 366 S CB 0.075 63.408 63.200 0.221 0.000 0.796 366 S HN 0.299 nan 8.310 nan 0.000 0.498 367 V N 1.647 121.616 119.914 0.092 0.000 2.500 367 V HA 0.089 4.215 4.120 0.011 0.000 0.243 367 V C 2.045 178.177 176.094 0.063 0.000 1.039 367 V CA 0.776 63.119 62.300 0.072 0.000 1.053 367 V CB -0.351 31.488 31.823 0.028 0.000 0.695 367 V HN 0.394 nan 8.190 nan 0.000 0.463 368 L N 0.252 121.518 121.223 0.072 0.000 1.990 368 L HA -0.236 4.111 4.340 0.011 0.000 0.213 368 L C 2.552 179.424 176.870 0.004 0.000 1.072 368 L CA 2.241 57.114 54.840 0.054 0.000 0.755 368 L CB -0.496 41.600 42.059 0.062 0.000 0.889 368 L HN 0.360 nan 8.230 nan 0.000 0.432 369 A N -0.163 122.630 122.820 -0.045 0.000 1.845 369 A HA -0.161 4.166 4.320 0.011 0.000 0.215 369 A C 2.330 179.811 177.584 -0.173 0.000 1.195 369 A CA 1.745 53.654 52.037 -0.213 0.000 0.616 369 A CB -1.686 17.123 19.000 -0.319 0.000 0.832 369 A HN 0.565 nan 8.150 nan 0.000 0.443 370 G N 0.072 108.881 108.800 0.015 0.000 2.759 370 G HA2 -0.445 3.522 3.960 0.011 0.000 0.224 370 G HA3 -0.445 3.522 3.960 0.011 0.000 0.224 370 G C 1.389 176.399 174.900 0.184 0.000 1.173 370 G CA 1.659 46.870 45.100 0.184 0.000 0.770 370 G HN 0.755 nan 8.290 nan 0.000 0.626 371 N N -0.132 118.630 118.700 0.103 0.000 2.047 371 N HA -0.078 4.669 4.740 0.011 0.000 0.193 371 N C 2.244 177.816 175.510 0.105 0.000 1.055 371 N CA 1.184 54.289 53.050 0.092 0.000 0.847 371 N CB -0.320 38.203 38.487 0.061 0.000 1.038 371 N HN 0.319 nan 8.380 nan 0.000 0.427 372 M N 0.417 120.055 119.600 0.064 0.000 2.146 372 M HA -0.327 4.160 4.480 0.011 0.000 0.251 372 M C 1.545 177.939 176.300 0.156 0.000 1.083 372 M CA 1.794 57.134 55.300 0.067 0.000 1.076 372 M CB -0.292 32.315 32.600 0.011 0.000 1.332 372 M HN 0.235 nan 8.290 nan 0.000 0.400 373 Y N 0.129 120.526 120.300 0.161 0.000 2.151 373 Y HA -0.238 4.319 4.550 0.011 0.000 0.284 373 Y C 2.019 177.942 175.900 0.039 0.000 1.166 373 Y CA 1.978 60.190 58.100 0.188 0.000 1.163 373 Y CB -0.585 38.047 38.460 0.286 0.000 0.974 373 Y HN 0.440 nan 8.280 nan 0.000 0.511 374 E N -0.753 119.578 120.200 0.217 0.000 2.311 374 E HA 0.085 4.442 4.350 0.011 0.000 0.198 374 E C 1.149 177.781 176.600 0.053 0.000 1.115 374 E CA 0.281 56.724 56.400 0.072 0.000 1.140 374 E CB -0.021 29.719 29.700 0.066 0.000 1.204 374 E HN 0.224 nan 8.360 nan 0.000 0.446 375 S N -0.464 115.277 115.700 0.070 0.000 2.769 375 S HA 0.122 4.598 4.470 0.011 0.000 0.258 375 S C 1.081 175.707 174.600 0.043 0.000 1.080 375 S CA -0.005 58.224 58.200 0.049 0.000 0.943 375 S CB 0.351 63.584 63.200 0.055 0.000 0.893 375 S HN 0.495 nan 8.310 nan 0.000 0.490 376 I N -2.109 118.499 120.570 0.063 0.000 4.620 376 I HA 0.579 4.756 4.170 0.011 0.000 0.347 376 I C 0.608 176.761 176.117 0.060 0.000 1.302 376 I CA -0.133 61.202 61.300 0.058 0.000 1.277 376 I CB 0.575 38.620 38.000 0.074 0.000 1.566 376 I HN 0.320 nan 8.210 nan 0.000 0.547 377 G N 1.539 110.372 108.800 0.055 0.000 2.758 377 G HA2 -0.247 3.720 3.960 0.011 0.000 0.686 377 G HA3 -0.247 3.720 3.960 0.011 0.000 0.686 377 G C -0.218 174.760 174.900 0.129 0.000 1.389 377 G CA -0.131 44.967 45.100 -0.004 0.000 0.845 377 G HN 0.031 nan 8.290 nan 0.000 0.572 378 F N 0.705 120.627 119.950 -0.047 0.000 2.015 378 F HA -0.202 4.331 4.527 0.011 0.000 0.297 378 F C 3.148 178.599 175.800 -0.582 0.000 1.141 378 F CA 2.534 60.314 58.000 -0.367 0.000 1.192 378 F CB -1.019 37.769 39.000 -0.353 0.000 0.957 378 F HN 0.596 nan 8.300 nan 0.000 0.491 379 Q N -0.015 119.772 119.800 -0.020 0.000 2.084 379 Q HA -0.262 4.085 4.340 0.011 0.000 0.215 379 Q C 2.531 178.619 176.000 0.147 0.000 1.020 379 Q CA 2.150 58.019 55.803 0.111 0.000 0.887 379 Q CB -1.573 27.288 28.738 0.205 0.000 0.975 379 Q HN 0.565 nan 8.270 nan 0.000 0.413 380 G N 0.426 109.305 108.800 0.133 0.000 2.421 380 G HA2 -0.130 3.837 3.960 0.011 0.000 0.216 380 G HA3 -0.130 3.837 3.960 0.011 0.000 0.216 380 G C 1.608 176.619 174.900 0.184 0.000 1.171 380 G CA 1.503 46.680 45.100 0.129 0.000 0.775 380 G HN 0.494 nan 8.290 nan 0.000 0.543 381 A N 0.176 123.154 122.820 0.263 0.000 1.917 381 A HA -0.085 4.242 4.320 0.011 0.000 0.219 381 A C 2.265 180.086 177.584 0.395 0.000 1.182 381 A CA 1.788 54.015 52.037 0.317 0.000 0.633 381 A CB -0.693 18.585 19.000 0.464 0.000 0.819 381 A HN 0.382 nan 8.150 nan 0.000 0.448 382 Y N -0.218 120.190 120.300 0.180 0.000 2.224 382 Y HA -0.103 4.454 4.550 0.011 0.000 0.289 382 Y C 2.169 178.090 175.900 0.034 0.000 1.146 382 Y CA 0.789 58.971 58.100 0.138 0.000 1.182 382 Y CB -0.920 37.626 38.460 0.143 0.000 0.983 382 Y HN 0.212 nan 8.280 nan 0.000 0.524 383 L N -1.360 119.967 121.223 0.174 0.000 2.265 383 L HA -0.169 4.178 4.340 0.011 0.000 0.215 383 L C 1.995 178.878 176.870 0.022 0.000 1.117 383 L CA 0.392 55.246 54.840 0.023 0.000 0.782 383 L CB -0.523 41.535 42.059 -0.001 0.000 0.914 383 L HN 0.045 nan 8.230 nan 0.000 0.441 384 V N -0.406 119.542 119.914 0.057 0.000 2.261 384 V HA -0.202 3.924 4.120 0.011 0.000 0.235 384 V C 2.230 178.315 176.094 -0.015 0.000 1.044 384 V CA 1.154 63.466 62.300 0.020 0.000 1.007 384 V CB -0.620 31.224 31.823 0.036 0.000 0.647 384 V HN 0.198 nan 8.190 nan 0.000 0.462 385 L N 1.017 122.238 121.223 -0.002 0.000 1.965 385 L HA -0.201 4.145 4.340 0.011 0.000 0.226 385 L C 2.783 179.607 176.870 -0.077 0.000 1.083 385 L CA 2.265 57.081 54.840 -0.040 0.000 0.790 385 L CB -1.752 40.293 42.059 -0.023 0.000 0.898 385 L HN 0.542 nan 8.230 nan 0.000 0.439 386 G N 0.318 109.070 108.800 -0.079 0.000 2.606 386 G HA2 -0.365 3.602 3.960 0.011 0.000 0.221 386 G HA3 -0.365 3.602 3.960 0.011 0.000 0.221 386 G C 1.558 176.383 174.900 -0.125 0.000 1.152 386 G CA 1.541 46.563 45.100 -0.131 0.000 0.765 386 G HN 0.271 nan 8.290 nan 0.000 0.595 387 L N 0.630 121.794 121.223 -0.098 0.000 2.017 387 L HA -0.007 4.339 4.340 0.011 0.000 0.208 387 L C 3.029 179.806 176.870 -0.156 0.000 1.073 387 L CA 1.510 56.289 54.840 -0.101 0.000 0.745 387 L CB -0.675 41.342 42.059 -0.070 0.000 0.894 387 L HN 0.118 nan 8.230 nan 0.000 0.432 388 V N 0.191 119.998 119.914 -0.179 0.000 2.233 388 V HA -0.357 3.770 4.120 0.011 0.000 0.247 388 V C 2.779 178.648 176.094 -0.375 0.000 1.050 388 V CA 1.850 63.970 62.300 -0.300 0.000 1.010 388 V CB -1.531 30.147 31.823 -0.242 0.000 0.637 388 V HN 0.634 nan 8.190 nan 0.000 0.444 389 A N -0.143 122.544 122.820 -0.222 0.000 1.852 389 A HA -0.294 4.033 4.320 0.011 0.000 0.217 389 A C 2.238 179.725 177.584 -0.162 0.000 1.215 389 A CA 2.491 54.435 52.037 -0.155 0.000 0.641 389 A CB -0.965 17.957 19.000 -0.131 0.000 0.838 389 A HN 0.508 nan 8.150 nan 0.000 0.450 390 L N -0.261 120.867 121.223 -0.157 0.000 2.450 390 L HA -0.115 4.232 4.340 0.011 0.000 0.225 390 L C 2.203 179.005 176.870 -0.114 0.000 1.145 390 L CA 1.433 56.197 54.840 -0.127 0.000 0.801 390 L CB -0.363 41.630 42.059 -0.109 0.000 0.924 390 L HN 0.439 nan 8.230 nan 0.000 0.447 391 G N -0.915 107.779 108.800 -0.178 0.000 2.394 391 G HA2 -0.244 3.722 3.960 0.011 0.000 0.214 391 G HA3 -0.244 3.722 3.960 0.011 0.000 0.214 391 G C 1.179 176.019 174.900 -0.099 0.000 1.176 391 G CA 0.482 45.469 45.100 -0.188 0.000 0.786 391 G HN 0.328 nan 8.290 nan 0.000 0.533 392 F N 1.876 121.780 119.950 -0.077 0.000 2.186 392 F HA 0.009 4.543 4.527 0.011 0.000 0.299 392 F C 3.021 178.770 175.800 -0.085 0.000 1.090 392 F CA 1.217 59.170 58.000 -0.079 0.000 1.307 392 F CB -1.054 37.874 39.000 -0.120 0.000 1.019 392 F HN 0.043 nan 8.300 nan 0.000 0.489 393 T N 1.209 115.805 114.554 0.071 0.000 2.635 393 T HA -0.260 4.097 4.350 0.011 0.000 0.267 393 T C 2.296 176.991 174.700 -0.007 0.000 1.040 393 T CA 1.592 63.690 62.100 -0.004 0.000 1.156 393 T CB -0.835 67.995 68.868 -0.063 0.000 0.863 393 T HN 0.270 nan 8.240 nan 0.000 0.430 394 L N 0.525 121.741 121.223 -0.013 0.000 1.990 394 L HA -0.159 4.188 4.340 0.011 0.000 0.213 394 L C 2.320 179.172 176.870 -0.031 0.000 1.072 394 L CA 1.659 56.479 54.840 -0.032 0.000 0.755 394 L CB -0.428 41.646 42.059 0.024 0.000 0.889 394 L HN 0.305 nan 8.230 nan 0.000 0.432 395 I N -0.789 119.844 120.570 0.106 0.000 2.052 395 I HA -0.385 3.791 4.170 0.011 0.000 0.235 395 I C 2.720 178.872 176.117 0.060 0.000 1.046 395 I CA 1.674 63.096 61.300 0.202 0.000 1.308 395 I CB -0.838 37.297 38.000 0.225 0.000 1.031 395 I HN 0.305 nan 8.210 nan 0.000 0.395 396 S N 0.424 116.150 115.700 0.044 0.000 2.443 396 S HA -0.221 4.256 4.470 0.011 0.000 0.246 396 S C 2.040 176.571 174.600 -0.115 0.000 1.058 396 S CA 1.619 59.829 58.200 0.016 0.000 1.028 396 S CB -0.502 62.798 63.200 0.167 0.000 0.821 396 S HN 0.269 nan 8.310 nan 0.000 0.484 397 V N 0.424 120.172 119.914 -0.276 0.000 2.324 397 V HA -0.221 3.906 4.120 0.011 0.000 0.250 397 V C 1.887 177.644 176.094 -0.561 0.000 1.060 397 V CA 2.415 64.410 62.300 -0.507 0.000 1.042 397 V CB -0.813 30.489 31.823 -0.869 0.000 0.650 397 V HN 0.655 nan 8.190 nan 0.000 0.450 398 F N -0.009 119.901 119.950 -0.067 0.000 2.446 398 F HA -0.013 4.520 4.527 0.011 0.000 0.292 398 F C 2.664 178.335 175.800 -0.214 0.000 1.096 398 F CA 1.013 58.950 58.000 -0.106 0.000 1.438 398 F CB -1.126 37.813 39.000 -0.102 0.000 1.107 398 F HN 0.217 nan 8.300 nan 0.000 0.546 399 T N -0.834 113.622 114.554 -0.164 0.000 2.867 399 T HA -0.063 4.294 4.350 0.011 0.000 0.268 399 T C 0.850 175.405 174.700 -0.242 0.000 1.057 399 T CA 0.625 62.399 62.100 -0.543 0.000 1.136 399 T CB -0.520 68.074 68.868 -0.457 0.000 0.874 399 T HN -0.119 nan 8.240 nan 0.000 0.466 400 L N 2.133 123.324 121.223 -0.053 0.000 2.453 400 L HA 0.439 4.785 4.340 0.011 0.000 0.261 400 L C 0.852 177.811 176.870 0.148 0.000 1.179 400 L CA -0.106 54.772 54.840 0.065 0.000 0.813 400 L CB 0.936 42.952 42.059 -0.072 0.000 1.110 400 L HN 0.249 nan 8.230 nan 0.000 0.466 401 S N 0.575 116.456 115.700 0.302 0.000 2.560 401 S HA 0.332 4.809 4.470 0.011 0.000 0.284 401 S C 0.481 175.200 174.600 0.198 0.000 1.327 401 S CA -0.302 58.066 58.200 0.280 0.000 1.055 401 S CB 0.143 63.545 63.200 0.336 0.000 0.868 401 S HN 0.826 nan 8.310 nan 0.000 0.506 402 G N 4.718 113.593 108.800 0.126 0.000 2.559 402 G HA2 0.263 4.229 3.960 0.011 0.000 0.235 402 G HA3 0.263 4.229 3.960 0.011 0.000 0.235 402 G C -1.729 173.219 174.900 0.081 0.000 1.266 402 G CA -1.030 44.122 45.100 0.086 0.000 0.847 402 G HN 0.637 nan 8.290 nan 0.000 0.583 403 P HA 0.129 nan 4.420 nan 0.000 0.226 403 P C 0.700 178.017 177.300 0.028 0.000 1.153 403 P CA 1.341 64.469 63.100 0.047 0.000 0.777 403 P CB 0.604 32.324 31.700 0.033 0.000 0.794 404 G N 0.115 108.930 108.800 0.025 0.000 3.743 404 G HA2 0.233 4.200 3.960 0.011 0.000 0.289 404 G HA3 0.233 4.200 3.960 0.011 0.000 0.289 404 G C -1.846 173.062 174.900 0.013 0.000 2.097 404 G CA -0.600 44.507 45.100 0.013 0.000 0.624 404 G HN -0.035 nan 8.290 nan 0.000 0.402 405 P HA 0.080 nan 4.420 nan 0.000 0.210 405 P C 1.107 178.409 177.300 0.003 0.000 1.141 405 P CA 0.575 63.681 63.100 0.010 0.000 0.757 405 P CB 0.610 32.312 31.700 0.003 0.000 0.567 406 L N -2.727 118.494 121.223 -0.004 0.000 2.840 406 L HA 0.239 4.586 4.340 0.011 0.000 0.249 406 L C 1.030 177.893 176.870 -0.011 0.000 1.119 406 L CA 0.179 55.015 54.840 -0.006 0.000 0.930 406 L CB 0.531 42.586 42.059 -0.006 0.000 1.295 406 L HN 0.128 nan 8.230 nan 0.000 0.534 407 S N -0.050 115.641 115.700 -0.016 0.000 2.386 407 S HA 0.316 4.793 4.470 0.011 0.000 0.152 407 S C -0.151 174.434 174.600 -0.024 0.000 1.511 407 S CA -0.347 57.841 58.200 -0.020 0.000 1.246 407 S CB 0.695 63.882 63.200 -0.023 0.000 1.338 407 S HN 0.122 nan 8.310 nan 0.000 0.409 408 L N 3.616 124.826 121.223 -0.022 0.000 2.642 408 L HA 0.600 4.947 4.340 0.011 0.000 0.233 408 L C 0.881 177.734 176.870 -0.027 0.000 1.077 408 L CA 1.046 55.870 54.840 -0.027 0.000 0.879 408 L CB 0.199 42.245 42.059 -0.022 0.000 1.151 408 L HN 0.652 nan 8.230 nan 0.000 0.495 409 L N -0.757 120.453 121.223 -0.022 0.000 2.741 409 L HA 0.263 4.610 4.340 0.011 0.000 0.237 409 L C 1.495 178.351 176.870 -0.022 0.000 1.178 409 L CA -0.003 54.824 54.840 -0.022 0.000 0.973 409 L CB -0.077 41.971 42.059 -0.018 0.000 1.255 409 L HN 0.162 nan 8.230 nan 0.000 0.498 410 R N -1.007 119.478 120.500 -0.025 0.000 2.851 410 R HA 0.134 4.481 4.340 0.011 0.000 0.177 410 R C 1.902 178.184 176.300 -0.029 0.000 0.888 410 R CA 0.185 56.270 56.100 -0.025 0.000 1.326 410 R CB 0.248 30.535 30.300 -0.022 0.000 1.668 410 R HN 0.160 nan 8.270 nan 0.000 0.575 411 R N 1.119 121.601 120.500 -0.031 0.000 2.189 411 R HA 0.036 4.382 4.340 0.011 0.000 0.203 411 R C -0.038 176.239 176.300 -0.038 0.000 1.012 411 R CA 0.683 56.763 56.100 -0.034 0.000 1.015 411 R CB 0.345 30.624 30.300 -0.034 0.000 0.938 411 R HN -0.106 nan 8.270 nan 0.000 0.472 412 Q N 0.297 120.073 119.800 -0.040 0.000 2.331 412 Q HA 0.319 4.666 4.340 0.011 0.000 0.267 412 Q C -0.738 175.236 176.000 -0.044 0.000 1.006 412 Q CA -0.543 55.231 55.803 -0.048 0.000 0.818 412 Q CB 2.234 30.936 28.738 -0.060 0.000 1.276 412 Q HN -0.054 nan 8.270 nan 0.000 0.450 413 V N 3.643 123.531 119.914 -0.044 0.000 3.289 413 V HA 0.020 4.147 4.120 0.011 0.000 0.262 413 V C 1.230 177.302 176.094 -0.037 0.000 1.707 413 V CA 0.429 62.705 62.300 -0.039 0.000 1.024 413 V CB 0.269 32.072 31.823 -0.033 0.000 0.871 413 V HN 0.846 nan 8.190 nan 0.000 0.397 414 N N 1.583 120.261 118.700 -0.037 0.000 2.268 414 N HA -0.287 4.459 4.740 0.011 0.000 0.201 414 N C 1.433 176.931 175.510 -0.019 0.000 0.971 414 N CA 2.645 55.679 53.050 -0.027 0.000 0.926 414 N CB 0.089 38.560 38.487 -0.027 0.000 1.031 414 N HN 0.697 nan 8.380 nan 0.000 0.505 415 E N -2.004 118.181 120.200 -0.025 0.000 2.431 415 E HA 0.102 4.459 4.350 0.011 0.000 0.200 415 E C 1.282 177.869 176.600 -0.023 0.000 0.995 415 E CA 0.056 56.446 56.400 -0.017 0.000 0.915 415 E CB 0.625 30.314 29.700 -0.019 0.000 0.930 415 E HN 0.146 nan 8.360 nan 0.000 0.496 416 V N 0.636 120.533 119.914 -0.028 0.000 2.685 416 V HA 0.245 4.372 4.120 0.011 0.000 0.244 416 V C 0.653 176.732 176.094 -0.026 0.000 1.054 416 V CA 1.051 63.334 62.300 -0.028 0.000 1.076 416 V CB 0.587 32.392 31.823 -0.030 0.000 0.725 416 V HN 0.260 nan 8.190 nan 0.000 0.467 417 A N 0.000 122.804 122.820 -0.026 0.000 2.254 417 A HA 0.000 4.327 4.320 0.011 0.000 0.244 417 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 417 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 417 A HN 0.000 nan 8.150 nan 0.000 0.486