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 1mmo_1_D DATA FIRST_RESID 15 DATA SEQUENCE AANRAPTSVN AQEVHRWLQS FNWDFKNNRT KYATKYKMAN ETKEQFKLIA DATA SEQUENCE KEYARMEAVK DERQFGSLQV ALTRLNAGVR VHPKWNETMK VVSNFLEVGE DATA SEQUENCE YNAIAATGML WDSAQAAEQK NGYLAQVLDE IRHTHQCAYV NYYFAKNGQD DATA SEQUENCE PAGHNDARRT RTIGPLWKGM KRVFSDGFIS GDAVECSLNL QLVGEACFTN DATA SEQUENCE PLIVAVTEWA AANGDEITPT VFLSIETDEL RHMANGYQTV VSIANDPASA DATA SEQUENCE KYLNTDLNNA FWTQQKYFTP VLGMLFEYGS KFKVEPWVKT WDRWVYEDWG DATA SEQUENCE GIWIGRLGKY GVESPRSLKD AKQDAYWAHH DLYLLAYALW PTGFFRLALP DATA SEQUENCE DQEEMEWFEA NYPGWYDHYG KIYEEWRARG CEDPSSGFIP LMWFIENNHP DATA SEQUENCE IYIDRVSQVP FCPSLAKGAS TLRVHEYNGE MHTFSDQWGE RMWLAEPERY DATA SEQUENCE ECQNIFEQYE GRELSEVIAE LHGLRSDGKT LIAQPHVRGD KLWTLDDIKR DATA SEQUENCE LNCVFKNPVK AF 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 15 A HA 0.000 nan 4.320 nan 0.000 0.244 15 A C 0.000 177.586 177.584 0.003 0.000 1.274 15 A CA 0.000 52.039 52.037 0.003 0.000 0.836 15 A CB 0.000 19.002 19.000 0.003 0.000 0.831 16 A N 1.552 124.374 122.820 0.003 0.000 2.318 16 A HA 0.316 nan 4.320 nan 0.000 0.324 16 A C -0.898 176.688 177.584 0.004 0.000 1.170 16 A CA -0.042 51.997 52.037 0.003 0.000 0.810 16 A CB 0.275 19.276 19.000 0.003 0.000 1.198 16 A HN 0.121 8.273 8.150 0.003 0.000 0.484 17 N N -0.504 118.198 118.700 0.004 0.000 5.071 17 N HA -0.205 nan 4.740 nan 0.000 0.359 17 N C -1.141 174.373 175.510 0.006 0.000 1.477 17 N CA 0.382 53.435 53.050 0.005 0.000 2.762 17 N CB 0.303 38.794 38.487 0.006 0.000 0.485 17 N HN 0.292 8.675 8.380 0.004 0.000 0.771 18 R N 0.579 121.083 120.500 0.007 0.000 2.694 18 R HA 0.263 nan 4.340 nan 0.000 0.268 18 R C -0.982 175.323 176.300 0.009 0.000 1.061 18 R CA 0.297 56.401 56.100 0.008 0.000 1.133 18 R CB 0.603 30.908 30.300 0.008 0.000 1.020 18 R HN 0.433 8.707 8.270 0.007 0.000 0.475 19 A N 4.194 127.019 122.820 0.009 0.000 2.395 19 A HA 0.146 nan 4.320 nan 0.000 0.286 19 A C -1.748 175.843 177.584 0.012 0.000 1.193 19 A CA -0.970 51.073 52.037 0.010 0.000 0.852 19 A CB -0.215 18.791 19.000 0.009 0.000 1.118 19 A HN 0.177 8.332 8.150 0.008 0.000 0.524 20 P HA 0.208 nan 4.420 nan 0.000 0.301 20 P C -1.438 175.873 177.300 0.019 0.000 1.361 20 P CA -0.580 62.530 63.100 0.017 0.000 0.994 20 P CB 2.045 33.757 31.700 0.020 0.000 1.234 21 T N 0.704 115.271 114.554 0.021 0.000 2.980 21 T HA 0.042 nan 4.350 nan 0.000 0.239 21 T C -0.237 174.481 174.700 0.030 0.000 1.011 21 T CA 0.028 62.142 62.100 0.024 0.000 1.171 21 T CB 0.235 69.119 68.868 0.025 0.000 0.873 21 T HN 0.262 8.514 8.240 0.020 0.000 0.431 22 S N 0.599 116.316 115.700 0.029 0.000 3.507 22 S HA -0.235 nan 4.470 nan 0.000 0.139 22 S C -1.606 173.020 174.600 0.043 0.000 0.333 22 S CA 0.591 58.811 58.200 0.033 0.000 1.411 22 S CB 0.067 63.284 63.200 0.028 0.000 0.973 22 S HN -0.153 8.172 8.310 0.024 0.000 0.248 23 V N 0.927 120.869 119.914 0.047 0.000 2.675 23 V HA 0.133 nan 4.120 nan 0.000 0.266 23 V C -1.030 175.099 176.094 0.058 0.000 0.974 23 V CA -0.992 61.345 62.300 0.061 0.000 0.890 23 V CB 1.080 32.943 31.823 0.065 0.000 1.055 23 V HN -0.238 7.964 8.190 0.041 0.014 0.477 24 N N 6.848 125.582 118.700 0.056 0.000 2.478 24 N HA 0.307 nan 4.740 nan 0.000 0.275 24 N C 0.766 176.314 175.510 0.063 0.000 1.221 24 N CA -1.785 51.295 53.050 0.050 0.000 0.979 24 N CB 1.431 39.939 38.487 0.036 0.000 1.202 24 N HN -0.183 8.475 8.380 0.060 -0.242 0.564 25 A N -1.899 120.956 122.820 0.058 0.000 1.940 25 A HA -0.277 nan 4.320 nan 0.000 0.219 25 A C 2.301 179.937 177.584 0.086 0.000 1.176 25 A CA 3.109 55.190 52.037 0.073 0.000 0.631 25 A CB -0.364 18.670 19.000 0.056 0.000 0.814 25 A HN 0.492 8.670 8.150 0.046 0.000 0.446 26 Q N -1.450 118.384 119.800 0.056 0.000 2.119 26 Q HA -0.364 nan 4.340 nan 0.000 0.201 26 Q C 2.809 178.854 176.000 0.075 0.000 0.972 26 Q CA 3.416 59.250 55.803 0.053 0.000 0.847 26 Q CB -0.293 28.452 28.738 0.012 0.000 0.903 26 Q HN -0.158 8.206 8.270 0.039 -0.071 0.433 27 E N -0.535 119.714 120.200 0.083 0.000 2.106 27 E HA -0.259 nan 4.350 nan 0.000 0.192 27 E C 2.209 178.917 176.600 0.180 0.000 0.984 27 E CA 2.842 59.311 56.400 0.115 0.000 0.806 27 E CB -0.093 29.675 29.700 0.114 0.000 0.750 27 E HN -0.476 8.148 8.360 0.075 -0.219 0.458 28 V N -1.730 118.286 119.914 0.171 0.000 2.407 28 V HA -0.219 nan 4.120 nan 0.000 0.245 28 V C 1.977 178.145 176.094 0.122 0.000 1.041 28 V CA 3.839 66.264 62.300 0.209 0.000 1.040 28 V CB -0.470 31.461 31.823 0.180 0.000 0.671 28 V HN -0.672 7.602 8.190 0.140 0.000 0.455 29 H N 0.775 119.837 119.070 -0.013 0.000 2.421 29 H HA -0.298 nan 4.556 nan 0.000 0.298 29 H C 2.446 177.657 175.328 -0.195 0.000 1.087 29 H CA 3.821 59.804 56.048 -0.108 0.000 1.330 29 H CB 0.121 29.834 29.762 -0.082 0.000 1.388 29 H HN 0.221 8.543 8.280 0.179 0.066 0.526 30 R N 0.088 120.479 120.500 -0.182 0.000 2.154 30 R HA -0.356 nan 4.340 nan 0.000 0.248 30 R C 1.507 177.341 176.300 -0.776 0.000 1.155 30 R CA 2.991 58.818 56.100 -0.456 0.000 0.979 30 R CB -0.278 29.743 30.300 -0.466 0.000 0.869 30 R HN -0.237 8.003 8.270 -0.031 0.011 0.452 31 W N -4.530 116.666 121.300 -0.173 0.000 3.278 31 W HA 0.131 nan 4.660 nan 0.000 0.308 31 W C 0.577 176.825 176.519 -0.452 0.000 1.253 31 W CA -0.287 56.962 57.345 -0.160 0.000 1.759 31 W CB 0.651 30.131 29.460 0.032 0.000 1.093 31 W HN -0.472 7.491 8.180 -0.152 0.126 0.648 32 L N 1.157 121.971 121.223 -0.682 0.000 2.079 32 L HA -0.535 nan 4.340 nan 0.000 0.210 32 L C 1.845 178.341 176.870 -0.625 0.000 1.081 32 L CA 3.475 57.641 54.840 -1.123 0.000 0.752 32 L CB -0.201 41.309 42.059 -0.915 0.000 0.896 32 L HN -0.158 7.506 8.230 -0.626 0.190 0.433 33 Q N -1.175 118.407 119.800 -0.364 0.000 2.197 33 Q HA -0.346 nan 4.340 nan 0.000 0.207 33 Q C 2.190 178.197 176.000 0.012 0.000 0.984 33 Q CA 2.808 58.520 55.803 -0.152 0.000 0.869 33 Q CB -0.582 28.071 28.738 -0.141 0.000 0.906 33 Q HN 0.489 8.500 8.270 -0.432 0.000 0.426 34 S N -0.169 115.591 115.700 0.099 0.000 2.607 34 S HA -0.112 nan 4.470 nan 0.000 0.224 34 S C 0.818 175.678 174.600 0.432 0.000 0.969 34 S CA 2.299 60.657 58.200 0.264 0.000 0.927 34 S CB -0.547 62.853 63.200 0.332 0.000 0.772 34 S HN -0.389 7.923 8.310 0.041 0.023 0.533 35 F N 1.011 121.056 119.950 0.158 0.000 2.365 35 F HA -0.079 nan 4.527 nan 0.000 0.300 35 F C 0.473 176.453 175.800 0.300 0.000 1.090 35 F CA 0.555 58.673 58.000 0.196 0.000 1.408 35 F CB -0.539 38.554 39.000 0.154 0.000 1.060 35 F HN -0.331 7.978 8.300 0.323 0.185 0.534 36 N N -1.209 117.744 118.700 0.420 0.000 2.508 36 N HA -0.018 nan 4.740 nan 0.000 0.285 36 N C -1.668 174.090 175.510 0.413 0.000 1.144 36 N CA -0.186 53.068 53.050 0.340 0.000 0.978 36 N CB 1.280 39.855 38.487 0.146 0.000 1.180 36 N HN -0.835 7.708 8.380 0.329 0.035 0.484 37 W N 1.006 122.417 121.300 0.186 0.000 3.031 37 W HA 0.303 nan 4.660 nan 0.000 0.337 37 W C -2.122 174.519 176.519 0.203 0.000 1.187 37 W CA -2.018 55.435 57.345 0.179 0.000 1.166 37 W CB 1.950 31.517 29.460 0.177 0.000 1.437 37 W HN -0.323 7.881 8.180 0.038 0.000 0.551 38 D N 1.830 122.398 120.400 0.280 0.000 2.225 38 D HA 0.267 nan 4.640 nan 0.000 0.248 38 D C -1.256 175.212 176.300 0.278 0.000 1.096 38 D CA 0.337 54.405 54.000 0.114 0.000 0.863 38 D CB 0.845 41.705 40.800 0.099 0.000 1.156 38 D HN -0.054 8.547 8.370 0.386 0.000 0.450 39 F N -0.609 119.329 119.950 -0.020 0.000 2.628 39 F HA 0.363 nan 4.527 nan 0.000 0.309 39 F C 0.179 175.973 175.800 -0.010 0.000 1.108 39 F CA -1.911 56.104 58.000 0.025 0.000 0.971 39 F CB 1.744 40.769 39.000 0.041 0.000 1.279 39 F HN -0.510 7.586 8.300 -0.340 0.000 0.441 40 K N 2.092 122.575 120.400 0.138 0.000 2.071 40 K HA -0.425 nan 4.320 nan 0.000 0.217 40 K C 0.332 176.907 176.600 -0.042 0.000 1.054 40 K CA 2.779 59.088 56.287 0.036 0.000 0.937 40 K CB -0.270 32.276 32.500 0.078 0.000 0.719 40 K HN 0.395 8.765 8.250 0.200 0.000 0.454 41 N N -2.606 116.115 118.700 0.035 0.000 2.413 41 N HA -0.042 nan 4.740 nan 0.000 0.207 41 N C -1.103 174.235 175.510 -0.287 0.000 1.206 41 N CA -0.332 52.699 53.050 -0.032 0.000 0.832 41 N CB -0.310 38.242 38.487 0.109 0.000 1.037 41 N HN -0.180 8.341 8.380 0.235 0.000 0.467 42 N N 2.094 120.337 118.700 -0.762 0.000 2.739 42 N HA -0.022 nan 4.740 nan 0.000 0.266 42 N C -1.483 173.758 175.510 -0.448 0.000 1.168 42 N CA -0.044 52.398 53.050 -1.014 0.000 1.055 42 N CB -0.671 36.907 38.487 -1.514 0.000 1.393 42 N HN -0.286 7.630 8.380 -0.636 0.083 0.514 43 R N 1.311 121.650 120.500 -0.268 0.000 2.764 43 R HA 0.429 nan 4.340 nan 0.000 0.270 43 R C -1.186 175.048 176.300 -0.110 0.000 1.014 43 R CA -1.712 54.294 56.100 -0.156 0.000 0.904 43 R CB 1.828 32.055 30.300 -0.121 0.000 1.236 43 R HN -0.564 7.561 8.270 -0.242 0.000 0.466 44 T N -0.604 113.912 114.554 -0.063 0.000 2.932 44 T HA -0.006 nan 4.350 nan 0.000 0.312 44 T C 0.270 174.916 174.700 -0.090 0.000 1.071 44 T CA 0.460 62.540 62.100 -0.033 0.000 1.128 44 T CB 0.079 68.970 68.868 0.038 0.000 0.984 44 T HN 0.100 8.310 8.240 -0.049 0.000 0.549 45 K N 1.194 121.496 120.400 -0.163 0.000 2.444 45 K HA -0.044 nan 4.320 nan 0.000 0.193 45 K C -0.587 175.696 176.600 -0.529 0.000 1.024 45 K CA 0.869 56.948 56.287 -0.346 0.000 1.077 45 K CB 0.637 32.862 32.500 -0.459 0.000 0.833 45 K HN 0.096 8.595 8.250 -0.117 -0.318 0.517 46 Y N -1.569 118.692 120.300 -0.065 0.000 2.446 46 Y HA -0.007 nan 4.550 nan 0.000 0.338 46 Y C -0.734 175.139 175.900 -0.045 0.000 1.055 46 Y CA -1.059 57.006 58.100 -0.059 0.000 1.101 46 Y CB 1.534 39.954 38.460 -0.067 0.000 1.221 46 Y HN -0.713 7.487 8.280 -0.012 0.072 0.460 47 A N 4.542 127.422 122.820 0.099 0.000 2.488 47 A HA 0.017 nan 4.320 nan 0.000 0.249 47 A C -1.417 176.200 177.584 0.056 0.000 1.083 47 A CA 0.872 52.933 52.037 0.041 0.000 0.768 47 A CB 0.549 19.559 19.000 0.017 0.000 1.017 47 A HN 0.145 8.372 8.150 0.128 0.000 0.496 48 T N 0.226 114.801 114.554 0.034 0.000 2.853 48 T HA 0.188 nan 4.350 nan 0.000 0.311 48 T C -0.681 174.015 174.700 -0.007 0.000 1.307 48 T CA -0.563 61.573 62.100 0.061 0.000 1.019 48 T CB 1.965 70.902 68.868 0.115 0.000 1.264 48 T HN -0.222 8.025 8.240 0.012 0.000 0.497 49 K N 2.100 122.458 120.400 -0.071 0.000 2.361 49 K HA 0.189 nan 4.320 nan 0.000 0.194 49 K C -0.189 176.233 176.600 -0.298 0.000 1.032 49 K CA 0.178 56.266 56.287 -0.331 0.000 1.048 49 K CB 1.485 33.502 32.500 -0.804 0.000 0.842 49 K HN 0.107 8.625 8.250 0.076 -0.223 0.526 50 Y N -2.154 118.146 120.300 0.001 0.000 2.534 50 Y HA 0.158 nan 4.550 nan 0.000 0.329 50 Y C -0.949 174.963 175.900 0.021 0.000 1.154 50 Y CA -1.660 56.460 58.100 0.033 0.000 1.192 50 Y CB 2.252 40.733 38.460 0.034 0.000 1.275 50 Y HN -0.821 7.563 8.280 0.274 0.060 0.491 51 K N 1.671 122.186 120.400 0.193 0.000 2.535 51 K HA 0.266 nan 4.320 nan 0.000 0.253 51 K C -1.452 175.202 176.600 0.090 0.000 0.953 51 K CA -1.006 55.342 56.287 0.102 0.000 0.863 51 K CB 1.931 34.471 32.500 0.066 0.000 1.111 51 K HN 0.159 8.717 8.250 0.231 -0.170 0.431 52 M N 5.501 125.143 119.600 0.069 0.000 2.146 52 M HA -0.041 nan 4.480 nan 0.000 0.357 52 M C 0.192 176.508 176.300 0.027 0.000 1.261 52 M CA -0.400 54.928 55.300 0.046 0.000 1.106 52 M CB 0.641 33.275 32.600 0.056 0.000 1.612 52 M HN 0.301 8.630 8.290 0.065 0.000 0.470 53 A N 4.222 127.050 122.820 0.013 0.000 2.511 53 A HA -0.055 nan 4.320 nan 0.000 0.242 53 A C -0.344 177.239 177.584 -0.001 0.000 1.069 53 A CA -0.255 51.785 52.037 0.005 0.000 0.763 53 A CB 0.709 19.707 19.000 -0.003 0.000 1.001 53 A HN 0.586 8.622 8.150 0.007 0.117 0.498 54 N N 0.467 119.166 118.700 -0.002 0.000 2.461 54 N HA -0.175 nan 4.740 nan 0.000 0.188 54 N C 0.151 175.657 175.510 -0.007 0.000 1.134 54 N CA 1.414 54.462 53.050 -0.004 0.000 0.878 54 N CB -0.175 38.309 38.487 -0.005 0.000 0.972 54 N HN 0.291 8.670 8.380 -0.000 0.000 0.456 55 E N -3.338 116.856 120.200 -0.010 0.000 2.496 55 E HA 0.064 nan 4.350 nan 0.000 0.200 55 E C -0.431 176.154 176.600 -0.026 0.000 1.016 55 E CA -0.691 55.700 56.400 -0.016 0.000 0.962 55 E CB -0.572 29.122 29.700 -0.011 0.000 1.071 55 E HN -0.184 8.126 8.360 -0.008 0.045 0.457 56 T N 3.296 117.832 114.554 -0.031 0.000 2.853 56 T HA -0.069 nan 4.350 nan 0.000 0.298 56 T C -0.970 173.700 174.700 -0.050 0.000 0.978 56 T CA 1.843 63.917 62.100 -0.043 0.000 1.152 56 T CB 0.166 69.003 68.868 -0.052 0.000 0.914 56 T HN -0.752 7.408 8.240 -0.025 0.065 0.539 57 K N 4.620 124.993 120.400 -0.046 0.000 2.109 57 K HA 0.509 nan 4.320 nan 0.000 0.243 57 K C -0.657 175.916 176.600 -0.045 0.000 1.006 57 K CA -0.894 55.368 56.287 -0.042 0.000 0.917 57 K CB 1.643 34.120 32.500 -0.039 0.000 1.081 57 K HN 0.236 8.461 8.250 -0.041 0.000 0.468 58 E N -0.175 120.007 120.200 -0.031 0.000 2.320 58 E HA 0.304 nan 4.350 nan 0.000 0.264 58 E C -0.919 175.628 176.600 -0.089 0.000 0.923 58 E CA -1.881 54.493 56.400 -0.043 0.000 0.796 58 E CB 2.372 32.061 29.700 -0.019 0.000 1.262 58 E HN -0.042 8.533 8.360 -0.002 -0.217 0.428 59 Q N -1.161 118.551 119.800 -0.146 0.000 2.339 59 Q HA 0.047 nan 4.340 nan 0.000 0.205 59 Q C 0.126 175.752 176.000 -0.623 0.000 0.925 59 Q CA 1.192 56.749 55.803 -0.409 0.000 0.898 59 Q CB 0.979 29.380 28.738 -0.563 0.000 1.013 59 Q HN 0.491 8.731 8.270 -0.049 0.000 0.504 60 F N -0.606 119.271 119.950 -0.120 0.000 2.411 60 F HA 0.123 nan 4.527 nan 0.000 0.352 60 F C -0.689 174.945 175.800 -0.276 0.000 1.123 60 F CA -1.253 56.662 58.000 -0.142 0.000 1.044 60 F CB 1.468 40.424 39.000 -0.074 0.000 1.135 60 F HN -0.556 7.789 8.300 0.075 0.000 0.461 61 K N 5.932 126.168 120.400 -0.273 0.000 2.307 61 K HA 0.045 nan 4.320 nan 0.000 0.240 61 K C -1.105 175.292 176.600 -0.337 0.000 1.214 61 K CA -0.286 55.587 56.287 -0.690 0.000 1.149 61 K CB -1.384 30.809 32.500 -0.512 0.000 1.668 61 K HN 0.396 8.543 8.250 -0.172 0.000 0.314 62 L N -0.469 120.653 121.223 -0.167 0.000 2.334 62 L HA 0.216 nan 4.340 nan 0.000 0.270 62 L C -0.823 176.103 176.870 0.093 0.000 1.018 62 L CA -1.230 53.621 54.840 0.019 0.000 0.811 62 L CB 2.231 44.341 42.059 0.085 0.000 1.271 62 L HN -0.436 7.647 8.230 -0.191 0.032 0.443 63 I N -4.270 116.363 120.570 0.106 0.000 3.067 63 I HA 0.316 nan 4.170 nan 0.000 0.312 63 I C -0.064 176.121 176.117 0.113 0.000 1.073 63 I CA -2.506 58.861 61.300 0.111 0.000 1.016 63 I CB 3.599 41.670 38.000 0.119 0.000 1.227 63 I HN -0.296 7.974 8.210 0.100 0.000 0.456 64 A N 1.879 124.755 122.820 0.094 0.000 1.892 64 A HA -0.333 nan 4.320 nan 0.000 0.218 64 A C 2.222 179.899 177.584 0.155 0.000 1.188 64 A CA 3.625 55.726 52.037 0.106 0.000 0.631 64 A CB -0.858 18.182 19.000 0.066 0.000 0.822 64 A HN 0.616 8.816 8.150 0.083 0.000 0.447 65 K N -2.291 118.176 120.400 0.111 0.000 2.026 65 K HA -0.284 nan 4.320 nan 0.000 0.208 65 K C 2.413 179.058 176.600 0.075 0.000 1.048 65 K CA 3.356 59.696 56.287 0.089 0.000 0.929 65 K CB -0.413 32.130 32.500 0.071 0.000 0.713 65 K HN 0.088 8.398 8.250 0.099 0.000 0.439 66 E N -0.589 119.658 120.200 0.078 0.000 2.072 66 E HA -0.231 nan 4.350 nan 0.000 0.191 66 E C 1.956 178.578 176.600 0.037 0.000 0.985 66 E CA 2.247 58.678 56.400 0.050 0.000 0.801 66 E CB -0.834 28.899 29.700 0.055 0.000 0.750 66 E HN -0.442 7.972 8.360 0.091 0.000 0.452 67 Y N 0.983 121.284 120.300 0.002 0.000 2.069 67 Y HA -0.557 nan 4.550 nan 0.000 0.278 67 Y C 1.381 177.278 175.900 -0.004 0.000 1.175 67 Y CA 3.735 61.829 58.100 -0.010 0.000 1.134 67 Y CB -0.253 38.197 38.460 -0.016 0.000 0.965 67 Y HN -0.164 8.243 8.280 0.211 0.000 0.498 68 A N -2.814 119.977 122.820 -0.047 0.000 1.902 68 A HA -0.415 nan 4.320 nan 0.000 0.217 68 A C 1.935 179.443 177.584 -0.125 0.000 1.181 68 A CA 3.040 55.026 52.037 -0.086 0.000 0.623 68 A CB -1.005 18.041 19.000 0.076 0.000 0.818 68 A HN 0.008 8.261 8.150 0.172 0.000 0.443 69 R N -0.968 119.487 120.500 -0.075 0.000 2.073 69 R HA -0.340 nan 4.340 nan 0.000 0.234 69 R C 2.050 178.291 176.300 -0.100 0.000 1.134 69 R CA 3.182 59.245 56.100 -0.061 0.000 0.952 69 R CB -0.083 30.201 30.300 -0.028 0.000 0.850 69 R HN -0.339 7.910 8.270 -0.035 0.000 0.433 70 M N -0.823 118.694 119.600 -0.140 0.000 2.149 70 M HA -0.342 nan 4.480 nan 0.000 0.261 70 M C 2.224 178.410 176.300 -0.190 0.000 1.064 70 M CA 3.438 58.647 55.300 -0.151 0.000 1.102 70 M CB -0.013 32.489 32.600 -0.163 0.000 1.369 70 M HN 0.015 8.221 8.290 -0.140 0.000 0.408 71 E N -2.033 117.993 120.200 -0.290 0.000 2.086 71 E HA -0.169 nan 4.350 nan 0.000 0.190 71 E C 2.227 178.759 176.600 -0.113 0.000 0.975 71 E CA 2.025 58.282 56.400 -0.238 0.000 0.813 71 E CB -0.258 29.225 29.700 -0.361 0.000 0.768 71 E HN -0.327 7.786 8.360 -0.394 0.011 0.457 72 A N 0.305 123.071 122.820 -0.090 0.000 1.940 72 A HA -0.242 nan 4.320 nan 0.000 0.219 72 A C 2.452 180.026 177.584 -0.016 0.000 1.176 72 A CA 3.180 55.201 52.037 -0.027 0.000 0.631 72 A CB -0.644 18.343 19.000 -0.022 0.000 0.814 72 A HN 0.144 8.218 8.150 -0.128 0.000 0.446 73 V N -2.191 117.701 119.914 -0.037 0.000 2.407 73 V HA -0.466 nan 4.120 nan 0.000 0.248 73 V C 2.043 178.119 176.094 -0.029 0.000 1.055 73 V CA 4.597 66.881 62.300 -0.027 0.000 1.049 73 V CB -0.848 30.953 31.823 -0.036 0.000 0.662 73 V HN -0.239 7.907 8.190 -0.057 0.010 0.455 74 K N -0.753 119.620 120.400 -0.046 0.000 2.097 74 K HA -0.357 nan 4.320 nan 0.000 0.205 74 K C 2.116 178.678 176.600 -0.063 0.000 1.050 74 K CA 3.438 59.692 56.287 -0.055 0.000 0.938 74 K CB -0.562 31.900 32.500 -0.063 0.000 0.718 74 K HN -0.498 7.622 8.250 -0.059 0.095 0.442 75 D N -0.027 120.357 120.400 -0.028 0.000 2.117 75 D HA -0.241 nan 4.640 nan 0.000 0.197 75 D C 2.383 178.732 176.300 0.083 0.000 0.987 75 D CA 3.432 57.443 54.000 0.019 0.000 0.829 75 D CB -0.571 40.333 40.800 0.172 0.000 0.961 75 D HN -0.137 8.222 8.370 -0.018 0.000 0.460 76 E N -0.909 119.332 120.200 0.068 0.000 2.077 76 E HA -0.344 nan 4.350 nan 0.000 0.193 76 E C 2.121 178.747 176.600 0.043 0.000 0.989 76 E CA 2.717 59.163 56.400 0.076 0.000 0.800 76 E CB -0.247 29.477 29.700 0.040 0.000 0.746 76 E HN -0.513 7.872 8.360 0.041 0.000 0.452 77 R N -2.144 118.353 120.500 -0.004 0.000 2.070 77 R HA -0.289 nan 4.340 nan 0.000 0.233 77 R C 2.266 178.531 176.300 -0.057 0.000 1.137 77 R CA 2.846 58.931 56.100 -0.025 0.000 0.945 77 R CB 0.083 30.360 30.300 -0.038 0.000 0.845 77 R HN -0.848 7.416 8.270 -0.011 0.000 0.430 78 Q N -0.822 118.897 119.800 -0.134 0.000 1.985 78 Q HA -0.264 nan 4.340 nan 0.000 0.207 78 Q C 1.239 177.074 176.000 -0.275 0.000 0.996 78 Q CA 3.053 58.693 55.803 -0.271 0.000 0.851 78 Q CB 0.532 28.982 28.738 -0.479 0.000 0.921 78 Q HN -0.377 7.817 8.270 -0.128 0.000 0.418 79 F N -3.928 115.972 119.950 -0.084 0.000 2.426 79 F HA -0.319 nan 4.527 nan 0.000 0.309 79 F C 1.450 177.234 175.800 -0.027 0.000 1.246 79 F CA 1.852 59.802 58.000 -0.082 0.000 1.229 79 F CB 0.230 39.154 39.000 -0.127 0.000 1.255 79 F HN -0.091 8.069 8.300 -0.234 0.000 0.558 80 G N -1.148 107.761 108.800 0.183 0.000 5.155 80 G HA2 -0.583 nan 3.960 nan 0.000 0.239 80 G HA3 -0.583 nan 3.960 nan 0.000 0.239 80 G C 1.194 176.134 174.900 0.067 0.000 1.409 80 G CA 1.748 46.908 45.100 0.100 0.000 0.927 80 G HN -0.117 8.526 8.290 0.215 -0.224 0.710 81 S N 4.851 120.568 115.700 0.028 0.000 2.351 81 S HA -0.196 nan 4.470 nan 0.000 0.220 81 S C 1.805 176.411 174.600 0.011 0.000 1.035 81 S CA 4.075 62.276 58.200 0.003 0.000 1.031 81 S CB -0.216 62.963 63.200 -0.036 0.000 0.928 81 S HN -0.531 7.772 8.310 0.013 0.016 0.433 82 L N -0.918 120.306 121.223 0.002 0.000 2.021 82 L HA -0.401 nan 4.340 nan 0.000 0.215 82 L C 2.250 179.233 176.870 0.188 0.000 1.074 82 L CA 3.570 58.413 54.840 0.004 0.000 0.760 82 L CB -0.890 41.230 42.059 0.101 0.000 0.889 82 L HN -0.415 7.802 8.230 -0.021 0.000 0.433 83 Q N -3.591 116.337 119.800 0.214 0.000 2.163 83 Q HA -0.237 nan 4.340 nan 0.000 0.198 83 Q C 1.516 177.599 176.000 0.139 0.000 0.954 83 Q CA 2.556 58.486 55.803 0.212 0.000 0.851 83 Q CB 0.184 29.032 28.738 0.184 0.000 0.928 83 Q HN -0.278 8.156 8.270 0.182 -0.055 0.459 84 V N -1.799 118.174 119.914 0.099 0.000 2.906 84 V HA -0.036 nan 4.120 nan 0.000 0.221 84 V C 0.289 176.421 176.094 0.063 0.000 1.147 84 V CA 1.707 64.049 62.300 0.071 0.000 1.235 84 V CB 0.621 32.475 31.823 0.052 0.000 1.000 84 V HN 0.278 8.425 8.190 0.091 0.098 0.510 85 A N -0.247 122.600 122.820 0.045 0.000 1.902 85 A HA -0.282 nan 4.320 nan 0.000 0.217 85 A C 2.129 179.735 177.584 0.037 0.000 1.181 85 A CA 3.387 55.444 52.037 0.033 0.000 0.623 85 A CB -0.700 18.311 19.000 0.018 0.000 0.818 85 A HN -0.101 8.074 8.150 0.040 0.000 0.443 86 L N -4.331 116.914 121.223 0.037 0.000 2.156 86 L HA -0.383 nan 4.340 nan 0.000 0.208 86 L C 2.000 178.934 176.870 0.107 0.000 1.095 86 L CA 3.146 58.007 54.840 0.036 0.000 0.770 86 L CB -0.588 41.446 42.059 -0.042 0.000 0.914 86 L HN 0.235 8.485 8.230 0.033 0.000 0.439 87 T N 0.933 115.580 114.554 0.155 0.000 2.777 87 T HA -0.264 nan 4.350 nan 0.000 0.266 87 T C 2.843 177.591 174.700 0.079 0.000 1.040 87 T CA 4.284 66.478 62.100 0.157 0.000 1.141 87 T CB -0.689 68.274 68.868 0.157 0.000 0.868 87 T HN -0.437 7.891 8.240 0.147 0.000 0.444 88 R N 1.666 122.204 120.500 0.062 0.000 2.115 88 R HA -0.153 nan 4.340 nan 0.000 0.226 88 R C 1.646 177.967 176.300 0.034 0.000 1.100 88 R CA 2.519 58.644 56.100 0.040 0.000 0.980 88 R CB -0.042 30.279 30.300 0.035 0.000 0.875 88 R HN -0.253 8.057 8.270 0.068 0.000 0.445 89 L N -3.564 117.681 121.223 0.037 0.000 2.552 89 L HA 0.063 nan 4.340 nan 0.000 0.227 89 L C -0.605 176.288 176.870 0.039 0.000 1.146 89 L CA 0.018 54.877 54.840 0.031 0.000 0.858 89 L CB -1.150 40.925 42.059 0.026 0.000 0.969 89 L HN -0.311 7.945 8.230 0.042 0.000 0.451 90 N N -2.166 116.563 118.700 0.049 0.000 2.727 90 N HA -0.371 nan 4.740 nan 0.000 0.249 90 N C 0.782 176.332 175.510 0.066 0.000 1.048 90 N CA 0.421 53.502 53.050 0.050 0.000 0.714 90 N CB 0.049 38.555 38.487 0.032 0.000 0.959 90 N HN -0.590 7.606 8.380 0.054 0.216 0.544 91 A N -2.482 120.385 122.820 0.079 0.000 2.125 91 A HA -0.134 nan 4.320 nan 0.000 0.219 91 A C 0.702 178.346 177.584 0.100 0.000 1.156 91 A CA 2.567 54.649 52.037 0.076 0.000 0.671 91 A CB -0.454 18.569 19.000 0.039 0.000 0.794 91 A HN 0.187 8.388 8.150 0.086 0.000 0.459 92 G N -2.732 106.142 108.800 0.123 0.000 2.448 92 G HA2 -0.124 nan 3.960 nan 0.000 0.218 92 G HA3 -0.124 nan 3.960 nan 0.000 0.218 92 G C 0.724 175.712 174.900 0.147 0.000 1.135 92 G CA 1.140 46.287 45.100 0.078 0.000 0.784 92 G HN 0.052 8.392 8.290 0.145 0.037 0.543 93 V N 0.492 120.473 119.914 0.111 0.000 3.125 93 V HA -0.021 nan 4.120 nan 0.000 0.249 93 V C 1.598 177.765 176.094 0.121 0.000 1.113 93 V CA 1.236 63.602 62.300 0.110 0.000 1.106 93 V CB 0.248 32.106 31.823 0.058 0.000 0.768 93 V HN -0.556 7.654 8.190 0.085 0.032 0.468 94 R N -0.850 119.721 120.500 0.118 0.000 4.263 94 R HA 0.053 nan 4.340 nan 0.000 0.248 94 R C -1.187 175.199 176.300 0.144 0.000 1.796 94 R CA -0.300 55.864 56.100 0.108 0.000 1.518 94 R CB -1.655 28.693 30.300 0.079 0.000 1.342 94 R HN -0.463 7.876 8.270 0.114 0.000 0.706 95 V N -1.463 118.564 119.914 0.188 0.000 2.769 95 V HA 0.247 nan 4.120 nan 0.000 0.312 95 V C -0.571 175.666 176.094 0.239 0.000 1.061 95 V CA -1.870 60.585 62.300 0.258 0.000 0.931 95 V CB 2.789 34.840 31.823 0.380 0.000 1.010 95 V HN -0.501 7.725 8.190 0.168 0.065 0.433 96 H N 7.256 126.454 119.070 0.213 0.000 2.964 96 H HA 0.080 nan 4.556 nan 0.000 0.328 96 H C -0.801 174.632 175.328 0.175 0.000 1.030 96 H CA -0.103 56.051 56.048 0.177 0.000 1.445 96 H CB 1.487 31.350 29.762 0.169 0.000 1.449 96 H HN 0.152 8.663 8.280 0.385 0.000 0.581 97 P HA -0.466 nan 4.420 nan 0.000 0.224 97 P C 1.126 178.490 177.300 0.107 0.000 1.153 97 P CA 3.477 66.541 63.100 -0.060 0.000 0.947 97 P CB 0.198 31.790 31.700 -0.181 0.000 0.790 98 K N -3.340 117.236 120.400 0.293 0.000 2.063 98 K HA -0.317 nan 4.320 nan 0.000 0.208 98 K C 2.363 179.088 176.600 0.208 0.000 1.048 98 K CA 3.128 59.577 56.287 0.269 0.000 0.928 98 K CB -0.304 32.395 32.500 0.332 0.000 0.713 98 K HN -0.583 7.910 8.250 0.405 0.000 0.442 99 W N 0.348 121.723 121.300 0.125 0.000 2.476 99 W HA -0.257 nan 4.660 nan 0.000 0.281 99 W C 0.873 177.370 176.519 -0.038 0.000 1.230 99 W CA 2.123 59.501 57.345 0.056 0.000 1.287 99 W CB 0.763 30.295 29.460 0.120 0.000 1.108 99 W HN 0.019 8.370 8.180 0.509 0.134 0.567 100 N N 0.072 118.791 118.700 0.031 0.000 2.149 100 N HA -0.409 nan 4.740 nan 0.000 0.188 100 N C 1.981 177.347 175.510 -0.240 0.000 1.019 100 N CA 4.059 57.041 53.050 -0.113 0.000 0.857 100 N CB -0.100 38.424 38.487 0.061 0.000 0.997 100 N HN -0.317 8.178 8.380 0.191 0.000 0.426 101 E N -1.591 118.486 120.200 -0.206 0.000 2.076 101 E HA -0.078 nan 4.350 nan 0.000 0.190 101 E C 2.803 179.132 176.600 -0.450 0.000 0.979 101 E CA 2.139 58.377 56.400 -0.269 0.000 0.807 101 E CB -0.368 29.262 29.700 -0.117 0.000 0.761 101 E HN -0.539 7.664 8.360 -0.100 0.097 0.454 102 T N 4.307 118.557 114.554 -0.506 0.000 2.720 102 T HA -0.278 nan 4.350 nan 0.000 0.268 102 T C 1.983 176.225 174.700 -0.763 0.000 1.037 102 T CA 4.661 66.342 62.100 -0.699 0.000 1.144 102 T CB -0.445 67.926 68.868 -0.827 0.000 0.864 102 T HN 0.118 8.128 8.240 -0.383 0.000 0.444 103 M N -0.912 118.211 119.600 -0.795 0.000 2.460 103 M HA -0.189 nan 4.480 nan 0.000 0.263 103 M C 1.819 177.902 176.300 -0.362 0.000 1.071 103 M CA 0.389 55.350 55.300 -0.566 0.000 1.096 103 M CB -1.679 30.554 32.600 -0.611 0.000 1.408 103 M HN 0.193 7.961 8.290 -0.858 0.007 0.463 104 K N 0.005 120.079 120.400 -0.543 0.000 2.097 104 K HA -0.265 nan 4.320 nan 0.000 0.205 104 K C 2.369 178.866 176.600 -0.172 0.000 1.050 104 K CA 3.273 59.317 56.287 -0.406 0.000 0.938 104 K CB -0.275 31.945 32.500 -0.466 0.000 0.718 104 K HN -0.337 7.377 8.250 -0.636 0.154 0.442 105 V N 0.404 120.022 119.914 -0.493 0.000 2.331 105 V HA -0.167 nan 4.120 nan 0.000 0.242 105 V C 1.741 177.610 176.094 -0.375 0.000 1.034 105 V CA 4.070 65.968 62.300 -0.669 0.000 1.027 105 V CB -0.206 30.960 31.823 -1.096 0.000 0.667 105 V HN -0.494 7.208 8.190 -0.625 0.112 0.457 106 V N -0.295 119.444 119.914 -0.291 0.000 2.287 106 V HA -0.507 nan 4.120 nan 0.000 0.248 106 V C 1.961 178.160 176.094 0.176 0.000 1.053 106 V CA 5.130 67.395 62.300 -0.058 0.000 1.027 106 V CB -1.047 30.714 31.823 -0.103 0.000 0.646 106 V HN 0.280 8.213 8.190 -0.427 0.000 0.447 107 S N -1.421 114.389 115.700 0.183 0.000 2.357 107 S HA -0.309 nan 4.470 nan 0.000 0.221 107 S C 1.985 176.780 174.600 0.324 0.000 1.031 107 S CA 3.902 62.304 58.200 0.338 0.000 0.982 107 S CB -0.298 63.097 63.200 0.325 0.000 0.853 107 S HN -0.249 8.090 8.310 0.049 0.000 0.458 108 N N 1.585 120.454 118.700 0.282 0.000 2.270 108 N HA -0.208 nan 4.740 nan 0.000 0.181 108 N C 2.449 178.246 175.510 0.479 0.000 1.016 108 N CA 3.100 56.334 53.050 0.307 0.000 0.870 108 N CB -0.004 38.620 38.487 0.227 0.000 0.979 108 N HN -0.702 7.806 8.380 0.215 0.000 0.431 109 F N -0.756 119.345 119.950 0.251 0.000 2.293 109 F HA -0.087 nan 4.527 nan 0.000 0.297 109 F C 1.994 177.998 175.800 0.339 0.000 1.089 109 F CA 0.964 59.167 58.000 0.339 0.000 1.377 109 F CB -0.175 39.015 39.000 0.316 0.000 1.051 109 F HN 0.142 8.738 8.300 0.494 0.000 0.511 110 L N -0.545 120.968 121.223 0.484 0.000 2.083 110 L HA -0.463 nan 4.340 nan 0.000 0.209 110 L C 1.427 178.524 176.870 0.378 0.000 1.083 110 L CA 3.094 58.187 54.840 0.421 0.000 0.752 110 L CB -0.257 41.974 42.059 0.287 0.000 0.899 110 L HN 0.195 8.688 8.230 0.437 0.000 0.433 111 E N -0.231 120.175 120.200 0.343 0.000 2.097 111 E HA -0.449 nan 4.350 nan 0.000 0.196 111 E C 2.087 178.875 176.600 0.314 0.000 1.000 111 E CA 3.690 60.267 56.400 0.294 0.000 0.804 111 E CB -0.092 29.762 29.700 0.255 0.000 0.740 111 E HN -0.190 8.311 8.360 0.357 0.073 0.454 112 V N -1.302 118.824 119.914 0.352 0.000 2.515 112 V HA -0.223 nan 4.120 nan 0.000 0.250 112 V C 1.471 177.748 176.094 0.305 0.000 1.058 112 V CA 3.464 65.972 62.300 0.347 0.000 1.064 112 V CB -0.586 31.501 31.823 0.440 0.000 0.675 112 V HN -0.546 7.869 8.190 0.393 0.011 0.461 113 G N -0.809 108.194 108.800 0.339 0.000 2.394 113 G HA2 -0.251 nan 3.960 nan 0.000 0.215 113 G HA3 -0.251 nan 3.960 nan 0.000 0.215 113 G C 1.103 176.139 174.900 0.226 0.000 1.165 113 G CA 2.092 47.324 45.100 0.221 0.000 0.784 113 G HN -0.121 8.305 8.290 0.426 0.119 0.535 114 E N 2.595 122.933 120.200 0.229 0.000 2.070 114 E HA -0.403 nan 4.350 nan 0.000 0.197 114 E C 2.100 178.790 176.600 0.151 0.000 1.004 114 E CA 2.921 59.436 56.400 0.191 0.000 0.805 114 E CB -0.552 29.283 29.700 0.226 0.000 0.744 114 E HN -0.259 8.264 8.360 0.272 0.000 0.451 115 Y N 0.502 120.861 120.300 0.099 0.000 2.114 115 Y HA -0.438 nan 4.550 nan 0.000 0.284 115 Y C 1.822 177.763 175.900 0.068 0.000 1.143 115 Y CA 3.707 61.846 58.100 0.065 0.000 1.135 115 Y CB 0.177 38.683 38.460 0.076 0.000 0.980 115 Y HN 0.182 8.673 8.280 0.351 0.000 0.499 116 N N -1.351 117.417 118.700 0.112 0.000 2.309 116 N HA -0.362 nan 4.740 nan 0.000 0.182 116 N C 1.979 177.517 175.510 0.046 0.000 1.018 116 N CA 3.169 56.255 53.050 0.059 0.000 0.876 116 N CB -0.256 38.325 38.487 0.157 0.000 0.972 116 N HN 0.056 8.597 8.380 0.268 0.000 0.434 117 A N -0.077 122.781 122.820 0.063 0.000 2.019 117 A HA -0.192 nan 4.320 nan 0.000 0.219 117 A C 1.642 179.104 177.584 -0.203 0.000 1.164 117 A CA 2.748 54.694 52.037 -0.152 0.000 0.644 117 A CB -0.880 17.997 19.000 -0.206 0.000 0.805 117 A HN 0.170 8.397 8.150 0.151 0.014 0.449 118 I N -0.753 119.692 120.570 -0.208 0.000 2.099 118 I HA -0.615 nan 4.170 nan 0.000 0.239 118 I C 1.587 177.592 176.117 -0.186 0.000 1.066 118 I CA 3.965 65.137 61.300 -0.214 0.000 1.324 118 I CB -0.357 37.465 38.000 -0.298 0.000 1.037 118 I HN -0.526 7.441 8.210 -0.209 0.117 0.401 119 A N -1.779 120.907 122.820 -0.223 0.000 1.933 119 A HA -0.348 nan 4.320 nan 0.000 0.218 119 A C 1.846 179.320 177.584 -0.184 0.000 1.175 119 A CA 3.011 54.941 52.037 -0.178 0.000 0.628 119 A CB -1.057 17.845 19.000 -0.163 0.000 0.814 119 A HN -0.547 7.423 8.150 -0.300 0.000 0.444 120 A N -2.605 120.105 122.820 -0.183 0.000 1.883 120 A HA -0.365 nan 4.320 nan 0.000 0.217 120 A C 1.970 179.385 177.584 -0.281 0.000 1.186 120 A CA 3.346 55.245 52.037 -0.230 0.000 0.624 120 A CB -0.466 18.379 19.000 -0.258 0.000 0.822 120 A HN 0.322 8.379 8.150 -0.155 0.000 0.444 121 T N -4.311 110.094 114.554 -0.248 0.000 3.055 121 T HA -0.064 nan 4.350 nan 0.000 0.265 121 T C 2.214 176.877 174.700 -0.061 0.000 1.111 121 T CA 3.086 65.050 62.100 -0.227 0.000 1.118 121 T CB -0.487 68.272 68.868 -0.181 0.000 0.909 121 T HN 0.055 8.156 8.240 -0.232 0.000 0.501 122 G N 2.478 111.257 108.800 -0.036 0.000 2.421 122 G HA2 -0.378 nan 3.960 nan 0.000 0.216 122 G HA3 -0.378 nan 3.960 nan 0.000 0.216 122 G C 0.425 175.215 174.900 -0.183 0.000 1.171 122 G CA 2.040 47.138 45.100 -0.003 0.000 0.775 122 G HN 0.077 8.243 8.290 -0.085 0.073 0.543 123 M N 2.481 121.909 119.600 -0.287 0.000 2.149 123 M HA -0.385 nan 4.480 nan 0.000 0.261 123 M C 1.740 177.847 176.300 -0.321 0.000 1.064 123 M CA 3.648 58.681 55.300 -0.445 0.000 1.102 123 M CB 0.075 32.305 32.600 -0.616 0.000 1.369 123 M HN -0.226 7.898 8.290 -0.277 0.000 0.408 124 L N -2.191 118.822 121.223 -0.350 0.000 2.109 124 L HA -0.346 nan 4.340 nan 0.000 0.207 124 L C 1.667 178.455 176.870 -0.138 0.000 1.086 124 L CA 2.562 57.107 54.840 -0.491 0.000 0.760 124 L CB -0.519 40.869 42.059 -1.118 0.000 0.910 124 L HN -0.206 7.737 8.230 -0.364 0.069 0.437 125 W N 0.339 121.578 121.300 -0.102 0.000 2.342 125 W HA -0.445 nan 4.660 nan 0.000 0.297 125 W C 0.985 177.546 176.519 0.071 0.000 1.213 125 W CA 1.623 59.038 57.345 0.116 0.000 1.251 125 W CB -0.623 28.874 29.460 0.062 0.000 1.136 125 W HN 0.384 8.531 8.180 0.125 0.109 0.526 126 D N -2.561 117.791 120.400 -0.080 0.000 2.178 126 D HA -0.301 nan 4.640 nan 0.000 0.202 126 D C 2.188 178.513 176.300 0.041 0.000 0.974 126 D CA 3.085 57.028 54.000 -0.094 0.000 0.841 126 D CB -0.146 40.614 40.800 -0.067 0.000 0.953 126 D HN -0.169 8.109 8.370 -0.154 0.000 0.478 127 S N 0.237 115.969 115.700 0.054 0.000 2.362 127 S HA -0.192 nan 4.470 nan 0.000 0.221 127 S C -0.026 174.635 174.600 0.102 0.000 1.032 127 S CA 1.845 60.085 58.200 0.066 0.000 0.973 127 S CB 0.318 63.528 63.200 0.017 0.000 0.849 127 S HN -0.710 7.458 8.310 0.015 0.151 0.465 128 A N 0.013 122.947 122.820 0.190 0.000 2.498 128 A HA -0.069 nan 4.320 nan 0.000 0.239 128 A C -0.072 177.578 177.584 0.111 0.000 1.068 128 A CA 0.677 52.825 52.037 0.185 0.000 0.766 128 A CB 0.575 19.739 19.000 0.274 0.000 1.003 128 A HN -0.361 7.938 8.150 0.249 0.000 0.497 129 Q N 0.356 120.190 119.800 0.057 0.000 2.378 129 Q HA -0.034 nan 4.340 nan 0.000 0.216 129 Q C -0.466 175.544 176.000 0.017 0.000 0.892 129 Q CA 0.339 56.152 55.803 0.017 0.000 0.931 129 Q CB 0.575 29.304 28.738 -0.016 0.000 1.086 129 Q HN 0.645 8.946 8.270 0.051 0.000 0.528 130 A N -1.112 121.719 122.820 0.019 0.000 2.366 130 A HA 0.122 nan 4.320 nan 0.000 0.272 130 A C -0.125 177.464 177.584 0.007 0.000 1.135 130 A CA -0.526 51.513 52.037 0.002 0.000 0.804 130 A CB 0.695 19.683 19.000 -0.020 0.000 1.064 130 A HN -0.397 7.767 8.150 0.024 0.000 0.499 131 A N 5.330 128.154 122.820 0.007 0.000 1.884 131 A HA -0.419 nan 4.320 nan 0.000 0.219 131 A C 2.148 179.703 177.584 -0.048 0.000 1.197 131 A CA 3.492 55.530 52.037 0.003 0.000 0.637 131 A CB -0.689 18.303 19.000 -0.013 0.000 0.827 131 A HN 0.896 9.053 8.150 0.011 0.000 0.450 132 E N -2.641 117.510 120.200 -0.080 0.000 2.150 132 E HA -0.417 nan 4.350 nan 0.000 0.193 132 E C 2.484 179.028 176.600 -0.093 0.000 0.985 132 E CA 3.217 59.575 56.400 -0.071 0.000 0.814 132 E CB -0.456 29.211 29.700 -0.056 0.000 0.752 132 E HN 0.354 8.664 8.360 -0.083 0.000 0.466 133 Q N -0.031 119.700 119.800 -0.115 0.000 2.083 133 Q HA -0.255 nan 4.340 nan 0.000 0.198 133 Q C 2.187 178.020 176.000 -0.277 0.000 0.969 133 Q CA 3.150 58.810 55.803 -0.238 0.000 0.838 133 Q CB -0.310 28.329 28.738 -0.166 0.000 0.900 133 Q HN -0.566 7.545 8.270 -0.077 0.113 0.436 134 K N -0.875 119.501 120.400 -0.041 0.000 2.103 134 K HA -0.442 nan 4.320 nan 0.000 0.207 134 K C 2.571 179.113 176.600 -0.096 0.000 1.048 134 K CA 3.585 59.924 56.287 0.087 0.000 0.930 134 K CB -0.379 32.218 32.500 0.162 0.000 0.716 134 K HN 0.038 8.284 8.250 -0.006 0.000 0.444 135 N N -0.973 117.649 118.700 -0.129 0.000 2.188 135 N HA -0.207 nan 4.740 nan 0.000 0.184 135 N C 2.349 177.774 175.510 -0.141 0.000 1.018 135 N CA 2.989 55.949 53.050 -0.151 0.000 0.858 135 N CB -0.154 38.292 38.487 -0.068 0.000 0.989 135 N HN 0.165 8.317 8.380 -0.092 0.173 0.426 136 G N -0.959 107.750 108.800 -0.152 0.000 2.403 136 G HA2 -0.194 nan 3.960 nan 0.000 0.216 136 G HA3 -0.194 nan 3.960 nan 0.000 0.216 136 G C 1.462 176.304 174.900 -0.097 0.000 1.154 136 G CA 1.957 46.981 45.100 -0.126 0.000 0.784 136 G HN -0.235 7.852 8.290 -0.189 0.089 0.538 137 Y N 1.708 121.970 120.300 -0.063 0.000 2.293 137 Y HA -0.154 nan 4.550 nan 0.000 0.291 137 Y C 2.045 177.854 175.900 -0.151 0.000 1.137 137 Y CA 1.221 59.276 58.100 -0.076 0.000 1.202 137 Y CB -0.602 37.864 38.460 0.009 0.000 0.990 137 Y HN -0.436 7.665 8.280 -0.299 0.000 0.537 138 L N -0.906 120.244 121.223 -0.123 0.000 2.042 138 L HA -0.480 nan 4.340 nan 0.000 0.210 138 L C 1.714 178.383 176.870 -0.336 0.000 1.076 138 L CA 3.102 57.724 54.840 -0.363 0.000 0.749 138 L CB -0.579 41.142 42.059 -0.564 0.000 0.893 138 L HN 0.269 8.344 8.230 -0.132 0.076 0.432 139 A N -2.479 120.163 122.820 -0.296 0.000 1.969 139 A HA -0.357 nan 4.320 nan 0.000 0.218 139 A C 1.964 179.399 177.584 -0.248 0.000 1.169 139 A CA 2.808 54.614 52.037 -0.384 0.000 0.635 139 A CB -0.861 18.021 19.000 -0.197 0.000 0.810 139 A HN -0.472 7.548 8.150 -0.217 0.000 0.445 140 Q N -0.544 119.148 119.800 -0.181 0.000 2.079 140 Q HA -0.308 nan 4.340 nan 0.000 0.200 140 Q C 2.138 177.978 176.000 -0.267 0.000 0.974 140 Q CA 3.225 58.845 55.803 -0.304 0.000 0.840 140 Q CB 0.146 28.666 28.738 -0.363 0.000 0.898 140 Q HN -0.548 7.562 8.270 -0.129 0.083 0.430 141 V N 1.446 121.248 119.914 -0.187 0.000 2.250 141 V HA -0.461 nan 4.120 nan 0.000 0.250 141 V C 2.313 178.319 176.094 -0.147 0.000 1.060 141 V CA 4.776 66.996 62.300 -0.133 0.000 1.030 141 V CB -0.899 30.889 31.823 -0.057 0.000 0.643 141 V HN 0.139 8.239 8.190 -0.150 0.000 0.445 142 L N -2.915 118.185 121.223 -0.205 0.000 2.109 142 L HA -0.294 nan 4.340 nan 0.000 0.207 142 L C 2.275 179.118 176.870 -0.044 0.000 1.086 142 L CA 2.990 57.742 54.840 -0.147 0.000 0.760 142 L CB -1.649 40.192 42.059 -0.363 0.000 0.910 142 L HN -0.262 7.798 8.230 -0.284 0.000 0.437 143 D N 0.237 120.590 120.400 -0.078 0.000 2.144 143 D HA -0.288 nan 4.640 nan 0.000 0.199 143 D C 2.690 178.741 176.300 -0.415 0.000 0.984 143 D CA 3.820 57.727 54.000 -0.156 0.000 0.834 143 D CB -0.518 40.282 40.800 -0.001 0.000 0.955 143 D HN 0.080 8.292 8.370 -0.141 0.073 0.465 144 E N -0.710 119.340 120.200 -0.251 0.000 2.285 144 E HA -0.116 nan 4.350 nan 0.000 0.194 144 E C 2.608 179.168 176.600 -0.066 0.000 0.997 144 E CA 1.899 58.208 56.400 -0.152 0.000 0.845 144 E CB -0.339 29.276 29.700 -0.141 0.000 0.782 144 E HN -0.024 8.196 8.360 -0.215 0.010 0.491 145 I N 0.853 121.383 120.570 -0.067 0.000 2.202 145 I HA -0.504 nan 4.170 nan 0.000 0.242 145 I C 1.526 177.658 176.117 0.025 0.000 1.091 145 I CA 4.061 65.345 61.300 -0.027 0.000 1.368 145 I CB -0.398 37.625 38.000 0.038 0.000 1.058 145 I HN -0.291 7.868 8.210 -0.086 0.000 0.410 146 R N -0.360 120.182 120.500 0.071 0.000 2.096 146 R HA -0.496 nan 4.340 nan 0.000 0.240 146 R C 2.210 178.659 176.300 0.249 0.000 1.139 146 R CA 3.953 60.154 56.100 0.168 0.000 0.952 146 R CB -0.234 30.128 30.300 0.103 0.000 0.854 146 R HN -0.097 8.117 8.270 0.016 0.065 0.436 147 H N -2.326 116.807 119.070 0.105 0.000 2.423 147 H HA -0.160 nan 4.556 nan 0.000 0.297 147 H C 2.467 177.857 175.328 0.103 0.000 1.075 147 H CA 2.604 58.705 56.048 0.089 0.000 1.342 147 H CB 0.028 29.827 29.762 0.062 0.000 1.395 147 H HN 0.069 8.333 8.280 -0.011 0.010 0.530 148 T N 2.668 117.327 114.554 0.175 0.000 2.746 148 T HA -0.307 nan 4.350 nan 0.000 0.267 148 T C 1.925 176.704 174.700 0.131 0.000 1.039 148 T CA 5.547 67.719 62.100 0.120 0.000 1.142 148 T CB -0.604 68.290 68.868 0.043 0.000 0.866 148 T HN 0.084 8.315 8.240 0.121 0.082 0.444 149 H N 1.228 120.445 119.070 0.244 0.000 2.462 149 H HA -0.164 nan 4.556 nan 0.000 0.292 149 H C 2.496 178.009 175.328 0.309 0.000 1.049 149 H CA 2.997 59.193 56.048 0.245 0.000 1.334 149 H CB -0.037 29.851 29.762 0.210 0.000 1.404 149 H HN -0.414 7.896 8.280 0.050 0.000 0.544 150 Q N 0.514 120.546 119.800 0.386 0.000 2.016 150 Q HA -0.326 nan 4.340 nan 0.000 0.200 150 Q C 2.366 178.604 176.000 0.396 0.000 0.978 150 Q CA 3.761 59.773 55.803 0.347 0.000 0.833 150 Q CB 0.118 29.001 28.738 0.241 0.000 0.895 150 Q HN -0.084 8.395 8.270 0.349 0.000 0.427 151 C N -0.682 118.826 119.300 0.347 0.000 2.429 151 C HA -0.325 nan 4.460 nan 0.000 0.277 151 C C 1.952 177.173 174.990 0.385 0.000 1.262 151 C CA 4.030 63.282 59.018 0.389 0.000 1.733 151 C CB -1.670 26.255 27.740 0.309 0.000 2.010 151 C HN -0.173 8.229 8.230 0.285 0.000 0.483 152 A N -0.464 122.563 122.820 0.346 0.000 1.908 152 A HA -0.320 nan 4.320 nan 0.000 0.218 152 A C 1.353 179.162 177.584 0.376 0.000 1.181 152 A CA 3.155 55.388 52.037 0.326 0.000 0.627 152 A CB -1.028 18.150 19.000 0.296 0.000 0.818 152 A HN 0.258 8.600 8.150 0.319 0.000 0.445 153 Y N -1.036 119.455 120.300 0.318 0.000 2.224 153 Y HA -0.459 nan 4.550 nan 0.000 0.289 153 Y C 2.029 178.189 175.900 0.433 0.000 1.146 153 Y CA 4.224 62.540 58.100 0.360 0.000 1.182 153 Y CB 0.183 38.869 38.460 0.378 0.000 0.983 153 Y HN -0.143 8.267 8.280 0.538 0.193 0.524 154 V N -0.817 119.389 119.914 0.486 0.000 2.343 154 V HA -0.602 nan 4.120 nan 0.000 0.247 154 V C 1.849 178.221 176.094 0.463 0.000 1.051 154 V CA 4.770 67.335 62.300 0.442 0.000 1.036 154 V CB -0.980 31.121 31.823 0.463 0.000 0.654 154 V HN -0.201 8.214 8.190 0.515 0.084 0.451 155 N N -0.011 118.942 118.700 0.422 0.000 2.188 155 N HA -0.353 nan 4.740 nan 0.000 0.184 155 N C 1.791 177.451 175.510 0.251 0.000 1.018 155 N CA 3.707 56.994 53.050 0.395 0.000 0.858 155 N CB 0.075 38.786 38.487 0.373 0.000 0.989 155 N HN -0.516 8.110 8.380 0.410 0.000 0.426 156 Y N 2.049 122.395 120.300 0.077 0.000 2.145 156 Y HA -0.505 nan 4.550 nan 0.000 0.286 156 Y C 1.402 177.220 175.900 -0.137 0.000 1.145 156 Y CA 4.108 62.172 58.100 -0.060 0.000 1.148 156 Y CB 0.169 38.529 38.460 -0.166 0.000 0.981 156 Y HN -0.003 8.427 8.280 0.361 0.066 0.507 157 Y N -0.232 119.923 120.300 -0.242 0.000 2.200 157 Y HA -0.493 nan 4.550 nan 0.000 0.290 157 Y C 1.618 177.308 175.900 -0.350 0.000 1.137 157 Y CA 4.128 62.020 58.100 -0.346 0.000 1.163 157 Y CB 0.174 38.477 38.460 -0.262 0.000 0.988 157 Y HN 0.186 8.546 8.280 0.132 0.000 0.518 158 F N -1.632 118.247 119.950 -0.118 0.000 2.186 158 F HA -0.437 nan 4.527 nan 0.000 0.299 158 F C 1.961 177.521 175.800 -0.399 0.000 1.090 158 F CA 4.027 61.815 58.000 -0.354 0.000 1.307 158 F CB -0.469 38.010 39.000 -0.870 0.000 1.019 158 F HN 0.022 8.401 8.300 0.132 0.000 0.489 159 A N -1.032 121.701 122.820 -0.145 0.000 1.877 159 A HA -0.288 nan 4.320 nan 0.000 0.216 159 A C 1.751 179.230 177.584 -0.174 0.000 1.186 159 A CA 2.871 54.861 52.037 -0.077 0.000 0.620 159 A CB -0.889 18.092 19.000 -0.032 0.000 0.822 159 A HN 0.194 8.173 8.150 -0.118 0.099 0.443 160 K N -2.049 118.146 120.400 -0.343 0.000 2.097 160 K HA -0.239 nan 4.320 nan 0.000 0.206 160 K C 1.560 177.957 176.600 -0.338 0.000 1.049 160 K CA 2.460 58.511 56.287 -0.394 0.000 0.933 160 K CB 0.389 32.525 32.500 -0.607 0.000 0.717 160 K HN -0.119 7.873 8.250 -0.431 0.000 0.442 161 N N -5.601 112.865 118.700 -0.390 0.000 2.159 161 N HA 0.110 nan 4.740 nan 0.000 0.217 161 N C -0.619 174.808 175.510 -0.138 0.000 1.223 161 N CA -0.214 52.643 53.050 -0.322 0.000 0.896 161 N CB 2.286 40.439 38.487 -0.557 0.000 1.064 161 N HN -0.042 8.080 8.380 -0.431 0.000 0.518 162 G N 0.025 108.800 108.800 -0.042 0.000 2.568 162 G HA2 0.260 nan 3.960 nan 0.000 0.293 162 G HA3 0.260 nan 3.960 nan 0.000 0.293 162 G C -0.811 174.136 174.900 0.079 0.000 1.347 162 G CA -0.762 44.397 45.100 0.099 0.000 1.039 162 G HN -0.331 7.917 8.290 -0.070 0.000 0.523 163 Q N -3.165 116.706 119.800 0.119 0.000 2.311 163 Q HA -0.207 nan 4.340 nan 0.000 0.203 163 Q C -0.011 176.036 176.000 0.080 0.000 0.954 163 Q CA 1.400 57.252 55.803 0.083 0.000 0.885 163 Q CB 0.575 29.362 28.738 0.082 0.000 0.963 163 Q HN 0.457 8.830 8.270 0.173 0.000 0.471 164 D N -1.732 118.737 120.400 0.115 0.000 2.375 164 D HA 0.484 nan 4.640 nan 0.000 0.241 164 D C -2.368 174.032 176.300 0.168 0.000 1.361 164 D CA -2.483 51.581 54.000 0.106 0.000 0.995 164 D CB 2.281 43.129 40.800 0.079 0.000 1.312 164 D HN -0.473 7.992 8.370 0.158 0.000 0.576 165 P HA 0.065 nan 4.420 nan 0.000 0.224 165 P C -1.360 176.032 177.300 0.154 0.000 1.157 165 P CA 0.191 63.378 63.100 0.145 0.000 0.799 165 P CB 0.489 32.224 31.700 0.057 0.000 0.809 166 A N -3.130 119.752 122.820 0.104 0.000 2.546 166 A HA -0.201 nan 4.320 nan 0.000 0.243 166 A C 0.488 178.135 177.584 0.106 0.000 1.063 166 A CA 1.239 53.327 52.037 0.085 0.000 0.757 166 A CB -0.232 18.803 19.000 0.057 0.000 0.991 166 A HN -0.759 7.603 8.150 0.086 -0.161 0.503 167 G N 4.101 112.979 108.800 0.129 0.000 2.640 167 G HA2 -0.475 nan 3.960 nan 0.000 0.226 167 G HA3 -0.475 nan 3.960 nan 0.000 0.226 167 G C 1.497 176.521 174.900 0.206 0.000 1.222 167 G CA 1.557 46.793 45.100 0.225 0.000 0.729 167 G HN 0.220 8.708 8.290 0.101 -0.138 0.516 168 H N 4.191 123.348 119.070 0.145 0.000 2.423 168 H HA -0.116 nan 4.556 nan 0.000 0.297 168 H C 1.354 176.743 175.328 0.101 0.000 1.075 168 H CA 3.323 59.447 56.048 0.127 0.000 1.342 168 H CB 0.183 30.014 29.762 0.115 0.000 1.395 168 H HN -0.318 7.992 8.280 0.179 0.078 0.530 169 N N -2.144 116.673 118.700 0.195 0.000 2.467 169 N HA -0.111 nan 4.740 nan 0.000 0.184 169 N C -0.205 175.339 175.510 0.058 0.000 1.106 169 N CA 1.149 54.264 53.050 0.109 0.000 0.892 169 N CB 0.588 39.116 38.487 0.069 0.000 0.969 169 N HN -0.024 8.472 8.380 0.204 0.007 0.454 170 D N -4.887 115.530 120.400 0.028 0.000 2.704 170 D HA 0.074 nan 4.640 nan 0.000 0.291 170 D C -0.108 176.110 176.300 -0.137 0.000 1.610 170 D CA -0.071 53.905 54.000 -0.040 0.000 0.807 170 D CB -0.933 39.846 40.800 -0.035 0.000 1.233 170 D HN -0.681 7.661 8.370 0.051 0.058 0.445 171 A N 0.600 123.315 122.820 -0.175 0.000 2.125 171 A HA -0.302 nan 4.320 nan 0.000 0.219 171 A C 1.660 178.945 177.584 -0.499 0.000 1.156 171 A CA 2.526 54.262 52.037 -0.501 0.000 0.671 171 A CB -0.571 18.168 19.000 -0.436 0.000 0.794 171 A HN -0.064 8.046 8.150 -0.066 0.000 0.459 172 R N -3.041 117.285 120.500 -0.289 0.000 2.237 172 R HA -0.239 nan 4.340 nan 0.000 0.219 172 R C 1.511 177.646 176.300 -0.276 0.000 1.080 172 R CA 2.551 58.484 56.100 -0.279 0.000 0.995 172 R CB -0.255 29.953 30.300 -0.153 0.000 0.875 172 R HN 0.238 8.372 8.270 -0.183 0.027 0.462 173 R N -3.675 116.681 120.500 -0.240 0.000 2.310 173 R HA 0.177 nan 4.340 nan 0.000 0.199 173 R C 1.709 177.895 176.300 -0.191 0.000 0.891 173 R CA 1.718 57.716 56.100 -0.170 0.000 1.060 173 R CB 0.727 30.984 30.300 -0.071 0.000 1.188 173 R HN -0.185 7.813 8.270 -0.229 0.135 0.607 174 T N -1.726 112.687 114.554 -0.236 0.000 3.035 174 T HA -0.038 nan 4.350 nan 0.000 0.268 174 T C 2.018 176.551 174.700 -0.278 0.000 1.109 174 T CA 2.878 64.867 62.100 -0.186 0.000 1.119 174 T CB -0.793 68.018 68.868 -0.095 0.000 0.900 174 T HN 0.285 8.375 8.240 -0.250 0.000 0.503 175 R N 1.894 122.013 120.500 -0.635 0.000 2.140 175 R HA -0.398 nan 4.340 nan 0.000 0.250 175 R C 1.779 177.897 176.300 -0.303 0.000 1.150 175 R CA 3.658 59.337 56.100 -0.703 0.000 0.966 175 R CB -0.167 29.464 30.300 -1.115 0.000 0.869 175 R HN -0.333 7.470 8.270 -0.738 0.024 0.445 176 T N -3.922 110.489 114.554 -0.238 0.000 3.072 176 T HA -0.116 nan 4.350 nan 0.000 0.266 176 T C 1.541 176.308 174.700 0.111 0.000 1.127 176 T CA 2.739 64.841 62.100 0.003 0.000 1.107 176 T CB -0.822 68.047 68.868 0.002 0.000 0.910 176 T HN -0.425 7.496 8.240 -0.271 0.157 0.513 177 I N -0.406 120.205 120.570 0.069 0.000 2.500 177 I HA -0.166 nan 4.170 nan 0.000 0.252 177 I C 0.853 177.066 176.117 0.159 0.000 1.142 177 I CA 1.552 62.904 61.300 0.087 0.000 1.451 177 I CB 0.044 38.039 38.000 -0.008 0.000 1.093 177 I HN -0.576 7.597 8.210 0.020 0.049 0.430 178 G N -2.396 106.522 108.800 0.197 0.000 2.461 178 G HA2 0.413 nan 3.960 nan 0.000 0.329 178 G HA3 0.413 nan 3.960 nan 0.000 0.329 178 G C -1.842 173.166 174.900 0.181 0.000 1.170 178 G CA -2.074 43.137 45.100 0.186 0.000 0.935 178 G HN -0.677 7.758 8.290 0.242 0.000 0.492 179 P HA 0.013 nan 4.420 nan 0.000 0.224 179 P C 1.053 178.441 177.300 0.146 0.000 1.157 179 P CA 1.536 64.659 63.100 0.038 0.000 0.799 179 P CB 0.359 32.026 31.700 -0.055 0.000 0.809 180 L N -3.527 117.859 121.223 0.271 0.000 2.201 180 L HA -0.211 nan 4.340 nan 0.000 0.212 180 L C 2.378 179.494 176.870 0.410 0.000 1.105 180 L CA 1.993 57.066 54.840 0.388 0.000 0.775 180 L CB -0.562 41.781 42.059 0.474 0.000 0.913 180 L HN -0.243 8.158 8.230 0.286 0.000 0.440 181 W N -0.574 120.833 121.300 0.178 0.000 2.358 181 W HA -0.422 nan 4.660 nan 0.000 0.303 181 W C 0.734 177.089 176.519 -0.273 0.000 1.208 181 W CA 2.909 60.156 57.345 -0.162 0.000 1.274 181 W CB 0.034 29.477 29.460 -0.029 0.000 1.138 181 W HN -0.556 7.948 8.180 0.569 0.018 0.515 182 K N -2.426 117.808 120.400 -0.276 0.000 2.074 182 K HA -0.377 nan 4.320 nan 0.000 0.209 182 K C 2.591 178.914 176.600 -0.463 0.000 1.048 182 K CA 3.145 59.186 56.287 -0.410 0.000 0.926 182 K CB -0.913 31.472 32.500 -0.191 0.000 0.713 182 K HN -0.604 7.646 8.250 0.000 0.000 0.444 183 G N -3.247 105.349 108.800 -0.340 0.000 2.422 183 G HA2 -0.235 nan 3.960 nan 0.000 0.218 183 G HA3 -0.235 nan 3.960 nan 0.000 0.218 183 G C 0.695 174.846 174.900 -1.249 0.000 1.146 183 G CA 2.011 46.810 45.100 -0.502 0.000 0.769 183 G HN -0.341 7.866 8.290 -0.138 0.000 0.547 184 M N 1.691 120.483 119.600 -1.347 0.000 2.086 184 M HA -0.248 nan 4.480 nan 0.000 0.261 184 M C 1.476 177.182 176.300 -0.989 0.000 1.067 184 M CA 1.775 56.288 55.300 -1.312 0.000 1.116 184 M CB -0.453 31.546 32.600 -1.001 0.000 1.348 184 M HN -0.457 7.211 8.290 -0.896 0.084 0.407 185 K N -1.661 118.084 120.400 -1.091 0.000 2.152 185 K HA -0.430 nan 4.320 nan 0.000 0.206 185 K C 2.304 178.571 176.600 -0.554 0.000 1.048 185 K CA 3.709 59.480 56.287 -0.860 0.000 0.933 185 K CB -0.555 31.387 32.500 -0.930 0.000 0.721 185 K HN 0.046 7.513 8.250 -1.305 0.000 0.447 186 R N -0.818 119.369 120.500 -0.522 0.000 2.062 186 R HA -0.145 nan 4.340 nan 0.000 0.229 186 R C 2.385 178.493 176.300 -0.321 0.000 1.128 186 R CA 3.083 58.987 56.100 -0.327 0.000 0.960 186 R CB -0.029 30.125 30.300 -0.245 0.000 0.855 186 R HN -0.554 7.223 8.270 -0.623 0.120 0.432 187 V N -4.482 115.158 119.914 -0.458 0.000 2.407 187 V HA -0.094 nan 4.120 nan 0.000 0.245 187 V C 1.763 177.707 176.094 -0.250 0.000 1.041 187 V CA 3.592 65.709 62.300 -0.306 0.000 1.040 187 V CB -0.429 31.107 31.823 -0.479 0.000 0.671 187 V HN -0.426 7.361 8.190 -0.672 0.000 0.455 188 F N -3.507 115.991 119.950 -0.752 0.000 2.653 188 F HA 0.416 nan 4.527 nan 0.000 0.304 188 F C -0.323 174.915 175.800 -0.937 0.000 1.092 188 F CA -1.530 55.776 58.000 -1.156 0.000 1.279 188 F CB 0.349 39.045 39.000 -0.507 0.000 1.044 188 F HN 0.220 8.277 8.300 -0.404 0.000 0.564 189 S N -0.372 115.049 115.700 -0.465 0.000 3.393 189 S HA 0.128 nan 4.470 nan 0.000 0.209 189 S C 1.932 176.433 174.600 -0.165 0.000 0.897 189 S CA 1.677 59.729 58.200 -0.247 0.000 0.825 189 S CB 1.422 64.499 63.200 -0.204 0.000 0.898 189 S HN -0.510 7.536 8.310 -0.440 0.000 0.615 190 D N 3.148 123.443 120.400 -0.175 0.000 2.117 190 D HA -0.126 nan 4.640 nan 0.000 0.198 190 D C 2.125 178.402 176.300 -0.040 0.000 0.982 190 D CA 3.501 57.443 54.000 -0.096 0.000 0.828 190 D CB 0.088 40.823 40.800 -0.109 0.000 0.967 190 D HN 0.299 8.524 8.370 -0.241 0.000 0.464 191 G N -1.935 106.835 108.800 -0.051 0.000 2.509 191 G HA2 -0.178 nan 3.960 nan 0.000 0.218 191 G HA3 -0.178 nan 3.960 nan 0.000 0.218 191 G C 0.356 175.384 174.900 0.213 0.000 1.124 191 G CA 1.256 46.395 45.100 0.066 0.000 0.776 191 G HN 0.036 8.246 8.290 -0.133 0.000 0.547 192 F N -2.302 117.627 119.950 -0.035 0.000 2.512 192 F HA -0.046 nan 4.527 nan 0.000 0.296 192 F C 0.343 176.079 175.800 -0.107 0.000 1.110 192 F CA -0.408 57.545 58.000 -0.077 0.000 1.446 192 F CB 0.816 39.746 39.000 -0.115 0.000 1.092 192 F HN -0.790 7.420 8.300 0.071 0.133 0.554 193 I N -9.703 110.914 120.570 0.078 0.000 4.655 193 I HA 0.171 nan 4.170 nan 0.000 0.333 193 I C -0.293 175.788 176.117 -0.060 0.000 1.312 193 I CA -0.367 60.912 61.300 -0.035 0.000 1.270 193 I CB 2.726 40.701 38.000 -0.042 0.000 1.318 193 I HN -0.756 7.392 8.210 0.077 0.108 0.456 194 S N 2.933 118.616 115.700 -0.028 0.000 2.448 194 S HA 0.136 nan 4.470 nan 0.000 0.320 194 S C -0.834 173.750 174.600 -0.027 0.000 1.071 194 S CA 0.022 58.200 58.200 -0.037 0.000 1.113 194 S CB 0.545 63.718 63.200 -0.046 0.000 0.972 194 S HN -0.177 8.131 8.310 -0.003 0.000 0.465 195 G N 3.998 112.783 108.800 -0.026 0.000 3.373 195 G HA2 -0.265 nan 3.960 nan 0.000 0.685 195 G HA3 -0.265 nan 3.960 nan 0.000 0.685 195 G C -2.253 172.649 174.900 0.005 0.000 1.166 195 G CA -0.563 44.531 45.100 -0.010 0.000 1.063 195 G HN 0.168 8.439 8.290 -0.032 0.000 0.481 196 D N 1.522 121.929 120.400 0.012 0.000 6.709 196 D HA -0.447 nan 4.640 nan 0.000 0.225 196 D C 0.390 176.687 176.300 -0.005 0.000 1.662 196 D CA 1.234 55.252 54.000 0.031 0.000 1.553 196 D CB 0.646 41.497 40.800 0.084 0.000 0.972 196 D HN -0.108 8.268 8.370 0.010 0.000 0.579 197 A N 5.963 128.762 122.820 -0.036 0.000 1.948 197 A HA -0.367 nan 4.320 nan 0.000 0.220 197 A C 1.541 179.056 177.584 -0.114 0.000 1.177 197 A CA 3.188 55.156 52.037 -0.115 0.000 0.636 197 A CB 0.014 18.937 19.000 -0.128 0.000 0.815 197 A HN 0.689 8.838 8.150 -0.001 0.000 0.449 198 V N -1.265 118.592 119.914 -0.095 0.000 2.453 198 V HA -0.433 nan 4.120 nan 0.000 0.247 198 V C 1.584 177.620 176.094 -0.096 0.000 1.048 198 V CA 4.621 66.804 62.300 -0.195 0.000 1.049 198 V CB -0.770 30.716 31.823 -0.561 0.000 0.672 198 V HN -0.007 8.441 8.190 -0.030 -0.275 0.457 199 E N 0.158 120.357 120.200 -0.002 0.000 2.077 199 E HA -0.400 nan 4.350 nan 0.000 0.193 199 E C 1.876 178.507 176.600 0.052 0.000 0.989 199 E CA 3.522 59.959 56.400 0.061 0.000 0.800 199 E CB -0.149 29.608 29.700 0.093 0.000 0.746 199 E HN -0.386 7.904 8.360 0.024 0.085 0.452 200 C N -0.373 118.932 119.300 0.007 0.000 2.413 200 C HA -0.304 nan 4.460 nan 0.000 0.276 200 C C 2.322 177.279 174.990 -0.056 0.000 1.236 200 C CA 4.249 63.263 59.018 -0.008 0.000 1.735 200 C CB -2.042 25.654 27.740 -0.073 0.000 2.031 200 C HN 0.167 8.392 8.230 -0.008 0.000 0.474 201 S N -0.114 115.525 115.700 -0.103 0.000 2.370 201 S HA -0.320 nan 4.470 nan 0.000 0.226 201 S C 1.778 176.369 174.600 -0.015 0.000 1.033 201 S CA 3.699 61.833 58.200 -0.110 0.000 1.011 201 S CB -0.375 62.753 63.200 -0.119 0.000 0.852 201 S HN -0.019 8.118 8.310 -0.111 0.106 0.457 202 L N 0.938 122.185 121.223 0.040 0.000 2.017 202 L HA -0.494 nan 4.340 nan 0.000 0.208 202 L C 1.939 178.914 176.870 0.174 0.000 1.073 202 L CA 3.331 58.253 54.840 0.136 0.000 0.745 202 L CB -0.548 41.605 42.059 0.156 0.000 0.894 202 L HN 0.373 8.609 8.230 0.010 0.000 0.432 203 N N -0.931 117.870 118.700 0.169 0.000 2.120 203 N HA -0.307 nan 4.740 nan 0.000 0.188 203 N C 2.722 178.363 175.510 0.218 0.000 1.024 203 N CA 3.334 56.535 53.050 0.251 0.000 0.852 203 N CB -0.003 38.672 38.487 0.312 0.000 1.003 203 N HN -0.136 8.329 8.380 0.141 0.000 0.424 204 L N 0.160 121.329 121.223 -0.091 0.000 1.993 204 L HA -0.311 nan 4.340 nan 0.000 0.206 204 L C 1.565 178.284 176.870 -0.252 0.000 1.074 204 L CA 3.934 58.425 54.840 -0.581 0.000 0.746 204 L CB -0.019 41.516 42.059 -0.875 0.000 0.896 204 L HN 0.489 8.669 8.230 -0.084 0.000 0.435 205 Q N -2.371 117.352 119.800 -0.129 0.000 2.084 205 Q HA -0.184 nan 4.340 nan 0.000 0.194 205 Q C 2.828 178.883 176.000 0.092 0.000 0.969 205 Q CA 3.253 59.047 55.803 -0.015 0.000 0.829 205 Q CB 0.259 29.019 28.738 0.037 0.000 0.904 205 Q HN 0.187 8.279 8.270 -0.124 0.104 0.464 206 L N -1.276 120.072 121.223 0.209 0.000 2.217 206 L HA -0.126 nan 4.340 nan 0.000 0.211 206 L C 1.406 178.541 176.870 0.443 0.000 1.107 206 L CA 2.641 57.732 54.840 0.417 0.000 0.783 206 L CB -0.037 42.291 42.059 0.449 0.000 0.919 206 L HN -0.543 7.788 8.230 0.168 0.000 0.442 207 V N -2.956 117.123 119.914 0.275 0.000 2.939 207 V HA 0.121 nan 4.120 nan 0.000 0.228 207 V C 1.871 177.998 176.094 0.055 0.000 1.162 207 V CA 3.225 65.590 62.300 0.109 0.000 1.222 207 V CB 0.124 32.074 31.823 0.212 0.000 1.053 207 V HN 0.270 8.600 8.190 0.234 0.000 0.504 208 G N 0.313 109.257 108.800 0.239 0.000 2.631 208 G HA2 -0.427 nan 3.960 nan 0.000 0.219 208 G HA3 -0.427 nan 3.960 nan 0.000 0.219 208 G C 1.179 176.203 174.900 0.206 0.000 1.214 208 G CA 2.835 48.174 45.100 0.398 0.000 0.785 208 G HN 0.152 8.492 8.290 0.256 0.104 0.596 209 E N 2.169 122.384 120.200 0.025 0.000 2.033 209 E HA -0.223 nan 4.350 nan 0.000 0.189 209 E C 2.558 179.045 176.600 -0.188 0.000 0.979 209 E CA 2.699 59.065 56.400 -0.057 0.000 0.802 209 E CB 0.049 29.713 29.700 -0.059 0.000 0.763 209 E HN 0.201 8.458 8.360 -0.006 0.100 0.449 210 A N -1.217 121.422 122.820 -0.302 0.000 1.972 210 A HA -0.209 nan 4.320 nan 0.000 0.219 210 A C 1.457 178.764 177.584 -0.463 0.000 1.169 210 A CA 2.780 54.472 52.037 -0.576 0.000 0.635 210 A CB -0.348 17.979 19.000 -1.120 0.000 0.810 210 A HN -0.314 7.702 8.150 -0.224 0.000 0.446 211 C N -4.109 114.856 119.300 -0.558 0.000 2.520 211 C HA 0.173 nan 4.460 nan 0.000 0.291 211 C C 0.692 175.196 174.990 -0.811 0.000 1.364 211 C CA 1.216 59.702 59.018 -0.887 0.000 1.781 211 C CB 0.576 27.320 27.740 -1.659 0.000 2.171 211 C HN -0.032 7.803 8.230 -0.453 0.123 0.516 212 F N -2.822 116.967 119.950 -0.269 0.000 2.480 212 F HA 0.126 nan 4.527 nan 0.000 0.280 212 F C 1.605 177.239 175.800 -0.276 0.000 1.002 212 F CA 2.155 60.013 58.000 -0.236 0.000 1.325 212 F CB 1.172 40.016 39.000 -0.261 0.000 1.134 212 F HN -0.639 7.545 8.300 -0.194 0.000 0.646 213 T N 2.567 117.133 114.554 0.021 0.000 2.737 213 T HA -0.356 nan 4.350 nan 0.000 0.265 213 T C 1.756 176.390 174.700 -0.110 0.000 1.038 213 T CA 5.149 67.254 62.100 0.008 0.000 1.144 213 T CB -0.461 68.470 68.868 0.104 0.000 0.866 213 T HN 0.544 8.736 8.240 0.111 0.114 0.434 214 N N 0.653 119.250 118.700 -0.172 0.000 2.142 214 N HA 0.011 nan 4.740 nan 0.000 0.186 214 N C -0.550 174.802 175.510 -0.263 0.000 1.023 214 N CA 4.050 56.985 53.050 -0.192 0.000 0.852 214 N CB -0.878 37.494 38.487 -0.192 0.000 0.998 214 N HN -0.290 7.984 8.380 -0.178 0.000 0.424 215 P HA -0.239 nan 4.420 nan 0.000 0.215 215 P C 1.260 178.248 177.300 -0.520 0.000 1.153 215 P CA 2.277 64.933 63.100 -0.739 0.000 0.853 215 P CB -0.218 30.485 31.700 -1.663 0.000 0.788 216 L N -1.974 118.995 121.223 -0.424 0.000 2.042 216 L HA -0.351 nan 4.340 nan 0.000 0.210 216 L C 1.725 178.747 176.870 0.252 0.000 1.076 216 L CA 3.358 58.263 54.840 0.109 0.000 0.749 216 L CB -0.202 41.934 42.059 0.128 0.000 0.893 216 L HN -0.297 7.620 8.230 -0.521 0.000 0.432 217 I N -2.403 118.239 120.570 0.119 0.000 2.315 217 I HA -0.509 nan 4.170 nan 0.000 0.248 217 I C 1.787 178.071 176.117 0.279 0.000 1.117 217 I CA 4.396 65.822 61.300 0.211 0.000 1.404 217 I CB -0.229 37.773 38.000 0.004 0.000 1.071 217 I HN 0.034 8.240 8.210 -0.008 0.000 0.419 218 V N -0.975 119.042 119.914 0.171 0.000 2.591 218 V HA -0.314 nan 4.120 nan 0.000 0.249 218 V C 1.433 177.673 176.094 0.244 0.000 1.053 218 V CA 3.187 65.589 62.300 0.171 0.000 1.068 218 V CB -1.309 30.570 31.823 0.093 0.000 0.689 218 V HN -0.641 7.602 8.190 0.088 0.000 0.462 219 A N -0.119 122.905 122.820 0.339 0.000 1.898 219 A HA -0.240 nan 4.320 nan 0.000 0.216 219 A C 1.713 179.586 177.584 0.481 0.000 1.181 219 A CA 3.568 55.870 52.037 0.442 0.000 0.620 219 A CB -0.709 18.709 19.000 0.697 0.000 0.819 219 A HN -0.272 7.985 8.150 0.310 0.079 0.442 220 V N -2.247 118.012 119.914 0.576 0.000 2.380 220 V HA -0.525 nan 4.120 nan 0.000 0.251 220 V C 1.971 178.313 176.094 0.413 0.000 1.063 220 V CA 4.683 67.356 62.300 0.621 0.000 1.055 220 V CB -1.239 30.957 31.823 0.622 0.000 0.657 220 V HN 0.623 9.167 8.190 0.590 0.000 0.455 221 T N -2.934 111.796 114.554 0.293 0.000 2.951 221 T HA -0.283 nan 4.350 nan 0.000 0.268 221 T C 1.949 176.689 174.700 0.068 0.000 1.073 221 T CA 4.004 66.198 62.100 0.157 0.000 1.134 221 T CB -0.594 68.357 68.868 0.138 0.000 0.884 221 T HN -0.358 7.968 8.240 0.321 0.106 0.479 222 E N 3.016 123.265 120.200 0.081 0.000 2.072 222 E HA -0.164 nan 4.350 nan 0.000 0.190 222 E C 1.665 178.138 176.600 -0.212 0.000 0.982 222 E CA 3.095 59.456 56.400 -0.065 0.000 0.803 222 E CB -0.336 29.334 29.700 -0.050 0.000 0.755 222 E HN -0.382 7.979 8.360 0.169 0.100 0.453 223 W N -0.767 120.357 121.300 -0.293 0.000 2.402 223 W HA -0.194 nan 4.660 nan 0.000 0.286 223 W C 1.989 177.942 176.519 -0.944 0.000 1.221 223 W CA 3.611 60.624 57.345 -0.554 0.000 1.257 223 W CB -0.439 28.725 29.460 -0.493 0.000 1.120 223 W HN -0.044 8.333 8.180 0.327 0.000 0.551 224 A N -0.872 121.661 122.820 -0.477 0.000 1.865 224 A HA -0.391 nan 4.320 nan 0.000 0.217 224 A C 1.898 179.274 177.584 -0.348 0.000 1.191 224 A CA 3.105 54.859 52.037 -0.472 0.000 0.623 224 A CB -1.245 17.817 19.000 0.103 0.000 0.826 224 A HN 0.440 8.543 8.150 -0.077 0.000 0.444 225 A N -2.539 120.154 122.820 -0.212 0.000 1.930 225 A HA -0.225 nan 4.320 nan 0.000 0.217 225 A C 2.400 179.838 177.584 -0.243 0.000 1.175 225 A CA 2.523 54.455 52.037 -0.175 0.000 0.627 225 A CB -0.667 18.253 19.000 -0.133 0.000 0.815 225 A HN -0.128 7.928 8.150 -0.157 0.000 0.443 226 A N -0.315 122.309 122.820 -0.327 0.000 1.902 226 A HA -0.246 nan 4.320 nan 0.000 0.217 226 A C 1.471 178.882 177.584 -0.289 0.000 1.181 226 A CA 2.644 54.460 52.037 -0.369 0.000 0.623 226 A CB -0.193 18.554 19.000 -0.423 0.000 0.818 226 A HN -0.171 7.768 8.150 -0.352 0.000 0.443 227 N N -2.988 115.550 118.700 -0.270 0.000 2.434 227 N HA 0.047 nan 4.740 nan 0.000 0.196 227 N C -0.704 174.816 175.510 0.016 0.000 1.183 227 N CA 0.517 53.520 53.050 -0.079 0.000 0.849 227 N CB 0.134 38.457 38.487 -0.273 0.000 0.992 227 N HN -0.324 7.786 8.380 -0.450 0.000 0.460 228 G N -2.648 106.125 108.800 -0.046 0.000 2.175 228 G HA2 -0.501 nan 3.960 nan 0.000 0.244 228 G HA3 -0.501 nan 3.960 nan 0.000 0.244 228 G C -1.326 173.623 174.900 0.081 0.000 0.982 228 G CA 0.028 45.146 45.100 0.030 0.000 0.641 228 G HN -0.452 7.565 8.290 -0.138 0.190 0.527 229 D N 1.527 121.977 120.400 0.083 0.000 2.280 229 D HA 0.074 nan 4.640 nan 0.000 0.243 229 D C -0.614 175.750 176.300 0.107 0.000 1.129 229 D CA -0.463 53.663 54.000 0.210 0.000 0.848 229 D CB 0.600 41.640 40.800 0.400 0.000 1.107 229 D HN -0.178 8.121 8.370 -0.034 0.051 0.471 230 E N 3.276 123.523 120.200 0.078 0.000 2.526 230 E HA 0.155 nan 4.350 nan 0.000 0.208 230 E C 0.727 177.311 176.600 -0.028 0.000 0.997 230 E CA -0.473 55.934 56.400 0.012 0.000 0.961 230 E CB 0.832 30.526 29.700 -0.008 0.000 1.030 230 E HN 0.368 8.784 8.360 0.093 0.000 0.483 231 I N 1.271 121.816 120.570 -0.041 0.000 2.235 231 I HA -0.390 nan 4.170 nan 0.000 0.241 231 I C 1.271 177.367 176.117 -0.035 0.000 1.085 231 I CA 4.592 65.801 61.300 -0.152 0.000 1.378 231 I CB 0.016 37.790 38.000 -0.377 0.000 1.076 231 I HN -0.443 7.916 8.210 0.029 -0.131 0.415 232 T N 1.725 116.320 114.554 0.067 0.000 2.746 232 T HA -0.072 nan 4.350 nan 0.000 0.267 232 T C -0.999 173.655 174.700 -0.078 0.000 1.039 232 T CA 6.428 68.481 62.100 -0.078 0.000 1.142 232 T CB -2.621 66.201 68.868 -0.077 0.000 0.866 232 T HN -0.188 8.492 8.240 0.198 -0.321 0.444 233 P HA -0.229 nan 4.420 nan 0.000 0.216 233 P C 1.665 178.985 177.300 0.034 0.000 1.153 233 P CA 3.579 66.698 63.100 0.032 0.000 0.858 233 P CB -0.440 31.268 31.700 0.014 0.000 0.789 234 T N 0.477 115.029 114.554 -0.004 0.000 2.746 234 T HA -0.273 nan 4.350 nan 0.000 0.267 234 T C 1.993 176.689 174.700 -0.008 0.000 1.039 234 T CA 4.768 66.850 62.100 -0.030 0.000 1.142 234 T CB -0.251 68.569 68.868 -0.081 0.000 0.866 234 T HN -0.629 7.598 8.240 -0.022 0.000 0.444 235 V N 1.520 121.466 119.914 0.054 0.000 2.331 235 V HA -0.215 nan 4.120 nan 0.000 0.242 235 V C 1.730 177.990 176.094 0.277 0.000 1.034 235 V CA 4.405 66.787 62.300 0.136 0.000 1.027 235 V CB -0.628 31.336 31.823 0.235 0.000 0.667 235 V HN -0.413 7.805 8.190 0.047 0.000 0.457 236 F N -1.231 118.735 119.950 0.027 0.000 2.293 236 F HA -0.204 nan 4.527 nan 0.000 0.300 236 F C 2.153 177.946 175.800 -0.011 0.000 1.086 236 F CA 1.591 59.602 58.000 0.018 0.000 1.375 236 F CB -0.864 38.185 39.000 0.082 0.000 1.045 236 F HN 0.083 8.663 8.300 0.467 0.000 0.516 237 L N -3.128 118.200 121.223 0.174 0.000 2.217 237 L HA -0.332 nan 4.340 nan 0.000 0.211 237 L C 1.568 178.449 176.870 0.019 0.000 1.107 237 L CA 2.781 57.665 54.840 0.074 0.000 0.783 237 L CB -0.513 41.577 42.059 0.052 0.000 0.919 237 L HN -0.332 8.005 8.230 0.179 0.000 0.442 238 S N -0.413 115.291 115.700 0.006 0.000 2.446 238 S HA -0.201 nan 4.470 nan 0.000 0.225 238 S C 2.574 177.155 174.600 -0.031 0.000 1.016 238 S CA 2.986 61.170 58.200 -0.026 0.000 0.943 238 S CB -0.180 62.988 63.200 -0.054 0.000 0.786 238 S HN -0.536 7.693 8.310 0.027 0.098 0.508 239 I N 3.841 124.367 120.570 -0.072 0.000 2.264 239 I HA -0.420 nan 4.170 nan 0.000 0.248 239 I C 1.678 177.674 176.117 -0.202 0.000 1.111 239 I CA 3.966 65.118 61.300 -0.247 0.000 1.382 239 I CB -0.425 37.263 38.000 -0.520 0.000 1.060 239 I HN 0.159 8.349 8.210 -0.033 0.000 0.418 240 E N -0.808 119.314 120.200 -0.130 0.000 2.204 240 E HA -0.228 nan 4.350 nan 0.000 0.194 240 E C 2.154 178.693 176.600 -0.102 0.000 0.989 240 E CA 3.088 59.422 56.400 -0.111 0.000 0.824 240 E CB -0.106 29.563 29.700 -0.052 0.000 0.756 240 E HN -0.181 8.115 8.360 -0.084 0.013 0.477 241 T N -3.965 110.543 114.554 -0.077 0.000 3.007 241 T HA -0.101 nan 4.350 nan 0.000 0.270 241 T C 1.982 176.608 174.700 -0.124 0.000 1.107 241 T CA 2.667 64.719 62.100 -0.082 0.000 1.118 241 T CB -0.569 68.263 68.868 -0.060 0.000 0.889 241 T HN -0.462 7.601 8.240 -0.060 0.141 0.506 242 D N 1.194 121.519 120.400 -0.127 0.000 2.305 242 D HA 0.047 nan 4.640 nan 0.000 0.206 242 D C 1.105 177.114 176.300 -0.484 0.000 0.974 242 D CA 2.436 56.307 54.000 -0.213 0.000 0.871 242 D CB -0.405 40.368 40.800 -0.046 0.000 0.947 242 D HN -0.377 7.910 8.370 -0.075 0.038 0.516 243 E N 0.716 120.676 120.200 -0.399 0.000 2.204 243 E HA -0.199 nan 4.350 nan 0.000 0.194 243 E C 1.841 178.273 176.600 -0.280 0.000 0.989 243 E CA 2.115 58.245 56.400 -0.451 0.000 0.824 243 E CB -0.379 29.182 29.700 -0.232 0.000 0.756 243 E HN -0.628 7.464 8.360 -0.251 0.118 0.477 244 L N -1.650 119.455 121.223 -0.196 0.000 2.046 244 L HA -0.348 nan 4.340 nan 0.000 0.208 244 L C 1.988 178.827 176.870 -0.053 0.000 1.077 244 L CA 3.400 58.200 54.840 -0.067 0.000 0.747 244 L CB -0.661 41.388 42.059 -0.018 0.000 0.896 244 L HN -0.023 8.052 8.230 -0.212 0.028 0.432 245 R N -2.895 117.431 120.500 -0.289 0.000 2.127 245 R HA -0.415 nan 4.340 nan 0.000 0.238 245 R C 2.561 178.938 176.300 0.128 0.000 1.134 245 R CA 3.321 59.246 56.100 -0.292 0.000 0.975 245 R CB -0.470 29.566 30.300 -0.441 0.000 0.865 245 R HN -0.202 7.829 8.270 -0.397 0.000 0.447 246 H N -1.238 117.817 119.070 -0.024 0.000 2.436 246 H HA -0.110 nan 4.556 nan 0.000 0.294 246 H C 2.180 177.553 175.328 0.075 0.000 1.048 246 H CA 1.530 57.589 56.048 0.019 0.000 1.353 246 H CB 0.120 29.870 29.762 -0.018 0.000 1.414 246 H HN -0.357 7.708 8.280 -0.073 0.171 0.536 247 M N -0.408 119.313 119.600 0.201 0.000 2.200 247 M HA -0.346 nan 4.480 nan 0.000 0.265 247 M C 1.503 178.050 176.300 0.411 0.000 1.066 247 M CA 3.369 58.811 55.300 0.237 0.000 1.127 247 M CB 0.137 32.815 32.600 0.129 0.000 1.379 247 M HN -0.329 7.934 8.290 0.134 0.108 0.420 248 A N -1.079 121.941 122.820 0.334 0.000 1.940 248 A HA -0.404 nan 4.320 nan 0.000 0.219 248 A C 1.614 179.370 177.584 0.286 0.000 1.176 248 A CA 3.363 55.587 52.037 0.312 0.000 0.631 248 A CB -1.149 18.082 19.000 0.385 0.000 0.814 248 A HN 0.417 8.742 8.150 0.292 0.000 0.446 249 N N -1.612 117.239 118.700 0.251 0.000 2.166 249 N HA -0.333 nan 4.740 nan 0.000 0.186 249 N C 2.131 177.799 175.510 0.264 0.000 1.019 249 N CA 3.291 56.464 53.050 0.205 0.000 0.856 249 N CB -0.286 38.350 38.487 0.248 0.000 0.993 249 N HN -0.315 8.130 8.380 0.256 0.089 0.426 250 G N 0.011 108.991 108.800 0.300 0.000 2.421 250 G HA2 -0.287 nan 3.960 nan 0.000 0.216 250 G HA3 -0.287 nan 3.960 nan 0.000 0.216 250 G C 0.882 175.948 174.900 0.277 0.000 1.171 250 G CA 1.633 46.913 45.100 0.300 0.000 0.775 250 G HN -0.679 7.710 8.290 0.309 0.087 0.543 251 Y N 2.839 123.259 120.300 0.199 0.000 2.128 251 Y HA -0.446 nan 4.550 nan 0.000 0.284 251 Y C 1.998 177.853 175.900 -0.074 0.000 1.154 251 Y CA 3.995 62.104 58.100 0.015 0.000 1.149 251 Y CB 0.292 38.750 38.460 -0.002 0.000 0.976 251 Y HN -0.092 8.513 8.280 0.542 0.000 0.505 252 Q N -2.803 117.078 119.800 0.136 0.000 2.167 252 Q HA -0.303 nan 4.340 nan 0.000 0.202 252 Q C 2.891 178.848 176.000 -0.072 0.000 0.970 252 Q CA 2.548 58.345 55.803 -0.011 0.000 0.855 252 Q CB -0.717 28.014 28.738 -0.011 0.000 0.911 252 Q HN 0.130 8.546 8.270 0.244 0.000 0.438 253 T N 3.910 118.476 114.554 0.021 0.000 2.665 253 T HA -0.292 nan 4.350 nan 0.000 0.268 253 T C 2.614 177.241 174.700 -0.121 0.000 1.035 253 T CA 4.918 67.031 62.100 0.023 0.000 1.151 253 T CB -0.459 68.452 68.868 0.072 0.000 0.862 253 T HN 0.285 8.585 8.240 0.101 0.000 0.438 254 V N 1.905 121.690 119.914 -0.215 0.000 2.427 254 V HA -0.281 nan 4.120 nan 0.000 0.248 254 V C 1.422 177.230 176.094 -0.477 0.000 1.051 254 V CA 4.251 66.356 62.300 -0.324 0.000 1.048 254 V CB -0.734 30.868 31.823 -0.368 0.000 0.666 254 V HN -0.346 7.650 8.190 -0.188 0.081 0.456 255 V N -1.009 118.527 119.914 -0.630 0.000 2.407 255 V HA -0.374 nan 4.120 nan 0.000 0.248 255 V C 2.577 178.500 176.094 -0.286 0.000 1.055 255 V CA 4.006 65.925 62.300 -0.635 0.000 1.049 255 V CB -1.054 30.473 31.823 -0.493 0.000 0.662 255 V HN -0.113 7.649 8.190 -0.597 0.070 0.455 256 S N 0.045 115.633 115.700 -0.187 0.000 2.447 256 S HA -0.204 nan 4.470 nan 0.000 0.233 256 S C 1.368 175.937 174.600 -0.051 0.000 1.006 256 S CA 3.780 61.926 58.200 -0.089 0.000 0.957 256 S CB -0.195 62.977 63.200 -0.048 0.000 0.773 256 S HN 0.451 8.634 8.310 -0.198 0.008 0.507 257 I N -5.510 115.020 120.570 -0.067 0.000 4.082 257 I HA 0.403 nan 4.170 nan 0.000 0.337 257 I C 0.870 177.011 176.117 0.040 0.000 1.352 257 I CA -0.064 61.246 61.300 0.016 0.000 1.097 257 I CB -0.170 37.844 38.000 0.023 0.000 1.048 257 I HN -0.588 7.403 8.210 -0.128 0.142 0.393 258 A N 2.330 125.137 122.820 -0.022 0.000 2.015 258 A HA -0.253 nan 4.320 nan 0.000 0.219 258 A C 1.031 178.653 177.584 0.062 0.000 1.163 258 A CA 2.839 54.893 52.037 0.029 0.000 0.646 258 A CB -0.945 18.069 19.000 0.022 0.000 0.806 258 A HN -0.082 8.011 8.150 -0.095 0.000 0.448 259 N N -4.623 114.104 118.700 0.045 0.000 2.336 259 N HA 0.083 nan 4.740 nan 0.000 0.189 259 N C -0.977 174.559 175.510 0.044 0.000 1.113 259 N CA -0.402 52.674 53.050 0.044 0.000 0.858 259 N CB 0.626 39.133 38.487 0.033 0.000 0.970 259 N HN 0.053 8.423 8.380 0.027 0.025 0.471 260 D N 1.640 122.076 120.400 0.061 0.000 2.308 260 D HA 0.282 nan 4.640 nan 0.000 0.251 260 D C -0.080 176.255 176.300 0.058 0.000 1.127 260 D CA -3.032 51.006 54.000 0.064 0.000 0.876 260 D CB 1.985 42.844 40.800 0.098 0.000 1.176 260 D HN -0.755 7.496 8.370 0.073 0.163 0.446 261 P HA -0.187 nan 4.420 nan 0.000 0.220 261 P C 0.466 177.759 177.300 -0.011 0.000 1.144 261 P CA 1.717 64.820 63.100 0.005 0.000 0.800 261 P CB -0.011 31.685 31.700 -0.008 0.000 0.772 262 A N -1.734 121.097 122.820 0.017 0.000 2.024 262 A HA -0.247 nan 4.320 nan 0.000 0.220 262 A C 1.941 179.550 177.584 0.042 0.000 1.164 262 A CA 2.746 54.792 52.037 0.016 0.000 0.643 262 A CB -0.805 18.208 19.000 0.022 0.000 0.806 262 A HN -0.325 8.098 8.150 0.036 -0.251 0.451 263 S N -1.005 114.779 115.700 0.141 0.000 2.402 263 S HA -0.335 nan 4.470 nan 0.000 0.229 263 S C 1.937 176.602 174.600 0.109 0.000 1.021 263 S CA 3.031 61.372 58.200 0.234 0.000 0.974 263 S CB -0.191 63.139 63.200 0.216 0.000 0.800 263 S HN -0.141 8.232 8.310 0.135 0.018 0.484 264 A N 0.192 123.023 122.820 0.019 0.000 2.015 264 A HA -0.101 nan 4.320 nan 0.000 0.219 264 A C 0.885 178.417 177.584 -0.086 0.000 1.163 264 A CA 2.526 54.551 52.037 -0.020 0.000 0.646 264 A CB -0.441 18.537 19.000 -0.037 0.000 0.806 264 A HN -0.344 7.787 8.150 0.009 0.024 0.448 265 K N -3.805 116.463 120.400 -0.220 0.000 2.166 265 K HA -0.101 nan 4.320 nan 0.000 0.201 265 K C 1.174 177.568 176.600 -0.343 0.000 1.052 265 K CA 2.260 58.284 56.287 -0.439 0.000 0.969 265 K CB 1.005 32.937 32.500 -0.946 0.000 0.761 265 K HN -0.589 7.397 8.250 -0.217 0.133 0.459 266 Y N -5.862 114.450 120.300 0.021 0.000 2.526 266 Y HA 0.111 nan 4.550 nan 0.000 0.265 266 Y C 1.205 177.225 175.900 0.201 0.000 1.092 266 Y CA 0.374 58.508 58.100 0.057 0.000 1.277 266 Y CB 1.148 39.544 38.460 -0.107 0.000 1.228 266 Y HN -0.524 7.636 8.280 -0.053 0.089 0.507 267 L N 0.979 122.441 121.223 0.398 0.000 2.046 267 L HA -0.430 nan 4.340 nan 0.000 0.208 267 L C 1.163 178.170 176.870 0.227 0.000 1.077 267 L CA 3.527 58.578 54.840 0.352 0.000 0.747 267 L CB -0.195 42.020 42.059 0.259 0.000 0.896 267 L HN 0.045 8.355 8.230 0.303 0.102 0.432 268 N N -1.819 116.984 118.700 0.171 0.000 2.331 268 N HA -0.264 nan 4.740 nan 0.000 0.180 268 N C 1.869 177.477 175.510 0.163 0.000 1.019 268 N CA 3.343 56.476 53.050 0.138 0.000 0.881 268 N CB -0.277 38.265 38.487 0.092 0.000 0.972 268 N HN 0.386 8.859 8.380 0.155 0.000 0.435 269 T N 2.803 117.469 114.554 0.186 0.000 2.737 269 T HA -0.282 nan 4.350 nan 0.000 0.265 269 T C 1.872 176.701 174.700 0.214 0.000 1.038 269 T CA 4.982 67.199 62.100 0.195 0.000 1.144 269 T CB -0.622 68.368 68.868 0.203 0.000 0.866 269 T HN -0.073 8.281 8.240 0.189 0.000 0.434 270 D N 2.036 122.579 120.400 0.239 0.000 2.178 270 D HA -0.172 nan 4.640 nan 0.000 0.201 270 D C 2.145 178.578 176.300 0.223 0.000 0.980 270 D CA 3.464 57.599 54.000 0.225 0.000 0.842 270 D CB -0.526 40.414 40.800 0.234 0.000 0.948 270 D HN -0.282 8.252 8.370 0.273 0.000 0.472 271 L N -0.253 121.104 121.223 0.223 0.000 2.109 271 L HA -0.321 nan 4.340 nan 0.000 0.207 271 L C 1.399 178.452 176.870 0.306 0.000 1.086 271 L CA 3.161 58.157 54.840 0.259 0.000 0.760 271 L CB -0.149 42.045 42.059 0.225 0.000 0.910 271 L HN 0.154 8.503 8.230 0.212 0.008 0.437 272 N N -0.516 118.333 118.700 0.248 0.000 2.142 272 N HA -0.384 nan 4.740 nan 0.000 0.186 272 N C 1.960 177.645 175.510 0.291 0.000 1.023 272 N CA 3.578 56.775 53.050 0.245 0.000 0.852 272 N CB -0.071 38.496 38.487 0.133 0.000 0.998 272 N HN 0.187 8.694 8.380 0.211 0.000 0.424 273 N N 0.637 119.493 118.700 0.261 0.000 2.142 273 N HA -0.318 nan 4.740 nan 0.000 0.186 273 N C 1.842 177.525 175.510 0.287 0.000 1.023 273 N CA 3.144 56.357 53.050 0.272 0.000 0.852 273 N CB 0.135 38.766 38.487 0.239 0.000 0.998 273 N HN -0.179 8.337 8.380 0.240 0.008 0.424 274 A N 0.574 123.563 122.820 0.281 0.000 1.902 274 A HA -0.243 nan 4.320 nan 0.000 0.217 274 A C 1.637 179.384 177.584 0.271 0.000 1.181 274 A CA 3.014 55.211 52.037 0.267 0.000 0.623 274 A CB -0.710 18.453 19.000 0.272 0.000 0.818 274 A HN -0.088 8.227 8.150 0.276 0.000 0.443 275 F N -0.047 120.037 119.950 0.223 0.000 2.102 275 F HA -0.336 nan 4.527 nan 0.000 0.298 275 F C 0.651 176.550 175.800 0.165 0.000 1.105 275 F CA 3.187 61.296 58.000 0.182 0.000 1.239 275 F CB 0.349 39.496 39.000 0.245 0.000 0.991 275 F HN -0.047 8.547 8.300 0.490 0.000 0.474 276 W N -1.014 120.192 121.300 -0.156 0.000 2.358 276 W HA -0.438 nan 4.660 nan 0.000 0.303 276 W C 1.743 178.170 176.519 -0.154 0.000 1.208 276 W CA 3.874 61.067 57.345 -0.254 0.000 1.274 276 W CB 0.419 29.801 29.460 -0.130 0.000 1.138 276 W HN 0.242 8.671 8.180 0.415 0.000 0.515 277 T N 2.078 116.646 114.554 0.024 0.000 2.624 277 T HA -0.542 nan 4.350 nan 0.000 0.268 277 T C 2.426 177.024 174.700 -0.170 0.000 1.041 277 T CA 5.440 67.526 62.100 -0.024 0.000 1.159 277 T CB -0.627 68.297 68.868 0.093 0.000 0.863 277 T HN 0.108 8.456 8.240 0.180 0.000 0.434 278 Q N -0.268 119.462 119.800 -0.116 0.000 2.083 278 Q HA -0.177 nan 4.340 nan 0.000 0.198 278 Q C 2.335 178.155 176.000 -0.300 0.000 0.969 278 Q CA 2.758 58.515 55.803 -0.076 0.000 0.838 278 Q CB -0.338 28.535 28.738 0.226 0.000 0.900 278 Q HN -0.141 8.100 8.270 -0.049 0.000 0.436 279 Q N -0.253 119.304 119.800 -0.405 0.000 2.230 279 Q HA -0.208 nan 4.340 nan 0.000 0.202 279 Q C 2.578 178.311 176.000 -0.445 0.000 0.963 279 Q CA 2.548 58.127 55.803 -0.373 0.000 0.866 279 Q CB -0.991 27.482 28.738 -0.442 0.000 0.931 279 Q HN 0.121 8.079 8.270 -0.520 0.000 0.452 280 K N -0.496 119.530 120.400 -0.624 0.000 2.103 280 K HA -0.313 nan 4.320 nan 0.000 0.207 280 K C 1.082 177.510 176.600 -0.285 0.000 1.048 280 K CA 2.975 58.959 56.287 -0.505 0.000 0.930 280 K CB -0.289 31.930 32.500 -0.468 0.000 0.716 280 K HN -0.133 7.674 8.250 -0.738 0.000 0.444 281 Y N -2.028 117.981 120.300 -0.484 0.000 2.230 281 Y HA -0.120 nan 4.550 nan 0.000 0.294 281 Y C 1.356 176.934 175.900 -0.536 0.000 1.120 281 Y CA 2.963 60.740 58.100 -0.538 0.000 1.129 281 Y CB 1.358 39.346 38.460 -0.788 0.000 1.040 281 Y HN -0.866 7.196 8.280 -0.344 0.012 0.519 282 F N -2.263 117.480 119.950 -0.346 0.000 2.234 282 F HA -0.254 nan 4.527 nan 0.000 0.299 282 F C 2.439 178.158 175.800 -0.136 0.000 1.087 282 F CA 3.206 60.949 58.000 -0.429 0.000 1.340 282 F CB -0.778 37.688 39.000 -0.891 0.000 1.031 282 F HN -0.260 7.632 8.300 -0.680 0.000 0.500 283 T N 1.212 115.878 114.554 0.186 0.000 2.622 283 T HA -0.154 nan 4.350 nan 0.000 0.266 283 T C -0.633 174.225 174.700 0.262 0.000 1.047 283 T CA 6.628 68.991 62.100 0.440 0.000 1.159 283 T CB -2.479 66.527 68.868 0.230 0.000 0.863 283 T HN 0.170 8.423 8.240 0.021 0.000 0.422 284 P HA -0.032 nan 4.420 nan 0.000 0.217 284 P C 1.276 178.469 177.300 -0.179 0.000 1.154 284 P CA 2.705 65.795 63.100 -0.017 0.000 0.841 284 P CB -0.392 31.288 31.700 -0.033 0.000 0.788 285 V N -0.723 118.979 119.914 -0.354 0.000 2.307 285 V HA -0.313 nan 4.120 nan 0.000 0.245 285 V C 2.557 178.374 176.094 -0.461 0.000 1.045 285 V CA 4.788 66.815 62.300 -0.455 0.000 1.024 285 V CB -0.710 30.618 31.823 -0.824 0.000 0.651 285 V HN -0.262 7.684 8.190 -0.408 0.000 0.449 286 L N -1.479 119.449 121.223 -0.492 0.000 2.056 286 L HA -0.235 nan 4.340 nan 0.000 0.207 286 L C 2.231 178.281 176.870 -1.366 0.000 1.078 286 L CA 2.485 56.812 54.840 -0.855 0.000 0.749 286 L CB -1.291 40.362 42.059 -0.675 0.000 0.901 286 L HN 0.031 8.077 8.230 -0.306 0.000 0.433 287 G N -1.937 105.854 108.800 -1.681 0.000 2.422 287 G HA2 -0.425 nan 3.960 nan 0.000 0.218 287 G HA3 -0.425 nan 3.960 nan 0.000 0.218 287 G C 0.904 175.429 174.900 -0.625 0.000 1.146 287 G CA 2.141 46.099 45.100 -1.903 0.000 0.769 287 G HN -0.566 6.918 8.290 -1.342 0.000 0.547 288 M N 2.105 121.500 119.600 -0.342 0.000 2.156 288 M HA -0.212 nan 4.480 nan 0.000 0.264 288 M C 1.663 177.907 176.300 -0.093 0.000 1.067 288 M CA 3.427 58.723 55.300 -0.007 0.000 1.131 288 M CB 0.100 32.683 32.600 -0.028 0.000 1.368 288 M HN -0.601 7.319 8.290 -0.439 0.105 0.416 289 L N 0.232 121.256 121.223 -0.332 0.000 2.017 289 L HA -0.365 nan 4.340 nan 0.000 0.208 289 L C 2.499 179.187 176.870 -0.303 0.000 1.073 289 L CA 3.644 58.258 54.840 -0.376 0.000 0.745 289 L CB -0.955 40.773 42.059 -0.552 0.000 0.894 289 L HN -0.121 7.850 8.230 -0.431 0.000 0.432 290 F N -1.951 117.683 119.950 -0.526 0.000 2.051 290 F HA -0.406 nan 4.527 nan 0.000 0.296 290 F C 2.358 177.808 175.800 -0.584 0.000 1.122 290 F CA 2.446 59.909 58.000 -0.895 0.000 1.201 290 F CB -1.067 37.098 39.000 -1.391 0.000 0.978 290 F HN 0.253 8.048 8.300 -0.843 0.000 0.472 291 E N -1.661 118.487 120.200 -0.086 0.000 2.112 291 E HA -0.284 nan 4.350 nan 0.000 0.190 291 E C 2.767 179.305 176.600 -0.103 0.000 0.979 291 E CA 3.177 59.586 56.400 0.015 0.000 0.814 291 E CB 0.260 30.123 29.700 0.272 0.000 0.762 291 E HN 0.034 8.339 8.360 -0.091 0.000 0.460 292 Y N -2.829 117.443 120.300 -0.047 0.000 2.478 292 Y HA 0.040 nan 4.550 nan 0.000 0.261 292 Y C 1.286 177.094 175.900 -0.153 0.000 1.127 292 Y CA 0.887 58.858 58.100 -0.215 0.000 1.288 292 Y CB 0.429 38.386 38.460 -0.838 0.000 1.084 292 Y HN 0.083 8.357 8.280 0.168 0.107 0.530 293 G N -3.359 105.473 108.800 0.053 0.000 3.284 293 G HA2 0.031 nan 3.960 nan 0.000 0.236 293 G HA3 0.031 nan 3.960 nan 0.000 0.236 293 G C -1.755 173.283 174.900 0.230 0.000 1.158 293 G CA -0.484 44.656 45.100 0.066 0.000 0.774 293 G HN -0.237 7.984 8.290 0.032 0.087 0.545 294 S N -2.554 113.271 115.700 0.208 0.000 2.634 294 S HA 0.315 nan 4.470 nan 0.000 0.296 294 S C -0.310 174.240 174.600 -0.083 0.000 1.104 294 S CA -1.339 57.007 58.200 0.244 0.000 0.920 294 S CB 3.040 66.482 63.200 0.404 0.000 1.111 294 S HN -0.967 7.332 8.310 0.090 0.065 0.493 295 K N 1.472 121.688 120.400 -0.306 0.000 2.190 295 K HA 0.056 nan 4.320 nan 0.000 0.202 295 K C -0.525 175.677 176.600 -0.663 0.000 1.045 295 K CA 0.665 56.551 56.287 -0.667 0.000 0.976 295 K CB 0.615 32.350 32.500 -1.276 0.000 0.849 295 K HN 0.353 8.490 8.250 -0.188 0.000 0.468 296 F N -0.190 119.548 119.950 -0.354 0.000 2.408 296 F HA -0.023 nan 4.527 nan 0.000 0.344 296 F C -0.660 174.844 175.800 -0.493 0.000 1.112 296 F CA -0.328 57.433 58.000 -0.398 0.000 1.096 296 F CB 1.223 40.016 39.000 -0.345 0.000 1.129 296 F HN -0.943 7.425 8.300 -0.166 -0.168 0.486 297 K N 3.050 123.165 120.400 -0.476 0.000 2.123 297 K HA 0.190 nan 4.320 nan 0.000 0.259 297 K C -0.974 175.115 176.600 -0.852 0.000 0.960 297 K CA -1.332 54.502 56.287 -0.756 0.000 0.872 297 K CB 1.213 33.124 32.500 -0.980 0.000 1.079 297 K HN 0.014 8.022 8.250 -0.404 0.000 0.440 298 V N 1.551 120.633 119.914 -1.386 0.000 2.490 298 V HA 0.010 nan 4.120 nan 0.000 0.238 298 V C 0.122 176.015 176.094 -0.335 0.000 1.056 298 V CA 1.499 63.267 62.300 -0.888 0.000 1.075 298 V CB 0.793 31.881 31.823 -1.224 0.000 0.746 298 V HN 0.215 6.919 8.190 -2.476 0.000 0.479 299 E N -1.666 118.498 120.200 -0.059 0.000 2.423 299 E HA 0.357 nan 4.350 nan 0.000 0.280 299 E C -2.799 174.071 176.600 0.451 0.000 1.030 299 E CA -2.438 54.075 56.400 0.189 0.000 0.812 299 E CB 0.493 30.257 29.700 0.106 0.000 1.313 299 E HN -0.520 7.834 8.360 -0.011 0.000 0.456 300 P HA 0.024 nan 4.420 nan 0.000 0.275 300 P C -0.147 177.393 177.300 0.400 0.000 1.227 300 P CA -0.907 62.456 63.100 0.439 0.000 0.781 300 P CB 0.771 32.452 31.700 -0.031 0.000 0.906 301 W N 4.047 125.507 121.300 0.266 0.000 2.325 301 W HA -0.427 nan 4.660 nan 0.000 0.299 301 W C 1.044 177.577 176.519 0.023 0.000 1.215 301 W CA 2.940 60.328 57.345 0.072 0.000 1.244 301 W CB 0.496 29.869 29.460 -0.147 0.000 1.140 301 W HN 0.300 9.227 8.180 0.774 -0.282 0.523 302 V N -5.517 114.414 119.914 0.028 0.000 2.407 302 V HA -0.526 nan 4.120 nan 0.000 0.248 302 V C 1.804 177.835 176.094 -0.106 0.000 1.055 302 V CA 3.237 65.454 62.300 -0.137 0.000 1.049 302 V CB -1.261 30.509 31.823 -0.089 0.000 0.662 302 V HN -0.498 7.812 8.190 0.233 0.020 0.455 303 K N -0.107 120.254 120.400 -0.064 0.000 2.001 303 K HA -0.328 nan 4.320 nan 0.000 0.208 303 K C 1.861 178.402 176.600 -0.098 0.000 1.048 303 K CA 3.537 59.796 56.287 -0.046 0.000 0.932 303 K CB -0.056 32.434 32.500 -0.017 0.000 0.715 303 K HN -0.390 7.826 8.250 -0.029 0.017 0.437 304 T N 1.893 116.350 114.554 -0.161 0.000 2.652 304 T HA -0.301 nan 4.350 nan 0.000 0.267 304 T C 1.434 175.709 174.700 -0.708 0.000 1.039 304 T CA 4.813 66.672 62.100 -0.403 0.000 1.153 304 T CB -0.746 67.932 68.868 -0.317 0.000 0.863 304 T HN -0.579 7.628 8.240 -0.055 0.000 0.428 305 W N 1.208 121.863 121.300 -1.075 0.000 2.321 305 W HA -0.495 nan 4.660 nan 0.000 0.306 305 W C 1.407 177.731 176.519 -0.326 0.000 1.217 305 W CA 3.974 60.772 57.345 -0.912 0.000 1.257 305 W CB 0.100 28.877 29.460 -1.138 0.000 1.145 305 W HN 0.351 7.981 8.180 -0.917 0.000 0.509 306 D N -1.728 118.708 120.400 0.060 0.000 2.117 306 D HA -0.355 nan 4.640 nan 0.000 0.198 306 D C 1.947 178.278 176.300 0.051 0.000 0.982 306 D CA 3.871 57.944 54.000 0.122 0.000 0.828 306 D CB -0.003 40.860 40.800 0.105 0.000 0.967 306 D HN -0.572 7.791 8.370 0.000 0.007 0.464 307 R N 0.042 120.552 120.500 0.016 0.000 2.062 307 R HA -0.301 nan 4.340 nan 0.000 0.231 307 R C 2.265 178.674 176.300 0.181 0.000 1.136 307 R CA 3.643 59.805 56.100 0.103 0.000 0.948 307 R CB 0.021 30.395 30.300 0.123 0.000 0.845 307 R HN -0.545 7.698 8.270 -0.045 0.000 0.430 308 W N -2.980 118.262 121.300 -0.096 0.000 2.354 308 W HA -0.213 nan 4.660 nan 0.000 0.315 308 W C 2.671 179.048 176.519 -0.237 0.000 1.206 308 W CA 2.762 60.016 57.345 -0.153 0.000 1.290 308 W CB -0.651 28.690 29.460 -0.199 0.000 1.152 308 W HN 0.251 8.469 8.180 0.064 0.000 0.489 309 V N -2.312 117.473 119.914 -0.215 0.000 2.379 309 V HA -0.320 nan 4.120 nan 0.000 0.243 309 V C 1.851 177.919 176.094 -0.043 0.000 1.035 309 V CA 4.667 66.774 62.300 -0.323 0.000 1.035 309 V CB -0.635 30.638 31.823 -0.917 0.000 0.673 309 V HN 0.117 8.079 8.190 -0.379 0.000 0.457 310 Y N -0.264 119.931 120.300 -0.176 0.000 2.201 310 Y HA -0.370 nan 4.550 nan 0.000 0.292 310 Y C 2.053 177.977 175.900 0.040 0.000 1.119 310 Y CA 4.361 62.456 58.100 -0.008 0.000 1.127 310 Y CB 0.585 39.075 38.460 0.050 0.000 1.019 310 Y HN -0.601 7.681 8.280 0.003 0.000 0.514 311 E N -1.255 119.062 120.200 0.196 0.000 2.030 311 E HA -0.313 nan 4.350 nan 0.000 0.189 311 E C 2.437 179.104 176.600 0.111 0.000 0.974 311 E CA 3.239 59.722 56.400 0.140 0.000 0.807 311 E CB 0.247 30.028 29.700 0.136 0.000 0.771 311 E HN -0.525 7.955 8.360 0.201 0.000 0.451 312 D N -0.245 120.237 120.400 0.137 0.000 2.075 312 D HA -0.179 nan 4.640 nan 0.000 0.196 312 D C 1.978 178.388 176.300 0.184 0.000 0.985 312 D CA 3.203 57.288 54.000 0.142 0.000 0.834 312 D CB -0.124 40.758 40.800 0.136 0.000 0.987 312 D HN 0.144 8.605 8.370 0.152 0.000 0.452 313 W N 0.570 121.864 121.300 -0.010 0.000 2.381 313 W HA -0.239 nan 4.660 nan 0.000 0.323 313 W C 1.940 178.483 176.519 0.040 0.000 1.194 313 W CA 4.377 61.732 57.345 0.016 0.000 1.296 313 W CB 0.284 29.669 29.460 -0.124 0.000 1.175 313 W HN 0.246 8.589 8.180 0.271 0.000 0.465 314 G N -3.079 105.801 108.800 0.134 0.000 2.442 314 G HA2 -0.474 nan 3.960 nan 0.000 0.219 314 G HA3 -0.474 nan 3.960 nan 0.000 0.219 314 G C 0.922 175.694 174.900 -0.214 0.000 1.141 314 G CA 2.305 47.305 45.100 -0.167 0.000 0.763 314 G HN 0.318 8.809 8.290 0.336 0.000 0.554 315 G N 0.875 109.617 108.800 -0.097 0.000 2.572 315 G HA2 0.029 nan 3.960 nan 0.000 0.214 315 G HA3 0.029 nan 3.960 nan 0.000 0.214 315 G C 1.288 176.143 174.900 -0.073 0.000 1.246 315 G CA 0.823 45.880 45.100 -0.071 0.000 0.835 315 G HN -0.601 7.664 8.290 -0.025 0.011 0.551 316 I N 1.088 121.648 120.570 -0.017 0.000 2.235 316 I HA -0.276 nan 4.170 nan 0.000 0.241 316 I C 1.256 177.362 176.117 -0.019 0.000 1.085 316 I CA 3.626 64.921 61.300 -0.007 0.000 1.378 316 I CB 0.329 38.355 38.000 0.044 0.000 1.076 316 I HN -0.531 7.692 8.210 0.022 0.000 0.415 317 W N 0.368 121.571 121.300 -0.162 0.000 2.353 317 W HA -0.399 nan 4.660 nan 0.000 0.319 317 W C 2.501 178.861 176.519 -0.265 0.000 1.207 317 W CA 3.460 60.693 57.345 -0.187 0.000 1.291 317 W CB 0.549 29.878 29.460 -0.219 0.000 1.159 317 W HN -0.032 8.231 8.180 0.139 0.000 0.478 318 I N -3.333 116.971 120.570 -0.444 0.000 2.493 318 I HA -0.329 nan 4.170 nan 0.000 0.254 318 I C 2.813 178.723 176.117 -0.345 0.000 1.160 318 I CA 2.125 63.118 61.300 -0.512 0.000 1.445 318 I CB -1.521 36.093 38.000 -0.643 0.000 1.086 318 I HN 0.009 7.989 8.210 -0.383 0.000 0.433 319 G N -0.852 107.793 108.800 -0.258 0.000 2.432 319 G HA2 -0.299 nan 3.960 nan 0.000 0.219 319 G HA3 -0.299 nan 3.960 nan 0.000 0.219 319 G C 1.345 176.138 174.900 -0.179 0.000 1.135 319 G CA 1.810 46.799 45.100 -0.184 0.000 0.767 319 G HN -0.222 7.827 8.290 -0.240 0.097 0.550 320 R N 0.738 121.113 120.500 -0.209 0.000 2.152 320 R HA -0.229 nan 4.340 nan 0.000 0.232 320 R C 1.397 177.624 176.300 -0.122 0.000 1.117 320 R CA 2.269 58.275 56.100 -0.156 0.000 0.981 320 R CB -0.095 30.097 30.300 -0.180 0.000 0.870 320 R HN -0.577 7.438 8.270 -0.251 0.105 0.451 321 L N -3.316 117.795 121.223 -0.187 0.000 2.653 321 L HA 0.193 nan 4.340 nan 0.000 0.231 321 L C 0.765 177.568 176.870 -0.111 0.000 1.153 321 L CA -0.663 54.124 54.840 -0.088 0.000 0.933 321 L CB -0.424 41.535 42.059 -0.168 0.000 1.175 321 L HN -0.438 7.465 8.230 -0.270 0.165 0.473 322 G N 0.040 108.743 108.800 -0.162 0.000 2.422 322 G HA2 -0.301 nan 3.960 nan 0.000 0.218 322 G HA3 -0.301 nan 3.960 nan 0.000 0.218 322 G C 0.591 175.380 174.900 -0.185 0.000 1.146 322 G CA 2.158 47.169 45.100 -0.149 0.000 0.769 322 G HN -0.224 7.801 8.290 -0.171 0.163 0.547 323 K N -0.170 120.045 120.400 -0.308 0.000 2.515 323 K HA -0.181 nan 4.320 nan 0.000 0.196 323 K C 0.208 176.485 176.600 -0.539 0.000 1.038 323 K CA 1.902 57.938 56.287 -0.418 0.000 0.967 323 K CB -0.904 31.295 32.500 -0.503 0.000 0.780 323 K HN -0.021 8.032 8.250 -0.312 0.010 0.483 324 Y N -1.852 118.379 120.300 -0.114 0.000 2.524 324 Y HA 0.086 nan 4.550 nan 0.000 0.266 324 Y C 0.081 175.933 175.900 -0.081 0.000 1.180 324 Y CA -0.898 57.135 58.100 -0.112 0.000 1.244 324 Y CB -0.392 37.964 38.460 -0.173 0.000 1.125 324 Y HN -0.359 7.572 8.280 -0.271 0.187 0.524 325 G N -1.326 107.471 108.800 -0.004 0.000 2.147 325 G HA2 -0.478 nan 3.960 nan 0.000 0.244 325 G HA3 -0.478 nan 3.960 nan 0.000 0.244 325 G C -1.007 173.896 174.900 0.005 0.000 1.005 325 G CA 0.357 45.456 45.100 -0.001 0.000 0.713 325 G HN -0.180 7.878 8.290 -0.077 0.185 0.515 326 V N 2.180 122.089 119.914 -0.009 0.000 2.498 326 V HA 0.009 nan 4.120 nan 0.000 0.279 326 V C -0.811 175.246 176.094 -0.062 0.000 1.048 326 V CA 0.329 62.614 62.300 -0.025 0.000 0.967 326 V CB 0.236 32.032 31.823 -0.044 0.000 0.988 326 V HN -0.690 7.461 8.190 -0.015 0.030 0.473 327 E N 5.950 126.119 120.200 -0.051 0.000 2.281 327 E HA 0.224 nan 4.350 nan 0.000 0.262 327 E C -1.014 175.524 176.600 -0.103 0.000 0.933 327 E CA -2.398 53.957 56.400 -0.074 0.000 0.809 327 E CB 2.005 31.680 29.700 -0.041 0.000 1.242 327 E HN 0.030 8.503 8.360 -0.021 -0.126 0.418 328 S N 1.458 117.075 115.700 -0.140 0.000 2.552 328 S HA 0.070 nan 4.470 nan 0.000 0.289 328 S C -1.369 173.156 174.600 -0.124 0.000 1.304 328 S CA -0.100 57.988 58.200 -0.186 0.000 1.063 328 S CB -0.268 62.815 63.200 -0.197 0.000 0.848 328 S HN 0.186 8.417 8.310 -0.132 0.000 0.499 329 P HA 0.034 nan 4.420 nan 0.000 0.264 329 P C -0.117 177.148 177.300 -0.058 0.000 1.193 329 P CA 0.064 63.122 63.100 -0.070 0.000 0.763 329 P CB 0.286 31.920 31.700 -0.111 0.000 0.810 330 R N 4.077 124.574 120.500 -0.006 0.000 2.249 330 R HA -0.282 nan 4.340 nan 0.000 0.230 330 R C 0.920 177.229 176.300 0.015 0.000 1.121 330 R CA 2.917 59.041 56.100 0.040 0.000 0.997 330 R CB -0.735 29.630 30.300 0.109 0.000 0.867 330 R HN 0.570 8.850 8.270 0.016 0.000 0.465 331 S N -1.180 114.424 115.700 -0.159 0.000 2.605 331 S HA 0.034 nan 4.470 nan 0.000 0.217 331 S C 0.707 175.509 174.600 0.337 0.000 0.958 331 S CA 1.097 59.183 58.200 -0.190 0.000 0.919 331 S CB 0.635 63.251 63.200 -0.974 0.000 0.780 331 S HN -0.239 8.213 8.310 -0.153 -0.233 0.507 332 L N 2.809 124.173 121.223 0.235 0.000 2.012 332 L HA -0.399 nan 4.340 nan 0.000 0.210 332 L C 1.302 178.476 176.870 0.507 0.000 1.073 332 L CA 4.046 59.060 54.840 0.290 0.000 0.748 332 L CB -0.355 41.657 42.059 -0.077 0.000 0.891 332 L HN -0.049 8.045 8.230 0.065 0.175 0.431 333 K N -1.356 119.293 120.400 0.414 0.000 2.097 333 K HA -0.339 nan 4.320 nan 0.000 0.205 333 K C 1.607 178.472 176.600 0.441 0.000 1.050 333 K CA 3.952 60.505 56.287 0.444 0.000 0.938 333 K CB -0.676 32.019 32.500 0.325 0.000 0.718 333 K HN 0.185 8.618 8.250 0.305 0.000 0.442 334 D N -0.925 119.763 120.400 0.479 0.000 2.117 334 D HA -0.254 nan 4.640 nan 0.000 0.197 334 D C 1.919 178.589 176.300 0.615 0.000 0.987 334 D CA 3.492 57.806 54.000 0.523 0.000 0.829 334 D CB -0.820 40.358 40.800 0.630 0.000 0.961 334 D HN -0.605 8.048 8.370 0.471 0.000 0.460 335 A N -0.371 122.906 122.820 0.761 0.000 1.902 335 A HA -0.286 nan 4.320 nan 0.000 0.217 335 A C 1.740 179.572 177.584 0.413 0.000 1.181 335 A CA 3.091 55.512 52.037 0.640 0.000 0.623 335 A CB -0.550 18.936 19.000 0.810 0.000 0.818 335 A HN 0.151 8.785 8.150 0.806 0.000 0.443 336 K N -2.018 118.688 120.400 0.510 0.000 2.097 336 K HA -0.351 nan 4.320 nan 0.000 0.205 336 K C 2.222 178.868 176.600 0.077 0.000 1.050 336 K CA 2.998 59.416 56.287 0.218 0.000 0.938 336 K CB 0.076 32.760 32.500 0.307 0.000 0.718 336 K HN -0.288 8.292 8.250 0.671 0.073 0.442 337 Q N -2.823 117.089 119.800 0.187 0.000 2.123 337 Q HA -0.214 nan 4.340 nan 0.000 0.199 337 Q C 2.570 178.663 176.000 0.155 0.000 0.966 337 Q CA 2.556 58.451 55.803 0.153 0.000 0.845 337 Q CB -0.162 28.686 28.738 0.183 0.000 0.907 337 Q HN -0.203 8.156 8.270 0.277 0.077 0.439 338 D N -0.102 120.411 120.400 0.188 0.000 2.347 338 D HA -0.091 nan 4.640 nan 0.000 0.215 338 D C 0.987 177.335 176.300 0.081 0.000 0.976 338 D CA 1.821 55.932 54.000 0.186 0.000 0.884 338 D CB -0.469 40.488 40.800 0.261 0.000 0.915 338 D HN -0.161 8.356 8.370 0.245 0.000 0.526 339 A N -0.739 122.016 122.820 -0.109 0.000 1.858 339 A HA -0.254 nan 4.320 nan 0.000 0.216 339 A C 1.815 179.296 177.584 -0.170 0.000 1.190 339 A CA 2.787 54.605 52.037 -0.365 0.000 0.617 339 A CB -0.776 17.566 19.000 -1.096 0.000 0.827 339 A HN -0.455 7.465 8.150 -0.118 0.160 0.443 340 Y N -0.917 119.265 120.300 -0.196 0.000 2.062 340 Y HA -0.459 nan 4.550 nan 0.000 0.276 340 Y C 0.750 176.580 175.900 -0.116 0.000 1.189 340 Y CA 3.911 61.898 58.100 -0.188 0.000 1.130 340 Y CB 0.004 38.281 38.460 -0.305 0.000 0.959 340 Y HN -0.115 8.183 8.280 0.031 0.000 0.499 341 W N -6.689 114.777 121.300 0.278 0.000 3.211 341 W HA 0.004 nan 4.660 nan 0.000 0.292 341 W C 0.730 177.319 176.519 0.118 0.000 1.268 341 W CA -0.760 56.720 57.345 0.226 0.000 1.702 341 W CB -0.350 29.303 29.460 0.323 0.000 1.092 341 W HN -0.464 7.948 8.180 0.387 0.000 0.643 342 A N 1.413 124.414 122.820 0.301 0.000 1.903 342 A HA -0.541 nan 4.320 nan 0.000 0.219 342 A C 1.185 178.882 177.584 0.187 0.000 1.191 342 A CA 3.384 55.558 52.037 0.229 0.000 0.638 342 A CB -1.053 18.034 19.000 0.145 0.000 0.823 342 A HN -0.213 7.921 8.150 0.249 0.165 0.451 343 H N -3.658 115.393 119.070 -0.032 0.000 2.457 343 H HA -0.303 nan 4.556 nan 0.000 0.294 343 H C 2.371 177.656 175.328 -0.071 0.000 1.064 343 H CA 2.637 58.625 56.048 -0.100 0.000 1.330 343 H CB -0.592 29.059 29.762 -0.183 0.000 1.395 343 H HN 0.141 8.722 8.280 0.502 0.000 0.541 344 H N 1.206 120.052 119.070 -0.374 0.000 2.307 344 H HA -0.308 nan 4.556 nan 0.000 0.303 344 H C 2.337 177.581 175.328 -0.140 0.000 1.073 344 H CA 3.277 59.063 56.048 -0.436 0.000 1.338 344 H CB 0.162 29.461 29.762 -0.772 0.000 1.389 344 H HN -0.238 7.595 8.280 -0.483 0.158 0.503 345 D N -0.164 120.402 120.400 0.276 0.000 2.158 345 D HA -0.324 nan 4.640 nan 0.000 0.197 345 D C 2.479 178.932 176.300 0.256 0.000 0.995 345 D CA 3.251 57.472 54.000 0.369 0.000 0.846 345 D CB -0.358 40.639 40.800 0.327 0.000 0.941 345 D HN -0.261 8.295 8.370 0.309 0.000 0.456 346 L N -1.152 120.173 121.223 0.170 0.000 2.109 346 L HA -0.280 nan 4.340 nan 0.000 0.207 346 L C 1.356 178.292 176.870 0.111 0.000 1.086 346 L CA 2.479 57.395 54.840 0.126 0.000 0.760 346 L CB 0.079 42.177 42.059 0.064 0.000 0.910 346 L HN -0.321 7.917 8.230 0.146 0.080 0.437 347 Y N -0.105 120.143 120.300 -0.086 0.000 2.293 347 Y HA -0.411 nan 4.550 nan 0.000 0.291 347 Y C 1.780 177.744 175.900 0.106 0.000 1.137 347 Y CA 3.807 61.810 58.100 -0.163 0.000 1.202 347 Y CB -0.064 37.940 38.460 -0.762 0.000 0.990 347 Y HN -0.424 7.905 8.280 0.082 0.000 0.537 348 L N -1.544 119.836 121.223 0.262 0.000 2.043 348 L HA -0.468 nan 4.340 nan 0.000 0.212 348 L C 2.256 179.366 176.870 0.400 0.000 1.075 348 L CA 3.555 58.640 54.840 0.408 0.000 0.752 348 L CB -0.597 41.700 42.059 0.397 0.000 0.891 348 L HN -0.627 7.768 8.230 0.275 0.000 0.432 349 L N -1.884 119.465 121.223 0.210 0.000 2.072 349 L HA -0.295 nan 4.340 nan 0.000 0.205 349 L C 1.853 178.711 176.870 -0.019 0.000 1.079 349 L CA 2.690 57.553 54.840 0.038 0.000 0.752 349 L CB -1.104 40.975 42.059 0.032 0.000 0.906 349 L HN -0.805 7.539 8.230 0.206 0.009 0.436 350 A N -0.359 122.437 122.820 -0.039 0.000 1.933 350 A HA -0.301 nan 4.320 nan 0.000 0.218 350 A C 1.466 178.977 177.584 -0.121 0.000 1.175 350 A CA 2.960 54.958 52.037 -0.066 0.000 0.628 350 A CB -0.624 18.343 19.000 -0.054 0.000 0.814 350 A HN -0.160 7.974 8.150 -0.027 0.000 0.444 351 Y N -2.221 117.886 120.300 -0.320 0.000 2.220 351 Y HA -0.339 nan 4.550 nan 0.000 0.291 351 Y C 2.070 177.941 175.900 -0.047 0.000 1.129 351 Y CA 2.907 60.887 58.100 -0.201 0.000 1.161 351 Y CB 0.750 39.063 38.460 -0.245 0.000 0.997 351 Y HN -0.182 7.965 8.280 -0.222 0.000 0.522 352 A N -0.056 122.798 122.820 0.056 0.000 1.940 352 A HA -0.289 nan 4.320 nan 0.000 0.219 352 A C 1.279 178.673 177.584 -0.317 0.000 1.176 352 A CA 2.911 54.849 52.037 -0.166 0.000 0.631 352 A CB -0.496 18.435 19.000 -0.115 0.000 0.814 352 A HN -0.015 8.256 8.150 0.202 0.000 0.446 353 L N -4.312 116.750 121.223 -0.268 0.000 2.783 353 L HA 0.193 nan 4.340 nan 0.000 0.236 353 L C 0.448 177.078 176.870 -0.401 0.000 1.225 353 L CA -1.369 53.277 54.840 -0.323 0.000 1.026 353 L CB -1.570 40.383 42.059 -0.178 0.000 1.314 353 L HN -0.214 7.897 8.230 -0.181 0.010 0.489 354 W N -0.059 120.957 121.300 -0.473 0.000 2.308 354 W HA -0.256 nan 4.660 nan 0.000 0.301 354 W C -1.798 174.433 176.519 -0.480 0.000 1.220 354 W CA 3.831 60.852 57.345 -0.540 0.000 1.240 354 W CB -3.437 25.562 29.460 -0.768 0.000 1.142 354 W HN 0.102 7.896 8.180 -0.358 0.172 0.521 355 P HA -0.116 nan 4.420 nan 0.000 0.231 355 P C -0.030 176.988 177.300 -0.469 0.000 1.158 355 P CA 1.648 64.153 63.100 -0.992 0.000 0.763 355 P CB -0.704 30.293 31.700 -1.173 0.000 0.805 356 T N -7.134 107.206 114.554 -0.357 0.000 3.081 356 T HA 0.094 nan 4.350 nan 0.000 0.250 356 T C 0.816 175.415 174.700 -0.168 0.000 1.100 356 T CA -0.104 61.886 62.100 -0.184 0.000 1.038 356 T CB 0.082 68.910 68.868 -0.067 0.000 0.962 356 T HN -0.042 7.902 8.240 -0.393 0.059 0.516 357 G N 1.769 110.359 108.800 -0.351 0.000 2.525 357 G HA2 0.201 nan 3.960 nan 0.000 0.287 357 G HA3 0.201 nan 3.960 nan 0.000 0.287 357 G C -2.026 172.612 174.900 -0.437 0.000 1.350 357 G CA -1.309 43.408 45.100 -0.637 0.000 1.039 357 G HN -0.532 7.465 8.290 -0.396 0.055 0.513 358 F N -5.113 114.434 119.950 -0.672 0.000 2.810 358 F HA 0.417 nan 4.527 nan 0.000 0.353 358 F C -2.388 173.320 175.800 -0.154 0.000 1.227 358 F CA -2.400 55.445 58.000 -0.258 0.000 1.210 358 F CB -0.348 38.617 39.000 -0.059 0.000 1.039 358 F HN -0.059 7.393 8.300 -1.412 0.000 0.509 359 F N -5.080 114.670 119.950 -0.334 0.000 2.686 359 F HA 0.508 nan 4.527 nan 0.000 0.311 359 F C -2.006 173.661 175.800 -0.223 0.000 1.128 359 F CA -2.084 55.700 58.000 -0.360 0.000 0.946 359 F CB 2.385 41.029 39.000 -0.592 0.000 1.336 359 F HN -0.842 6.751 8.300 -1.089 0.054 0.457 360 R N -0.178 120.332 120.500 0.015 0.000 2.346 360 R HA 0.478 nan 4.340 nan 0.000 0.311 360 R C -1.345 174.985 176.300 0.051 0.000 0.983 360 R CA -0.629 55.436 56.100 -0.058 0.000 0.880 360 R CB 1.634 31.879 30.300 -0.092 0.000 1.100 360 R HN -0.042 8.450 8.270 0.049 -0.193 0.453 361 L N 3.433 124.670 121.223 0.023 0.000 2.330 361 L HA 0.659 nan 4.340 nan 0.000 0.271 361 L C -1.681 175.334 176.870 0.242 0.000 1.013 361 L CA -1.872 53.089 54.840 0.202 0.000 0.816 361 L CB 2.790 44.985 42.059 0.227 0.000 1.287 361 L HN 0.520 8.670 8.230 -0.134 0.000 0.435 362 A N 1.305 124.331 122.820 0.343 0.000 2.401 362 A HA 0.544 nan 4.320 nan 0.000 0.310 362 A C -1.518 176.206 177.584 0.234 0.000 1.075 362 A CA -1.860 50.342 52.037 0.275 0.000 0.746 362 A CB 2.825 21.941 19.000 0.193 0.000 1.277 362 A HN -0.084 8.312 8.150 0.410 0.000 0.425 363 L N 0.135 121.414 121.223 0.093 0.000 2.452 363 L HA 0.141 nan 4.340 nan 0.000 0.267 363 L C -1.195 175.679 176.870 0.008 0.000 1.188 363 L CA -2.162 52.614 54.840 -0.107 0.000 0.821 363 L CB -0.425 41.597 42.059 -0.061 0.000 1.102 363 L HN 0.463 8.780 8.230 0.145 0.000 0.470 364 P HA -0.131 nan 4.420 nan 0.000 0.262 364 P C -1.687 175.697 177.300 0.140 0.000 1.182 364 P CA 0.119 63.306 63.100 0.146 0.000 0.761 364 P CB 0.248 32.148 31.700 0.333 0.000 0.795 365 D N 3.907 124.361 120.400 0.089 0.000 2.451 365 D HA -0.008 nan 4.640 nan 0.000 0.259 365 D C 0.900 177.260 176.300 0.100 0.000 1.201 365 D CA -1.289 52.759 54.000 0.080 0.000 1.028 365 D CB 0.734 41.549 40.800 0.025 0.000 1.095 365 D HN -0.367 8.311 8.370 0.045 -0.281 0.539 366 Q N -1.152 118.701 119.800 0.087 0.000 2.135 366 Q HA -0.320 nan 4.340 nan 0.000 0.204 366 Q C 2.124 178.158 176.000 0.057 0.000 0.981 366 Q CA 3.593 59.450 55.803 0.091 0.000 0.856 366 Q CB -0.182 28.595 28.738 0.066 0.000 0.902 366 Q HN 0.400 8.714 8.270 0.074 0.000 0.425 367 E N -1.208 118.996 120.200 0.007 0.000 2.072 367 E HA -0.313 nan 4.350 nan 0.000 0.191 367 E C 2.311 178.885 176.600 -0.043 0.000 0.985 367 E CA 2.944 59.330 56.400 -0.023 0.000 0.801 367 E CB -0.254 29.403 29.700 -0.072 0.000 0.750 367 E HN -0.415 8.041 8.360 -0.004 -0.098 0.452 368 E N -1.369 118.771 120.200 -0.101 0.000 2.371 368 E HA -0.161 nan 4.350 nan 0.000 0.194 368 E C 2.274 178.801 176.600 -0.121 0.000 1.012 368 E CA 2.013 58.275 56.400 -0.229 0.000 0.860 368 E CB -0.443 29.012 29.700 -0.408 0.000 0.811 368 E HN -0.168 8.429 8.360 -0.077 -0.284 0.502 369 M N 0.935 120.596 119.600 0.101 0.000 2.175 369 M HA -0.386 nan 4.480 nan 0.000 0.264 369 M C 1.954 178.370 176.300 0.195 0.000 1.063 369 M CA 4.508 59.955 55.300 0.245 0.000 1.119 369 M CB -0.116 32.753 32.600 0.448 0.000 1.377 369 M HN 0.431 8.788 8.290 0.111 0.000 0.415 370 E N 0.168 120.443 120.200 0.126 0.000 2.077 370 E HA -0.357 nan 4.350 nan 0.000 0.193 370 E C 1.788 178.430 176.600 0.071 0.000 0.989 370 E CA 3.259 59.714 56.400 0.092 0.000 0.800 370 E CB -0.064 29.671 29.700 0.059 0.000 0.746 370 E HN -0.462 7.962 8.360 0.108 0.000 0.452 371 W N 0.618 121.816 121.300 -0.170 0.000 2.358 371 W HA -0.363 nan 4.660 nan 0.000 0.303 371 W C 2.117 178.498 176.519 -0.230 0.000 1.208 371 W CA 3.772 60.973 57.345 -0.239 0.000 1.274 371 W CB 0.135 29.368 29.460 -0.377 0.000 1.138 371 W HN -0.227 7.957 8.180 0.117 0.067 0.515 372 F N -2.516 117.408 119.950 -0.043 0.000 2.134 372 F HA -0.542 nan 4.527 nan 0.000 0.299 372 F C 2.006 177.744 175.800 -0.102 0.000 1.097 372 F CA 3.509 61.322 58.000 -0.312 0.000 1.264 372 F CB -0.486 37.750 39.000 -1.272 0.000 1.001 372 F HN 0.304 8.424 8.300 -0.124 0.106 0.479 373 E N -0.196 120.137 120.200 0.222 0.000 2.038 373 E HA -0.422 nan 4.350 nan 0.000 0.195 373 E C 2.541 179.225 176.600 0.139 0.000 1.000 373 E CA 3.193 59.782 56.400 0.315 0.000 0.803 373 E CB -0.093 29.785 29.700 0.295 0.000 0.750 373 E HN -0.339 8.131 8.360 0.183 0.000 0.448 374 A N -1.337 121.474 122.820 -0.016 0.000 1.978 374 A HA -0.190 nan 4.320 nan 0.000 0.220 374 A C 1.705 179.164 177.584 -0.208 0.000 1.170 374 A CA 2.613 54.585 52.037 -0.109 0.000 0.636 374 A CB -0.326 18.567 19.000 -0.178 0.000 0.810 374 A HN 0.120 8.254 8.150 -0.026 0.000 0.448 375 N N -4.514 113.964 118.700 -0.370 0.000 2.356 375 N HA 0.002 nan 4.740 nan 0.000 0.178 375 N C -0.431 174.748 175.510 -0.552 0.000 1.075 375 N CA 1.106 53.806 53.050 -0.583 0.000 0.889 375 N CB 1.901 39.764 38.487 -1.041 0.000 0.999 375 N HN -0.530 7.509 8.380 -0.373 0.117 0.464 376 Y N -0.964 119.365 120.300 0.047 0.000 2.535 376 Y HA 0.363 nan 4.550 nan 0.000 0.351 376 Y C -2.598 173.537 175.900 0.391 0.000 1.050 376 Y CA -3.133 55.086 58.100 0.198 0.000 1.168 376 Y CB 0.344 38.910 38.460 0.176 0.000 1.116 376 Y HN -0.097 8.181 8.280 0.166 0.102 0.654 377 P HA -0.132 nan 4.420 nan 0.000 0.258 377 P C 0.043 177.660 177.300 0.527 0.000 1.187 377 P CA 0.762 64.092 63.100 0.384 0.000 0.767 377 P CB -0.175 31.669 31.700 0.240 0.000 0.770 378 G N 3.729 112.817 108.800 0.480 0.000 2.255 378 G HA2 -0.273 nan 3.960 nan 0.000 0.196 378 G HA3 -0.273 nan 3.960 nan 0.000 0.196 378 G C 0.360 175.489 174.900 0.381 0.000 0.998 378 G CA -0.405 44.926 45.100 0.385 0.000 0.656 378 G HN 0.138 8.697 8.290 0.448 0.000 0.490 379 W N 1.946 123.519 121.300 0.455 0.000 2.355 379 W HA -0.413 nan 4.660 nan 0.000 0.309 379 W C -0.500 176.205 176.519 0.309 0.000 1.206 379 W CA 5.140 62.745 57.345 0.434 0.000 1.284 379 W CB 0.210 29.864 29.460 0.322 0.000 1.145 379 W HN 0.015 8.634 8.180 0.828 0.058 0.502 380 Y N -1.673 118.835 120.300 0.346 0.000 2.145 380 Y HA -0.536 nan 4.550 nan 0.000 0.286 380 Y C 1.140 176.972 175.900 -0.114 0.000 1.145 380 Y CA 3.711 61.880 58.100 0.115 0.000 1.148 380 Y CB -0.576 38.055 38.460 0.285 0.000 0.981 380 Y HN 0.105 8.826 8.280 0.735 0.000 0.507 381 D N -4.231 116.081 120.400 -0.146 0.000 2.309 381 D HA -0.225 nan 4.640 nan 0.000 0.212 381 D C 0.395 176.451 176.300 -0.407 0.000 0.968 381 D CA 3.029 56.867 54.000 -0.270 0.000 0.882 381 D CB -0.497 40.274 40.800 -0.048 0.000 0.918 381 D HN 0.544 8.998 8.370 0.139 0.000 0.503 382 H N -0.784 117.921 119.070 -0.608 0.000 2.311 382 H HA 0.024 nan 4.556 nan 0.000 0.289 382 H C 1.584 176.278 175.328 -1.056 0.000 1.022 382 H CA 2.074 57.627 56.048 -0.825 0.000 1.416 382 H CB 2.001 31.163 29.762 -1.000 0.000 1.480 382 H HN -0.794 7.106 8.280 -0.382 0.151 0.609 383 Y N -1.887 117.819 120.300 -0.990 0.000 2.243 383 Y HA -0.170 nan 4.550 nan 0.000 0.293 383 Y C 2.402 177.464 175.900 -1.398 0.000 1.124 383 Y CA 3.134 60.449 58.100 -1.309 0.000 1.159 383 Y CB 0.197 37.847 38.460 -1.350 0.000 1.008 383 Y HN 0.522 8.259 8.280 -0.904 0.000 0.527 384 G N -0.959 107.118 108.800 -1.205 0.000 2.440 384 G HA2 -0.439 nan 3.960 nan 0.000 0.218 384 G HA3 -0.439 nan 3.960 nan 0.000 0.218 384 G C 1.232 175.787 174.900 -0.575 0.000 1.154 384 G CA 1.946 46.707 45.100 -0.566 0.000 0.767 384 G HN -0.319 7.139 8.290 -1.387 0.000 0.552 385 K N 2.271 122.119 120.400 -0.920 0.000 2.032 385 K HA -0.292 nan 4.320 nan 0.000 0.209 385 K C 2.321 178.530 176.600 -0.651 0.000 1.048 385 K CA 2.852 58.714 56.287 -0.709 0.000 0.927 385 K CB -0.163 31.918 32.500 -0.698 0.000 0.712 385 K HN -0.169 7.411 8.250 -1.117 0.000 0.441 386 I N -0.436 119.572 120.570 -0.937 0.000 2.252 386 I HA -0.508 nan 4.170 nan 0.000 0.245 386 I C 1.980 177.331 176.117 -1.277 0.000 1.102 386 I CA 4.024 64.558 61.300 -1.277 0.000 1.385 386 I CB 0.034 37.006 38.000 -1.713 0.000 1.064 386 I HN -0.771 6.821 8.210 -1.031 0.000 0.414 387 Y N -1.638 118.216 120.300 -0.743 0.000 2.224 387 Y HA -0.474 nan 4.550 nan 0.000 0.289 387 Y C 2.525 178.331 175.900 -0.155 0.000 1.146 387 Y CA 2.485 60.356 58.100 -0.382 0.000 1.182 387 Y CB -1.307 37.074 38.460 -0.131 0.000 0.983 387 Y HN 0.177 7.793 8.280 -1.107 0.000 0.524 388 E N -0.903 119.276 120.200 -0.035 0.000 2.110 388 E HA -0.434 nan 4.350 nan 0.000 0.193 388 E C 2.237 178.836 176.600 -0.002 0.000 0.988 388 E CA 3.324 59.741 56.400 0.028 0.000 0.804 388 E CB -0.480 29.234 29.700 0.024 0.000 0.745 388 E HN 0.033 8.296 8.360 -0.144 0.010 0.458 389 E N 0.539 120.665 120.200 -0.123 0.000 2.072 389 E HA -0.292 nan 4.350 nan 0.000 0.191 389 E C 2.345 179.011 176.600 0.110 0.000 0.985 389 E CA 3.030 59.395 56.400 -0.057 0.000 0.801 389 E CB -0.009 29.600 29.700 -0.151 0.000 0.750 389 E HN -0.406 7.708 8.360 -0.276 0.081 0.452 390 W N -1.560 119.707 121.300 -0.056 0.000 2.363 390 W HA -0.219 nan 4.660 nan 0.000 0.296 390 W C 2.404 179.026 176.519 0.171 0.000 1.212 390 W CA 2.025 59.452 57.345 0.137 0.000 1.260 390 W CB -0.637 28.955 29.460 0.221 0.000 1.131 390 W HN -0.164 7.987 8.180 -0.049 0.000 0.530 391 R N -0.639 120.069 120.500 0.346 0.000 2.073 391 R HA -0.417 nan 4.340 nan 0.000 0.234 391 R C 2.601 178.996 176.300 0.158 0.000 1.134 391 R CA 3.480 59.728 56.100 0.246 0.000 0.952 391 R CB -0.201 30.211 30.300 0.187 0.000 0.850 391 R HN 0.270 8.621 8.270 0.308 0.104 0.433 392 A N -0.373 122.508 122.820 0.101 0.000 1.978 392 A HA -0.177 nan 4.320 nan 0.000 0.220 392 A C 1.708 179.295 177.584 0.005 0.000 1.170 392 A CA 2.523 54.588 52.037 0.047 0.000 0.636 392 A CB -0.697 18.318 19.000 0.025 0.000 0.810 392 A HN 0.018 8.167 8.150 0.104 0.063 0.448 393 R N -3.385 117.080 120.500 -0.057 0.000 2.323 393 R HA -0.039 nan 4.340 nan 0.000 0.198 393 R C 0.019 176.292 176.300 -0.046 0.000 0.988 393 R CA -0.176 55.794 56.100 -0.218 0.000 1.041 393 R CB 0.130 29.946 30.300 -0.807 0.000 0.926 393 R HN -0.162 8.082 8.270 -0.026 0.011 0.476 394 G N -1.936 106.935 108.800 0.118 0.000 2.182 394 G HA2 -0.362 nan 3.960 nan 0.000 0.248 394 G HA3 -0.362 nan 3.960 nan 0.000 0.248 394 G C 0.545 175.695 174.900 0.417 0.000 1.042 394 G CA 0.032 45.261 45.100 0.215 0.000 0.775 394 G HN 0.054 8.213 8.290 0.113 0.199 0.501 395 C N -2.466 117.162 119.300 0.547 0.000 2.410 395 C HA -0.260 nan 4.460 nan 0.000 0.281 395 C C 0.314 175.598 174.990 0.489 0.000 1.318 395 C CA 1.495 60.889 59.018 0.627 0.000 1.776 395 C CB -1.266 26.844 27.740 0.616 0.000 1.942 395 C HN -0.324 8.192 8.230 0.477 0.000 0.508 396 E N -2.837 117.611 120.200 0.413 0.000 2.479 396 E HA -0.083 nan 4.350 nan 0.000 0.193 396 E C -0.633 176.279 176.600 0.521 0.000 1.049 396 E CA -0.604 56.051 56.400 0.425 0.000 0.870 396 E CB 0.001 29.860 29.700 0.265 0.000 0.944 396 E HN -0.146 8.408 8.360 0.352 0.017 0.492 397 D N 2.075 122.704 120.400 0.381 0.000 2.280 397 D HA 0.309 nan 4.640 nan 0.000 0.236 397 D C -1.548 174.640 176.300 -0.188 0.000 1.082 397 D CA -3.701 50.354 54.000 0.092 0.000 0.834 397 D CB 1.431 42.261 40.800 0.049 0.000 1.100 397 D HN -0.459 7.993 8.370 0.427 0.174 0.486 398 P HA -0.104 nan 4.420 nan 0.000 0.222 398 P C 0.529 177.438 177.300 -0.651 0.000 1.147 398 P CA 1.415 63.615 63.100 -1.499 0.000 0.790 398 P CB 0.347 31.275 31.700 -1.287 0.000 0.780 399 S N -1.628 113.880 115.700 -0.319 0.000 2.561 399 S HA -0.130 nan 4.470 nan 0.000 0.225 399 S C 1.543 176.101 174.600 -0.069 0.000 0.977 399 S CA 1.880 59.983 58.200 -0.162 0.000 0.926 399 S CB -0.257 62.880 63.200 -0.106 0.000 0.769 399 S HN -0.508 7.849 8.310 -0.269 -0.208 0.533 400 S N 1.301 116.988 115.700 -0.021 0.000 2.406 400 S HA -0.106 nan 4.470 nan 0.000 0.228 400 S C 1.125 175.820 174.600 0.159 0.000 1.020 400 S CA 1.181 59.442 58.200 0.103 0.000 0.965 400 S CB 0.334 63.668 63.200 0.223 0.000 0.798 400 S HN -0.480 7.718 8.310 -0.074 0.068 0.488 401 G N 2.024 110.925 108.800 0.168 0.000 2.176 401 G HA2 -0.276 nan 3.960 nan 0.000 0.252 401 G HA3 -0.276 nan 3.960 nan 0.000 0.252 401 G C -1.289 173.799 174.900 0.313 0.000 1.024 401 G CA 0.261 45.478 45.100 0.194 0.000 0.755 401 G HN -0.365 7.991 8.290 0.111 0.000 0.507 402 F N 0.123 120.216 119.950 0.238 0.000 2.529 402 F HA 0.293 nan 4.527 nan 0.000 0.320 402 F C -2.603 173.334 175.800 0.228 0.000 1.118 402 F CA -1.306 56.809 58.000 0.192 0.000 0.915 402 F CB 2.510 41.607 39.000 0.162 0.000 1.161 402 F HN -0.818 7.788 8.300 0.556 0.027 0.445 403 I N 4.251 124.476 120.570 -0.576 0.000 2.530 403 I HA 0.405 nan 4.170 nan 0.000 0.297 403 I C -0.854 174.520 176.117 -1.237 0.000 1.011 403 I CA -4.671 56.227 61.300 -0.670 0.000 1.107 403 I CB 1.165 38.855 38.000 -0.516 0.000 1.285 403 I HN -0.437 7.472 8.210 -0.501 0.000 0.436 404 P HA -0.099 nan 4.420 nan 0.000 0.222 404 P C 0.798 177.846 177.300 -0.419 0.000 1.147 404 P CA 2.180 64.537 63.100 -1.238 0.000 0.790 404 P CB 0.055 30.784 31.700 -1.617 0.000 0.780 405 L N -1.919 119.110 121.223 -0.324 0.000 2.127 405 L HA -0.338 nan 4.340 nan 0.000 0.211 405 L C 1.264 178.162 176.870 0.046 0.000 1.089 405 L CA 3.086 57.867 54.840 -0.098 0.000 0.757 405 L CB -0.352 41.549 42.059 -0.264 0.000 0.899 405 L HN -0.726 7.192 8.230 -0.475 0.027 0.434 406 M N -2.718 116.841 119.600 -0.068 0.000 2.159 406 M HA -0.429 nan 4.480 nan 0.000 0.263 406 M C 1.759 178.206 176.300 0.246 0.000 1.063 406 M CA 4.028 59.361 55.300 0.056 0.000 1.110 406 M CB -0.445 32.190 32.600 0.058 0.000 1.374 406 M HN -0.353 7.747 8.290 -0.273 0.026 0.411 407 W N 0.102 121.510 121.300 0.179 0.000 2.338 407 W HA -0.394 nan 4.660 nan 0.000 0.304 407 W C 1.342 177.962 176.519 0.168 0.000 1.212 407 W CA 4.640 62.144 57.345 0.265 0.000 1.264 407 W CB -0.228 29.512 29.460 0.467 0.000 1.142 407 W HN -0.422 7.878 8.180 0.366 0.099 0.512 408 F N -2.471 117.700 119.950 0.369 0.000 2.186 408 F HA -0.451 nan 4.527 nan 0.000 0.299 408 F C 2.020 177.786 175.800 -0.057 0.000 1.090 408 F CA 4.424 62.535 58.000 0.185 0.000 1.307 408 F CB -0.154 38.985 39.000 0.232 0.000 1.019 408 F HN -0.948 7.780 8.300 0.872 0.095 0.489 409 I N -0.827 119.819 120.570 0.126 0.000 2.163 409 I HA -0.574 nan 4.170 nan 0.000 0.240 409 I C 2.266 178.322 176.117 -0.101 0.000 1.081 409 I CA 4.220 65.507 61.300 -0.022 0.000 1.353 409 I CB -0.130 37.854 38.000 -0.027 0.000 1.054 409 I HN -0.343 7.994 8.210 0.210 0.000 0.407 410 E N 0.095 120.234 120.200 -0.101 0.000 2.204 410 E HA -0.279 nan 4.350 nan 0.000 0.194 410 E C 1.431 177.858 176.600 -0.289 0.000 0.989 410 E CA 2.769 59.076 56.400 -0.156 0.000 0.824 410 E CB -0.371 29.273 29.700 -0.094 0.000 0.756 410 E HN 0.252 8.593 8.360 -0.031 0.000 0.477 411 N N -1.594 116.825 118.700 -0.467 0.000 2.270 411 N HA 0.022 nan 4.740 nan 0.000 0.198 411 N C -0.896 174.215 175.510 -0.665 0.000 1.117 411 N CA -0.172 52.495 53.050 -0.638 0.000 0.845 411 N CB 0.448 38.300 38.487 -1.058 0.000 0.980 411 N HN -0.362 7.722 8.380 -0.461 0.020 0.486 412 N N -1.906 116.534 118.700 -0.433 0.000 2.727 412 N HA -0.383 nan 4.740 nan 0.000 0.251 412 N C -1.611 173.666 175.510 -0.390 0.000 1.040 412 N CA 1.469 54.305 53.050 -0.357 0.000 0.712 412 N CB -0.994 37.300 38.487 -0.322 0.000 0.912 412 N HN -0.321 7.678 8.380 -0.321 0.189 0.545 413 H N -0.835 118.194 119.070 -0.069 0.000 2.736 413 H HA 0.215 nan 4.556 nan 0.000 0.271 413 H C -2.432 172.944 175.328 0.080 0.000 1.184 413 H CA -2.736 53.340 56.048 0.047 0.000 1.378 413 H CB 1.355 31.183 29.762 0.110 0.000 1.428 413 H HN -0.092 8.161 8.280 -0.045 0.000 0.500 414 P HA -0.004 nan 4.420 nan 0.000 0.271 414 P C -1.359 175.709 177.300 -0.386 0.000 1.216 414 P CA -0.496 62.417 63.100 -0.312 0.000 0.776 414 P CB 0.738 32.104 31.700 -0.557 0.000 0.881 415 I N 1.945 122.216 120.570 -0.498 0.000 2.359 415 I HA 0.137 nan 4.170 nan 0.000 0.294 415 I C -0.870 174.932 176.117 -0.524 0.000 0.987 415 I CA -0.429 60.655 61.300 -0.361 0.000 1.225 415 I CB 1.304 39.195 38.000 -0.181 0.000 1.366 415 I HN 0.014 7.893 8.210 -0.552 0.000 0.466 416 Y N 4.600 124.694 120.300 -0.343 0.000 2.562 416 Y HA 0.193 nan 4.550 nan 0.000 0.343 416 Y C -1.542 174.306 175.900 -0.087 0.000 1.025 416 Y CA -2.101 55.801 58.100 -0.331 0.000 1.082 416 Y CB 3.829 41.858 38.460 -0.718 0.000 1.264 416 Y HN 0.721 8.803 8.280 -0.331 0.000 0.478 417 I N 0.522 121.295 120.570 0.337 0.000 2.389 417 I HA 0.228 nan 4.170 nan 0.000 0.288 417 I C -0.719 175.616 176.117 0.363 0.000 0.999 417 I CA -2.245 59.253 61.300 0.330 0.000 1.129 417 I CB 0.617 38.724 38.000 0.179 0.000 1.288 417 I HN 0.203 8.619 8.210 0.343 0.000 0.444 418 D N 7.258 127.899 120.400 0.403 0.000 2.341 418 D HA -0.212 nan 4.640 nan 0.000 0.233 418 D C -0.258 176.029 176.300 -0.022 0.000 1.270 418 D CA 1.587 55.666 54.000 0.131 0.000 0.883 418 D CB 1.102 41.917 40.800 0.026 0.000 1.207 418 D HN -0.271 8.383 8.370 0.473 0.000 0.471 419 R N 1.226 121.623 120.500 -0.172 0.000 2.206 419 R HA 0.153 nan 4.340 nan 0.000 0.198 419 R C 0.476 176.823 176.300 0.080 0.000 0.986 419 R CA 1.268 57.318 56.100 -0.084 0.000 1.029 419 R CB 0.831 30.952 30.300 -0.298 0.000 0.966 419 R HN -0.105 7.946 8.270 -0.366 0.000 0.487 420 V N -1.516 118.436 119.914 0.063 0.000 2.284 420 V HA -0.118 nan 4.120 nan 0.000 0.236 420 V C 1.600 177.695 176.094 0.002 0.000 1.044 420 V CA 2.505 64.760 62.300 -0.076 0.000 1.019 420 V CB -0.063 31.643 31.823 -0.195 0.000 0.657 420 V HN -0.742 7.698 8.190 0.082 -0.200 0.465 421 S N 0.232 115.940 115.700 0.014 0.000 2.453 421 S HA -0.304 nan 4.470 nan 0.000 0.231 421 S C 0.406 174.996 174.600 -0.016 0.000 1.005 421 S CA 2.090 60.289 58.200 -0.001 0.000 0.949 421 S CB 0.824 64.032 63.200 0.014 0.000 0.774 421 S HN -0.449 8.131 8.310 0.035 -0.250 0.510 422 Q N -4.743 115.066 119.800 0.016 0.000 2.374 422 Q HA -0.217 nan 4.340 nan 0.000 0.218 422 Q C -1.026 175.019 176.000 0.074 0.000 0.691 422 Q CA 0.488 56.301 55.803 0.017 0.000 1.340 422 Q CB -2.006 26.692 28.738 -0.066 0.000 1.498 422 Q HN 0.000 8.234 8.270 0.032 0.055 0.739 423 V N 2.600 122.579 119.914 0.109 0.000 2.488 423 V HA 0.114 nan 4.120 nan 0.000 0.277 423 V C -1.932 174.315 176.094 0.256 0.000 1.046 423 V CA -1.629 60.761 62.300 0.150 0.000 0.986 423 V CB -0.389 31.494 31.823 0.100 0.000 0.989 423 V HN -0.681 7.500 8.190 0.081 0.058 0.475 424 P HA 0.377 nan 4.420 nan 0.000 0.268 424 P C -1.956 175.586 177.300 0.402 0.000 1.204 424 P CA 0.323 63.593 63.100 0.283 0.000 0.768 424 P CB 0.122 31.910 31.700 0.147 0.000 0.842 425 F N -0.832 119.217 119.950 0.166 0.000 2.619 425 F HA 0.286 nan 4.527 nan 0.000 0.308 425 F C -2.373 173.563 175.800 0.228 0.000 1.097 425 F CA -2.094 56.014 58.000 0.179 0.000 0.953 425 F CB 2.617 41.719 39.000 0.170 0.000 1.287 425 F HN 0.811 9.214 8.300 0.172 0.000 0.446 426 C N 2.856 122.270 119.300 0.190 0.000 2.621 426 C HA 0.424 nan 4.460 nan 0.000 0.272 426 C C -0.292 174.830 174.990 0.221 0.000 1.119 426 C CA -3.743 55.367 59.018 0.153 0.000 1.593 426 C CB -0.463 27.424 27.740 0.245 0.000 1.749 426 C HN 0.775 9.184 8.230 0.298 0.000 0.420 427 P HA -0.102 nan 4.420 nan 0.000 0.218 427 P C -0.363 177.051 177.300 0.191 0.000 1.149 427 P CA 2.265 65.527 63.100 0.270 0.000 0.817 427 P CB -0.318 31.565 31.700 0.306 0.000 0.785 428 S N -3.069 112.751 115.700 0.200 0.000 2.474 428 S HA -0.151 nan 4.470 nan 0.000 0.235 428 S C 0.699 175.339 174.600 0.067 0.000 0.997 428 S CA 2.287 60.600 58.200 0.188 0.000 0.949 428 S CB -0.234 63.164 63.200 0.331 0.000 0.766 428 S HN 0.141 8.592 8.310 0.235 0.000 0.517 429 L N 0.088 121.298 121.223 -0.020 0.000 2.537 429 L HA 0.076 nan 4.340 nan 0.000 0.224 429 L C -0.559 176.303 176.870 -0.015 0.000 1.065 429 L CA -0.084 54.672 54.840 -0.140 0.000 0.860 429 L CB 1.051 42.995 42.059 -0.192 0.000 1.086 429 L HN -0.509 7.625 8.230 0.080 0.144 0.482 430 A N -1.795 121.054 122.820 0.048 0.000 2.548 430 A HA -0.155 nan 4.320 nan 0.000 0.247 430 A C -0.317 177.195 177.584 -0.119 0.000 1.067 430 A CA 0.851 52.914 52.037 0.043 0.000 0.757 430 A CB 0.038 19.134 19.000 0.158 0.000 0.996 430 A HN -0.574 7.634 8.150 0.096 0.000 0.504 431 K N 4.635 124.845 120.400 -0.317 0.000 2.365 431 K HA -0.188 nan 4.320 nan 0.000 0.199 431 K C 0.636 177.167 176.600 -0.114 0.000 1.045 431 K CA 1.177 57.159 56.287 -0.508 0.000 0.962 431 K CB 0.264 32.050 32.500 -1.191 0.000 0.759 431 K HN 0.037 8.340 8.250 -0.301 -0.233 0.469 432 G N -1.540 107.351 108.800 0.152 0.000 2.666 432 G HA2 -0.026 nan 3.960 nan 0.000 0.207 432 G HA3 -0.026 nan 3.960 nan 0.000 0.207 432 G C -1.019 174.005 174.900 0.208 0.000 1.481 432 G CA -1.470 43.813 45.100 0.305 0.000 1.071 432 G HN -0.708 7.869 8.290 0.137 -0.205 0.572 433 A N 0.128 123.077 122.820 0.216 0.000 2.531 433 A HA -0.051 nan 4.320 nan 0.000 0.236 433 A C 0.181 177.873 177.584 0.181 0.000 1.062 433 A CA 0.906 53.054 52.037 0.185 0.000 0.760 433 A CB 0.460 19.574 19.000 0.189 0.000 0.995 433 A HN 0.275 8.567 8.150 0.237 0.000 0.501 434 S N -0.727 115.065 115.700 0.153 0.000 2.629 434 S HA 0.087 nan 4.470 nan 0.000 0.236 434 S C -0.207 174.486 174.600 0.157 0.000 1.010 434 S CA -0.523 57.772 58.200 0.159 0.000 0.981 434 S CB 0.458 63.727 63.200 0.114 0.000 0.919 434 S HN 0.013 8.401 8.310 0.131 0.000 0.514 435 T N 4.897 119.529 114.554 0.130 0.000 2.946 435 T HA -0.089 nan 4.350 nan 0.000 0.311 435 T C -1.145 173.635 174.700 0.134 0.000 1.063 435 T CA 1.879 64.032 62.100 0.088 0.000 1.139 435 T CB 0.528 69.420 68.868 0.041 0.000 0.994 435 T HN -0.024 8.290 8.240 0.124 0.000 0.547 436 L N 3.779 125.050 121.223 0.081 0.000 2.562 436 L HA 0.434 nan 4.340 nan 0.000 0.266 436 L C -2.193 174.640 176.870 -0.062 0.000 0.949 436 L CA -0.516 54.358 54.840 0.058 0.000 0.879 436 L CB 2.849 44.896 42.059 -0.020 0.000 1.278 436 L HN 0.038 8.292 8.230 0.040 0.000 0.404 437 R N 5.500 125.941 120.500 -0.098 0.000 2.534 437 R HA 0.368 nan 4.340 nan 0.000 0.301 437 R C -1.945 174.163 176.300 -0.320 0.000 0.961 437 R CA -1.431 54.552 56.100 -0.195 0.000 0.871 437 R CB 3.372 33.554 30.300 -0.196 0.000 1.170 437 R HN -0.014 8.228 8.270 -0.046 0.000 0.446 438 V N 3.691 123.352 119.914 -0.421 0.000 2.531 438 V HA 0.554 nan 4.120 nan 0.000 0.301 438 V C -1.019 174.906 176.094 -0.282 0.000 1.034 438 V CA -1.177 60.852 62.300 -0.453 0.000 0.865 438 V CB 1.988 33.402 31.823 -0.681 0.000 0.995 438 V HN 0.311 8.286 8.190 -0.358 0.000 0.424 439 H N 6.177 125.209 119.070 -0.063 0.000 2.797 439 H HA 0.359 nan 4.556 nan 0.000 0.372 439 H C -2.102 173.240 175.328 0.024 0.000 1.168 439 H CA -1.919 54.146 56.048 0.029 0.000 1.163 439 H CB 4.232 34.069 29.762 0.125 0.000 1.778 439 H HN 0.638 8.826 8.280 -0.153 0.000 0.551 440 E N 1.335 121.672 120.200 0.227 0.000 2.222 440 E HA 0.450 nan 4.350 nan 0.000 0.267 440 E C -1.785 175.018 176.600 0.340 0.000 0.884 440 E CA -1.477 55.029 56.400 0.176 0.000 0.764 440 E CB 2.693 32.453 29.700 0.100 0.000 1.169 440 E HN 0.231 8.736 8.360 0.242 0.000 0.413 441 Y N 7.154 127.600 120.300 0.243 0.000 2.401 441 Y HA 0.174 nan 4.550 nan 0.000 0.330 441 Y C -1.271 174.781 175.900 0.253 0.000 1.071 441 Y CA 0.229 58.514 58.100 0.309 0.000 1.049 441 Y CB 2.803 41.607 38.460 0.572 0.000 1.239 441 Y HN 0.879 9.365 8.280 0.344 0.000 0.437 442 N N 8.069 126.609 118.700 -0.267 0.000 2.721 442 N HA -0.361 nan 4.740 nan 0.000 0.249 442 N C -0.118 175.378 175.510 -0.023 0.000 1.072 442 N CA 0.618 53.544 53.050 -0.208 0.000 0.710 442 N CB -0.597 37.725 38.487 -0.276 0.000 0.993 442 N HN 0.783 8.953 8.380 -0.351 0.000 0.547 443 G N -7.003 101.802 108.800 0.008 0.000 2.157 443 G HA2 -0.423 nan 3.960 nan 0.000 0.248 443 G HA3 -0.423 nan 3.960 nan 0.000 0.248 443 G C -1.394 173.518 174.900 0.021 0.000 0.979 443 G CA -0.130 44.980 45.100 0.017 0.000 0.650 443 G HN 0.003 8.284 8.290 0.009 0.015 0.529 444 E N -0.057 120.164 120.200 0.034 0.000 2.293 444 E HA 0.330 nan 4.350 nan 0.000 0.270 444 E C -1.698 174.744 176.600 -0.262 0.000 0.879 444 E CA -1.856 54.497 56.400 -0.077 0.000 0.756 444 E CB 2.838 32.533 29.700 -0.008 0.000 1.208 444 E HN -0.262 7.994 8.360 0.097 0.162 0.428 445 M N 3.079 122.468 119.600 -0.351 0.000 2.367 445 M HA 0.535 nan 4.480 nan 0.000 0.339 445 M C -1.024 174.843 176.300 -0.723 0.000 1.177 445 M CA -0.214 54.848 55.300 -0.395 0.000 1.068 445 M CB 2.806 35.300 32.600 -0.178 0.000 1.602 445 M HN 0.501 8.638 8.290 -0.254 0.000 0.457 446 H N 0.782 119.674 119.070 -0.297 0.000 2.759 446 H HA 0.409 nan 4.556 nan 0.000 0.354 446 H C -1.635 173.200 175.328 -0.820 0.000 1.074 446 H CA -0.935 54.750 56.048 -0.604 0.000 1.226 446 H CB 3.736 32.963 29.762 -0.891 0.000 1.648 446 H HN 0.586 8.678 8.280 -0.313 0.000 0.529 447 T N 5.494 119.595 114.554 -0.753 0.000 2.767 447 T HA 0.538 nan 4.350 nan 0.000 0.284 447 T C -1.885 172.322 174.700 -0.823 0.000 0.973 447 T CA 0.148 61.876 62.100 -0.621 0.000 0.996 447 T CB 0.664 69.393 68.868 -0.231 0.000 0.927 447 T HN 0.500 8.390 8.240 -0.584 0.000 0.456 448 F N 4.805 124.680 119.950 -0.125 0.000 2.593 448 F HA 0.493 nan 4.527 nan 0.000 0.320 448 F C -0.292 175.337 175.800 -0.284 0.000 1.060 448 F CA -2.288 55.602 58.000 -0.183 0.000 0.940 448 F CB 3.917 42.789 39.000 -0.214 0.000 1.268 448 F HN 0.761 8.932 8.300 -0.216 0.000 0.475 449 S N -1.416 114.106 115.700 -0.297 0.000 2.666 449 S HA 0.106 nan 4.470 nan 0.000 0.239 449 S C -1.154 173.349 174.600 -0.163 0.000 1.031 449 S CA -0.559 57.298 58.200 -0.572 0.000 1.015 449 S CB 1.361 63.746 63.200 -1.357 0.000 0.981 449 S HN 0.577 8.809 8.310 -0.130 0.000 0.547 450 D N -2.172 118.203 120.400 -0.042 0.000 2.671 450 D HA 0.107 nan 4.640 nan 0.000 0.273 450 D C -0.914 175.293 176.300 -0.155 0.000 1.264 450 D CA -0.217 53.772 54.000 -0.019 0.000 0.788 450 D CB 2.533 43.449 40.800 0.192 0.000 1.324 450 D HN -0.680 7.679 8.370 -0.018 0.000 0.424 451 Q N -2.049 117.530 119.800 -0.368 0.000 2.392 451 Q HA 0.072 nan 4.340 nan 0.000 0.203 451 Q C 1.834 177.480 176.000 -0.591 0.000 0.917 451 Q CA 0.765 56.278 55.803 -0.483 0.000 0.939 451 Q CB -0.652 27.755 28.738 -0.552 0.000 1.063 451 Q HN 0.499 8.500 8.270 -0.448 0.000 0.516 452 W N 1.269 122.313 121.300 -0.427 0.000 2.407 452 W HA -0.166 nan 4.660 nan 0.000 0.305 452 W C 1.895 178.257 176.519 -0.262 0.000 1.196 452 W CA 2.719 59.777 57.345 -0.478 0.000 1.311 452 W CB -0.313 28.477 29.460 -1.118 0.000 1.135 452 W HN -0.548 7.244 8.180 -0.782 -0.081 0.514 453 G N -2.350 106.468 108.800 0.030 0.000 2.408 453 G HA2 -0.377 nan 3.960 nan 0.000 0.217 453 G HA3 -0.377 nan 3.960 nan 0.000 0.217 453 G C 0.463 175.307 174.900 -0.094 0.000 1.150 453 G CA 1.636 46.771 45.100 0.058 0.000 0.776 453 G HN 0.221 8.892 8.290 0.017 -0.370 0.542 454 E N 1.752 121.801 120.200 -0.252 0.000 2.077 454 E HA -0.352 nan 4.350 nan 0.000 0.193 454 E C 1.635 178.021 176.600 -0.357 0.000 0.989 454 E CA 2.978 58.995 56.400 -0.638 0.000 0.800 454 E CB -0.094 29.291 29.700 -0.526 0.000 0.746 454 E HN -0.551 7.698 8.360 -0.185 0.000 0.452 455 R N -1.074 119.301 120.500 -0.208 0.000 2.081 455 R HA -0.295 nan 4.340 nan 0.000 0.235 455 R C 2.505 178.775 176.300 -0.049 0.000 1.131 455 R CA 3.154 59.184 56.100 -0.117 0.000 0.960 455 R CB -0.235 30.012 30.300 -0.088 0.000 0.856 455 R HN -0.608 7.529 8.270 -0.221 0.000 0.436 456 M N -1.299 118.293 119.600 -0.013 0.000 2.117 456 M HA -0.432 nan 4.480 nan 0.000 0.262 456 M C 2.191 178.529 176.300 0.062 0.000 1.065 456 M CA 3.958 59.287 55.300 0.048 0.000 1.114 456 M CB -0.199 32.404 32.600 0.005 0.000 1.361 456 M HN -0.379 7.896 8.290 -0.025 0.000 0.408 457 W N -0.874 120.332 121.300 -0.155 0.000 2.379 457 W HA -0.350 nan 4.660 nan 0.000 0.307 457 W C 1.223 177.687 176.519 -0.090 0.000 1.200 457 W CA 3.447 60.766 57.345 -0.044 0.000 1.297 457 W CB -0.034 29.396 29.460 -0.049 0.000 1.140 457 W HN -0.442 7.750 8.180 0.020 0.000 0.507 458 L N -2.440 118.745 121.223 -0.063 0.000 2.046 458 L HA -0.302 nan 4.340 nan 0.000 0.208 458 L C 1.671 178.365 176.870 -0.292 0.000 1.077 458 L CA 2.056 56.777 54.840 -0.199 0.000 0.747 458 L CB -0.175 41.842 42.059 -0.071 0.000 0.896 458 L HN -0.414 7.829 8.230 0.022 0.000 0.432 459 A N -2.902 119.811 122.820 -0.178 0.000 2.021 459 A HA -0.048 nan 4.320 nan 0.000 0.216 459 A C 0.757 178.242 177.584 -0.164 0.000 1.163 459 A CA 1.564 53.519 52.037 -0.137 0.000 0.676 459 A CB 0.877 19.845 19.000 -0.052 0.000 0.818 459 A HN -0.255 7.824 8.150 -0.118 0.000 0.453 460 E N -2.174 117.920 120.200 -0.176 0.000 4.052 460 E HA 0.470 nan 4.350 nan 0.000 0.219 460 E C -1.877 174.564 176.600 -0.265 0.000 1.166 460 E CA -2.962 53.350 56.400 -0.147 0.000 1.338 460 E CB -0.023 29.687 29.700 0.017 0.000 1.212 460 E HN -0.509 7.649 8.360 -0.171 0.099 0.432 461 P HA -0.220 nan 4.420 nan 0.000 0.216 461 P C 0.528 177.633 177.300 -0.324 0.000 1.150 461 P CA 2.744 65.306 63.100 -0.898 0.000 0.837 461 P CB -0.201 30.811 31.700 -1.147 0.000 0.786 462 E N -1.452 118.618 120.200 -0.217 0.000 2.418 462 E HA -0.196 nan 4.350 nan 0.000 0.197 462 E C 0.722 177.236 176.600 -0.144 0.000 1.026 462 E CA 1.415 57.749 56.400 -0.110 0.000 0.862 462 E CB -1.699 27.949 29.700 -0.088 0.000 0.799 462 E HN 0.478 8.664 8.360 -0.250 0.024 0.518 463 R N -2.061 118.278 120.500 -0.268 0.000 2.200 463 R HA -0.100 nan 4.340 nan 0.000 0.208 463 R C 0.614 176.542 176.300 -0.619 0.000 1.033 463 R CA 1.173 56.973 56.100 -0.500 0.000 1.000 463 R CB 0.901 30.726 30.300 -0.792 0.000 0.906 463 R HN -0.521 7.438 8.270 -0.262 0.154 0.462 464 Y N -0.955 119.384 120.300 0.065 0.000 2.748 464 Y HA 0.148 nan 4.550 nan 0.000 0.359 464 Y C -1.940 174.103 175.900 0.238 0.000 1.030 464 Y CA -1.407 56.797 58.100 0.173 0.000 1.169 464 Y CB -0.494 38.157 38.460 0.319 0.000 1.127 464 Y HN -0.591 7.505 8.280 -0.038 0.162 0.644 465 E N -0.144 120.200 120.200 0.240 0.000 2.734 465 E HA 0.112 nan 4.350 nan 0.000 0.211 465 E C -1.005 175.689 176.600 0.157 0.000 0.991 465 E CA -0.987 55.547 56.400 0.222 0.000 1.065 465 E CB 0.417 30.209 29.700 0.153 0.000 1.047 465 E HN 0.123 8.573 8.360 0.150 0.000 0.470 466 C N 1.990 121.374 119.300 0.141 0.000 2.629 466 C HA 0.058 nan 4.460 nan 0.000 0.410 466 C C -0.133 174.885 174.990 0.046 0.000 1.339 466 C CA 0.014 59.071 59.018 0.065 0.000 1.810 466 C CB 0.154 27.918 27.740 0.039 0.000 2.549 466 C HN 0.136 8.483 8.230 0.194 0.000 0.589 467 Q N 6.534 126.339 119.800 0.009 0.000 2.332 467 Q HA 0.000 nan 4.340 nan 0.000 0.263 467 Q C -1.213 174.738 176.000 -0.081 0.000 0.979 467 Q CA 0.614 56.404 55.803 -0.022 0.000 0.885 467 Q CB 0.958 29.672 28.738 -0.040 0.000 1.218 467 Q HN 0.328 8.599 8.270 0.002 0.000 0.405 468 N N 0.786 119.427 118.700 -0.098 0.000 2.502 468 N HA 0.182 nan 4.740 nan 0.000 0.280 468 N C 0.869 176.165 175.510 -0.357 0.000 1.223 468 N CA -1.769 51.176 53.050 -0.174 0.000 0.966 468 N CB 1.205 39.645 38.487 -0.079 0.000 1.203 468 N HN 0.107 8.737 8.380 -0.069 -0.292 0.565 469 I N -0.127 120.109 120.570 -0.557 0.000 2.208 469 I HA -0.378 nan 4.170 nan 0.000 0.245 469 I C 1.415 176.957 176.117 -0.958 0.000 1.097 469 I CA 3.946 64.646 61.300 -1.000 0.000 1.363 469 I CB 0.269 37.729 38.000 -0.901 0.000 1.051 469 I HN 0.267 8.201 8.210 -0.460 0.000 0.413 470 F N -2.149 117.598 119.950 -0.339 0.000 2.259 470 F HA -0.337 nan 4.527 nan 0.000 0.298 470 F C 2.345 178.044 175.800 -0.168 0.000 1.088 470 F CA 3.008 60.893 58.000 -0.192 0.000 1.358 470 F CB -0.783 38.182 39.000 -0.058 0.000 1.040 470 F HN -0.356 7.876 8.300 -0.448 -0.202 0.505 471 E N -0.909 119.283 120.200 -0.013 0.000 2.072 471 E HA -0.335 nan 4.350 nan 0.000 0.191 471 E C 1.779 178.329 176.600 -0.084 0.000 0.985 471 E CA 2.507 58.891 56.400 -0.028 0.000 0.801 471 E CB -0.303 29.380 29.700 -0.028 0.000 0.750 471 E HN -0.541 8.063 8.360 -0.035 -0.265 0.452 472 Q N -1.509 118.158 119.800 -0.221 0.000 2.049 472 Q HA -0.190 nan 4.340 nan 0.000 0.198 472 Q C 1.907 177.875 176.000 -0.053 0.000 0.971 472 Q CA 2.208 57.903 55.803 -0.182 0.000 0.833 472 Q CB 0.345 28.898 28.738 -0.309 0.000 0.896 472 Q HN -0.182 7.890 8.270 -0.331 0.000 0.434 473 Y N -4.326 115.816 120.300 -0.262 0.000 2.490 473 Y HA 0.148 nan 4.550 nan 0.000 0.281 473 Y C -0.910 174.945 175.900 -0.075 0.000 1.174 473 Y CA -2.389 55.522 58.100 -0.315 0.000 1.295 473 Y CB -0.783 37.110 38.460 -0.945 0.000 1.062 473 Y HN 0.018 7.951 8.280 -0.578 0.000 0.522 474 E N 0.583 120.852 120.200 0.115 0.000 2.652 474 E HA -0.504 nan 4.350 nan 0.000 0.255 474 E C 0.948 177.629 176.600 0.135 0.000 0.952 474 E CA 1.780 58.271 56.400 0.152 0.000 0.947 474 E CB -0.142 29.610 29.700 0.088 0.000 0.912 474 E HN -0.597 7.729 8.360 0.039 0.057 0.489 475 G N 6.901 115.791 108.800 0.150 0.000 2.162 475 G HA2 -0.540 nan 3.960 nan 0.000 0.260 475 G HA3 -0.540 nan 3.960 nan 0.000 0.260 475 G C -1.125 173.841 174.900 0.110 0.000 0.976 475 G CA 0.239 45.399 45.100 0.100 0.000 0.655 475 G HN 0.777 9.075 8.290 0.187 0.104 0.533 476 R N -0.264 120.346 120.500 0.183 0.000 2.532 476 R HA 0.209 nan 4.340 nan 0.000 0.295 476 R C -1.149 175.257 176.300 0.177 0.000 0.968 476 R CA -1.621 54.566 56.100 0.145 0.000 0.916 476 R CB 1.958 32.322 30.300 0.107 0.000 1.124 476 R HN 0.025 8.411 8.270 0.271 0.047 0.463 477 E N 2.978 123.217 120.200 0.065 0.000 2.316 477 E HA 0.023 nan 4.350 nan 0.000 0.275 477 E C 0.942 177.545 176.600 0.006 0.000 1.029 477 E CA -0.290 56.115 56.400 0.009 0.000 0.871 477 E CB 0.668 30.358 29.700 -0.017 0.000 1.022 477 E HN 0.465 8.848 8.360 0.039 0.000 0.418 478 L N 7.054 128.247 121.223 -0.051 0.000 2.010 478 L HA -0.451 nan 4.340 nan 0.000 0.219 478 L C 1.228 178.046 176.870 -0.086 0.000 1.077 478 L CA 3.758 58.561 54.840 -0.063 0.000 0.773 478 L CB 0.023 41.951 42.059 -0.218 0.000 0.892 478 L HN 0.687 8.843 8.230 -0.124 0.000 0.436 479 S N -3.502 112.144 115.700 -0.090 0.000 2.447 479 S HA -0.310 nan 4.470 nan 0.000 0.233 479 S C 2.290 176.838 174.600 -0.087 0.000 1.006 479 S CA 2.639 60.788 58.200 -0.085 0.000 0.957 479 S CB -0.186 62.980 63.200 -0.056 0.000 0.773 479 S HN -0.318 8.254 8.310 -0.082 -0.312 0.507 480 E N 1.683 121.835 120.200 -0.079 0.000 2.107 480 E HA -0.229 nan 4.350 nan 0.000 0.191 480 E C 2.176 178.695 176.600 -0.135 0.000 0.982 480 E CA 3.014 59.363 56.400 -0.086 0.000 0.809 480 E CB -0.053 29.610 29.700 -0.062 0.000 0.756 480 E HN -0.401 7.886 8.360 -0.065 0.034 0.459 481 V N 1.136 120.941 119.914 -0.181 0.000 2.295 481 V HA -0.340 nan 4.120 nan 0.000 0.246 481 V C 2.056 177.986 176.094 -0.274 0.000 1.049 481 V CA 4.055 66.163 62.300 -0.320 0.000 1.024 481 V CB -0.690 30.811 31.823 -0.536 0.000 0.648 481 V HN -0.718 7.388 8.190 -0.139 0.000 0.447 482 I N -1.532 118.911 120.570 -0.211 0.000 2.179 482 I HA -0.591 nan 4.170 nan 0.000 0.242 482 I C 1.605 177.632 176.117 -0.149 0.000 1.088 482 I CA 4.422 65.621 61.300 -0.169 0.000 1.357 482 I CB -0.631 37.285 38.000 -0.140 0.000 1.051 482 I HN -0.371 7.726 8.210 -0.189 0.000 0.409 483 A N -1.295 121.445 122.820 -0.133 0.000 1.858 483 A HA -0.362 nan 4.320 nan 0.000 0.216 483 A C 2.273 179.736 177.584 -0.201 0.000 1.190 483 A CA 3.290 55.254 52.037 -0.122 0.000 0.617 483 A CB -1.183 17.763 19.000 -0.089 0.000 0.827 483 A HN 0.131 8.099 8.150 -0.124 0.108 0.443 484 E N -0.289 119.783 120.200 -0.213 0.000 2.085 484 E HA -0.263 nan 4.350 nan 0.000 0.194 484 E C 1.606 177.936 176.600 -0.451 0.000 0.994 484 E CA 2.453 58.691 56.400 -0.270 0.000 0.801 484 E CB 0.212 29.796 29.700 -0.194 0.000 0.743 484 E HN -0.466 7.787 8.360 -0.179 0.000 0.453 485 L N -3.846 117.164 121.223 -0.355 0.000 2.653 485 L HA 0.097 nan 4.340 nan 0.000 0.232 485 L C -1.237 175.489 176.870 -0.240 0.000 1.169 485 L CA -0.525 54.128 54.840 -0.312 0.000 0.951 485 L CB -0.206 41.753 42.059 -0.165 0.000 1.181 485 L HN -0.599 7.457 8.230 -0.272 0.011 0.460 486 H N -5.158 113.879 119.070 -0.055 0.000 2.770 486 H HA -0.285 nan 4.556 nan 0.000 0.309 486 H C 0.980 176.282 175.328 -0.043 0.000 1.206 486 H CA 0.654 56.676 56.048 -0.044 0.000 1.147 486 H CB -2.900 26.837 29.762 -0.040 0.000 1.422 486 H HN -0.345 7.425 8.280 -0.520 0.198 0.420 487 G N -1.064 107.734 108.800 -0.003 0.000 3.452 487 G HA2 -0.034 nan 3.960 nan 0.000 0.258 487 G HA3 -0.034 nan 3.960 nan 0.000 0.258 487 G C -2.310 172.596 174.900 0.010 0.000 1.305 487 G CA 0.133 45.230 45.100 -0.005 0.000 1.514 487 G HN 0.410 8.663 8.290 -0.062 0.000 0.593 488 L N -1.184 120.060 121.223 0.035 0.000 2.333 488 L HA 0.595 nan 4.340 nan 0.000 0.263 488 L C -0.946 175.947 176.870 0.039 0.000 1.014 488 L CA -2.061 52.799 54.840 0.034 0.000 0.820 488 L CB 3.394 45.473 42.059 0.033 0.000 1.352 488 L HN -0.557 7.638 8.230 0.057 0.070 0.421 489 R N -0.274 120.248 120.500 0.036 0.000 2.637 489 R HA 0.180 nan 4.340 nan 0.000 0.269 489 R C -0.215 176.103 176.300 0.029 0.000 1.089 489 R CA -0.191 55.929 56.100 0.033 0.000 1.177 489 R CB 1.153 31.474 30.300 0.034 0.000 1.091 489 R HN 0.618 8.911 8.270 0.038 0.000 0.540 490 S N 1.001 116.715 115.700 0.023 0.000 2.549 490 S HA -0.199 nan 4.470 nan 0.000 0.286 490 S C 0.001 174.612 174.600 0.019 0.000 1.314 490 S CA 1.224 59.434 58.200 0.018 0.000 1.062 490 S CB 0.257 63.464 63.200 0.012 0.000 0.865 490 S HN 0.447 8.771 8.310 0.023 0.000 0.498 491 D N 0.602 121.013 120.400 0.018 0.000 2.316 491 D HA -0.121 nan 4.640 nan 0.000 0.205 491 D C 0.006 176.318 176.300 0.019 0.000 0.803 491 D CA 0.167 54.178 54.000 0.018 0.000 0.961 491 D CB -0.887 39.925 40.800 0.020 0.000 1.426 491 D HN 0.144 8.524 8.370 0.017 0.000 0.654 492 G N 0.579 109.393 108.800 0.023 0.000 2.160 492 G HA2 -0.457 nan 3.960 nan 0.000 0.251 492 G HA3 -0.457 nan 3.960 nan 0.000 0.251 492 G C -0.382 174.532 174.900 0.023 0.000 1.008 492 G CA 0.739 45.854 45.100 0.024 0.000 0.724 492 G HN -0.224 8.005 8.290 0.025 0.076 0.514 493 K N -2.961 117.456 120.400 0.028 0.000 2.757 493 K HA 0.292 nan 4.320 nan 0.000 0.201 493 K C -0.394 176.234 176.600 0.047 0.000 1.495 493 K CA 0.715 57.022 56.287 0.032 0.000 1.090 493 K CB 1.902 34.419 32.500 0.028 0.000 1.796 493 K HN 0.136 8.702 8.250 0.030 -0.297 0.523 494 T N 4.334 118.919 114.554 0.052 0.000 2.916 494 T HA -0.023 nan 4.350 nan 0.000 0.303 494 T C -0.456 174.286 174.700 0.071 0.000 1.025 494 T CA 1.309 63.453 62.100 0.073 0.000 1.142 494 T CB 0.166 69.071 68.868 0.062 0.000 0.947 494 T HN -0.413 8.264 8.240 0.043 -0.410 0.544 495 L N 3.005 124.288 121.223 0.099 0.000 2.464 495 L HA 0.097 nan 4.340 nan 0.000 0.264 495 L C 1.253 178.154 176.870 0.051 0.000 1.199 495 L CA 0.646 55.532 54.840 0.076 0.000 0.818 495 L CB 0.235 42.365 42.059 0.119 0.000 1.102 495 L HN 0.176 8.493 8.230 0.145 0.000 0.473 496 I N 0.916 121.500 120.570 0.023 0.000 2.277 496 I HA -0.280 nan 4.170 nan 0.000 0.243 496 I C 0.020 176.117 176.117 -0.034 0.000 1.094 496 I CA 2.954 64.258 61.300 0.007 0.000 1.393 496 I CB 0.146 38.161 38.000 0.024 0.000 1.078 496 I HN -0.282 7.936 8.210 0.012 0.000 0.417 497 A N -2.072 120.716 122.820 -0.054 0.000 2.498 497 A HA -0.139 nan 4.320 nan 0.000 0.239 497 A C -0.985 176.603 177.584 0.006 0.000 1.068 497 A CA 0.401 52.390 52.037 -0.079 0.000 0.766 497 A CB 0.211 19.157 19.000 -0.090 0.000 1.003 497 A HN -0.022 8.103 8.150 -0.042 0.000 0.497 498 Q N -0.491 119.174 119.800 -0.225 0.000 2.418 498 Q HA 0.453 nan 4.340 nan 0.000 0.282 498 Q C -2.267 173.119 176.000 -1.023 0.000 1.044 498 Q CA -3.099 52.303 55.803 -0.669 0.000 0.813 498 Q CB 2.659 31.074 28.738 -0.538 0.000 1.428 498 Q HN -0.471 7.664 8.270 -0.224 0.000 0.402 499 P HA 0.185 nan 4.420 nan 0.000 0.261 499 P C -2.244 174.900 177.300 -0.259 0.000 1.352 499 P CA 0.686 63.068 63.100 -1.196 0.000 0.891 499 P CB 0.476 31.040 31.700 -1.892 0.000 1.383 500 H N -5.900 113.035 119.070 -0.225 0.000 2.966 500 H HA 0.164 nan 4.556 nan 0.000 0.330 500 H C -2.526 172.789 175.328 -0.020 0.000 1.292 500 H CA -1.575 54.456 56.048 -0.027 0.000 1.127 500 H CB 1.328 31.101 29.762 0.019 0.000 1.863 500 H HN -0.982 6.819 8.280 -0.649 0.089 0.543 501 V N -0.622 119.369 119.914 0.128 0.000 3.214 501 V HA 0.144 nan 4.120 nan 0.000 0.330 501 V C -0.623 175.534 176.094 0.105 0.000 1.403 501 V CA -0.741 61.595 62.300 0.060 0.000 1.143 501 V CB 0.188 32.062 31.823 0.085 0.000 1.098 501 V HN 0.422 8.743 8.190 0.218 0.000 0.463 502 R N 0.825 121.486 120.500 0.268 0.000 2.543 502 R HA 0.215 nan 4.340 nan 0.000 0.268 502 R C 1.460 177.862 176.300 0.171 0.000 1.067 502 R CA -0.286 55.939 56.100 0.209 0.000 1.142 502 R CB 0.976 31.392 30.300 0.192 0.000 1.110 502 R HN -0.801 7.703 8.270 0.513 0.075 0.549 503 G N -0.551 108.311 108.800 0.104 0.000 2.813 503 G HA2 -0.087 nan 3.960 nan 0.000 0.209 503 G HA3 -0.087 nan 3.960 nan 0.000 0.209 503 G C -0.675 174.280 174.900 0.091 0.000 1.150 503 G CA -0.021 45.126 45.100 0.079 0.000 0.785 503 G HN 0.366 8.704 8.290 0.080 0.000 0.535 504 D N -0.796 119.671 120.400 0.111 0.000 2.374 504 D HA 0.151 nan 4.640 nan 0.000 0.239 504 D C -1.075 175.305 176.300 0.132 0.000 0.991 504 D CA -0.828 53.224 54.000 0.087 0.000 0.960 504 D CB 1.744 42.568 40.800 0.040 0.000 1.284 504 D HN -0.630 7.771 8.370 0.133 0.049 0.512 505 K N -2.501 117.950 120.400 0.084 0.000 3.419 505 K HA -0.353 nan 4.320 nan 0.000 0.272 505 K C -1.649 175.085 176.600 0.222 0.000 0.973 505 K CA 0.341 56.671 56.287 0.071 0.000 0.749 505 K CB -1.511 30.980 32.500 -0.016 0.000 1.403 505 K HN 0.217 8.498 8.250 0.051 0.000 0.456 506 L N -2.824 118.506 121.223 0.179 0.000 2.375 506 L HA 0.027 nan 4.340 nan 0.000 0.271 506 L C 1.129 178.130 176.870 0.217 0.000 1.107 506 L CA -0.555 54.410 54.840 0.209 0.000 0.806 506 L CB 0.317 42.444 42.059 0.113 0.000 1.146 506 L HN -0.374 7.922 8.230 0.111 0.000 0.447 507 W N 1.627 122.949 121.300 0.037 0.000 2.595 507 W HA -0.230 nan 4.660 nan 0.000 0.257 507 W C -0.718 175.855 176.519 0.089 0.000 1.267 507 W CA 1.796 59.199 57.345 0.095 0.000 1.300 507 W CB 0.424 30.002 29.460 0.196 0.000 1.120 507 W HN 0.246 9.124 8.180 0.507 -0.393 0.618 508 T N -1.701 112.988 114.554 0.226 0.000 0.541 508 T HA -0.400 nan 4.350 nan 0.000 0.774 508 T C 1.037 175.824 174.700 0.144 0.000 0.992 508 T CA 0.971 63.154 62.100 0.138 0.000 4.077 508 T CB 0.414 69.325 68.868 0.070 0.000 2.303 508 T HN -0.674 7.680 8.240 0.189 0.000 0.398 509 L N 3.310 124.583 121.223 0.083 0.000 2.046 509 L HA -0.344 nan 4.340 nan 0.000 0.208 509 L C 0.695 177.593 176.870 0.045 0.000 1.077 509 L CA 4.271 59.142 54.840 0.052 0.000 0.747 509 L CB -0.191 41.881 42.059 0.021 0.000 0.896 509 L HN 0.357 8.627 8.230 0.067 0.000 0.432 510 D N -2.976 117.446 120.400 0.036 0.000 2.178 510 D HA -0.322 nan 4.640 nan 0.000 0.201 510 D C 2.098 178.418 176.300 0.032 0.000 0.980 510 D CA 3.646 57.659 54.000 0.022 0.000 0.842 510 D CB -1.097 39.708 40.800 0.008 0.000 0.948 510 D HN 0.240 8.632 8.370 0.035 0.000 0.472 511 D N -0.543 119.891 120.400 0.057 0.000 2.144 511 D HA -0.193 nan 4.640 nan 0.000 0.200 511 D C 1.759 178.162 176.300 0.172 0.000 0.978 511 D CA 2.744 56.784 54.000 0.066 0.000 0.833 511 D CB -0.268 40.547 40.800 0.025 0.000 0.961 511 D HN -0.631 7.658 8.370 0.073 0.124 0.470 512 I N -1.132 119.549 120.570 0.185 0.000 2.333 512 I HA -0.231 nan 4.170 nan 0.000 0.246 512 I C 1.762 177.895 176.117 0.027 0.000 1.106 512 I CA 0.872 62.236 61.300 0.107 0.000 1.411 512 I CB 0.206 38.206 38.000 0.001 0.000 1.082 512 I HN -0.717 7.518 8.210 0.176 0.081 0.420 513 K N 0.746 121.156 120.400 0.017 0.000 2.063 513 K HA -0.371 nan 4.320 nan 0.000 0.208 513 K C 2.521 179.120 176.600 -0.002 0.000 1.048 513 K CA 3.552 59.836 56.287 -0.006 0.000 0.928 513 K CB -0.242 32.255 32.500 -0.005 0.000 0.713 513 K HN 0.075 8.344 8.250 0.031 0.000 0.442 514 R N -1.799 118.708 120.500 0.013 0.000 2.211 514 R HA -0.249 nan 4.340 nan 0.000 0.240 514 R C 1.946 178.254 176.300 0.013 0.000 1.144 514 R CA 2.578 58.684 56.100 0.011 0.000 0.992 514 R CB -0.218 30.090 30.300 0.013 0.000 0.869 514 R HN -0.289 7.994 8.270 0.021 0.000 0.462 515 L N -5.056 116.178 121.223 0.017 0.000 2.492 515 L HA -0.005 nan 4.340 nan 0.000 0.223 515 L C 0.250 177.105 176.870 -0.026 0.000 1.132 515 L CA -0.453 54.392 54.840 0.008 0.000 0.850 515 L CB -0.458 41.603 42.059 0.004 0.000 0.966 515 L HN -0.659 7.424 8.230 0.022 0.160 0.454 516 N N -0.828 117.851 118.700 -0.035 0.000 2.702 516 N HA -0.432 nan 4.740 nan 0.000 0.261 516 N C -0.773 174.690 175.510 -0.078 0.000 0.965 516 N CA 0.846 53.867 53.050 -0.049 0.000 0.795 516 N CB -0.326 38.142 38.487 -0.032 0.000 0.909 516 N HN -0.442 7.754 8.380 -0.025 0.169 0.546 517 C N 0.863 120.091 119.300 -0.120 0.000 2.373 517 C HA 0.127 nan 4.460 nan 0.000 0.354 517 C C -1.460 173.399 174.990 -0.219 0.000 1.249 517 C CA -0.110 58.793 59.018 -0.192 0.000 1.784 517 C CB -0.507 27.077 27.740 -0.261 0.000 2.408 517 C HN 0.264 8.421 8.230 -0.116 0.003 0.542 518 V N 8.258 128.061 119.914 -0.185 0.000 2.448 518 V HA 0.573 nan 4.120 nan 0.000 0.295 518 V C -0.228 175.803 176.094 -0.105 0.000 1.025 518 V CA -1.579 60.660 62.300 -0.101 0.000 0.859 518 V CB 1.675 33.480 31.823 -0.031 0.000 0.988 518 V HN 0.371 8.459 8.190 -0.170 0.000 0.431 519 F N 7.197 127.166 119.950 0.032 0.000 2.518 519 F HA -0.029 nan 4.527 nan 0.000 0.359 519 F C -0.911 174.919 175.800 0.051 0.000 1.118 519 F CA 1.193 59.247 58.000 0.090 0.000 1.287 519 F CB 1.201 40.318 39.000 0.196 0.000 1.132 519 F HN 0.455 8.948 8.300 0.321 0.000 0.587 520 K N 2.762 123.276 120.400 0.191 0.000 2.371 520 K HA 0.164 nan 4.320 nan 0.000 0.251 520 K C -1.527 175.058 176.600 -0.024 0.000 0.934 520 K CA -1.654 54.658 56.287 0.041 0.000 0.798 520 K CB 2.995 35.458 32.500 -0.063 0.000 1.204 520 K HN -0.045 8.330 8.250 0.208 0.000 0.427 521 N N 4.095 122.781 118.700 -0.024 0.000 2.408 521 N HA 0.298 nan 4.740 nan 0.000 0.257 521 N C -0.105 175.306 175.510 -0.165 0.000 1.064 521 N CA -3.424 49.593 53.050 -0.055 0.000 0.952 521 N CB 0.125 38.624 38.487 0.020 0.000 1.093 521 N HN 0.432 8.807 8.380 -0.007 0.000 0.490 522 P HA -0.262 nan 4.420 nan 0.000 0.218 522 P C 1.194 178.469 177.300 -0.040 0.000 1.148 522 P CA 2.058 64.959 63.100 -0.332 0.000 0.822 522 P CB 0.204 31.500 31.700 -0.674 0.000 0.784 523 V N -0.633 119.351 119.914 0.115 0.000 2.759 523 V HA -0.309 nan 4.120 nan 0.000 0.256 523 V C 1.962 178.184 176.094 0.213 0.000 1.080 523 V CA 3.244 65.736 62.300 0.320 0.000 1.101 523 V CB -0.532 31.392 31.823 0.168 0.000 0.698 523 V HN -0.399 8.023 8.190 0.038 -0.208 0.477 524 K N -0.209 120.216 120.400 0.041 0.000 2.589 524 K HA -0.136 nan 4.320 nan 0.000 0.192 524 K C 0.533 177.087 176.600 -0.076 0.000 1.029 524 K CA 0.815 57.102 56.287 -0.001 0.000 1.031 524 K CB -1.254 31.232 32.500 -0.023 0.000 0.821 524 K HN -0.081 8.012 8.250 -0.003 0.155 0.502 525 A N -2.759 119.941 122.820 -0.200 0.000 2.307 525 A HA 0.086 nan 4.320 nan 0.000 0.218 525 A C -0.803 176.487 177.584 -0.490 0.000 1.228 525 A CA 0.660 52.476 52.037 -0.367 0.000 0.857 525 A CB 0.421 19.115 19.000 -0.510 0.000 0.897 525 A HN -0.449 7.503 8.150 -0.188 0.086 0.495 526 F N 0.000 119.945 119.950 -0.008 0.000 2.286 526 F HA 0.000 nan 4.527 nan 0.000 0.279 526 F CA 0.000 57.999 58.000 -0.002 0.000 1.383 526 F CB 0.000 39.001 39.000 0.001 0.000 1.145 526 F HN 0.000 8.254 8.300 0.047 0.074 0.574