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 3mvw_1_A DATA FIRST_RESID 2 DATA SEQUENCE APDEITTAWP VNVGPLNPHL YTPNQMFAQS MVYEPLVKYQ ADGSVIPWLA DATA SEQUENCE KSWTHSEDGK TWTFTLRDDV KFSNGEPFDA EAAAENFRAV LDNRQRHAWL DATA SEQUENCE ELANQIVDVK ALSKTELQIT LKSAYYPFLQ ELALPRPFRF IAPSQFKNHE DATA SEQUENCE TMNGIKAPIG TGPWILQESK LNQYDVFVRN ENYWGEKPAI KKITFNVIPD DATA SEQUENCE PTTRAVAFET GDIDLLYGNE GLLPLDTFAR FSQNPAYHTQ LSQPIETVML DATA SEQUENCE ALNTAKAPTN ELAVREALNY AVNKKSLIDN ALYGTQQVAD TLFAPSVPYA DATA SEQUENCE NLGLKPSQYD PQKAKALLEK AGWTLPAGKD IREKNGQPLR IELSFIGTDA DATA SEQUENCE LSKSMAEIIQ ADMRQIGADV SLIGEEESSI YARQRDGRFG MIFHRTWGAP DATA SEQUENCE YDPHAFLSSM RVPSHADFQA QQGLADKPLI DKEIGEVLAT HDETQRQALY DATA SEQUENCE RDILTRLHDE AVYLPISYIS MMVVSKPELG NIPYAPIATE IPFEQIKP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 3 P HA -0.017 nan 4.420 nan 0.000 0.223 3 P C 0.472 177.781 177.300 0.015 0.000 1.151 3 P CA 1.645 64.749 63.100 0.006 0.000 0.787 3 P CB 0.147 31.850 31.700 0.006 0.000 0.788 4 D N -1.249 119.163 120.400 0.019 0.000 2.501 4 D HA 0.060 4.728 4.640 0.046 0.000 0.226 4 D C -0.155 176.168 176.300 0.038 0.000 1.198 4 D CA -0.179 53.843 54.000 0.035 0.000 0.830 4 D CB -0.268 40.555 40.800 0.038 0.000 1.014 4 D HN 0.132 nan 8.370 nan 0.000 0.496 5 E N 0.800 121.009 120.200 0.015 0.000 2.199 5 E HA 0.516 4.894 4.350 0.046 0.000 0.265 5 E C -0.143 176.440 176.600 -0.027 0.000 0.882 5 E CA -0.889 55.509 56.400 -0.004 0.000 0.759 5 E CB 2.584 32.276 29.700 -0.014 0.000 1.148 5 E HN 0.312 nan 8.360 nan 0.000 0.412 6 I N -0.917 119.615 120.570 -0.063 0.000 2.846 6 I HA 0.657 4.855 4.170 0.046 0.000 0.307 6 I C -0.360 175.668 176.117 -0.147 0.000 1.053 6 I CA -0.802 60.447 61.300 -0.084 0.000 1.050 6 I CB 2.315 40.273 38.000 -0.069 0.000 1.239 6 I HN 0.366 nan 8.210 nan 0.000 0.439 7 T N 0.517 115.001 114.554 -0.117 0.000 2.812 7 T HA 0.641 5.019 4.350 0.046 0.000 0.282 7 T C -0.373 174.257 174.700 -0.118 0.000 0.990 7 T CA -0.488 61.532 62.100 -0.134 0.000 0.960 7 T CB 1.697 70.520 68.868 -0.074 0.000 0.948 7 T HN 0.943 nan 8.240 nan 0.000 0.438 8 T N 1.056 115.484 114.554 -0.209 0.000 2.591 8 T HA 0.878 5.256 4.350 0.046 0.000 0.274 8 T C -1.362 173.340 174.700 0.004 0.000 0.945 8 T CA -0.063 61.970 62.100 -0.111 0.000 1.087 8 T CB 1.210 69.950 68.868 -0.214 0.000 1.416 8 T HN 1.316 nan 8.240 nan 0.000 0.514 9 A N -0.016 122.901 122.820 0.163 0.000 2.594 9 A HA 0.763 5.111 4.320 0.046 0.000 0.291 9 A C -2.051 175.851 177.584 0.529 0.000 1.105 9 A CA -0.722 51.495 52.037 0.299 0.000 0.694 9 A CB 1.393 20.511 19.000 0.196 0.000 1.291 9 A HN 0.747 nan 8.150 nan 0.000 0.410 10 W N 0.562 122.008 121.300 0.244 0.000 3.363 10 W HA 0.401 5.089 4.660 0.046 0.000 0.306 10 W C -2.843 173.772 176.519 0.160 0.000 1.253 10 W CA -1.561 55.917 57.345 0.221 0.000 1.195 10 W CB 2.187 31.844 29.460 0.329 0.000 1.366 10 W HN 0.496 nan 8.180 nan 0.000 0.551 11 P HA -0.097 nan 4.420 nan 0.000 0.225 11 P C 0.213 177.506 177.300 -0.013 0.000 1.156 11 P CA 1.369 64.352 63.100 -0.197 0.000 0.787 11 P CB 0.324 31.810 31.700 -0.356 0.000 0.802 12 V N -5.326 114.666 119.914 0.130 0.000 3.160 12 V HA 0.484 4.631 4.120 0.046 0.000 0.310 12 V C -0.345 175.941 176.094 0.320 0.000 1.181 12 V CA -1.575 60.847 62.300 0.205 0.000 1.047 12 V CB 1.218 33.148 31.823 0.178 0.000 1.068 12 V HN -0.280 nan 8.190 nan 0.000 0.441 13 N N 0.047 118.861 118.700 0.191 0.000 2.297 13 N HA 0.278 5.046 4.740 0.046 0.000 0.232 13 N C 1.168 176.750 175.510 0.120 0.000 1.311 13 N CA 0.410 53.547 53.050 0.144 0.000 0.897 13 N CB 0.899 39.415 38.487 0.049 0.000 1.137 13 N HN 0.892 nan 8.380 nan 0.000 0.449 14 V N -2.068 117.850 119.914 0.006 0.000 3.217 14 V HA 0.299 4.447 4.120 0.046 0.000 0.264 14 V C 1.060 177.096 176.094 -0.098 0.000 1.135 14 V CA 0.708 62.928 62.300 -0.133 0.000 1.142 14 V CB -1.630 30.053 31.823 -0.232 0.000 0.754 14 V HN 0.903 nan 8.190 nan 0.000 0.484 15 G N 0.473 109.248 108.800 -0.043 0.000 2.660 15 G HA2 -0.129 3.859 3.960 0.046 0.000 0.247 15 G HA3 -0.129 3.859 3.960 0.046 0.000 0.247 15 G C -1.577 173.294 174.900 -0.049 0.000 1.328 15 G CA -0.218 44.859 45.100 -0.037 0.000 0.884 15 G HN 0.309 nan 8.290 nan 0.000 0.531 16 P HA 0.148 nan 4.420 nan 0.000 0.226 16 P C 1.223 178.514 177.300 -0.015 0.000 1.153 16 P CA 1.155 64.234 63.100 -0.034 0.000 0.777 16 P CB -0.079 31.601 31.700 -0.033 0.000 0.794 17 L N -2.318 118.901 121.223 -0.006 0.000 3.548 17 L HA -0.193 4.175 4.340 0.046 0.000 0.443 17 L C 0.192 177.125 176.870 0.105 0.000 1.286 17 L CA -0.326 54.560 54.840 0.078 0.000 0.863 17 L CB -2.353 39.775 42.059 0.115 0.000 1.734 17 L HN 0.218 nan 8.230 nan 0.000 0.873 18 N N 2.615 121.289 118.700 -0.043 0.000 2.452 18 N HA 0.142 4.910 4.740 0.046 0.000 0.266 18 N C -0.824 174.485 175.510 -0.335 0.000 1.175 18 N CA -1.475 51.467 53.050 -0.181 0.000 0.945 18 N CB 1.182 39.574 38.487 -0.158 0.000 1.063 18 N HN 0.118 nan 8.380 nan 0.000 0.472 19 P HA -0.086 nan 4.420 nan 0.000 0.226 19 P C -0.028 176.980 177.300 -0.486 0.000 1.153 19 P CA 1.387 63.982 63.100 -0.842 0.000 0.777 19 P CB 0.108 30.917 31.700 -1.485 0.000 0.794 20 H N -1.915 116.921 119.070 -0.391 0.000 2.594 20 H HA 0.334 4.918 4.556 0.046 0.000 0.279 20 H C 0.858 175.992 175.328 -0.323 0.000 1.042 20 H CA -0.559 55.267 56.048 -0.370 0.000 1.177 20 H CB 0.382 29.960 29.762 -0.305 0.000 1.524 20 H HN 0.072 nan 8.280 nan 0.000 0.537 21 L N -0.315 120.751 121.223 -0.261 0.000 2.256 21 L HA 0.407 4.774 4.340 0.046 0.000 0.261 21 L C -0.813 175.814 176.870 -0.404 0.000 1.022 21 L CA -1.183 53.502 54.840 -0.258 0.000 0.828 21 L CB 1.412 43.423 42.059 -0.081 0.000 1.374 21 L HN 0.056 nan 8.230 nan 0.000 0.436 22 Y N -1.384 118.895 120.300 -0.035 0.000 3.012 22 Y HA 0.342 4.920 4.550 0.047 0.000 0.324 22 Y C 0.617 176.473 175.900 -0.074 0.000 1.342 22 Y CA -0.862 57.196 58.100 -0.070 0.000 1.076 22 Y CB 0.181 38.575 38.460 -0.110 0.000 1.372 22 Y HN 0.361 nan 8.280 nan 0.000 0.688 23 T N 4.186 118.797 114.554 0.096 0.000 2.903 23 T HA -0.031 4.347 4.350 0.046 0.000 0.299 23 T C -1.712 173.006 174.700 0.030 0.000 1.041 23 T CA -0.364 61.758 62.100 0.036 0.000 1.138 23 T CB -0.011 68.865 68.868 0.014 0.000 1.040 23 T HN 0.437 nan 8.240 nan 0.000 0.524 24 P HA 0.064 nan 4.420 nan 0.000 0.253 24 P C -0.057 177.250 177.300 0.011 0.000 1.260 24 P CA -0.122 62.993 63.100 0.025 0.000 0.800 24 P CB 0.321 32.033 31.700 0.021 0.000 1.162 25 N N 1.809 120.501 118.700 -0.015 0.000 2.492 25 N HA 0.054 4.821 4.740 0.046 0.000 0.260 25 N C 0.286 175.759 175.510 -0.062 0.000 1.215 25 N CA 0.338 53.355 53.050 -0.057 0.000 0.923 25 N CB 0.615 39.053 38.487 -0.082 0.000 1.092 25 N HN 0.157 nan 8.380 nan 0.000 0.448 26 Q N 2.293 122.004 119.800 -0.148 0.000 2.290 26 Q HA 0.253 4.621 4.340 0.046 0.000 0.259 26 Q C 1.191 176.995 176.000 -0.326 0.000 0.941 26 Q CA -0.315 55.374 55.803 -0.190 0.000 0.912 26 Q CB 1.703 30.247 28.738 -0.323 0.000 1.244 26 Q HN 0.559 nan 8.270 nan 0.000 0.441 27 M N 1.452 120.973 119.600 -0.132 0.000 2.202 27 M HA -0.169 4.339 4.480 0.046 0.000 0.262 27 M C 1.559 177.781 176.300 -0.130 0.000 1.063 27 M CA 1.823 57.073 55.300 -0.084 0.000 1.097 27 M CB -0.501 32.112 32.600 0.021 0.000 1.382 27 M HN 0.610 nan 8.290 nan 0.000 0.413 28 F N -0.025 119.822 119.950 -0.172 0.000 2.259 28 F HA 0.229 4.783 4.527 0.046 0.000 0.298 28 F C 2.316 177.967 175.800 -0.249 0.000 1.088 28 F CA 0.740 58.613 58.000 -0.211 0.000 1.358 28 F CB -0.991 37.799 39.000 -0.351 0.000 1.040 28 F HN -0.030 nan 8.300 nan 0.000 0.505 29 A N 0.682 122.585 122.820 -1.529 0.000 1.897 29 A HA -0.112 4.236 4.320 0.046 0.000 0.215 29 A C 2.222 179.551 177.584 -0.425 0.000 1.181 29 A CA 1.298 52.673 52.037 -1.103 0.000 0.620 29 A CB -0.898 17.380 19.000 -1.204 0.000 0.821 29 A HN 0.554 nan 8.150 nan 0.000 0.443 30 Q N -0.172 119.465 119.800 -0.272 0.000 2.135 30 Q HA -0.132 4.236 4.340 0.046 0.000 0.204 30 Q C 2.196 178.253 176.000 0.095 0.000 0.981 30 Q CA 1.800 57.624 55.803 0.035 0.000 0.856 30 Q CB -0.208 28.551 28.738 0.036 0.000 0.902 30 Q HN 0.585 nan 8.270 nan 0.000 0.425 31 S N -0.036 115.672 115.700 0.014 0.000 2.489 31 S HA 0.022 4.520 4.470 0.046 0.000 0.228 31 S C 1.671 176.336 174.600 0.109 0.000 0.995 31 S CA 0.583 58.841 58.200 0.096 0.000 0.934 31 S CB 0.032 63.290 63.200 0.097 0.000 0.771 31 S HN 0.318 nan 8.310 nan 0.000 0.522 32 M N 0.028 119.638 119.600 0.016 0.000 2.254 32 M HA 0.002 4.510 4.480 0.046 0.000 0.265 32 M C 1.663 178.053 176.300 0.150 0.000 1.066 32 M CA 1.053 56.425 55.300 0.120 0.000 1.123 32 M CB -0.051 32.403 32.600 -0.243 0.000 1.388 32 M HN 0.157 nan 8.290 nan 0.000 0.425 33 V N -1.914 117.982 119.914 -0.032 0.000 2.922 33 V HA 0.004 4.152 4.120 0.046 0.000 0.242 33 V C 0.223 176.144 176.094 -0.287 0.000 1.094 33 V CA 0.610 62.773 62.300 -0.227 0.000 1.106 33 V CB -0.074 31.425 31.823 -0.541 0.000 0.799 33 V HN 0.203 nan 8.190 nan 0.000 0.474 34 Y N 0.214 120.603 120.300 0.148 0.000 2.420 34 Y HA 0.631 5.208 4.550 0.046 0.000 0.334 34 Y C 0.258 176.286 175.900 0.214 0.000 1.094 34 Y CA -0.794 57.411 58.100 0.174 0.000 1.126 34 Y CB 1.309 39.830 38.460 0.102 0.000 1.217 34 Y HN 0.104 nan 8.280 nan 0.000 0.462 35 E N 3.402 123.870 120.200 0.447 0.000 2.336 35 E HA 0.424 4.801 4.350 0.046 0.000 0.267 35 E C -2.816 174.063 176.600 0.463 0.000 0.906 35 E CA -2.341 54.355 56.400 0.494 0.000 0.781 35 E CB 2.594 32.603 29.700 0.516 0.000 1.261 35 E HN 0.257 nan 8.360 nan 0.000 0.436 36 P HA 0.229 nan 4.420 nan 0.000 0.285 36 P C 0.539 178.129 177.300 0.483 0.000 1.280 36 P CA -0.499 62.803 63.100 0.336 0.000 0.862 36 P CB 1.388 33.190 31.700 0.170 0.000 1.153 37 L N 0.069 121.495 121.223 0.340 0.000 2.079 37 L HA -0.050 4.317 4.340 0.046 0.000 0.210 37 L C 1.199 178.211 176.870 0.237 0.000 1.081 37 L CA 1.582 56.561 54.840 0.233 0.000 0.752 37 L CB -0.507 41.484 42.059 -0.113 0.000 0.896 37 L HN 0.289 nan 8.230 nan 0.000 0.433 38 V N -3.648 116.345 119.914 0.131 0.000 2.888 38 V HA 0.465 4.613 4.120 0.046 0.000 0.309 38 V C -0.752 175.341 176.094 -0.002 0.000 1.114 38 V CA -1.087 61.271 62.300 0.096 0.000 0.940 38 V CB 2.184 33.904 31.823 -0.172 0.000 1.021 38 V HN 0.025 nan 8.190 nan 0.000 0.426 39 K N 2.878 123.227 120.400 -0.085 0.000 2.244 39 K HA 0.476 4.824 4.320 0.046 0.000 0.260 39 K C -1.361 175.155 176.600 -0.140 0.000 0.951 39 K CA -0.794 55.272 56.287 -0.368 0.000 0.826 39 K CB 1.594 33.444 32.500 -1.082 0.000 1.108 39 K HN 0.872 nan 8.250 nan 0.000 0.433 40 Y N 3.228 123.417 120.300 -0.185 0.000 2.497 40 Y HA 0.030 4.607 4.550 0.046 0.000 0.334 40 Y C -0.336 175.517 175.900 -0.078 0.000 1.199 40 Y CA 0.567 58.610 58.100 -0.096 0.000 1.425 40 Y CB 0.761 39.178 38.460 -0.071 0.000 1.291 40 Y HN 0.515 nan 8.280 nan 0.000 0.562 41 Q N 3.551 122.835 119.800 -0.859 0.000 2.399 41 Q HA 0.510 4.877 4.340 0.046 0.000 0.276 41 Q C 0.597 176.120 176.000 -0.795 0.000 1.098 41 Q CA -0.142 55.319 55.803 -0.570 0.000 0.827 41 Q CB 1.907 30.470 28.738 -0.292 0.000 1.386 41 Q HN 0.853 nan 8.270 nan 0.000 0.443 42 A N 1.225 123.838 122.820 -0.345 0.000 2.019 42 A HA -0.186 4.162 4.320 0.046 0.000 0.219 42 A C 1.163 178.653 177.584 -0.156 0.000 1.164 42 A CA 2.072 54.002 52.037 -0.179 0.000 0.644 42 A CB -0.349 18.624 19.000 -0.046 0.000 0.805 42 A HN 0.763 nan 8.150 nan 0.000 0.449 43 D N -1.898 118.399 120.400 -0.172 0.000 2.363 43 D HA 0.212 4.880 4.640 0.046 0.000 0.226 43 D C 1.182 177.429 176.300 -0.088 0.000 1.020 43 D CA 1.103 55.044 54.000 -0.099 0.000 0.892 43 D CB -0.512 40.248 40.800 -0.066 0.000 0.900 43 D HN 0.790 nan 8.370 nan 0.000 0.531 44 G N 0.075 108.759 108.800 -0.194 0.000 2.194 44 G HA2 -0.274 3.714 3.960 0.046 0.000 0.236 44 G HA3 -0.274 3.714 3.960 0.046 0.000 0.236 44 G C 0.432 175.367 174.900 0.058 0.000 0.987 44 G CA 0.415 45.533 45.100 0.029 0.000 0.635 44 G HN 0.809 nan 8.290 nan 0.000 0.520 45 S N -0.499 115.158 115.700 -0.072 0.000 2.681 45 S HA 0.820 5.317 4.470 0.046 0.000 0.270 45 S C 0.478 175.073 174.600 -0.009 0.000 1.209 45 S CA 0.096 58.310 58.200 0.023 0.000 0.988 45 S CB 2.043 65.265 63.200 0.036 0.000 1.006 45 S HN 1.832 nan 8.310 nan 0.000 0.558 46 V N -0.920 119.060 119.914 0.110 0.000 2.919 46 V HA 0.825 4.973 4.120 0.046 0.000 0.316 46 V C -0.241 175.975 176.094 0.202 0.000 1.077 46 V CA -1.217 61.150 62.300 0.113 0.000 0.977 46 V CB 0.814 32.700 31.823 0.105 0.000 1.039 46 V HN 1.071 nan 8.190 nan 0.000 0.441 47 I N -1.175 119.510 120.570 0.193 0.000 2.910 47 I HA 0.780 4.978 4.170 0.046 0.000 0.310 47 I C -2.727 173.685 176.117 0.492 0.000 1.043 47 I CA -2.913 58.575 61.300 0.314 0.000 1.053 47 I CB 1.801 39.929 38.000 0.214 0.000 1.242 47 I HN 0.354 nan 8.210 nan 0.000 0.452 48 P HA -0.026 nan 4.420 nan 0.000 0.265 48 P C -0.946 176.773 177.300 0.699 0.000 1.187 48 P CA 0.339 63.847 63.100 0.679 0.000 0.766 48 P CB 0.506 32.473 31.700 0.446 0.000 0.820 49 W N 2.665 124.138 121.300 0.288 0.000 4.477 49 W HA 0.179 4.867 4.660 0.047 0.000 0.616 49 W C 1.433 177.956 176.519 0.006 0.000 3.466 49 W CA -0.231 57.261 57.345 0.246 0.000 1.137 49 W CB -0.286 29.316 29.460 0.237 0.000 2.122 49 W HN 0.014 nan 8.180 nan 0.000 0.351 50 L N 1.551 122.774 121.223 0.000 0.000 2.201 50 L HA 0.039 4.407 4.340 0.046 0.000 0.212 50 L C 1.061 177.922 176.870 -0.014 0.000 1.105 50 L CA 0.572 55.208 54.840 -0.340 0.000 0.775 50 L CB -0.864 40.897 42.059 -0.495 0.000 0.913 50 L HN 0.023 nan 8.230 nan 0.000 0.440 51 A N 0.747 123.693 122.820 0.210 0.000 2.276 51 A HA 0.239 4.587 4.320 0.046 0.000 0.300 51 A C 1.192 179.029 177.584 0.421 0.000 1.235 51 A CA -0.580 51.681 52.037 0.373 0.000 0.867 51 A CB 0.395 19.740 19.000 0.576 0.000 1.137 51 A HN 0.352 nan 8.150 nan 0.000 0.527 52 K N 1.471 122.042 120.400 0.286 0.000 2.305 52 K HA 0.089 4.437 4.320 0.046 0.000 0.199 52 K C 0.442 177.163 176.600 0.203 0.000 1.047 52 K CA 1.169 57.585 56.287 0.216 0.000 0.976 52 K CB -0.078 32.474 32.500 0.087 0.000 0.765 52 K HN 0.726 nan 8.250 nan 0.000 0.474 53 S N -0.776 115.083 115.700 0.265 0.000 2.636 53 S HA 0.620 5.118 4.470 0.046 0.000 0.268 53 S C -1.891 172.876 174.600 0.279 0.000 1.159 53 S CA -1.135 57.073 58.200 0.013 0.000 0.815 53 S CB 0.580 63.710 63.200 -0.117 0.000 1.130 53 S HN 0.500 nan 8.310 nan 0.000 0.471 54 W N -0.288 121.048 121.300 0.059 0.000 3.137 54 W HA 0.775 5.463 4.660 0.046 0.000 0.324 54 W C -0.924 175.531 176.519 -0.107 0.000 1.253 54 W CA -0.411 56.872 57.345 -0.103 0.000 1.183 54 W CB 0.555 29.784 29.460 -0.384 0.000 1.424 54 W HN 1.040 nan 8.180 nan 0.000 0.566 55 T N -1.136 113.434 114.554 0.027 0.000 2.887 55 T HA 0.791 5.169 4.350 0.046 0.000 0.292 55 T C -1.249 173.315 174.700 -0.228 0.000 1.087 55 T CA -0.764 61.253 62.100 -0.139 0.000 1.009 55 T CB 1.991 70.749 68.868 -0.183 0.000 1.203 55 T HN 1.112 nan 8.240 nan 0.000 0.518 56 H N -1.403 117.384 119.070 -0.473 0.000 2.851 56 H HA 0.734 5.318 4.556 0.047 0.000 0.372 56 H C 0.006 175.039 175.328 -0.491 0.000 1.158 56 H CA -0.620 54.940 56.048 -0.813 0.000 1.159 56 H CB 0.904 29.586 29.762 -1.799 0.000 1.757 56 H HN 0.836 nan 8.280 nan 0.000 0.546 57 S N 0.788 116.328 115.700 -0.265 0.000 2.572 57 S HA -0.068 4.430 4.470 0.046 0.000 0.267 57 S C 1.084 175.646 174.600 -0.064 0.000 1.361 57 S CA 0.172 58.279 58.200 -0.155 0.000 1.009 57 S CB 0.891 64.025 63.200 -0.109 0.000 0.888 57 S HN 0.884 nan 8.310 nan 0.000 0.553 58 E N 0.975 121.130 120.200 -0.076 0.000 2.077 58 E HA -0.164 4.214 4.350 0.046 0.000 0.193 58 E C 1.381 177.959 176.600 -0.038 0.000 0.989 58 E CA 1.744 58.115 56.400 -0.049 0.000 0.800 58 E CB -0.268 29.399 29.700 -0.055 0.000 0.746 58 E HN 0.890 nan 8.360 nan 0.000 0.452 59 D N -1.508 118.863 120.400 -0.049 0.000 2.363 59 D HA 0.020 4.688 4.640 0.046 0.000 0.226 59 D C 1.240 177.490 176.300 -0.083 0.000 1.020 59 D CA 0.850 54.817 54.000 -0.056 0.000 0.892 59 D CB -0.223 40.556 40.800 -0.035 0.000 0.900 59 D HN 0.264 nan 8.370 nan 0.000 0.531 60 G N 0.615 109.352 108.800 -0.104 0.000 2.155 60 G HA2 -0.385 3.602 3.960 0.046 0.000 0.257 60 G HA3 -0.385 3.602 3.960 0.046 0.000 0.257 60 G C 0.990 175.910 174.900 0.033 0.000 0.983 60 G CA 0.648 45.640 45.100 -0.179 0.000 0.676 60 G HN 0.494 nan 8.290 nan 0.000 0.528 61 K N -0.656 119.753 120.400 0.015 0.000 2.334 61 K HA 0.145 4.492 4.320 0.046 0.000 0.195 61 K C 0.446 177.120 176.600 0.122 0.000 1.045 61 K CA 0.870 57.205 56.287 0.079 0.000 1.004 61 K CB 0.541 33.056 32.500 0.025 0.000 0.837 61 K HN 0.312 nan 8.250 nan 0.000 0.510 62 T N 0.939 115.514 114.554 0.035 0.000 2.786 62 T HA 0.329 4.707 4.350 0.046 0.000 0.283 62 T C -1.339 173.366 174.700 0.007 0.000 0.992 62 T CA -0.561 61.579 62.100 0.067 0.000 0.954 62 T CB 0.758 69.627 68.868 0.002 0.000 0.934 62 T HN 0.054 nan 8.240 nan 0.000 0.440 63 W N 1.746 123.039 121.300 -0.011 0.000 2.702 63 W HA 0.545 5.232 4.660 0.046 0.000 0.331 63 W C -0.154 176.363 176.519 -0.003 0.000 1.049 63 W CA -0.632 56.724 57.345 0.018 0.000 1.230 63 W CB 1.562 31.097 29.460 0.126 0.000 1.408 63 W HN 0.392 nan 8.180 nan 0.000 0.492 64 T N 3.724 118.333 114.554 0.091 0.000 2.815 64 T HA 0.487 4.865 4.350 0.046 0.000 0.289 64 T C -1.059 173.650 174.700 0.014 0.000 1.000 64 T CA -0.531 61.622 62.100 0.089 0.000 0.958 64 T CB 0.306 69.209 68.868 0.058 0.000 0.944 64 T HN -0.031 nan 8.240 nan 0.000 0.442 65 F N 1.758 121.890 119.950 0.303 0.000 2.404 65 F HA 0.424 4.978 4.527 0.046 0.000 0.339 65 F C 1.144 177.078 175.800 0.223 0.000 1.105 65 F CA -0.712 57.490 58.000 0.335 0.000 1.087 65 F CB 1.424 40.602 39.000 0.296 0.000 1.143 65 F HN 0.321 nan 8.300 nan 0.000 0.491 66 T N 5.385 120.160 114.554 0.369 0.000 2.753 66 T HA 0.468 4.846 4.350 0.046 0.000 0.297 66 T C 0.045 174.883 174.700 0.230 0.000 0.981 66 T CA -0.518 61.714 62.100 0.221 0.000 0.956 66 T CB 0.124 69.069 68.868 0.129 0.000 0.936 66 T HN 0.272 nan 8.240 nan 0.000 0.463 67 L N 3.161 124.478 121.223 0.157 0.000 2.399 67 L HA 0.482 4.850 4.340 0.046 0.000 0.266 67 L C 1.207 178.099 176.870 0.036 0.000 1.114 67 L CA -1.110 53.801 54.840 0.119 0.000 0.804 67 L CB 0.643 42.731 42.059 0.048 0.000 1.146 67 L HN 0.435 nan 8.230 nan 0.000 0.451 68 R N 1.084 121.570 120.500 -0.023 0.000 2.756 68 R HA -0.030 4.338 4.340 0.046 0.000 0.264 68 R C -0.052 176.194 176.300 -0.090 0.000 1.026 68 R CA 0.067 56.097 56.100 -0.117 0.000 1.121 68 R CB 0.281 30.381 30.300 -0.333 0.000 0.999 68 R HN 0.682 nan 8.270 nan 0.000 0.449 69 D N -0.373 119.974 120.400 -0.088 0.000 2.479 69 D HA -0.040 4.627 4.640 0.046 0.000 0.218 69 D C 0.033 176.290 176.300 -0.071 0.000 1.177 69 D CA -0.122 53.836 54.000 -0.070 0.000 0.830 69 D CB 0.258 41.030 40.800 -0.047 0.000 1.014 69 D HN 0.550 nan 8.370 nan 0.000 0.503 70 D N -0.131 120.207 120.400 -0.102 0.000 2.501 70 D HA 0.079 4.746 4.640 0.046 0.000 0.224 70 D C -0.166 176.076 176.300 -0.096 0.000 1.202 70 D CA -0.421 53.532 54.000 -0.078 0.000 0.829 70 D CB 0.117 40.884 40.800 -0.056 0.000 1.023 70 D HN -0.008 nan 8.370 nan 0.000 0.499 71 V N 0.992 120.813 119.914 -0.156 0.000 2.427 71 V HA 0.360 4.508 4.120 0.046 0.000 0.286 71 V C 0.148 176.178 176.094 -0.107 0.000 1.034 71 V CA -0.615 61.558 62.300 -0.213 0.000 0.893 71 V CB 1.829 33.342 31.823 -0.518 0.000 0.982 71 V HN -0.013 nan 8.190 nan 0.000 0.452 72 K N 3.609 123.972 120.400 -0.061 0.000 2.259 72 K HA 0.559 4.906 4.320 0.046 0.000 0.252 72 K C -0.635 175.948 176.600 -0.028 0.000 0.936 72 K CA -0.588 55.697 56.287 -0.002 0.000 0.810 72 K CB 2.084 34.627 32.500 0.070 0.000 1.143 72 K HN 0.382 nan 8.250 nan 0.000 0.427 73 F N 0.844 120.872 119.950 0.131 0.000 2.539 73 F HA -0.140 4.415 4.527 0.046 0.000 0.340 73 F C 2.168 178.031 175.800 0.105 0.000 1.185 73 F CA 0.529 58.609 58.000 0.134 0.000 1.333 73 F CB 0.390 39.472 39.000 0.136 0.000 1.152 73 F HN 0.630 nan 8.300 nan 0.000 0.602 74 S N 0.189 116.075 115.700 0.309 0.000 2.474 74 S HA -0.208 4.289 4.470 0.046 0.000 0.235 74 S C 1.225 175.914 174.600 0.147 0.000 0.997 74 S CA 1.020 59.328 58.200 0.179 0.000 0.949 74 S CB -0.696 62.585 63.200 0.134 0.000 0.766 74 S HN 0.761 nan 8.310 nan 0.000 0.517 75 N N 1.150 119.953 118.700 0.171 0.000 2.370 75 N HA 0.248 5.016 4.740 0.046 0.000 0.198 75 N C 1.234 176.811 175.510 0.111 0.000 1.156 75 N CA 0.643 53.760 53.050 0.112 0.000 0.839 75 N CB -0.397 38.135 38.487 0.075 0.000 0.989 75 N HN 0.576 nan 8.380 nan 0.000 0.468 76 G N -0.429 108.456 108.800 0.141 0.000 2.241 76 G HA2 -0.299 3.689 3.960 0.046 0.000 0.244 76 G HA3 -0.299 3.689 3.960 0.046 0.000 0.244 76 G C -0.277 174.706 174.900 0.139 0.000 0.998 76 G CA 0.108 45.277 45.100 0.115 0.000 0.621 76 G HN 0.502 nan 8.290 nan 0.000 0.519 77 E N 2.725 123.038 120.200 0.189 0.000 2.392 77 E HA 0.348 4.726 4.350 0.046 0.000 0.264 77 E C -2.057 174.743 176.600 0.334 0.000 1.024 77 E CA -1.164 55.364 56.400 0.214 0.000 0.903 77 E CB 0.921 30.710 29.700 0.149 0.000 0.963 77 E HN 0.289 nan 8.360 nan 0.000 0.432 78 P HA -0.030 nan 4.420 nan 0.000 0.275 78 P C -0.947 176.509 177.300 0.260 0.000 1.227 78 P CA -0.057 63.145 63.100 0.170 0.000 0.781 78 P CB 0.382 32.123 31.700 0.068 0.000 0.906 79 F N 4.527 124.389 119.950 -0.148 0.000 2.424 79 F HA 0.317 4.872 4.527 0.046 0.000 0.356 79 F C -0.083 175.607 175.800 -0.185 0.000 1.110 79 F CA 0.325 58.142 58.000 -0.305 0.000 1.161 79 F CB 0.296 38.856 39.000 -0.733 0.000 1.115 79 F HN 0.328 nan 8.300 nan 0.000 0.507 80 D N 3.594 123.475 120.400 -0.864 0.000 2.752 80 D HA 0.426 5.094 4.640 0.046 0.000 0.313 80 D C 0.117 176.008 176.300 -0.682 0.000 1.225 80 D CA -0.278 53.340 54.000 -0.637 0.000 0.976 80 D CB 0.835 41.482 40.800 -0.255 0.000 1.443 80 D HN 0.449 nan 8.370 nan 0.000 0.515 81 A N -0.591 122.015 122.820 -0.357 0.000 2.015 81 A HA -0.084 4.264 4.320 0.046 0.000 0.219 81 A C 1.934 179.454 177.584 -0.108 0.000 1.163 81 A CA 2.107 54.018 52.037 -0.209 0.000 0.646 81 A CB -0.903 18.055 19.000 -0.069 0.000 0.806 81 A HN 0.496 nan 8.150 nan 0.000 0.448 82 E N 0.023 120.165 120.200 -0.097 0.000 2.047 82 E HA -0.095 4.282 4.350 0.046 0.000 0.191 82 E C 2.281 178.886 176.600 0.009 0.000 0.987 82 E CA 1.576 57.962 56.400 -0.022 0.000 0.799 82 E CB -0.790 28.896 29.700 -0.023 0.000 0.752 82 E HN 0.828 nan 8.360 nan 0.000 0.449 83 A N 0.822 123.615 122.820 -0.046 0.000 1.902 83 A HA 0.112 4.460 4.320 0.046 0.000 0.217 83 A C 2.637 180.332 177.584 0.185 0.000 1.181 83 A CA 2.347 54.418 52.037 0.057 0.000 0.623 83 A CB -1.152 17.946 19.000 0.164 0.000 0.818 83 A HN 0.733 nan 8.150 nan 0.000 0.443 84 A N -0.269 122.568 122.820 0.028 0.000 1.898 84 A HA 0.227 4.575 4.320 0.046 0.000 0.216 84 A C 2.492 180.451 177.584 0.624 0.000 1.181 84 A CA 1.884 54.135 52.037 0.356 0.000 0.620 84 A CB -0.970 18.070 19.000 0.066 0.000 0.819 84 A HN 1.044 nan 8.150 nan 0.000 0.442 85 A N -0.398 122.653 122.820 0.384 0.000 1.933 85 A HA -0.133 4.215 4.320 0.046 0.000 0.218 85 A C 1.900 179.711 177.584 0.377 0.000 1.175 85 A CA 1.702 53.966 52.037 0.379 0.000 0.628 85 A CB -0.374 18.741 19.000 0.191 0.000 0.814 85 A HN 0.425 nan 8.150 nan 0.000 0.444 86 E N 0.304 120.700 120.200 0.326 0.000 2.150 86 E HA -0.147 4.231 4.350 0.046 0.000 0.193 86 E C 1.673 178.585 176.600 0.520 0.000 0.985 86 E CA 1.288 57.907 56.400 0.365 0.000 0.814 86 E CB -0.505 29.340 29.700 0.243 0.000 0.752 86 E HN 0.727 nan 8.360 nan 0.000 0.466 87 N N -0.102 118.913 118.700 0.524 0.000 2.142 87 N HA -0.078 4.689 4.740 0.046 0.000 0.186 87 N C 1.597 177.130 175.510 0.038 0.000 1.023 87 N CA 0.815 54.092 53.050 0.378 0.000 0.852 87 N CB -0.281 38.453 38.487 0.411 0.000 0.998 87 N HN 0.051 nan 8.380 nan 0.000 0.424 88 F N 1.117 121.173 119.950 0.176 0.000 2.126 88 F HA -0.104 4.450 4.527 0.046 0.000 0.299 88 F C 2.510 178.342 175.800 0.053 0.000 1.096 88 F CA 1.086 59.144 58.000 0.096 0.000 1.255 88 F CB -0.266 38.802 39.000 0.115 0.000 0.997 88 F HN 0.001 nan 8.300 nan 0.000 0.479 89 R N 0.640 121.313 120.500 0.289 0.000 2.091 89 R HA -0.198 4.169 4.340 0.046 0.000 0.238 89 R C 2.323 178.673 176.300 0.083 0.000 1.136 89 R CA 1.462 57.670 56.100 0.180 0.000 0.959 89 R CB -0.562 29.855 30.300 0.194 0.000 0.856 89 R HN 0.278 nan 8.270 nan 0.000 0.437 90 A N 0.306 123.143 122.820 0.028 0.000 1.902 90 A HA -0.105 4.243 4.320 0.046 0.000 0.217 90 A C 2.291 179.754 177.584 -0.201 0.000 1.181 90 A CA 1.638 53.583 52.037 -0.153 0.000 0.623 90 A CB -0.538 18.216 19.000 -0.410 0.000 0.818 90 A HN 0.241 nan 8.150 nan 0.000 0.443 91 V N -0.003 119.702 119.914 -0.348 0.000 2.295 91 V HA -0.238 3.910 4.120 0.046 0.000 0.246 91 V C 2.444 178.508 176.094 -0.050 0.000 1.049 91 V CA 2.004 64.090 62.300 -0.358 0.000 1.024 91 V CB -0.694 30.750 31.823 -0.631 0.000 0.648 91 V HN 0.570 nan 8.190 nan 0.000 0.447 92 L N -0.389 120.850 121.223 0.028 0.000 2.418 92 L HA -0.028 4.340 4.340 0.046 0.000 0.218 92 L C 1.927 178.846 176.870 0.082 0.000 1.125 92 L CA 0.606 55.507 54.840 0.102 0.000 0.835 92 L CB -0.554 41.585 42.059 0.133 0.000 0.953 92 L HN 0.298 nan 8.230 nan 0.000 0.454 93 D N 0.066 120.497 120.400 0.052 0.000 2.350 93 D HA -0.144 4.524 4.640 0.046 0.000 0.216 93 D C 1.279 177.600 176.300 0.036 0.000 0.968 93 D CA 0.940 54.964 54.000 0.039 0.000 0.894 93 D CB -0.093 40.721 40.800 0.023 0.000 0.909 93 D HN 0.164 nan 8.370 nan 0.000 0.520 94 N N 0.155 118.891 118.700 0.060 0.000 2.275 94 N HA 0.064 4.832 4.740 0.046 0.000 0.236 94 N C 1.212 176.754 175.510 0.053 0.000 1.154 94 N CA -0.204 52.869 53.050 0.038 0.000 0.866 94 N CB 0.145 38.652 38.487 0.033 0.000 1.093 94 N HN -0.059 nan 8.380 nan 0.000 0.515 95 R N 0.306 120.877 120.500 0.118 0.000 2.133 95 R HA -0.275 4.093 4.340 0.046 0.000 0.245 95 R C 1.740 178.071 176.300 0.052 0.000 1.137 95 R CA 2.205 58.395 56.100 0.150 0.000 0.947 95 R CB -0.094 30.259 30.300 0.089 0.000 0.865 95 R HN 0.433 nan 8.270 nan 0.000 0.437 96 Q N -0.083 119.718 119.800 0.001 0.000 2.173 96 Q HA -0.268 4.099 4.340 0.046 0.000 0.208 96 Q C 1.973 177.939 176.000 -0.056 0.000 0.989 96 Q CA 2.118 57.909 55.803 -0.020 0.000 0.872 96 Q CB -0.114 28.611 28.738 -0.022 0.000 0.909 96 Q HN 0.098 nan 8.270 nan 0.000 0.420 97 R N -0.450 119.959 120.500 -0.151 0.000 2.193 97 R HA -0.113 4.255 4.340 0.046 0.000 0.229 97 R C 0.789 176.970 176.300 -0.200 0.000 1.110 97 R CA 1.490 57.453 56.100 -0.228 0.000 0.988 97 R CB -0.077 30.035 30.300 -0.313 0.000 0.871 97 R HN 0.467 nan 8.270 nan 0.000 0.458 98 H N -1.169 117.969 119.070 0.113 0.000 2.520 98 H HA 0.348 4.931 4.556 0.046 0.000 0.284 98 H C 1.260 176.510 175.328 -0.130 0.000 1.037 98 H CA 0.479 56.555 56.048 0.047 0.000 1.168 98 H CB 0.451 30.178 29.762 -0.059 0.000 1.497 98 H HN 0.264 nan 8.280 nan 0.000 0.547 99 A N 2.010 124.863 122.820 0.055 0.000 1.986 99 A HA -0.178 4.170 4.320 0.046 0.000 0.220 99 A C 2.169 179.746 177.584 -0.012 0.000 1.171 99 A CA 1.334 53.376 52.037 0.009 0.000 0.640 99 A CB -1.027 17.994 19.000 0.034 0.000 0.811 99 A HN 0.710 nan 8.150 nan 0.000 0.451 100 W N -1.277 120.039 121.300 0.028 0.000 2.392 100 W HA 0.106 4.793 4.660 0.045 0.000 0.279 100 W C 0.198 176.771 176.519 0.090 0.000 1.225 100 W CA 0.346 57.696 57.345 0.008 0.000 1.233 100 W CB -0.824 28.688 29.460 0.087 0.000 1.122 100 W HN 0.267 nan 8.180 nan 0.000 0.561 101 L N 2.758 123.405 121.223 -0.961 0.000 2.262 101 L HA 0.207 4.574 4.340 0.046 0.000 0.288 101 L C 1.310 177.943 176.870 -0.394 0.000 1.035 101 L CA -0.204 54.069 54.840 -0.945 0.000 0.820 101 L CB 1.267 42.388 42.059 -1.563 0.000 1.204 101 L HN -0.123 nan 8.230 nan 0.000 0.424 102 E N 3.572 123.640 120.200 -0.221 0.000 2.204 102 E HA -0.190 4.187 4.350 0.046 0.000 0.194 102 E C 1.592 177.927 176.600 -0.441 0.000 0.989 102 E CA 1.148 57.388 56.400 -0.267 0.000 0.824 102 E CB -0.099 29.487 29.700 -0.189 0.000 0.756 102 E HN 0.665 nan 8.360 nan 0.000 0.477 103 L N 0.304 121.283 121.223 -0.408 0.000 2.127 103 L HA -0.076 4.292 4.340 0.046 0.000 0.211 103 L C 2.080 178.874 176.870 -0.126 0.000 1.089 103 L CA 2.164 56.817 54.840 -0.312 0.000 0.757 103 L CB -0.958 41.064 42.059 -0.062 0.000 0.899 103 L HN 0.198 nan 8.230 nan 0.000 0.434 104 A N -0.850 121.960 122.820 -0.016 0.000 2.067 104 A HA -0.125 4.222 4.320 0.046 0.000 0.219 104 A C 1.895 179.478 177.584 -0.002 0.000 1.158 104 A CA 1.482 53.572 52.037 0.089 0.000 0.661 104 A CB -0.572 18.463 19.000 0.060 0.000 0.801 104 A HN 0.627 nan 8.150 nan 0.000 0.452 105 N N -0.548 118.100 118.700 -0.086 0.000 2.424 105 N HA -0.033 4.735 4.740 0.046 0.000 0.178 105 N C 1.360 176.806 175.510 -0.108 0.000 1.060 105 N CA 0.473 53.475 53.050 -0.079 0.000 0.901 105 N CB -0.026 38.408 38.487 -0.088 0.000 0.979 105 N HN 0.463 nan 8.380 nan 0.000 0.451 106 Q N 0.508 120.201 119.800 -0.178 0.000 2.302 106 Q HA 0.194 4.562 4.340 0.046 0.000 0.202 106 Q C 0.642 176.548 176.000 -0.156 0.000 0.936 106 Q CA 0.149 55.834 55.803 -0.198 0.000 0.886 106 Q CB 0.633 29.166 28.738 -0.342 0.000 0.986 106 Q HN 0.377 nan 8.270 nan 0.000 0.487 107 I N 1.522 122.010 120.570 -0.136 0.000 2.505 107 I HA -0.063 4.135 4.170 0.046 0.000 0.287 107 I C 1.255 177.330 176.117 -0.071 0.000 1.104 107 I CA -0.191 61.033 61.300 -0.128 0.000 1.387 107 I CB 1.045 38.976 38.000 -0.115 0.000 1.404 107 I HN -0.158 nan 8.210 nan 0.000 0.528 108 V N 4.612 124.483 119.914 -0.072 0.000 2.575 108 V HA 0.027 4.175 4.120 0.046 0.000 0.242 108 V C 0.260 176.338 176.094 -0.026 0.000 1.045 108 V CA 1.144 63.421 62.300 -0.039 0.000 1.065 108 V CB -0.182 31.620 31.823 -0.036 0.000 0.717 108 V HN 0.838 nan 8.190 nan 0.000 0.467 109 D N -1.758 118.617 120.400 -0.041 0.000 2.803 109 D HA 0.495 5.162 4.640 0.046 0.000 0.218 109 D C -1.553 174.715 176.300 -0.053 0.000 1.245 109 D CA -0.141 53.844 54.000 -0.024 0.000 0.821 109 D CB 2.431 43.225 40.800 -0.011 0.000 1.626 109 D HN -0.125 nan 8.370 nan 0.000 0.487 110 V N 3.266 123.158 119.914 -0.036 0.000 2.525 110 V HA 0.600 4.748 4.120 0.046 0.000 0.299 110 V C -0.682 175.418 176.094 0.009 0.000 1.034 110 V CA -0.735 61.522 62.300 -0.072 0.000 0.863 110 V CB 1.601 33.319 31.823 -0.176 0.000 0.999 110 V HN 0.671 nan 8.190 nan 0.000 0.423 111 K N 3.060 123.473 120.400 0.021 0.000 2.508 111 K HA 0.920 5.268 4.320 0.046 0.000 0.260 111 K C -0.775 175.858 176.600 0.054 0.000 0.949 111 K CA -0.799 55.516 56.287 0.046 0.000 0.834 111 K CB 2.558 35.081 32.500 0.037 0.000 1.365 111 K HN 0.681 nan 8.250 nan 0.000 0.437 112 A N 3.264 126.117 122.820 0.054 0.000 2.347 112 A HA 0.287 4.635 4.320 0.046 0.000 0.287 112 A C 0.677 178.281 177.584 0.033 0.000 1.199 112 A CA -0.783 51.279 52.037 0.042 0.000 0.851 112 A CB -0.400 18.615 19.000 0.025 0.000 1.118 112 A HN 0.809 nan 8.150 nan 0.000 0.525 113 L N 2.183 123.429 121.223 0.038 0.000 2.341 113 L HA 0.074 4.442 4.340 0.046 0.000 0.214 113 L C 1.175 178.055 176.870 0.017 0.000 1.115 113 L CA 1.071 55.928 54.840 0.028 0.000 0.820 113 L CB -0.494 41.586 42.059 0.035 0.000 0.944 113 L HN 0.896 nan 8.230 nan 0.000 0.452 114 S N -3.344 112.364 115.700 0.012 0.000 2.683 114 S HA 0.129 4.627 4.470 0.046 0.000 0.269 114 S C 0.329 174.920 174.600 -0.014 0.000 1.165 114 S CA -0.700 57.500 58.200 0.001 0.000 0.840 114 S CB 1.717 64.919 63.200 0.002 0.000 1.169 114 S HN -0.284 nan 8.310 nan 0.000 0.490 115 K N 0.445 120.830 120.400 -0.026 0.000 2.211 115 K HA 0.019 4.367 4.320 0.046 0.000 0.204 115 K C 1.950 178.508 176.600 -0.070 0.000 1.047 115 K CA 2.077 58.332 56.287 -0.053 0.000 0.935 115 K CB -1.205 31.265 32.500 -0.050 0.000 0.728 115 K HN 0.885 nan 8.250 nan 0.000 0.452 116 T N -2.767 111.767 114.554 -0.034 0.000 3.003 116 T HA 0.219 4.596 4.350 0.046 0.000 0.261 116 T C 0.102 174.821 174.700 0.031 0.000 1.003 116 T CA -0.383 61.706 62.100 -0.018 0.000 0.917 116 T CB 0.315 69.180 68.868 -0.006 0.000 1.084 116 T HN 0.040 nan 8.240 nan 0.000 0.522 117 E N 1.443 121.666 120.200 0.039 0.000 2.145 117 E HA 0.538 4.916 4.350 0.046 0.000 0.270 117 E C -1.541 175.119 176.600 0.101 0.000 0.906 117 E CA -0.655 55.795 56.400 0.084 0.000 0.761 117 E CB 2.547 32.285 29.700 0.062 0.000 1.116 117 E HN 0.247 nan 8.360 nan 0.000 0.408 118 L N 2.793 124.125 121.223 0.181 0.000 2.325 118 L HA 0.297 4.664 4.340 0.046 0.000 0.281 118 L C -0.623 176.398 176.870 0.251 0.000 1.004 118 L CA -0.327 54.627 54.840 0.191 0.000 0.823 118 L CB 1.702 43.893 42.059 0.220 0.000 1.236 118 L HN 0.397 nan 8.230 nan 0.000 0.415 119 Q N 4.929 124.825 119.800 0.160 0.000 2.314 119 Q HA 0.584 4.952 4.340 0.046 0.000 0.259 119 Q C -1.411 174.655 176.000 0.110 0.000 0.951 119 Q CA -0.421 55.476 55.803 0.156 0.000 0.909 119 Q CB 1.227 30.021 28.738 0.093 0.000 1.236 119 Q HN 0.723 nan 8.270 nan 0.000 0.444 120 I N 3.285 123.961 120.570 0.178 0.000 2.378 120 I HA 0.328 4.526 4.170 0.046 0.000 0.291 120 I C -0.449 175.691 176.117 0.039 0.000 0.992 120 I CA -0.618 60.707 61.300 0.042 0.000 1.154 120 I CB 2.090 40.131 38.000 0.068 0.000 1.315 120 I HN 0.526 nan 8.210 nan 0.000 0.448 121 T N 7.074 121.607 114.554 -0.034 0.000 2.824 121 T HA 0.625 5.003 4.350 0.046 0.000 0.280 121 T C -0.138 174.504 174.700 -0.097 0.000 0.995 121 T CA -0.482 61.602 62.100 -0.027 0.000 1.009 121 T CB 1.319 70.180 68.868 -0.012 0.000 0.955 121 T HN 0.272 nan 8.240 nan 0.000 0.452 122 L N 2.407 123.573 121.223 -0.096 0.000 2.322 122 L HA 0.513 4.880 4.340 0.046 0.000 0.269 122 L C 1.540 178.373 176.870 -0.063 0.000 1.012 122 L CA -1.012 53.746 54.840 -0.136 0.000 0.815 122 L CB 1.431 43.366 42.059 -0.206 0.000 1.295 122 L HN 0.588 nan 8.230 nan 0.000 0.438 123 K N 0.231 120.594 120.400 -0.063 0.000 2.097 123 K HA -0.063 4.285 4.320 0.046 0.000 0.206 123 K C 0.522 177.121 176.600 -0.002 0.000 1.049 123 K CA 1.153 57.422 56.287 -0.030 0.000 0.933 123 K CB 0.143 32.622 32.500 -0.036 0.000 0.717 123 K HN 0.730 nan 8.250 nan 0.000 0.442 124 S N -1.860 113.850 115.700 0.016 0.000 2.638 124 S HA 0.542 5.040 4.470 0.046 0.000 0.274 124 S C -0.946 173.722 174.600 0.113 0.000 1.157 124 S CA -0.919 57.320 58.200 0.065 0.000 0.826 124 S CB 1.879 65.131 63.200 0.087 0.000 1.139 124 S HN 0.043 nan 8.310 nan 0.000 0.474 125 A N 1.668 124.575 122.820 0.144 0.000 3.030 125 A HA 0.330 4.678 4.320 0.046 0.000 0.273 125 A C -0.341 177.495 177.584 0.420 0.000 1.841 125 A CA -0.194 51.967 52.037 0.207 0.000 1.479 125 A CB -1.572 17.439 19.000 0.018 0.000 1.048 125 A HN 0.795 nan 8.150 nan 0.000 0.612 126 Y N 2.503 122.894 120.300 0.151 0.000 2.605 126 Y HA 0.172 4.749 4.550 0.046 0.000 0.336 126 Y C 1.065 177.064 175.900 0.165 0.000 1.111 126 Y CA -0.196 57.959 58.100 0.091 0.000 1.422 126 Y CB 0.198 38.633 38.460 -0.042 0.000 1.193 126 Y HN 0.700 nan 8.280 nan 0.000 0.526 127 Y N 6.149 126.226 120.300 -0.372 0.000 2.263 127 Y HA 0.210 4.788 4.550 0.045 0.000 0.292 127 Y C -1.349 174.342 175.900 -0.349 0.000 1.130 127 Y CA -0.064 57.852 58.100 -0.306 0.000 1.179 127 Y CB -1.650 36.480 38.460 -0.550 0.000 0.998 127 Y HN 0.413 nan 8.280 nan 0.000 0.532 128 P HA 0.017 nan 4.420 nan 0.000 0.256 128 P C 1.154 178.296 177.300 -0.264 0.000 1.335 128 P CA 0.358 62.895 63.100 -0.938 0.000 0.808 128 P CB -0.778 30.056 31.700 -1.444 0.000 1.305 129 F N 0.998 120.811 119.950 -0.227 0.000 2.045 129 F HA -0.300 4.254 4.527 0.046 0.000 0.297 129 F C 1.718 177.357 175.800 -0.268 0.000 1.114 129 F CA 1.609 59.494 58.000 -0.192 0.000 1.207 129 F CB -0.358 38.368 39.000 -0.457 0.000 0.964 129 F HN -0.188 nan 8.300 nan 0.000 0.486 130 L N -0.328 120.578 121.223 -0.529 0.000 2.093 130 L HA -0.205 4.163 4.340 0.046 0.000 0.208 130 L C 2.392 179.075 176.870 -0.312 0.000 1.085 130 L CA 1.052 55.534 54.840 -0.595 0.000 0.755 130 L CB -0.707 41.130 42.059 -0.370 0.000 0.904 130 L HN 0.220 nan 8.230 nan 0.000 0.435 131 Q N -0.002 119.691 119.800 -0.178 0.000 2.167 131 Q HA -0.173 4.195 4.340 0.046 0.000 0.202 131 Q C 2.022 177.952 176.000 -0.116 0.000 0.970 131 Q CA 1.267 57.008 55.803 -0.103 0.000 0.855 131 Q CB 0.024 28.706 28.738 -0.093 0.000 0.911 131 Q HN 0.465 nan 8.270 nan 0.000 0.438 132 E N -0.377 119.773 120.200 -0.083 0.000 2.170 132 E HA -0.044 4.333 4.350 0.046 0.000 0.191 132 E C 1.672 178.275 176.600 0.005 0.000 0.981 132 E CA 0.339 56.753 56.400 0.022 0.000 0.830 132 E CB 0.051 29.837 29.700 0.143 0.000 0.775 132 E HN 0.323 nan 8.360 nan 0.000 0.470 133 L N 0.588 121.703 121.223 -0.180 0.000 2.265 133 L HA -0.125 4.243 4.340 0.046 0.000 0.215 133 L C 2.332 179.150 176.870 -0.087 0.000 1.117 133 L CA 0.735 55.460 54.840 -0.190 0.000 0.782 133 L CB -0.298 41.480 42.059 -0.469 0.000 0.914 133 L HN 0.122 nan 8.230 nan 0.000 0.441 134 A N -0.420 122.346 122.820 -0.091 0.000 2.208 134 A HA 0.164 4.511 4.320 0.046 0.000 0.209 134 A C 1.149 178.722 177.584 -0.018 0.000 1.161 134 A CA -0.026 51.985 52.037 -0.044 0.000 0.782 134 A CB -0.256 18.734 19.000 -0.017 0.000 0.816 134 A HN 0.223 nan 8.150 nan 0.000 0.477 135 L N -0.730 120.488 121.223 -0.008 0.000 2.476 135 L HA 0.113 4.481 4.340 0.046 0.000 0.264 135 L C -1.329 175.601 176.870 0.100 0.000 1.224 135 L CA -1.565 53.301 54.840 0.043 0.000 0.821 135 L CB 0.169 42.313 42.059 0.142 0.000 1.101 135 L HN 0.018 nan 8.230 nan 0.000 0.488 136 P HA -0.120 nan 4.420 nan 0.000 0.216 136 P C -0.620 176.712 177.300 0.053 0.000 1.150 136 P CA 1.388 64.556 63.100 0.113 0.000 0.837 136 P CB 0.180 31.956 31.700 0.125 0.000 0.786 137 R N -2.744 117.790 120.500 0.057 0.000 2.710 137 R HA 0.390 4.758 4.340 0.046 0.000 0.270 137 R C -2.880 173.390 176.300 -0.050 0.000 1.021 137 R CA -1.629 54.423 56.100 -0.081 0.000 0.889 137 R CB 0.349 30.543 30.300 -0.177 0.000 1.243 137 R HN -0.227 nan 8.270 nan 0.000 0.464 138 P HA 0.217 nan 4.420 nan 0.000 0.274 138 P C -0.429 176.476 177.300 -0.658 0.000 1.352 138 P CA -0.019 62.739 63.100 -0.569 0.000 0.947 138 P CB 0.220 31.395 31.700 -0.875 0.000 1.437 139 F N 0.792 120.537 119.950 -0.341 0.000 2.871 139 F HA 0.252 4.806 4.527 0.046 0.000 0.317 139 F C 1.537 176.914 175.800 -0.705 0.000 1.193 139 F CA -0.542 57.108 58.000 -0.583 0.000 1.311 139 F CB 0.038 38.770 39.000 -0.447 0.000 1.380 139 F HN -0.268 nan 8.300 nan 0.000 0.557 140 R N 0.087 120.309 120.500 -0.464 0.000 2.596 140 R HA 0.589 4.957 4.340 0.046 0.000 0.216 140 R C -1.036 174.826 176.300 -0.730 0.000 1.348 140 R CA -0.668 55.164 56.100 -0.447 0.000 1.009 140 R CB 0.437 30.661 30.300 -0.125 0.000 1.947 140 R HN 0.086 nan 8.270 nan 0.000 0.526 141 F N 0.206 120.273 119.950 0.194 0.000 2.585 141 F HA 0.464 5.019 4.527 0.047 0.000 0.319 141 F C -0.061 176.032 175.800 0.489 0.000 1.165 141 F CA -0.580 57.637 58.000 0.361 0.000 0.949 141 F CB 1.622 40.898 39.000 0.460 0.000 1.218 141 F HN 0.195 nan 8.300 nan 0.000 0.453 142 I N 2.569 123.412 120.570 0.455 0.000 2.525 142 I HA 0.779 4.977 4.170 0.046 0.000 0.301 142 I C -0.121 175.983 176.117 -0.022 0.000 0.992 142 I CA -0.794 60.708 61.300 0.336 0.000 1.162 142 I CB 1.499 39.527 38.000 0.046 0.000 1.332 142 I HN 0.727 nan 8.210 nan 0.000 0.458 143 A N 7.678 130.095 122.820 -0.672 0.000 2.548 143 A HA 0.246 4.594 4.320 0.046 0.000 0.247 143 A C -1.979 175.252 177.584 -0.589 0.000 1.067 143 A CA -0.768 50.472 52.037 -1.328 0.000 0.757 143 A CB -0.387 17.999 19.000 -1.023 0.000 0.996 143 A HN 0.664 nan 8.150 nan 0.000 0.504 144 P HA -0.162 nan 4.420 nan 0.000 0.222 144 P C 1.675 178.538 177.300 -0.728 0.000 1.147 144 P CA 1.728 64.169 63.100 -1.099 0.000 0.790 144 P CB 0.082 31.305 31.700 -0.795 0.000 0.780 145 S N -1.102 114.355 115.700 -0.405 0.000 2.440 145 S HA -0.187 4.311 4.470 0.046 0.000 0.238 145 S C 1.618 176.133 174.600 -0.142 0.000 1.010 145 S CA 1.011 59.074 58.200 -0.230 0.000 0.972 145 S CB -0.911 62.193 63.200 -0.160 0.000 0.774 145 S HN 0.148 nan 8.310 nan 0.000 0.501 146 Q N 0.219 119.952 119.800 -0.111 0.000 2.319 146 Q HA 0.385 4.753 4.340 0.046 0.000 0.202 146 Q C -0.039 176.068 176.000 0.177 0.000 0.896 146 Q CA -0.244 55.570 55.803 0.018 0.000 0.942 146 Q CB -0.267 28.478 28.738 0.011 0.000 1.083 146 Q HN 0.658 nan 8.270 nan 0.000 0.510 147 F N 1.522 121.423 119.950 -0.082 0.000 2.545 147 F HA 0.022 4.577 4.527 0.046 0.000 0.348 147 F C 1.054 176.799 175.800 -0.092 0.000 1.163 147 F CA -0.042 57.918 58.000 -0.068 0.000 1.331 147 F CB 0.617 39.587 39.000 -0.051 0.000 1.138 147 F HN -0.310 nan 8.300 nan 0.000 0.602 148 K N 2.494 122.946 120.400 0.087 0.000 2.265 148 K HA 0.135 4.483 4.320 0.046 0.000 0.267 148 K C -0.388 176.214 176.600 0.003 0.000 0.994 148 K CA -0.586 55.709 56.287 0.014 0.000 0.860 148 K CB 0.828 33.326 32.500 -0.002 0.000 1.099 148 K HN 0.606 nan 8.250 nan 0.000 0.448 149 N N 3.930 122.602 118.700 -0.048 0.000 2.727 149 N HA -0.225 4.542 4.740 0.046 0.000 0.249 149 N C -0.612 174.943 175.510 0.075 0.000 1.048 149 N CA 1.011 54.053 53.050 -0.014 0.000 0.714 149 N CB -1.269 37.251 38.487 0.055 0.000 0.959 149 N HN 0.901 nan 8.380 nan 0.000 0.544 150 H N -3.134 116.048 119.070 0.187 0.000 3.109 150 H HA -0.151 4.433 4.556 0.046 0.000 0.245 150 H C 0.045 175.538 175.328 0.275 0.000 1.187 150 H CA 1.650 57.874 56.048 0.293 0.000 1.136 150 H CB -1.321 28.546 29.762 0.174 0.000 1.243 150 H HN 0.644 nan 8.280 nan 0.000 0.328 151 E N -0.613 119.657 120.200 0.117 0.000 2.410 151 E HA 0.408 4.786 4.350 0.046 0.000 0.269 151 E C 0.953 177.306 176.600 -0.412 0.000 0.937 151 E CA 0.153 56.459 56.400 -0.156 0.000 0.793 151 E CB 1.607 31.278 29.700 -0.047 0.000 1.314 151 E HN 0.223 nan 8.360 nan 0.000 0.447 152 T N -2.992 111.310 114.554 -0.421 0.000 2.975 152 T HA 0.037 4.415 4.350 0.046 0.000 0.257 152 T C 1.693 176.314 174.700 -0.132 0.000 1.003 152 T CA -0.095 61.831 62.100 -0.289 0.000 0.932 152 T CB -0.025 68.683 68.868 -0.265 0.000 1.087 152 T HN 0.533 nan 8.240 nan 0.000 0.512 153 M N 1.063 120.606 119.600 -0.095 0.000 2.374 153 M HA 0.176 4.683 4.480 0.046 0.000 0.264 153 M C 0.706 176.982 176.300 -0.040 0.000 1.067 153 M CA 1.247 56.520 55.300 -0.046 0.000 1.103 153 M CB -0.709 31.875 32.600 -0.027 0.000 1.402 153 M HN -0.024 nan 8.290 nan 0.000 0.444 154 N N 1.562 120.235 118.700 -0.044 0.000 2.251 154 N HA 0.342 5.110 4.740 0.046 0.000 0.217 154 N C 0.387 175.876 175.510 -0.034 0.000 1.124 154 N CA 0.879 53.911 53.050 -0.030 0.000 0.843 154 N CB 1.055 39.531 38.487 -0.018 0.000 1.024 154 N HN 0.619 nan 8.380 nan 0.000 0.501 155 G N 0.995 109.765 108.800 -0.050 0.000 2.459 155 G HA2 -0.018 3.970 3.960 0.046 0.000 0.685 155 G HA3 -0.018 3.970 3.960 0.046 0.000 0.685 155 G C -0.874 173.994 174.900 -0.052 0.000 1.303 155 G CA -0.732 44.340 45.100 -0.047 0.000 0.907 155 G HN 0.189 nan 8.290 nan 0.000 0.632 156 I N -2.321 118.224 120.570 -0.042 0.000 3.170 156 I HA 0.815 5.012 4.170 0.046 0.000 0.312 156 I C 0.798 176.915 176.117 -0.001 0.000 1.085 156 I CA -1.423 59.866 61.300 -0.018 0.000 0.999 156 I CB 1.739 39.723 38.000 -0.027 0.000 1.233 156 I HN 0.649 nan 8.210 nan 0.000 0.467 157 K N 1.586 121.996 120.400 0.016 0.000 2.849 157 K HA 0.539 4.887 4.320 0.046 0.000 0.175 157 K C 0.406 177.012 176.600 0.010 0.000 1.113 157 K CA 0.067 56.358 56.287 0.008 0.000 1.286 157 K CB -0.300 32.203 32.500 0.005 0.000 1.776 157 K HN 0.728 nan 8.250 nan 0.000 0.472 158 A N 2.525 125.353 122.820 0.014 0.000 2.304 158 A HA 0.295 4.642 4.320 0.046 0.000 0.301 158 A C -2.314 175.302 177.584 0.053 0.000 1.132 158 A CA -1.455 50.593 52.037 0.018 0.000 0.819 158 A CB 0.094 19.101 19.000 0.011 0.000 1.094 158 A HN 0.253 nan 8.150 nan 0.000 0.492 159 P HA 0.170 nan 4.420 nan 0.000 0.231 159 P C -0.818 176.562 177.300 0.133 0.000 1.811 159 P CA 0.071 63.268 63.100 0.162 0.000 1.051 159 P CB -0.231 31.534 31.700 0.109 0.000 1.951 160 I N 2.051 122.731 120.570 0.182 0.000 2.301 160 I HA 0.336 4.534 4.170 0.046 0.000 0.292 160 I C 1.253 177.587 176.117 0.362 0.000 1.046 160 I CA -0.087 61.315 61.300 0.169 0.000 1.282 160 I CB 0.599 38.657 38.000 0.096 0.000 1.409 160 I HN 0.170 nan 8.210 nan 0.000 0.484 161 G N 3.828 112.767 108.800 0.231 0.000 2.887 161 G HA2 0.477 4.464 3.960 0.046 0.000 0.277 161 G HA3 0.477 4.464 3.960 0.046 0.000 0.277 161 G C 0.656 175.800 174.900 0.406 0.000 1.346 161 G CA 0.062 45.400 45.100 0.397 0.000 1.058 161 G HN 0.516 nan 8.290 nan 0.000 0.535 162 T N -2.815 111.901 114.554 0.270 0.000 3.044 162 T HA 0.321 4.699 4.350 0.046 0.000 0.250 162 T C 1.308 176.164 174.700 0.261 0.000 1.081 162 T CA 0.671 62.851 62.100 0.133 0.000 1.040 162 T CB 0.066 68.848 68.868 -0.144 0.000 0.962 162 T HN 0.741 nan 8.240 nan 0.000 0.506 163 G N 2.500 111.387 108.800 0.146 0.000 2.653 163 G HA2 0.404 4.392 3.960 0.046 0.000 0.265 163 G HA3 0.404 4.392 3.960 0.046 0.000 0.265 163 G C -1.248 173.362 174.900 -0.484 0.000 1.237 163 G CA -1.093 43.988 45.100 -0.032 0.000 0.946 163 G HN 0.123 nan 8.290 nan 0.000 0.522 164 P HA 0.022 nan 4.420 nan 0.000 0.233 164 P C -0.560 176.067 177.300 -1.122 0.000 1.167 164 P CA 0.715 62.929 63.100 -1.477 0.000 0.770 164 P CB 0.238 31.005 31.700 -1.556 0.000 0.837 165 W N 0.103 121.275 121.300 -0.214 0.000 2.844 165 W HA 0.560 5.248 4.660 0.046 0.000 0.340 165 W C -0.162 176.373 176.519 0.027 0.000 1.093 165 W CA -0.823 56.491 57.345 -0.051 0.000 1.212 165 W CB 1.383 30.815 29.460 -0.046 0.000 1.422 165 W HN -0.360 nan 8.180 nan 0.000 0.515 166 I N 3.152 123.932 120.570 0.349 0.000 2.465 166 I HA 0.245 4.443 4.170 0.046 0.000 0.291 166 I C -0.659 175.554 176.117 0.160 0.000 1.014 166 I CA -1.310 60.103 61.300 0.188 0.000 1.093 166 I CB 1.561 39.616 38.000 0.092 0.000 1.267 166 I HN 0.125 nan 8.210 nan 0.000 0.431 167 L N 5.831 127.026 121.223 -0.048 0.000 2.477 167 L HA 0.066 4.434 4.340 0.046 0.000 0.272 167 L C 1.141 177.865 176.870 -0.244 0.000 1.157 167 L CA 0.894 55.465 54.840 -0.448 0.000 0.889 167 L CB 0.645 42.434 42.059 -0.450 0.000 1.158 167 L HN 0.738 nan 8.230 nan 0.000 0.473 168 Q N 3.743 123.397 119.800 -0.243 0.000 2.107 168 Q HA 0.058 4.426 4.340 0.046 0.000 0.195 168 Q C -0.424 175.520 176.000 -0.093 0.000 0.964 168 Q CA 1.188 56.929 55.803 -0.102 0.000 0.833 168 Q CB 0.433 29.144 28.738 -0.045 0.000 0.910 168 Q HN 0.852 nan 8.270 nan 0.000 0.465 169 E N -1.204 118.930 120.200 -0.111 0.000 2.396 169 E HA 0.409 4.787 4.350 0.046 0.000 0.280 169 E C -1.649 174.927 176.600 -0.040 0.000 1.065 169 E CA -0.876 55.496 56.400 -0.047 0.000 0.831 169 E CB 1.365 31.091 29.700 0.044 0.000 1.272 169 E HN -0.002 nan 8.360 nan 0.000 0.443 170 S N 0.694 116.361 115.700 -0.055 0.000 2.614 170 S HA 0.450 4.948 4.470 0.046 0.000 0.288 170 S C -1.480 173.011 174.600 -0.182 0.000 1.137 170 S CA -0.843 57.294 58.200 -0.105 0.000 0.992 170 S CB 0.810 63.938 63.200 -0.121 0.000 1.026 170 S HN 0.418 nan 8.310 nan 0.000 0.486 171 K N 3.902 124.071 120.400 -0.385 0.000 2.483 171 K HA 0.302 4.649 4.320 0.046 0.000 0.256 171 K C -0.767 175.656 176.600 -0.295 0.000 0.961 171 K CA -0.873 55.164 56.287 -0.417 0.000 0.873 171 K CB 1.599 33.655 32.500 -0.741 0.000 1.107 171 K HN 0.622 nan 8.250 nan 0.000 0.432 172 L N 3.470 124.595 121.223 -0.163 0.000 2.615 172 L HA -0.138 4.230 4.340 0.046 0.000 0.284 172 L C 0.698 177.514 176.870 -0.089 0.000 1.237 172 L CA 1.370 56.152 54.840 -0.097 0.000 0.905 172 L CB -0.564 41.457 42.059 -0.063 0.000 1.149 172 L HN 0.862 nan 8.230 nan 0.000 0.499 173 N N 1.224 119.895 118.700 -0.047 0.000 2.863 173 N HA -0.254 4.514 4.740 0.046 0.000 0.245 173 N C 0.538 176.035 175.510 -0.021 0.000 1.001 173 N CA 1.910 54.949 53.050 -0.019 0.000 0.901 173 N CB -0.606 37.871 38.487 -0.017 0.000 1.124 173 N HN 0.915 nan 8.380 nan 0.000 0.582 174 Q N -2.211 117.538 119.800 -0.085 0.000 2.612 174 Q HA 0.262 4.629 4.340 0.046 0.000 0.193 174 Q C -0.199 175.829 176.000 0.046 0.000 0.828 174 Q CA 0.791 56.551 55.803 -0.073 0.000 0.851 174 Q CB 0.755 29.340 28.738 -0.256 0.000 1.178 174 Q HN 0.523 nan 8.270 nan 0.000 0.634 175 Y N -1.655 118.696 120.300 0.084 0.000 2.677 175 Y HA 0.570 5.147 4.550 0.046 0.000 0.334 175 Y C -2.011 173.952 175.900 0.104 0.000 1.196 175 Y CA -1.410 56.762 58.100 0.120 0.000 1.059 175 Y CB 1.288 39.806 38.460 0.096 0.000 1.315 175 Y HN -0.168 nan 8.280 nan 0.000 0.455 176 D N 1.372 122.045 120.400 0.455 0.000 2.619 176 D HA 0.559 5.227 4.640 0.046 0.000 0.241 176 D C -1.354 175.153 176.300 0.346 0.000 1.087 176 D CA -0.487 53.684 54.000 0.286 0.000 0.851 176 D CB 3.230 44.119 40.800 0.148 0.000 1.474 176 D HN 0.456 nan 8.370 nan 0.000 0.478 177 V N 2.398 122.376 119.914 0.107 0.000 2.487 177 V HA 0.458 4.606 4.120 0.046 0.000 0.298 177 V C -0.695 175.329 176.094 -0.116 0.000 1.028 177 V CA -0.683 61.666 62.300 0.081 0.000 0.860 177 V CB 1.167 33.004 31.823 0.024 0.000 0.991 177 V HN 0.363 nan 8.190 nan 0.000 0.427 178 F N 3.604 123.593 119.950 0.064 0.000 2.492 178 F HA 0.809 5.364 4.527 0.046 0.000 0.327 178 F C 0.202 176.065 175.800 0.105 0.000 1.079 178 F CA -0.782 57.254 58.000 0.059 0.000 0.967 178 F CB 2.173 41.164 39.000 -0.015 0.000 1.169 178 F HN 0.408 nan 8.300 nan 0.000 0.472 179 V N -0.252 119.876 119.914 0.357 0.000 3.001 179 V HA 0.636 4.783 4.120 0.046 0.000 0.314 179 V C -0.383 175.949 176.094 0.397 0.000 1.099 179 V CA -1.422 61.074 62.300 0.326 0.000 0.989 179 V CB 1.727 33.643 31.823 0.155 0.000 1.040 179 V HN 0.828 nan 8.190 nan 0.000 0.434 180 R N 2.320 122.972 120.500 0.253 0.000 2.537 180 R HA 0.138 4.506 4.340 0.046 0.000 0.280 180 R C 0.091 176.332 176.300 -0.098 0.000 1.058 180 R CA -0.133 55.901 56.100 -0.110 0.000 1.057 180 R CB 0.303 30.500 30.300 -0.172 0.000 0.973 180 R HN 0.948 nan 8.270 nan 0.000 0.438 181 N N 3.128 121.702 118.700 -0.210 0.000 2.416 181 N HA -0.048 4.719 4.740 0.046 0.000 0.265 181 N C -0.120 175.350 175.510 -0.065 0.000 1.195 181 N CA 0.166 53.158 53.050 -0.097 0.000 0.943 181 N CB 0.989 39.404 38.487 -0.119 0.000 1.115 181 N HN 0.577 nan 8.380 nan 0.000 0.481 182 E N 2.134 122.323 120.200 -0.019 0.000 2.481 182 E HA 0.028 4.406 4.350 0.046 0.000 0.195 182 E C -0.234 176.371 176.600 0.009 0.000 1.047 182 E CA 0.402 56.795 56.400 -0.012 0.000 0.867 182 E CB 0.155 29.853 29.700 -0.003 0.000 0.858 182 E HN 0.579 nan 8.360 nan 0.000 0.513 183 N N 0.473 119.194 118.700 0.034 0.000 2.401 183 N HA -0.016 4.752 4.740 0.046 0.000 0.264 183 N C -0.368 175.191 175.510 0.082 0.000 1.238 183 N CA -0.206 52.872 53.050 0.047 0.000 0.889 183 N CB 0.301 38.820 38.487 0.053 0.000 1.196 183 N HN 0.090 nan 8.380 nan 0.000 0.511 184 Y N 1.951 122.193 120.300 -0.097 0.000 2.411 184 Y HA -0.030 4.548 4.550 0.046 0.000 0.333 184 Y C 1.621 177.436 175.900 -0.140 0.000 1.186 184 Y CA -0.765 57.243 58.100 -0.153 0.000 1.381 184 Y CB 0.454 38.737 38.460 -0.294 0.000 1.273 184 Y HN 0.222 nan 8.280 nan 0.000 0.546 185 W N 4.690 125.539 121.300 -0.751 0.000 2.519 185 W HA 0.180 4.868 4.660 0.046 0.000 0.266 185 W C 0.267 176.332 176.519 -0.756 0.000 1.253 185 W CA 0.652 57.612 57.345 -0.642 0.000 1.274 185 W CB -0.969 28.166 29.460 -0.542 0.000 1.114 185 W HN 0.655 nan 8.180 nan 0.000 0.596 186 G N 1.020 108.504 108.800 -2.193 0.000 2.945 186 G HA2 0.226 4.213 3.960 0.046 0.000 0.156 186 G HA3 0.226 4.213 3.960 0.046 0.000 0.156 186 G C -0.944 173.576 174.900 -0.634 0.000 1.375 186 G CA -0.838 43.361 45.100 -1.501 0.000 1.039 186 G HN 0.052 nan 8.290 nan 0.000 0.586 187 E N 0.456 120.469 120.200 -0.312 0.000 2.338 187 E HA 0.239 4.617 4.350 0.046 0.000 0.272 187 E C -0.602 175.986 176.600 -0.019 0.000 1.029 187 E CA -0.266 56.067 56.400 -0.111 0.000 0.872 187 E CB 0.764 30.429 29.700 -0.059 0.000 1.015 187 E HN 0.100 nan 8.360 nan 0.000 0.417 188 K N 4.323 124.693 120.400 -0.050 0.000 2.416 188 K HA 0.144 4.492 4.320 0.046 0.000 0.283 188 K C -2.392 174.139 176.600 -0.115 0.000 1.037 188 K CA -1.206 55.031 56.287 -0.084 0.000 0.995 188 K CB -0.299 32.160 32.500 -0.067 0.000 0.938 188 K HN 0.203 nan 8.250 nan 0.000 0.475 189 P HA -0.008 nan 4.420 nan 0.000 0.269 189 P C 0.127 177.398 177.300 -0.048 0.000 1.209 189 P CA -0.090 62.914 63.100 -0.159 0.000 0.776 189 P CB 1.011 32.457 31.700 -0.423 0.000 0.876 190 A N 3.468 126.306 122.820 0.031 0.000 1.969 190 A HA -0.056 4.292 4.320 0.046 0.000 0.218 190 A C 1.083 178.717 177.584 0.083 0.000 1.169 190 A CA 0.935 53.000 52.037 0.046 0.000 0.635 190 A CB -0.842 18.189 19.000 0.052 0.000 0.810 190 A HN 0.542 nan 8.150 nan 0.000 0.445 191 I N -0.276 120.398 120.570 0.173 0.000 2.519 191 I HA 0.068 4.265 4.170 0.046 0.000 0.287 191 I C 1.521 177.798 176.117 0.267 0.000 1.047 191 I CA -0.178 61.256 61.300 0.223 0.000 1.381 191 I CB 1.637 39.804 38.000 0.279 0.000 1.417 191 I HN 0.146 nan 8.210 nan 0.000 0.540 192 K N 5.839 126.352 120.400 0.188 0.000 2.335 192 K HA 0.205 4.553 4.320 0.046 0.000 0.195 192 K C 0.403 177.139 176.600 0.227 0.000 1.058 192 K CA 0.510 56.895 56.287 0.164 0.000 0.988 192 K CB 0.289 32.837 32.500 0.080 0.000 0.880 192 K HN 0.695 nan 8.250 nan 0.000 0.513 193 K N 0.193 120.695 120.400 0.171 0.000 2.535 193 K HA 0.468 4.816 4.320 0.046 0.000 0.251 193 K C -1.744 174.845 176.600 -0.018 0.000 0.942 193 K CA -0.638 55.713 56.287 0.106 0.000 0.798 193 K CB 1.661 34.192 32.500 0.051 0.000 1.267 193 K HN 0.206 nan 8.250 nan 0.000 0.434 194 I N 3.002 123.521 120.570 -0.084 0.000 2.439 194 I HA 0.244 4.441 4.170 0.046 0.000 0.285 194 I C -0.630 175.385 176.117 -0.171 0.000 1.021 194 I CA -0.699 60.414 61.300 -0.311 0.000 1.091 194 I CB 2.288 39.837 38.000 -0.753 0.000 1.242 194 I HN 0.489 nan 8.210 nan 0.000 0.439 195 T N 5.911 120.328 114.554 -0.228 0.000 2.767 195 T HA 0.508 4.885 4.350 0.046 0.000 0.284 195 T C -0.519 174.065 174.700 -0.192 0.000 0.973 195 T CA -0.251 61.800 62.100 -0.083 0.000 0.996 195 T CB 0.493 69.305 68.868 -0.093 0.000 0.927 195 T HN 0.097 nan 8.240 nan 0.000 0.456 196 F N 2.897 122.919 119.950 0.119 0.000 2.361 196 F HA 0.334 4.888 4.527 0.046 0.000 0.364 196 F C 1.100 177.033 175.800 0.222 0.000 1.120 196 F CA -0.864 57.243 58.000 0.178 0.000 1.102 196 F CB 0.392 39.544 39.000 0.254 0.000 1.183 196 F HN 0.465 nan 8.300 nan 0.000 0.476 197 N N 2.077 120.951 118.700 0.290 0.000 2.488 197 N HA 0.280 5.048 4.740 0.046 0.000 0.274 197 N C -0.939 174.737 175.510 0.276 0.000 1.111 197 N CA -0.536 52.673 53.050 0.265 0.000 0.974 197 N CB 1.493 40.080 38.487 0.167 0.000 1.089 197 N HN 0.216 nan 8.380 nan 0.000 0.465 198 V N 4.784 124.842 119.914 0.241 0.000 2.405 198 V HA 0.190 4.338 4.120 0.046 0.000 0.264 198 V C 0.217 176.391 176.094 0.133 0.000 1.048 198 V CA 0.229 62.649 62.300 0.200 0.000 0.966 198 V CB -0.365 31.546 31.823 0.147 0.000 1.015 198 V HN 0.563 nan 8.190 nan 0.000 0.477 199 I N 8.131 128.769 120.570 0.113 0.000 2.542 199 I HA 0.292 4.490 4.170 0.046 0.000 0.278 199 I C -1.743 174.383 176.117 0.016 0.000 1.069 199 I CA -1.298 60.041 61.300 0.065 0.000 1.100 199 I CB 2.717 40.763 38.000 0.076 0.000 1.204 199 I HN 0.404 nan 8.210 nan 0.000 0.470 200 P HA -0.010 nan 4.420 nan 0.000 0.231 200 P C 0.090 177.358 177.300 -0.053 0.000 1.168 200 P CA 0.721 63.799 63.100 -0.037 0.000 0.779 200 P CB 0.321 32.007 31.700 -0.023 0.000 0.844 201 D N 0.300 120.680 120.400 -0.032 0.000 2.198 201 D HA 0.170 4.838 4.640 0.046 0.000 0.245 201 D C -1.508 174.766 176.300 -0.043 0.000 1.079 201 D CA -2.605 51.371 54.000 -0.039 0.000 0.854 201 D CB 1.618 42.404 40.800 -0.022 0.000 1.148 201 D HN -0.184 nan 8.370 nan 0.000 0.456 202 P HA -0.102 nan 4.420 nan 0.000 0.217 202 P C 1.115 178.389 177.300 -0.043 0.000 1.150 202 P CA 1.031 64.090 63.100 -0.067 0.000 0.832 202 P CB 0.143 31.787 31.700 -0.094 0.000 0.787 203 T N -0.670 113.861 114.554 -0.039 0.000 2.746 203 T HA -0.095 4.283 4.350 0.046 0.000 0.267 203 T C 1.724 176.431 174.700 0.011 0.000 1.039 203 T CA 2.007 64.093 62.100 -0.023 0.000 1.142 203 T CB -1.091 67.763 68.868 -0.025 0.000 0.866 203 T HN 0.201 nan 8.240 nan 0.000 0.444 204 T N 1.787 116.348 114.554 0.012 0.000 2.821 204 T HA -0.002 4.375 4.350 0.046 0.000 0.267 204 T C 2.123 176.856 174.700 0.055 0.000 1.046 204 T CA 0.712 62.831 62.100 0.032 0.000 1.139 204 T CB -0.095 68.787 68.868 0.022 0.000 0.871 204 T HN 0.348 nan 8.240 nan 0.000 0.454 205 R N 1.096 121.624 120.500 0.046 0.000 2.083 205 R HA -0.023 4.345 4.340 0.046 0.000 0.237 205 R C 2.861 179.244 176.300 0.138 0.000 1.137 205 R CA 1.441 57.587 56.100 0.077 0.000 0.951 205 R CB -0.549 29.776 30.300 0.042 0.000 0.851 205 R HN 0.377 nan 8.270 nan 0.000 0.434 206 A N 0.689 123.583 122.820 0.124 0.000 1.902 206 A HA -0.120 4.228 4.320 0.046 0.000 0.217 206 A C 2.386 180.149 177.584 0.299 0.000 1.181 206 A CA 1.450 53.633 52.037 0.243 0.000 0.623 206 A CB -0.571 18.477 19.000 0.080 0.000 0.818 206 A HN 0.126 nan 8.150 nan 0.000 0.443 207 V N -0.036 119.982 119.914 0.174 0.000 2.332 207 V HA -0.283 3.865 4.120 0.046 0.000 0.248 207 V C 3.059 179.218 176.094 0.108 0.000 1.055 207 V CA 1.972 64.356 62.300 0.139 0.000 1.038 207 V CB -1.309 30.564 31.823 0.084 0.000 0.651 207 V HN 0.625 nan 8.190 nan 0.000 0.450 208 A N -0.586 122.297 122.820 0.105 0.000 1.940 208 A HA -0.270 4.078 4.320 0.046 0.000 0.219 208 A C 2.112 179.730 177.584 0.056 0.000 1.176 208 A CA 2.208 54.288 52.037 0.073 0.000 0.631 208 A CB -0.695 18.357 19.000 0.088 0.000 0.814 208 A HN 0.564 nan 8.150 nan 0.000 0.446 209 F N 0.782 120.726 119.950 -0.010 0.000 2.206 209 F HA -0.043 4.512 4.527 0.047 0.000 0.298 209 F C 2.126 177.807 175.800 -0.199 0.000 1.090 209 F CA 1.820 59.755 58.000 -0.108 0.000 1.323 209 F CB -0.187 38.739 39.000 -0.123 0.000 1.028 209 F HN 0.346 nan 8.300 nan 0.000 0.492 210 E N -0.583 119.542 120.200 -0.124 0.000 2.150 210 E HA -0.176 4.202 4.350 0.046 0.000 0.193 210 E C 2.021 178.518 176.600 -0.172 0.000 0.985 210 E CA 1.641 57.928 56.400 -0.189 0.000 0.814 210 E CB -0.370 29.386 29.700 0.094 0.000 0.752 210 E HN 0.506 nan 8.360 nan 0.000 0.466 211 T N -2.606 111.878 114.554 -0.116 0.000 3.118 211 T HA 0.129 4.507 4.350 0.046 0.000 0.260 211 T C 1.575 176.188 174.700 -0.145 0.000 1.139 211 T CA 0.513 62.558 62.100 -0.090 0.000 1.085 211 T CB 0.211 69.056 68.868 -0.038 0.000 0.934 211 T HN 0.281 nan 8.240 nan 0.000 0.518 212 G N 1.434 110.076 108.800 -0.263 0.000 2.148 212 G HA2 -0.254 3.733 3.960 0.046 0.000 0.254 212 G HA3 -0.254 3.733 3.960 0.046 0.000 0.254 212 G C 0.444 175.247 174.900 -0.162 0.000 0.981 212 G CA 0.319 45.254 45.100 -0.275 0.000 0.670 212 G HN 0.519 nan 8.290 nan 0.000 0.528 213 D N -0.089 120.246 120.400 -0.108 0.000 2.264 213 D HA 0.087 4.754 4.640 0.046 0.000 0.208 213 D C 1.702 177.981 176.300 -0.035 0.000 0.966 213 D CA 1.528 55.497 54.000 -0.052 0.000 0.864 213 D CB 0.127 40.918 40.800 -0.015 0.000 0.933 213 D HN 0.911 nan 8.370 nan 0.000 0.499 214 I N -3.456 117.095 120.570 -0.032 0.000 2.934 214 I HA 0.386 4.584 4.170 0.046 0.000 0.306 214 I C -0.283 175.860 176.117 0.043 0.000 1.110 214 I CA -0.786 60.529 61.300 0.025 0.000 1.019 214 I CB 2.585 40.642 38.000 0.094 0.000 1.227 214 I HN -0.442 nan 8.210 nan 0.000 0.434 215 D N 2.175 122.628 120.400 0.088 0.000 2.423 215 D HA 0.283 4.951 4.640 0.046 0.000 0.212 215 D C -0.242 176.218 176.300 0.266 0.000 1.060 215 D CA 0.801 54.876 54.000 0.125 0.000 0.872 215 D CB 1.499 42.331 40.800 0.052 0.000 1.012 215 D HN 0.375 nan 8.370 nan 0.000 0.503 216 L N 0.800 122.155 121.223 0.220 0.000 2.526 216 L HA 0.393 4.761 4.340 0.046 0.000 0.263 216 L C -2.138 174.819 176.870 0.144 0.000 0.943 216 L CA -0.509 54.430 54.840 0.166 0.000 0.859 216 L CB 1.940 44.080 42.059 0.135 0.000 1.313 216 L HN -0.247 nan 8.230 nan 0.000 0.406 217 L N 4.927 126.203 121.223 0.087 0.000 2.365 217 L HA 0.588 4.956 4.340 0.046 0.000 0.273 217 L C -1.591 175.378 176.870 0.164 0.000 1.000 217 L CA -0.730 54.178 54.840 0.113 0.000 0.819 217 L CB 2.069 44.147 42.059 0.032 0.000 1.284 217 L HN 0.712 nan 8.230 nan 0.000 0.418 218 Y N 1.875 122.215 120.300 0.066 0.000 2.401 218 Y HA 0.713 5.291 4.550 0.046 0.000 0.330 218 Y C -0.169 175.792 175.900 0.102 0.000 1.071 218 Y CA -0.275 57.857 58.100 0.053 0.000 1.049 218 Y CB 2.102 40.556 38.460 -0.010 0.000 1.239 218 Y HN 0.650 nan 8.280 nan 0.000 0.437 219 G N 3.795 112.596 108.800 0.002 0.000 2.341 219 G HA2 0.194 4.181 3.960 0.046 0.000 0.299 219 G HA3 0.194 4.181 3.960 0.046 0.000 0.299 219 G C -1.656 173.182 174.900 -0.103 0.000 1.274 219 G CA -0.797 44.342 45.100 0.065 0.000 0.853 219 G HN 0.807 nan 8.290 nan 0.000 0.493 220 N N -0.642 118.009 118.700 -0.083 0.000 2.531 220 N HA 0.226 4.994 4.740 0.046 0.000 0.301 220 N C 1.341 176.739 175.510 -0.185 0.000 1.310 220 N CA 0.352 53.327 53.050 -0.125 0.000 0.949 220 N CB 0.078 38.527 38.487 -0.065 0.000 1.111 220 N HN 0.607 nan 8.380 nan 0.000 0.565 221 E N -1.431 118.664 120.200 -0.175 0.000 2.401 221 E HA -0.074 4.304 4.350 0.046 0.000 0.199 221 E C 1.149 177.634 176.600 -0.192 0.000 1.023 221 E CA 1.247 57.525 56.400 -0.203 0.000 0.859 221 E CB -1.033 28.571 29.700 -0.161 0.000 0.780 221 E HN 0.758 nan 8.360 nan 0.000 0.523 222 G N 1.065 109.763 108.800 -0.170 0.000 2.985 222 G HA2 0.003 3.991 3.960 0.046 0.000 0.209 222 G HA3 0.003 3.991 3.960 0.046 0.000 0.209 222 G C 1.345 176.139 174.900 -0.176 0.000 1.165 222 G CA 0.257 45.258 45.100 -0.166 0.000 0.776 222 G HN 0.262 nan 8.290 nan 0.000 0.541 223 L N 0.332 121.442 121.223 -0.188 0.000 2.012 223 L HA 0.246 4.614 4.340 0.046 0.000 0.210 223 L C 0.957 177.747 176.870 -0.134 0.000 1.073 223 L CA 1.695 56.435 54.840 -0.166 0.000 0.748 223 L CB -0.136 41.827 42.059 -0.161 0.000 0.891 223 L HN 0.335 nan 8.230 nan 0.000 0.431 224 L N -6.365 114.771 121.223 -0.145 0.000 2.630 224 L HA 0.608 4.975 4.340 0.046 0.000 0.258 224 L C -2.707 174.073 176.870 -0.151 0.000 1.072 224 L CA -1.975 52.793 54.840 -0.120 0.000 0.885 224 L CB 0.818 42.825 42.059 -0.085 0.000 1.502 224 L HN -0.369 nan 8.230 nan 0.000 0.406 225 P HA 0.216 nan 4.420 nan 0.000 0.265 225 P C 0.489 177.668 177.300 -0.202 0.000 1.193 225 P CA 0.025 63.020 63.100 -0.175 0.000 0.765 225 P CB 0.690 32.281 31.700 -0.181 0.000 0.823 226 L N 1.926 123.037 121.223 -0.186 0.000 2.240 226 L HA -0.113 4.255 4.340 0.046 0.000 0.211 226 L C 1.776 178.445 176.870 -0.334 0.000 1.106 226 L CA 1.124 55.876 54.840 -0.146 0.000 0.793 226 L CB -0.649 41.371 42.059 -0.064 0.000 0.927 226 L HN 0.394 nan 8.230 nan 0.000 0.446 227 D N -1.241 118.786 120.400 -0.622 0.000 2.117 227 D HA -0.180 4.488 4.640 0.046 0.000 0.197 227 D C 1.886 177.797 176.300 -0.648 0.000 0.987 227 D CA 1.710 55.014 54.000 -1.160 0.000 0.829 227 D CB -0.832 39.479 40.800 -0.816 0.000 0.961 227 D HN 0.069 nan 8.370 nan 0.000 0.460 228 T N -0.134 114.134 114.554 -0.476 0.000 2.746 228 T HA -0.114 4.264 4.350 0.046 0.000 0.267 228 T C 1.474 175.750 174.700 -0.706 0.000 1.039 228 T CA 1.107 62.855 62.100 -0.585 0.000 1.142 228 T CB -0.665 67.831 68.868 -0.620 0.000 0.866 228 T HN 0.199 nan 8.240 nan 0.000 0.444 229 F N 2.318 121.920 119.950 -0.580 0.000 2.126 229 F HA -0.069 4.486 4.527 0.047 0.000 0.299 229 F C 2.423 178.115 175.800 -0.180 0.000 1.096 229 F CA 1.090 58.865 58.000 -0.374 0.000 1.255 229 F CB -0.644 38.212 39.000 -0.241 0.000 0.997 229 F HN 0.143 nan 8.300 nan 0.000 0.479 230 A N 0.528 123.240 122.820 -0.180 0.000 1.933 230 A HA -0.202 4.145 4.320 0.046 0.000 0.218 230 A C 2.373 179.888 177.584 -0.115 0.000 1.175 230 A CA 1.680 53.649 52.037 -0.113 0.000 0.628 230 A CB -0.885 18.217 19.000 0.171 0.000 0.814 230 A HN 0.503 nan 8.150 nan 0.000 0.444 231 R N -1.469 118.957 120.500 -0.124 0.000 2.073 231 R HA -0.137 4.231 4.340 0.046 0.000 0.234 231 R C 1.716 178.112 176.300 0.160 0.000 1.134 231 R CA 1.841 57.944 56.100 0.006 0.000 0.952 231 R CB -0.408 29.894 30.300 0.002 0.000 0.850 231 R HN 0.406 nan 8.270 nan 0.000 0.433 232 F N 1.132 121.039 119.950 -0.071 0.000 2.216 232 F HA -0.126 4.429 4.527 0.047 0.000 0.300 232 F C 2.626 178.369 175.800 -0.095 0.000 1.085 232 F CA 1.397 59.425 58.000 0.045 0.000 1.326 232 F CB -1.059 37.921 39.000 -0.034 0.000 1.027 232 F HN 0.203 nan 8.300 nan 0.000 0.497 233 S N -0.600 115.027 115.700 -0.122 0.000 2.515 233 S HA -0.151 4.347 4.470 0.046 0.000 0.231 233 S C 1.422 175.982 174.600 -0.067 0.000 0.987 233 S CA 0.719 58.797 58.200 -0.203 0.000 0.936 233 S CB -0.461 62.508 63.200 -0.385 0.000 0.766 233 S HN 0.556 nan 8.310 nan 0.000 0.528 234 Q N 0.598 120.388 119.800 -0.017 0.000 2.319 234 Q HA 0.288 4.656 4.340 0.046 0.000 0.209 234 Q C -0.055 175.932 176.000 -0.022 0.000 0.884 234 Q CA -0.260 55.537 55.803 -0.009 0.000 0.938 234 Q CB 0.151 28.891 28.738 0.003 0.000 1.098 234 Q HN 0.416 nan 8.270 nan 0.000 0.517 235 N N 2.094 120.776 118.700 -0.031 0.000 2.408 235 N HA 0.071 4.839 4.740 0.046 0.000 0.257 235 N C -1.937 173.461 175.510 -0.185 0.000 1.064 235 N CA -1.800 51.152 53.050 -0.164 0.000 0.952 235 N CB 1.298 39.588 38.487 -0.328 0.000 1.093 235 N HN -0.056 nan 8.380 nan 0.000 0.490 236 P HA 0.030 nan 4.420 nan 0.000 0.237 236 P C 0.562 177.801 177.300 -0.102 0.000 1.178 236 P CA 0.390 63.438 63.100 -0.088 0.000 0.766 236 P CB 0.245 31.907 31.700 -0.063 0.000 0.876 237 A N -1.701 120.969 122.820 -0.250 0.000 2.167 237 A HA 0.025 4.373 4.320 0.046 0.000 0.214 237 A C 0.443 178.069 177.584 0.070 0.000 1.151 237 A CA 0.751 52.675 52.037 -0.188 0.000 0.735 237 A CB -0.677 18.115 19.000 -0.347 0.000 0.802 237 A HN 0.070 nan 8.150 nan 0.000 0.467 238 Y N -1.970 118.353 120.300 0.039 0.000 2.650 238 Y HA 0.633 5.210 4.550 0.046 0.000 0.331 238 Y C 0.029 176.005 175.900 0.125 0.000 1.082 238 Y CA -2.202 55.963 58.100 0.108 0.000 1.171 238 Y CB 0.507 38.983 38.460 0.026 0.000 1.326 238 Y HN 0.277 nan 8.280 nan 0.000 0.513 239 H N -0.199 118.996 119.070 0.208 0.000 2.538 239 H HA 0.674 5.258 4.556 0.046 0.000 0.353 239 H C -1.002 174.350 175.328 0.040 0.000 1.109 239 H CA -0.514 55.592 56.048 0.097 0.000 1.192 239 H CB 1.531 31.344 29.762 0.085 0.000 1.555 239 H HN 0.709 nan 8.280 nan 0.000 0.518 240 T N 2.052 116.281 114.554 -0.542 0.000 2.906 240 T HA 0.643 5.021 4.350 0.046 0.000 0.295 240 T C -0.861 173.602 174.700 -0.395 0.000 1.075 240 T CA -1.045 60.834 62.100 -0.368 0.000 1.005 240 T CB 2.238 70.879 68.868 -0.378 0.000 1.136 240 T HN 0.671 nan 8.240 nan 0.000 0.498 241 Q N 0.217 120.004 119.800 -0.022 0.000 2.418 241 Q HA 0.711 5.079 4.340 0.046 0.000 0.282 241 Q C -1.991 174.136 176.000 0.213 0.000 1.044 241 Q CA -1.072 54.792 55.803 0.101 0.000 0.813 241 Q CB 2.949 31.807 28.738 0.199 0.000 1.428 241 Q HN 0.653 nan 8.270 nan 0.000 0.402 242 L N 1.228 122.530 121.223 0.131 0.000 2.439 242 L HA 0.508 4.876 4.340 0.046 0.000 0.270 242 L C -0.526 176.270 176.870 -0.124 0.000 0.972 242 L CA -0.106 54.722 54.840 -0.019 0.000 0.836 242 L CB 2.091 44.191 42.059 0.069 0.000 1.255 242 L HN 0.829 nan 8.230 nan 0.000 0.404 243 S N 3.255 118.737 115.700 -0.362 0.000 2.641 243 S HA 0.444 4.942 4.470 0.046 0.000 0.261 243 S C 0.112 174.573 174.600 -0.231 0.000 1.257 243 S CA -0.569 57.337 58.200 -0.490 0.000 0.983 243 S CB 0.458 63.143 63.200 -0.858 0.000 0.990 243 S HN 0.745 nan 8.310 nan 0.000 0.572 244 Q N 0.887 120.583 119.800 -0.174 0.000 2.454 244 Q HA 0.279 4.646 4.340 0.046 0.000 0.247 244 Q C -2.297 173.636 176.000 -0.112 0.000 1.028 244 Q CA -1.524 54.218 55.803 -0.101 0.000 0.910 244 Q CB -0.352 28.348 28.738 -0.064 0.000 1.276 244 Q HN 0.469 nan 8.270 nan 0.000 0.489 245 P HA -0.060 nan 4.420 nan 0.000 0.269 245 P C -0.095 177.170 177.300 -0.060 0.000 1.209 245 P CA 0.568 63.636 63.100 -0.054 0.000 0.776 245 P CB 0.349 32.046 31.700 -0.005 0.000 0.876 246 I N -0.360 120.186 120.570 -0.040 0.000 4.312 246 I HA 0.359 4.557 4.170 0.046 0.000 0.324 246 I C 0.530 176.655 176.117 0.014 0.000 1.298 246 I CA 0.140 61.431 61.300 -0.015 0.000 1.231 246 I CB 0.173 38.168 38.000 -0.009 0.000 1.152 246 I HN 0.300 nan 8.210 nan 0.000 0.421 247 E N 0.830 121.042 120.200 0.021 0.000 2.435 247 E HA 0.374 4.751 4.350 0.046 0.000 0.277 247 E C -1.337 175.306 176.600 0.071 0.000 1.106 247 E CA -0.809 55.609 56.400 0.030 0.000 0.868 247 E CB 1.218 30.930 29.700 0.021 0.000 1.454 247 E HN -0.068 nan 8.360 nan 0.000 0.452 248 T N 0.664 115.216 114.554 -0.003 0.000 2.859 248 T HA 0.496 4.874 4.350 0.046 0.000 0.281 248 T C -0.509 174.121 174.700 -0.117 0.000 1.005 248 T CA -0.572 61.527 62.100 -0.003 0.000 1.025 248 T CB 1.482 70.275 68.868 -0.126 0.000 0.977 248 T HN 0.309 nan 8.240 nan 0.000 0.458 249 V N 5.455 125.313 119.914 -0.093 0.000 2.435 249 V HA 0.727 4.875 4.120 0.046 0.000 0.290 249 V C -0.021 176.037 176.094 -0.061 0.000 1.030 249 V CA -0.616 61.652 62.300 -0.054 0.000 0.881 249 V CB 1.273 33.090 31.823 -0.010 0.000 0.983 249 V HN 0.879 nan 8.190 nan 0.000 0.445 250 M N 4.969 124.566 119.600 -0.005 0.000 2.721 250 M HA 0.618 5.126 4.480 0.046 0.000 0.271 250 M C -2.048 174.274 176.300 0.037 0.000 1.259 250 M CA -0.738 54.553 55.300 -0.015 0.000 0.835 250 M CB 2.004 34.571 32.600 -0.055 0.000 1.689 250 M HN 0.297 nan 8.290 nan 0.000 0.470 251 L N 1.766 122.975 121.223 -0.024 0.000 2.357 251 L HA 0.792 5.160 4.340 0.046 0.000 0.273 251 L C 0.340 177.280 176.870 0.117 0.000 1.080 251 L CA -0.801 53.996 54.840 -0.071 0.000 0.803 251 L CB 1.511 43.450 42.059 -0.200 0.000 1.174 251 L HN 0.940 nan 8.230 nan 0.000 0.443 252 A N 4.252 127.132 122.820 0.100 0.000 2.276 252 A HA 0.704 5.051 4.320 0.046 0.000 0.316 252 A C -0.557 177.067 177.584 0.067 0.000 1.229 252 A CA -0.526 51.580 52.037 0.113 0.000 0.851 252 A CB 0.494 19.583 19.000 0.148 0.000 1.165 252 A HN 0.640 nan 8.150 nan 0.000 0.513 253 L N 2.408 123.627 121.223 -0.006 0.000 2.295 253 L HA 0.352 4.719 4.340 0.046 0.000 0.285 253 L C 0.255 177.141 176.870 0.026 0.000 1.035 253 L CA -0.938 53.913 54.840 0.018 0.000 0.806 253 L CB 1.176 43.194 42.059 -0.068 0.000 1.214 253 L HN 0.682 nan 8.230 nan 0.000 0.426 254 N N 1.635 120.346 118.700 0.018 0.000 2.415 254 N HA 0.004 4.772 4.740 0.046 0.000 0.250 254 N C 1.102 176.528 175.510 -0.141 0.000 1.127 254 N CA -0.060 52.899 53.050 -0.152 0.000 0.945 254 N CB 1.115 39.358 38.487 -0.406 0.000 1.196 254 N HN 0.734 nan 8.380 nan 0.000 0.499 255 T N 0.067 114.542 114.554 -0.133 0.000 3.098 255 T HA -0.005 4.372 4.350 0.046 0.000 0.266 255 T C 1.177 175.812 174.700 -0.109 0.000 1.145 255 T CA 0.790 62.822 62.100 -0.113 0.000 1.092 255 T CB 0.054 68.853 68.868 -0.115 0.000 0.908 255 T HN 0.354 nan 8.240 nan 0.000 0.526 256 A N 0.088 122.824 122.820 -0.139 0.000 2.387 256 A HA 0.466 4.814 4.320 0.046 0.000 0.234 256 A C 0.684 178.201 177.584 -0.111 0.000 1.253 256 A CA -0.451 51.514 52.037 -0.120 0.000 0.894 256 A CB 0.068 18.988 19.000 -0.134 0.000 0.963 256 A HN 0.479 nan 8.150 nan 0.000 0.508 257 K N 0.477 120.807 120.400 -0.117 0.000 2.471 257 K HA 0.630 4.978 4.320 0.046 0.000 0.252 257 K C -0.382 176.185 176.600 -0.055 0.000 0.938 257 K CA -0.602 55.626 56.287 -0.098 0.000 0.796 257 K CB 1.707 34.117 32.500 -0.150 0.000 1.161 257 K HN 0.160 nan 8.250 nan 0.000 0.425 258 A N 4.429 127.239 122.820 -0.017 0.000 2.531 258 A HA 0.198 4.546 4.320 0.046 0.000 0.236 258 A C -1.751 175.835 177.584 0.003 0.000 1.062 258 A CA -0.677 51.375 52.037 0.026 0.000 0.760 258 A CB -0.092 18.947 19.000 0.065 0.000 0.995 258 A HN 0.723 nan 8.150 nan 0.000 0.501 259 P HA 0.046 nan 4.420 nan 0.000 0.275 259 P C 0.827 178.099 177.300 -0.048 0.000 1.310 259 P CA 0.640 63.748 63.100 0.013 0.000 0.904 259 P CB 0.076 31.687 31.700 -0.149 0.000 1.381 260 T N -1.971 112.542 114.554 -0.068 0.000 3.163 260 T HA -0.089 4.288 4.350 0.046 0.000 0.260 260 T C 1.519 176.186 174.700 -0.055 0.000 1.156 260 T CA 0.530 62.586 62.100 -0.073 0.000 1.072 260 T CB -1.024 67.800 68.868 -0.073 0.000 0.937 260 T HN 0.164 nan 8.240 nan 0.000 0.528 261 N N 1.556 120.237 118.700 -0.032 0.000 2.459 261 N HA -0.092 4.676 4.740 0.046 0.000 0.181 261 N C 0.160 175.669 175.510 -0.002 0.000 1.046 261 N CA 0.330 53.363 53.050 -0.028 0.000 0.904 261 N CB -0.180 38.297 38.487 -0.017 0.000 0.964 261 N HN 0.539 nan 8.380 nan 0.000 0.444 262 E N 0.728 120.944 120.200 0.028 0.000 2.194 262 E HA 0.053 4.431 4.350 0.046 0.000 0.284 262 E C 0.774 177.388 176.600 0.023 0.000 1.035 262 E CA -0.483 55.951 56.400 0.056 0.000 0.836 262 E CB 1.746 31.534 29.700 0.146 0.000 1.070 262 E HN 0.058 nan 8.360 nan 0.000 0.401 263 L N 4.583 125.817 121.223 0.018 0.000 2.043 263 L HA -0.257 4.110 4.340 0.046 0.000 0.212 263 L C 2.030 178.909 176.870 0.016 0.000 1.075 263 L CA 2.520 57.363 54.840 0.004 0.000 0.752 263 L CB -0.481 41.582 42.059 0.007 0.000 0.891 263 L HN 0.684 nan 8.230 nan 0.000 0.432 264 A N -1.410 121.438 122.820 0.046 0.000 1.972 264 A HA -0.115 4.232 4.320 0.046 0.000 0.219 264 A C 2.247 179.848 177.584 0.029 0.000 1.169 264 A CA 1.792 53.864 52.037 0.058 0.000 0.635 264 A CB -0.990 18.068 19.000 0.096 0.000 0.810 264 A HN 0.339 nan 8.150 nan 0.000 0.446 265 V N 0.026 119.939 119.914 -0.002 0.000 2.307 265 V HA -0.252 3.896 4.120 0.046 0.000 0.245 265 V C 2.628 178.674 176.094 -0.080 0.000 1.045 265 V CA 2.166 64.403 62.300 -0.105 0.000 1.024 265 V CB -0.779 30.930 31.823 -0.189 0.000 0.651 265 V HN 0.533 nan 8.190 nan 0.000 0.449 266 R N -0.111 120.353 120.500 -0.060 0.000 2.081 266 R HA -0.179 4.189 4.340 0.046 0.000 0.235 266 R C 2.295 178.562 176.300 -0.056 0.000 1.131 266 R CA 1.710 57.770 56.100 -0.068 0.000 0.960 266 R CB -0.334 29.922 30.300 -0.075 0.000 0.856 266 R HN 0.624 nan 8.270 nan 0.000 0.436 267 E N 0.555 120.742 120.200 -0.022 0.000 2.077 267 E HA -0.177 4.201 4.350 0.046 0.000 0.193 267 E C 2.067 178.731 176.600 0.107 0.000 0.989 267 E CA 1.229 57.639 56.400 0.018 0.000 0.800 267 E CB -0.111 29.637 29.700 0.080 0.000 0.746 267 E HN 0.359 nan 8.360 nan 0.000 0.452 268 A N 1.186 124.062 122.820 0.094 0.000 1.898 268 A HA -0.145 4.203 4.320 0.046 0.000 0.216 268 A C 2.200 179.835 177.584 0.084 0.000 1.181 268 A CA 0.968 53.079 52.037 0.124 0.000 0.620 268 A CB -0.633 18.382 19.000 0.024 0.000 0.819 268 A HN 0.126 nan 8.150 nan 0.000 0.442 269 L N -0.151 121.071 121.223 -0.002 0.000 2.079 269 L HA -0.212 4.156 4.340 0.046 0.000 0.210 269 L C 2.110 178.964 176.870 -0.025 0.000 1.081 269 L CA 1.272 56.096 54.840 -0.026 0.000 0.752 269 L CB -0.724 41.295 42.059 -0.067 0.000 0.896 269 L HN 0.435 nan 8.230 nan 0.000 0.433 270 N N -0.800 117.856 118.700 -0.073 0.000 2.520 270 N HA -0.156 4.612 4.740 0.046 0.000 0.185 270 N C 1.326 176.699 175.510 -0.228 0.000 1.068 270 N CA 1.128 54.077 53.050 -0.169 0.000 0.911 270 N CB 0.109 38.436 38.487 -0.266 0.000 0.961 270 N HN 0.398 nan 8.380 nan 0.000 0.446 271 Y N -0.099 120.193 120.300 -0.012 0.000 2.449 271 Y HA 0.282 4.852 4.550 0.032 0.000 0.254 271 Y C 2.014 177.936 175.900 0.037 0.000 1.140 271 Y CA -0.198 57.903 58.100 0.001 0.000 1.272 271 Y CB 0.188 38.626 38.460 -0.037 0.000 1.114 271 Y HN -0.021 nan 8.280 nan 0.000 0.525 272 A N -0.416 122.511 122.820 0.177 0.000 2.016 272 A HA 0.115 4.463 4.320 0.046 0.000 0.217 272 A C 0.754 178.486 177.584 0.246 0.000 1.162 272 A CA 0.501 52.636 52.037 0.164 0.000 0.662 272 A CB -0.422 18.623 19.000 0.076 0.000 0.812 272 A HN 0.014 nan 8.150 nan 0.000 0.450 273 V N 1.972 121.992 119.914 0.177 0.000 2.432 273 V HA 0.160 4.307 4.120 0.046 0.000 0.275 273 V C -0.089 176.016 176.094 0.018 0.000 1.043 273 V CA -0.796 61.547 62.300 0.072 0.000 0.925 273 V CB 1.149 32.965 31.823 -0.012 0.000 0.985 273 V HN 0.475 nan 8.190 nan 0.000 0.466 274 N N 4.590 123.085 118.700 -0.341 0.000 2.482 274 N HA 0.162 4.930 4.740 0.046 0.000 0.242 274 N C 0.953 176.283 175.510 -0.301 0.000 1.100 274 N CA 0.012 52.644 53.050 -0.697 0.000 0.946 274 N CB 0.711 38.524 38.487 -1.123 0.000 1.227 274 N HN 0.589 nan 8.380 nan 0.000 0.508 275 K N 2.203 122.504 120.400 -0.165 0.000 2.097 275 K HA -0.153 4.195 4.320 0.046 0.000 0.205 275 K C 1.492 178.020 176.600 -0.119 0.000 1.050 275 K CA 1.030 57.245 56.287 -0.120 0.000 0.938 275 K CB 0.220 32.664 32.500 -0.094 0.000 0.718 275 K HN 0.281 nan 8.250 nan 0.000 0.442 276 K N 1.200 121.530 120.400 -0.117 0.000 2.026 276 K HA -0.059 4.289 4.320 0.046 0.000 0.208 276 K C 2.015 178.548 176.600 -0.111 0.000 1.048 276 K CA 1.771 58.001 56.287 -0.095 0.000 0.929 276 K CB -0.217 32.240 32.500 -0.070 0.000 0.713 276 K HN -0.091 nan 8.250 nan 0.000 0.439 277 S N 0.800 116.409 115.700 -0.152 0.000 2.382 277 S HA -0.114 4.384 4.470 0.046 0.000 0.228 277 S C 1.750 176.276 174.600 -0.124 0.000 1.027 277 S CA 1.250 59.362 58.200 -0.147 0.000 0.991 277 S CB -0.414 62.668 63.200 -0.198 0.000 0.823 277 S HN 0.416 nan 8.310 nan 0.000 0.469 278 L N 1.176 122.322 121.223 -0.129 0.000 2.012 278 L HA -0.116 4.252 4.340 0.046 0.000 0.210 278 L C 2.051 178.876 176.870 -0.076 0.000 1.073 278 L CA 1.581 56.364 54.840 -0.095 0.000 0.748 278 L CB -0.256 41.751 42.059 -0.087 0.000 0.891 278 L HN 0.293 nan 8.230 nan 0.000 0.431 279 I N -0.228 120.295 120.570 -0.079 0.000 2.315 279 I HA -0.262 3.936 4.170 0.046 0.000 0.248 279 I C 1.838 177.918 176.117 -0.061 0.000 1.117 279 I CA 1.136 62.398 61.300 -0.065 0.000 1.404 279 I CB -0.369 37.591 38.000 -0.067 0.000 1.071 279 I HN 0.313 nan 8.210 nan 0.000 0.419 280 D N 0.295 120.646 120.400 -0.081 0.000 2.224 280 D HA -0.148 4.520 4.640 0.046 0.000 0.205 280 D C 1.882 178.119 176.300 -0.106 0.000 0.965 280 D CA 0.827 54.763 54.000 -0.108 0.000 0.852 280 D CB -0.283 40.448 40.800 -0.115 0.000 0.947 280 D HN 0.271 nan 8.370 nan 0.000 0.494 281 N N 0.303 118.957 118.700 -0.075 0.000 2.278 281 N HA -0.009 4.758 4.740 0.046 0.000 0.181 281 N C 1.398 176.901 175.510 -0.012 0.000 1.023 281 N CA 1.230 54.248 53.050 -0.053 0.000 0.862 281 N CB 0.298 38.750 38.487 -0.058 0.000 1.003 281 N HN 0.064 nan 8.380 nan 0.000 0.431 282 A N -0.360 122.448 122.820 -0.020 0.000 2.085 282 A HA 0.238 4.586 4.320 0.046 0.000 0.208 282 A C 1.463 179.048 177.584 0.002 0.000 1.191 282 A CA 0.273 52.299 52.037 -0.018 0.000 0.799 282 A CB 0.167 19.136 19.000 -0.051 0.000 0.877 282 A HN 0.220 nan 8.150 nan 0.000 0.473 283 L N -3.139 118.089 121.223 0.009 0.000 2.664 283 L HA 0.351 4.719 4.340 0.046 0.000 0.233 283 L C 0.219 177.167 176.870 0.130 0.000 1.113 283 L CA 0.168 55.019 54.840 0.019 0.000 0.896 283 L CB -0.906 41.138 42.059 -0.025 0.000 1.163 283 L HN 0.472 nan 8.230 nan 0.000 0.497 284 Y N 0.664 120.935 120.300 -0.048 0.000 4.366 284 Y HA -0.148 4.430 4.550 0.046 0.000 0.236 284 Y C 1.381 177.272 175.900 -0.015 0.000 1.142 284 Y CA 0.723 58.806 58.100 -0.028 0.000 2.024 284 Y CB -1.232 37.220 38.460 -0.015 0.000 1.621 284 Y HN 0.296 nan 8.280 nan 0.000 0.694 285 G N -0.518 108.261 108.800 -0.035 0.000 2.166 285 G HA2 -0.386 3.601 3.960 0.046 0.000 0.260 285 G HA3 -0.386 3.601 3.960 0.046 0.000 0.260 285 G C 0.830 175.740 174.900 0.016 0.000 0.986 285 G CA 1.141 46.217 45.100 -0.040 0.000 0.683 285 G HN 1.328 nan 8.290 nan 0.000 0.527 286 T N -3.447 111.133 114.554 0.044 0.000 3.081 286 T HA 0.460 4.838 4.350 0.046 0.000 0.250 286 T C 0.885 175.576 174.700 -0.015 0.000 1.100 286 T CA 1.021 63.146 62.100 0.042 0.000 1.038 286 T CB 0.579 69.465 68.868 0.029 0.000 0.962 286 T HN 0.385 nan 8.240 nan 0.000 0.516 287 Q N 0.396 120.181 119.800 -0.026 0.000 2.814 287 Q HA 0.556 4.924 4.340 0.046 0.000 0.283 287 Q C -0.729 175.258 176.000 -0.022 0.000 1.071 287 Q CA -0.816 54.965 55.803 -0.036 0.000 0.849 287 Q CB 1.116 29.822 28.738 -0.054 0.000 1.437 287 Q HN 0.215 nan 8.270 nan 0.000 0.492 288 Q N 0.293 120.087 119.800 -0.010 0.000 2.301 288 Q HA 0.497 4.865 4.340 0.046 0.000 0.267 288 Q C -0.631 175.332 176.000 -0.063 0.000 1.035 288 Q CA -0.782 55.025 55.803 0.007 0.000 0.856 288 Q CB 2.265 31.061 28.738 0.095 0.000 1.337 288 Q HN 0.337 nan 8.270 nan 0.000 0.450 289 V N 1.222 121.093 119.914 -0.071 0.000 2.614 289 V HA 0.355 4.503 4.120 0.046 0.000 0.291 289 V C -0.009 175.905 176.094 -0.299 0.000 1.049 289 V CA -0.235 61.975 62.300 -0.149 0.000 1.038 289 V CB 1.067 32.843 31.823 -0.079 0.000 0.980 289 V HN 0.805 nan 8.190 nan 0.000 0.481 290 A N 3.335 125.834 122.820 -0.534 0.000 2.288 290 A HA 0.554 4.901 4.320 0.046 0.000 0.320 290 A C 0.371 177.747 177.584 -0.346 0.000 1.217 290 A CA -0.572 50.912 52.037 -0.922 0.000 0.840 290 A CB 0.464 18.653 19.000 -1.352 0.000 1.179 290 A HN 0.868 nan 8.150 nan 0.000 0.504 291 D N 1.009 121.339 120.400 -0.115 0.000 2.417 291 D HA 0.067 4.735 4.640 0.046 0.000 0.207 291 D C 0.410 176.766 176.300 0.094 0.000 1.075 291 D CA 1.263 55.263 54.000 0.001 0.000 0.851 291 D CB 0.706 41.537 40.800 0.053 0.000 0.976 291 D HN 0.686 nan 8.370 nan 0.000 0.505 292 T N -1.947 112.676 114.554 0.114 0.000 2.896 292 T HA 0.277 4.655 4.350 0.046 0.000 0.297 292 T C 0.861 175.598 174.700 0.061 0.000 1.108 292 T CA -0.776 61.409 62.100 0.142 0.000 1.004 292 T CB 2.356 71.263 68.868 0.066 0.000 1.159 292 T HN -0.194 nan 8.240 nan 0.000 0.499 293 L N 0.443 121.638 121.223 -0.046 0.000 2.021 293 L HA 0.203 4.571 4.340 0.046 0.000 0.215 293 L C -0.012 176.494 176.870 -0.607 0.000 1.074 293 L CA 1.772 56.355 54.840 -0.428 0.000 0.760 293 L CB -0.709 41.010 42.059 -0.567 0.000 0.889 293 L HN 0.716 nan 8.230 nan 0.000 0.433 294 F N -0.627 119.309 119.950 -0.024 0.000 2.469 294 F HA 0.608 5.161 4.527 0.044 0.000 0.332 294 F C 0.760 176.507 175.800 -0.089 0.000 1.103 294 F CA -0.789 57.167 58.000 -0.074 0.000 0.979 294 F CB 0.792 39.725 39.000 -0.113 0.000 1.137 294 F HN -0.022 nan 8.300 nan 0.000 0.463 295 A N 3.776 126.482 122.820 -0.190 0.000 2.466 295 A HA 0.249 4.597 4.320 0.046 0.000 0.238 295 A C -1.792 175.684 177.584 -0.181 0.000 1.074 295 A CA -0.981 50.736 52.037 -0.534 0.000 0.774 295 A CB -0.155 18.162 19.000 -1.139 0.000 1.015 295 A HN 0.631 nan 8.150 nan 0.000 0.498 296 P HA -0.110 nan 4.420 nan 0.000 0.225 296 P C 1.330 178.571 177.300 -0.098 0.000 1.148 296 P CA 1.724 64.780 63.100 -0.074 0.000 0.779 296 P CB 0.101 31.773 31.700 -0.047 0.000 0.780 297 S N -2.346 113.272 115.700 -0.137 0.000 2.562 297 S HA 0.035 4.532 4.470 0.046 0.000 0.221 297 S C 0.816 175.338 174.600 -0.131 0.000 0.975 297 S CA -0.082 58.043 58.200 -0.124 0.000 0.918 297 S CB -0.995 62.129 63.200 -0.126 0.000 0.772 297 S HN -0.139 nan 8.310 nan 0.000 0.531 298 V N 3.861 123.690 119.914 -0.142 0.000 2.686 298 V HA 0.270 4.418 4.120 0.046 0.000 0.295 298 V C -2.163 173.807 176.094 -0.207 0.000 1.055 298 V CA -1.833 60.367 62.300 -0.167 0.000 1.050 298 V CB 0.540 32.254 31.823 -0.183 0.000 0.984 298 V HN 0.228 nan 8.190 nan 0.000 0.482 299 P HA 0.070 nan 4.420 nan 0.000 0.265 299 P C -0.553 176.543 177.300 -0.339 0.000 1.193 299 P CA 0.350 63.218 63.100 -0.386 0.000 0.765 299 P CB -0.071 31.431 31.700 -0.330 0.000 0.823 300 Y N 0.439 120.625 120.300 -0.189 0.000 3.825 300 Y HA -0.223 4.353 4.550 0.044 0.000 0.221 300 Y C 1.034 176.829 175.900 -0.176 0.000 1.195 300 Y CA 0.807 58.792 58.100 -0.191 0.000 1.699 300 Y CB -2.707 35.533 38.460 -0.366 0.000 1.531 300 Y HN 0.479 nan 8.280 nan 0.000 0.640 301 A N -0.650 122.135 122.820 -0.058 0.000 2.635 301 A HA 0.211 4.559 4.320 0.046 0.000 0.279 301 A C 0.580 178.162 177.584 -0.003 0.000 1.122 301 A CA -0.211 51.822 52.037 -0.006 0.000 0.965 301 A CB 0.245 19.242 19.000 -0.005 0.000 1.221 301 A HN 0.387 nan 8.150 nan 0.000 0.566 302 N N 1.450 120.135 118.700 -0.024 0.000 2.719 302 N HA 0.317 5.085 4.740 0.046 0.000 0.243 302 N C -0.066 175.443 175.510 -0.001 0.000 1.104 302 N CA -0.030 53.007 53.050 -0.022 0.000 0.981 302 N CB 0.348 38.811 38.487 -0.040 0.000 1.290 302 N HN 0.412 nan 8.380 nan 0.000 0.513 303 L N 1.232 122.457 121.223 0.003 0.000 2.858 303 L HA 0.281 4.649 4.340 0.046 0.000 0.251 303 L C 1.333 178.202 176.870 -0.002 0.000 1.149 303 L CA -0.027 54.821 54.840 0.013 0.000 0.955 303 L CB 0.365 42.439 42.059 0.025 0.000 1.289 303 L HN 0.573 nan 8.230 nan 0.000 0.542 304 G N 1.527 110.320 108.800 -0.013 0.000 2.225 304 G HA2 -0.290 3.697 3.960 0.046 0.000 0.267 304 G HA3 -0.290 3.697 3.960 0.046 0.000 0.267 304 G C 0.288 175.170 174.900 -0.031 0.000 1.024 304 G CA -0.027 45.066 45.100 -0.012 0.000 0.784 304 G HN 0.245 nan 8.290 nan 0.000 0.507 305 L N -0.327 120.840 121.223 -0.093 0.000 2.514 305 L HA 0.165 4.533 4.340 0.046 0.000 0.280 305 L C 1.222 178.028 176.870 -0.107 0.000 1.223 305 L CA 0.196 54.917 54.840 -0.198 0.000 0.864 305 L CB 0.564 42.289 42.059 -0.556 0.000 1.118 305 L HN 0.244 nan 8.230 nan 0.000 0.494 306 K N 4.959 125.373 120.400 0.022 0.000 2.312 306 K HA 0.275 4.623 4.320 0.046 0.000 0.287 306 K C -2.277 174.446 176.600 0.203 0.000 1.062 306 K CA -1.521 54.832 56.287 0.109 0.000 0.934 306 K CB 0.842 33.417 32.500 0.124 0.000 1.027 306 K HN 0.203 nan 8.250 nan 0.000 0.478 307 P HA 0.045 nan 4.420 nan 0.000 0.271 307 P C -1.131 176.188 177.300 0.032 0.000 1.218 307 P CA -0.305 62.855 63.100 0.099 0.000 0.780 307 P CB 0.967 32.706 31.700 0.064 0.000 0.901 308 S N 1.762 117.393 115.700 -0.115 0.000 2.464 308 S HA 0.204 4.702 4.470 0.046 0.000 0.313 308 S C 0.114 174.610 174.600 -0.174 0.000 1.078 308 S CA -0.371 57.590 58.200 -0.398 0.000 1.096 308 S CB -0.198 62.439 63.200 -0.938 0.000 1.032 308 S HN 0.371 nan 8.310 nan 0.000 0.498 309 Q N 1.268 121.106 119.800 0.063 0.000 2.443 309 Q HA 0.189 4.557 4.340 0.046 0.000 0.232 309 Q C -0.387 175.749 176.000 0.227 0.000 1.026 309 Q CA -0.329 55.554 55.803 0.133 0.000 0.924 309 Q CB 0.388 29.207 28.738 0.135 0.000 1.256 309 Q HN 0.667 nan 8.270 nan 0.000 0.519 310 Y N 2.209 122.557 120.300 0.081 0.000 2.754 310 Y HA 0.036 4.614 4.550 0.046 0.000 0.349 310 Y C -0.856 175.106 175.900 0.102 0.000 1.179 310 Y CA 0.344 58.493 58.100 0.082 0.000 1.538 310 Y CB 0.166 38.645 38.460 0.032 0.000 1.200 310 Y HN 0.418 nan 8.280 nan 0.000 0.522 311 D N 9.059 129.290 120.400 -0.281 0.000 2.668 311 D HA 0.219 4.886 4.640 0.046 0.000 0.247 311 D C -2.298 173.823 176.300 -0.299 0.000 1.268 311 D CA -1.739 52.072 54.000 -0.314 0.000 0.842 311 D CB 1.230 41.954 40.800 -0.126 0.000 1.399 311 D HN 0.269 nan 8.370 nan 0.000 0.530 312 P HA -0.176 nan 4.420 nan 0.000 0.216 312 P C 1.491 178.696 177.300 -0.157 0.000 1.150 312 P CA 0.948 63.922 63.100 -0.210 0.000 0.837 312 P CB 0.486 32.072 31.700 -0.190 0.000 0.786 313 Q N 0.520 120.213 119.800 -0.178 0.000 2.061 313 Q HA -0.233 4.135 4.340 0.046 0.000 0.204 313 Q C 2.380 178.282 176.000 -0.164 0.000 0.984 313 Q CA 1.987 57.706 55.803 -0.141 0.000 0.846 313 Q CB -0.322 28.339 28.738 -0.129 0.000 0.902 313 Q HN 0.080 nan 8.270 nan 0.000 0.421 314 K N -0.429 119.821 120.400 -0.250 0.000 2.057 314 K HA -0.164 4.184 4.320 0.046 0.000 0.207 314 K C 1.968 178.393 176.600 -0.291 0.000 1.049 314 K CA 1.211 57.286 56.287 -0.353 0.000 0.931 314 K CB -0.268 31.828 32.500 -0.673 0.000 0.714 314 K HN 0.299 nan 8.250 nan 0.000 0.440 315 A N 1.437 124.134 122.820 -0.205 0.000 1.908 315 A HA -0.219 4.129 4.320 0.046 0.000 0.218 315 A C 1.905 179.461 177.584 -0.046 0.000 1.181 315 A CA 1.865 53.870 52.037 -0.053 0.000 0.627 315 A CB -0.403 18.607 19.000 0.017 0.000 0.818 315 A HN 0.328 nan 8.150 nan 0.000 0.445 316 K N -0.462 119.904 120.400 -0.057 0.000 2.026 316 K HA -0.037 4.311 4.320 0.046 0.000 0.208 316 K C 2.364 178.950 176.600 -0.023 0.000 1.048 316 K CA 1.095 57.364 56.287 -0.030 0.000 0.929 316 K CB -0.346 32.134 32.500 -0.033 0.000 0.713 316 K HN 0.436 nan 8.250 nan 0.000 0.439 317 A N 1.579 124.367 122.820 -0.053 0.000 1.902 317 A HA -0.150 4.198 4.320 0.046 0.000 0.217 317 A C 2.156 179.727 177.584 -0.022 0.000 1.181 317 A CA 1.310 53.322 52.037 -0.043 0.000 0.623 317 A CB -0.711 18.246 19.000 -0.072 0.000 0.818 317 A HN 0.160 nan 8.150 nan 0.000 0.443 318 L N -0.728 120.476 121.223 -0.032 0.000 2.042 318 L HA -0.206 4.162 4.340 0.046 0.000 0.210 318 L C 2.595 179.499 176.870 0.057 0.000 1.076 318 L CA 1.175 56.020 54.840 0.008 0.000 0.749 318 L CB -0.510 41.557 42.059 0.013 0.000 0.893 318 L HN 0.389 nan 8.230 nan 0.000 0.432 319 L N -0.963 120.295 121.223 0.058 0.000 2.027 319 L HA -0.165 4.203 4.340 0.046 0.000 0.206 319 L C 2.754 179.733 176.870 0.182 0.000 1.074 319 L CA 0.995 55.914 54.840 0.130 0.000 0.745 319 L CB -0.581 41.518 42.059 0.067 0.000 0.898 319 L HN 0.257 nan 8.230 nan 0.000 0.433 320 E N 0.501 120.761 120.200 0.101 0.000 2.070 320 E HA -0.308 4.070 4.350 0.046 0.000 0.197 320 E C 2.094 178.730 176.600 0.060 0.000 1.004 320 E CA 1.438 57.883 56.400 0.076 0.000 0.805 320 E CB -0.195 29.527 29.700 0.035 0.000 0.744 320 E HN 0.394 nan 8.360 nan 0.000 0.451 321 K N 0.529 120.959 120.400 0.050 0.000 2.209 321 K HA -0.057 4.291 4.320 0.046 0.000 0.204 321 K C 1.698 178.325 176.600 0.045 0.000 1.048 321 K CA 1.078 57.386 56.287 0.035 0.000 0.940 321 K CB 0.012 32.527 32.500 0.024 0.000 0.729 321 K HN 0.040 nan 8.250 nan 0.000 0.451 322 A N -0.032 122.846 122.820 0.096 0.000 2.251 322 A HA 0.248 4.596 4.320 0.046 0.000 0.209 322 A C 1.131 178.728 177.584 0.021 0.000 1.187 322 A CA 0.592 52.696 52.037 0.111 0.000 0.823 322 A CB -0.218 18.936 19.000 0.258 0.000 0.846 322 A HN 0.514 nan 8.150 nan 0.000 0.486 323 G N -2.531 106.265 108.800 -0.006 0.000 2.132 323 G HA2 -0.255 3.733 3.960 0.046 0.000 0.234 323 G HA3 -0.255 3.733 3.960 0.046 0.000 0.234 323 G C -0.281 174.498 174.900 -0.202 0.000 0.989 323 G CA -0.003 45.020 45.100 -0.128 0.000 0.676 323 G HN 0.453 nan 8.290 nan 0.000 0.522 324 W N 1.833 123.128 121.300 -0.009 0.000 2.295 324 W HA 0.586 5.271 4.660 0.041 0.000 0.333 324 W C 0.890 177.404 176.519 -0.008 0.000 0.990 324 W CA 0.104 57.445 57.345 -0.008 0.000 1.453 324 W CB 0.960 30.416 29.460 -0.006 0.000 1.263 324 W HN 0.410 nan 8.180 nan 0.000 0.380 325 T N -0.176 114.467 114.554 0.148 0.000 2.926 325 T HA 0.727 5.105 4.350 0.046 0.000 0.289 325 T C -0.724 174.028 174.700 0.086 0.000 1.054 325 T CA -1.016 61.141 62.100 0.094 0.000 1.015 325 T CB 1.274 70.164 68.868 0.037 0.000 1.167 325 T HN 0.137 nan 8.240 nan 0.000 0.526 326 L N 2.553 123.812 121.223 0.060 0.000 2.275 326 L HA 0.474 4.841 4.340 0.046 0.000 0.288 326 L C -1.881 175.010 176.870 0.034 0.000 1.046 326 L CA -1.985 52.886 54.840 0.052 0.000 0.805 326 L CB 1.175 43.258 42.059 0.040 0.000 1.193 326 L HN 0.583 nan 8.230 nan 0.000 0.426 327 P HA 0.229 nan 4.420 nan 0.000 0.285 327 P C -0.538 176.772 177.300 0.017 0.000 1.259 327 P CA -0.526 62.586 63.100 0.021 0.000 0.794 327 P CB 1.352 33.065 31.700 0.022 0.000 0.940 328 A N 2.376 125.203 122.820 0.011 0.000 2.608 328 A HA 0.291 4.639 4.320 0.046 0.000 0.239 328 A C 1.563 179.154 177.584 0.011 0.000 1.018 328 A CA 1.167 53.209 52.037 0.009 0.000 0.766 328 A CB -1.421 17.583 19.000 0.006 0.000 0.928 328 A HN 1.016 nan 8.150 nan 0.000 0.512 329 G N 1.890 110.696 108.800 0.011 0.000 2.299 329 G HA2 -0.202 3.785 3.960 0.046 0.000 0.237 329 G HA3 -0.202 3.785 3.960 0.046 0.000 0.237 329 G C 0.299 175.207 174.900 0.014 0.000 1.027 329 G CA 0.625 45.731 45.100 0.011 0.000 0.619 329 G HN 0.855 nan 8.290 nan 0.000 0.513 330 K N 0.735 121.145 120.400 0.017 0.000 2.156 330 K HA 0.573 4.921 4.320 0.046 0.000 0.254 330 K C -0.160 176.454 176.600 0.023 0.000 0.950 330 K CA -0.703 55.597 56.287 0.021 0.000 0.849 330 K CB 1.648 34.164 32.500 0.027 0.000 1.100 330 K HN 0.035 nan 8.250 nan 0.000 0.434 331 D N 0.370 120.784 120.400 0.023 0.000 2.367 331 D HA 0.098 4.765 4.640 0.046 0.000 0.207 331 D C 0.312 176.627 176.300 0.026 0.000 1.034 331 D CA 0.315 54.328 54.000 0.022 0.000 0.861 331 D CB 0.620 41.430 40.800 0.017 0.000 0.943 331 D HN 0.255 nan 8.370 nan 0.000 0.515 332 I N 1.899 122.488 120.570 0.033 0.000 2.336 332 I HA 0.220 4.418 4.170 0.046 0.000 0.292 332 I C 0.879 177.039 176.117 0.072 0.000 0.991 332 I CA -0.659 60.665 61.300 0.040 0.000 1.227 332 I CB 1.037 39.058 38.000 0.035 0.000 1.366 332 I HN -0.348 nan 8.210 nan 0.000 0.466 333 R N 4.594 125.150 120.500 0.094 0.000 2.784 333 R HA 0.309 4.677 4.340 0.046 0.000 0.266 333 R C -0.270 176.203 176.300 0.288 0.000 1.044 333 R CA -0.134 56.077 56.100 0.184 0.000 1.151 333 R CB 0.706 31.149 30.300 0.240 0.000 1.037 333 R HN 0.561 nan 8.270 nan 0.000 0.478 334 E N 0.716 121.086 120.200 0.282 0.000 2.367 334 E HA 0.328 4.706 4.350 0.046 0.000 0.273 334 E C -1.254 175.335 176.600 -0.017 0.000 0.903 334 E CA -0.964 55.565 56.400 0.215 0.000 0.764 334 E CB 2.873 32.625 29.700 0.087 0.000 1.252 334 E HN 0.287 nan 8.360 nan 0.000 0.446 335 K N 1.885 122.062 120.400 -0.372 0.000 2.535 335 K HA 0.223 4.570 4.320 0.046 0.000 0.250 335 K C -0.576 175.762 176.600 -0.436 0.000 0.948 335 K CA -0.424 55.451 56.287 -0.687 0.000 0.796 335 K CB 0.898 32.377 32.500 -1.702 0.000 1.216 335 K HN 0.591 nan 8.250 nan 0.000 0.432 336 N N 2.698 121.232 118.700 -0.277 0.000 2.754 336 N HA -0.209 4.559 4.740 0.046 0.000 0.248 336 N C 0.487 175.932 175.510 -0.108 0.000 1.093 336 N CA 1.507 54.454 53.050 -0.173 0.000 0.699 336 N CB -0.816 37.563 38.487 -0.180 0.000 1.016 336 N HN 1.140 nan 8.380 nan 0.000 0.552 337 G N -1.116 107.633 108.800 -0.085 0.000 2.284 337 G HA2 -0.351 3.637 3.960 0.046 0.000 0.261 337 G HA3 -0.351 3.637 3.960 0.046 0.000 0.261 337 G C 0.001 174.898 174.900 -0.004 0.000 0.997 337 G CA 0.716 45.794 45.100 -0.036 0.000 0.621 337 G HN 0.427 nan 8.290 nan 0.000 0.534 338 Q N 1.478 121.275 119.800 -0.004 0.000 2.286 338 Q HA 0.462 4.830 4.340 0.046 0.000 0.257 338 Q C -2.243 173.881 176.000 0.207 0.000 0.941 338 Q CA -1.938 53.916 55.803 0.085 0.000 0.912 338 Q CB 1.265 30.073 28.738 0.117 0.000 1.192 338 Q HN 0.326 nan 8.270 nan 0.000 0.410 339 P HA 0.053 nan 4.420 nan 0.000 0.274 339 P C -0.452 177.006 177.300 0.265 0.000 1.231 339 P CA -0.670 62.559 63.100 0.216 0.000 0.790 339 P CB 0.515 32.280 31.700 0.108 0.000 0.951 340 L N 2.870 124.188 121.223 0.159 0.000 2.387 340 L HA 0.263 4.631 4.340 0.046 0.000 0.267 340 L C 0.137 176.928 176.870 -0.133 0.000 1.197 340 L CA 0.298 55.007 54.840 -0.219 0.000 1.070 340 L CB -1.210 40.601 42.059 -0.414 0.000 1.349 340 L HN 0.234 nan 8.230 nan 0.000 0.422 341 R N 5.255 125.710 120.500 -0.074 0.000 2.562 341 R HA 0.643 5.010 4.340 0.046 0.000 0.298 341 R C -1.577 174.690 176.300 -0.055 0.000 0.961 341 R CA -0.655 55.420 56.100 -0.042 0.000 0.881 341 R CB 1.283 31.586 30.300 0.004 0.000 1.159 341 R HN 0.610 nan 8.270 nan 0.000 0.450 342 I N 2.661 123.203 120.570 -0.046 0.000 2.569 342 I HA 0.292 4.489 4.170 0.046 0.000 0.290 342 I C -0.367 175.750 176.117 -0.000 0.000 1.088 342 I CA -0.732 60.546 61.300 -0.037 0.000 1.047 342 I CB 2.563 40.524 38.000 -0.064 0.000 1.237 342 I HN 0.437 nan 8.210 nan 0.000 0.421 343 E N 4.962 125.175 120.200 0.022 0.000 2.216 343 E HA 0.455 4.833 4.350 0.046 0.000 0.279 343 E C -1.211 175.437 176.600 0.079 0.000 0.997 343 E CA -0.865 55.566 56.400 0.052 0.000 0.817 343 E CB 2.509 32.242 29.700 0.055 0.000 1.096 343 E HN 0.238 nan 8.360 nan 0.000 0.393 344 L N 2.848 124.136 121.223 0.108 0.000 2.316 344 L HA 0.282 4.649 4.340 0.046 0.000 0.280 344 L C -0.774 176.260 176.870 0.274 0.000 1.006 344 L CA -0.363 54.560 54.840 0.138 0.000 0.836 344 L CB 1.134 43.251 42.059 0.096 0.000 1.221 344 L HN 0.439 nan 8.230 nan 0.000 0.418 345 S N 4.476 120.306 115.700 0.216 0.000 2.525 345 S HA 0.903 5.401 4.470 0.046 0.000 0.290 345 S C -0.468 174.316 174.600 0.307 0.000 1.152 345 S CA -0.555 57.738 58.200 0.154 0.000 1.072 345 S CB 1.088 64.316 63.200 0.047 0.000 1.027 345 S HN 0.605 nan 8.310 nan 0.000 0.500 346 F N -1.373 118.638 119.950 0.101 0.000 2.779 346 F HA 0.623 5.178 4.527 0.046 0.000 0.316 346 F C -1.337 174.454 175.800 -0.016 0.000 1.164 346 F CA -1.745 56.320 58.000 0.109 0.000 0.924 346 F CB 0.714 39.824 39.000 0.183 0.000 1.348 346 F HN 0.423 nan 8.300 nan 0.000 0.467 347 I N 2.232 122.834 120.570 0.054 0.000 2.436 347 I HA 0.200 4.398 4.170 0.046 0.000 0.289 347 I C 1.386 177.479 176.117 -0.040 0.000 1.083 347 I CA 0.169 61.413 61.300 -0.094 0.000 1.372 347 I CB 1.008 38.957 38.000 -0.085 0.000 1.408 347 I HN 1.022 nan 8.210 nan 0.000 0.516 348 G N 3.839 112.516 108.800 -0.205 0.000 2.470 348 G HA2 -0.213 3.775 3.960 0.046 0.000 0.220 348 G HA3 -0.213 3.775 3.960 0.046 0.000 0.220 348 G C 1.348 176.254 174.900 0.009 0.000 1.121 348 G CA 1.150 46.159 45.100 -0.151 0.000 0.766 348 G HN 0.680 nan 8.290 nan 0.000 0.553 349 T N -2.510 112.030 114.554 -0.024 0.000 3.086 349 T HA 0.123 4.500 4.350 0.046 0.000 0.250 349 T C 0.545 175.236 174.700 -0.015 0.000 1.074 349 T CA 0.057 62.146 62.100 -0.018 0.000 0.988 349 T CB 0.379 69.222 68.868 -0.043 0.000 0.988 349 T HN 0.092 nan 8.240 nan 0.000 0.530 350 D N 1.544 121.944 120.400 -0.001 0.000 2.393 350 D HA 0.471 5.139 4.640 0.046 0.000 0.232 350 D C 1.300 177.571 176.300 -0.048 0.000 1.192 350 D CA -0.176 53.800 54.000 -0.040 0.000 0.882 350 D CB 1.232 41.997 40.800 -0.059 0.000 1.038 350 D HN 0.196 nan 8.370 nan 0.000 0.499 351 A N 4.690 127.472 122.820 -0.064 0.000 1.972 351 A HA -0.138 4.209 4.320 0.046 0.000 0.219 351 A C 2.104 179.617 177.584 -0.117 0.000 1.169 351 A CA 0.753 52.748 52.037 -0.069 0.000 0.635 351 A CB -0.320 18.642 19.000 -0.063 0.000 0.810 351 A HN 0.700 nan 8.150 nan 0.000 0.446 352 L N -1.106 120.028 121.223 -0.148 0.000 2.127 352 L HA -0.070 4.297 4.340 0.046 0.000 0.203 352 L C 2.670 179.369 176.870 -0.285 0.000 1.080 352 L CA 1.325 56.055 54.840 -0.183 0.000 0.768 352 L CB -0.259 41.693 42.059 -0.179 0.000 0.924 352 L HN 0.358 nan 8.230 nan 0.000 0.444 353 S N 0.007 115.494 115.700 -0.355 0.000 2.359 353 S HA -0.279 4.219 4.470 0.046 0.000 0.224 353 S C 1.863 176.059 174.600 -0.674 0.000 1.035 353 S CA 1.866 59.674 58.200 -0.654 0.000 1.018 353 S CB -0.196 62.702 63.200 -0.503 0.000 0.876 353 S HN 0.335 nan 8.310 nan 0.000 0.448 354 K N 0.943 121.085 120.400 -0.429 0.000 2.057 354 K HA -0.065 4.283 4.320 0.046 0.000 0.207 354 K C 2.292 178.690 176.600 -0.337 0.000 1.049 354 K CA 1.480 57.485 56.287 -0.470 0.000 0.931 354 K CB -0.256 32.207 32.500 -0.062 0.000 0.714 354 K HN 0.180 nan 8.250 nan 0.000 0.440 355 S N 0.969 116.536 115.700 -0.222 0.000 2.353 355 S HA -0.162 4.336 4.470 0.046 0.000 0.222 355 S C 1.903 176.420 174.600 -0.138 0.000 1.035 355 S CA 1.865 59.977 58.200 -0.147 0.000 1.025 355 S CB -0.202 62.929 63.200 -0.115 0.000 0.902 355 S HN 0.326 nan 8.310 nan 0.000 0.440 356 M N 0.954 120.458 119.600 -0.159 0.000 2.108 356 M HA -0.125 4.383 4.480 0.046 0.000 0.261 356 M C 2.445 178.764 176.300 0.032 0.000 1.066 356 M CA 1.497 56.769 55.300 -0.047 0.000 1.107 356 M CB -0.578 32.016 32.600 -0.010 0.000 1.356 356 M HN 0.392 nan 8.290 nan 0.000 0.406 357 A N 0.142 122.931 122.820 -0.053 0.000 1.933 357 A HA -0.147 4.200 4.320 0.046 0.000 0.218 357 A C 2.051 179.580 177.584 -0.092 0.000 1.175 357 A CA 1.437 53.437 52.037 -0.063 0.000 0.628 357 A CB -0.524 18.166 19.000 -0.517 0.000 0.814 357 A HN 0.429 nan 8.150 nan 0.000 0.444 358 E N -0.108 120.022 120.200 -0.117 0.000 2.077 358 E HA -0.157 4.220 4.350 0.046 0.000 0.193 358 E C 2.000 178.575 176.600 -0.042 0.000 0.989 358 E CA 1.146 57.509 56.400 -0.061 0.000 0.800 358 E CB -0.353 29.314 29.700 -0.056 0.000 0.746 358 E HN 0.734 nan 8.360 nan 0.000 0.452 359 I N 0.944 121.486 120.570 -0.046 0.000 2.179 359 I HA -0.285 3.913 4.170 0.046 0.000 0.242 359 I C 2.485 178.580 176.117 -0.037 0.000 1.088 359 I CA 1.015 62.289 61.300 -0.042 0.000 1.357 359 I CB -0.276 37.694 38.000 -0.049 0.000 1.051 359 I HN 0.036 nan 8.210 nan 0.000 0.409 360 I N 0.286 120.835 120.570 -0.034 0.000 2.163 360 I HA -0.363 3.835 4.170 0.046 0.000 0.243 360 I C 2.732 178.828 176.117 -0.034 0.000 1.085 360 I CA 1.565 62.840 61.300 -0.042 0.000 1.347 360 I CB -0.468 37.490 38.000 -0.070 0.000 1.044 360 I HN 0.366 nan 8.210 nan 0.000 0.408 361 Q N 1.112 120.895 119.800 -0.028 0.000 2.096 361 Q HA -0.259 4.109 4.340 0.046 0.000 0.204 361 Q C 2.307 178.302 176.000 -0.009 0.000 0.982 361 Q CA 2.101 57.896 55.803 -0.014 0.000 0.850 361 Q CB -0.120 28.618 28.738 -0.000 0.000 0.901 361 Q HN 0.555 nan 8.270 nan 0.000 0.422 362 A N 0.950 123.763 122.820 -0.011 0.000 1.873 362 A HA -0.203 4.145 4.320 0.046 0.000 0.215 362 A C 1.690 179.277 177.584 0.004 0.000 1.186 362 A CA 1.748 53.782 52.037 -0.004 0.000 0.616 362 A CB -0.640 18.355 19.000 -0.009 0.000 0.823 362 A HN 0.476 nan 8.150 nan 0.000 0.442 363 D N -0.380 120.021 120.400 0.002 0.000 2.117 363 D HA -0.131 4.537 4.640 0.046 0.000 0.197 363 D C 1.996 178.318 176.300 0.036 0.000 0.987 363 D CA 1.389 55.407 54.000 0.030 0.000 0.829 363 D CB -0.336 40.477 40.800 0.021 0.000 0.961 363 D HN 0.484 nan 8.370 nan 0.000 0.460 364 M N -0.336 119.269 119.600 0.008 0.000 2.254 364 M HA -0.040 4.468 4.480 0.046 0.000 0.265 364 M C 2.221 178.517 176.300 -0.007 0.000 1.066 364 M CA 0.673 55.971 55.300 -0.004 0.000 1.123 364 M CB -0.007 32.576 32.600 -0.029 0.000 1.388 364 M HN -0.117 nan 8.290 nan 0.000 0.425 365 R N 0.349 120.848 120.500 -0.002 0.000 2.127 365 R HA -0.168 4.199 4.340 0.046 0.000 0.238 365 R C 2.093 178.398 176.300 0.008 0.000 1.134 365 R CA 1.306 57.407 56.100 0.001 0.000 0.975 365 R CB 0.014 30.316 30.300 0.004 0.000 0.865 365 R HN 0.374 nan 8.270 nan 0.000 0.447 366 Q N 0.202 120.013 119.800 0.018 0.000 2.291 366 Q HA -0.119 4.249 4.340 0.046 0.000 0.205 366 Q C 1.604 177.614 176.000 0.018 0.000 0.970 366 Q CA 1.061 56.880 55.803 0.025 0.000 0.876 366 Q CB 0.168 28.935 28.738 0.048 0.000 0.935 366 Q HN 0.507 nan 8.270 nan 0.000 0.455 367 I N -4.635 115.942 120.570 0.012 0.000 3.904 367 I HA 0.428 4.625 4.170 0.046 0.000 0.333 367 I C 0.917 177.029 176.117 -0.009 0.000 1.361 367 I CA 0.359 61.658 61.300 -0.001 0.000 1.116 367 I CB 0.405 38.404 38.000 -0.002 0.000 1.028 367 I HN 0.036 nan 8.210 nan 0.000 0.398 368 G N 0.777 109.573 108.800 -0.006 0.000 2.137 368 G HA2 -0.037 3.951 3.960 0.046 0.000 0.237 368 G HA3 -0.037 3.951 3.960 0.046 0.000 0.237 368 G C 0.226 175.108 174.900 -0.029 0.000 1.002 368 G CA -0.093 45.005 45.100 -0.004 0.000 0.702 368 G HN 0.997 nan 8.290 nan 0.000 0.515 369 A N -0.113 122.675 122.820 -0.054 0.000 2.292 369 A HA 0.650 4.997 4.320 0.046 0.000 0.319 369 A C -0.209 177.344 177.584 -0.051 0.000 1.206 369 A CA -0.051 51.931 52.037 -0.091 0.000 0.835 369 A CB 1.062 19.991 19.000 -0.119 0.000 1.164 369 A HN 0.352 nan 8.150 nan 0.000 0.505 370 D N 2.679 123.051 120.400 -0.047 0.000 2.428 370 D HA 0.375 5.043 4.640 0.046 0.000 0.221 370 D C -0.703 175.584 176.300 -0.022 0.000 1.123 370 D CA 0.046 54.034 54.000 -0.020 0.000 0.869 370 D CB 0.836 41.633 40.800 -0.005 0.000 1.032 370 D HN 0.133 nan 8.370 nan 0.000 0.506 371 V N 3.393 123.299 119.914 -0.014 0.000 2.432 371 V HA 0.245 4.393 4.120 0.046 0.000 0.271 371 V C 0.544 176.653 176.094 0.024 0.000 1.046 371 V CA -0.426 61.873 62.300 -0.003 0.000 0.945 371 V CB 1.314 33.131 31.823 -0.009 0.000 0.992 371 V HN 0.498 nan 8.190 nan 0.000 0.471 372 S N 5.941 121.663 115.700 0.037 0.000 2.457 372 S HA 0.523 5.020 4.470 0.046 0.000 0.289 372 S C -0.368 174.293 174.600 0.101 0.000 1.163 372 S CA -0.517 57.718 58.200 0.058 0.000 1.078 372 S CB 0.826 64.052 63.200 0.043 0.000 0.987 372 S HN 0.402 nan 8.310 nan 0.000 0.482 373 L N 4.471 125.780 121.223 0.144 0.000 2.305 373 L HA 0.432 4.800 4.340 0.046 0.000 0.281 373 L C -0.262 176.712 176.870 0.174 0.000 1.085 373 L CA 0.017 55.029 54.840 0.286 0.000 0.813 373 L CB 0.624 42.900 42.059 0.361 0.000 1.157 373 L HN 0.527 nan 8.230 nan 0.000 0.436 374 I N 3.590 124.214 120.570 0.090 0.000 2.537 374 I HA 0.306 4.503 4.170 0.046 0.000 0.276 374 I C 0.608 176.413 176.117 -0.519 0.000 1.063 374 I CA -0.435 60.791 61.300 -0.123 0.000 1.144 374 I CB 1.047 39.017 38.000 -0.050 0.000 1.252 374 I HN 0.577 nan 8.210 nan 0.000 0.480 375 G N 5.499 113.880 108.800 -0.698 0.000 2.327 375 G HA2 0.629 4.617 3.960 0.046 0.000 0.302 375 G HA3 0.629 4.617 3.960 0.046 0.000 0.302 375 G C -0.242 174.368 174.900 -0.483 0.000 1.113 375 G CA -0.171 44.284 45.100 -1.076 0.000 0.921 375 G HN 0.538 nan 8.290 nan 0.000 0.425 376 E N 0.774 120.721 120.200 -0.422 0.000 2.433 376 E HA 0.225 4.603 4.350 0.046 0.000 0.273 376 E C -0.342 176.128 176.600 -0.218 0.000 0.950 376 E CA -0.870 55.382 56.400 -0.247 0.000 0.796 376 E CB 2.109 31.689 29.700 -0.200 0.000 1.330 376 E HN 0.741 nan 8.360 nan 0.000 0.455 377 E N 0.834 120.933 120.200 -0.169 0.000 2.409 377 E HA -0.023 4.355 4.350 0.046 0.000 0.257 377 E C 0.496 176.954 176.600 -0.237 0.000 1.150 377 E CA -0.146 56.153 56.400 -0.169 0.000 0.942 377 E CB 0.928 30.554 29.700 -0.123 0.000 0.979 377 E HN 0.633 nan 8.360 nan 0.000 0.447 378 E N 1.062 121.092 120.200 -0.283 0.000 2.070 378 E HA -0.299 4.079 4.350 0.046 0.000 0.197 378 E C 1.980 178.196 176.600 -0.640 0.000 1.004 378 E CA 1.879 57.961 56.400 -0.530 0.000 0.805 378 E CB -0.117 29.342 29.700 -0.401 0.000 0.744 378 E HN 0.619 nan 8.360 nan 0.000 0.451 379 S N -0.663 114.857 115.700 -0.300 0.000 2.399 379 S HA -0.131 4.367 4.470 0.046 0.000 0.231 379 S C 2.056 176.584 174.600 -0.119 0.000 1.022 379 S CA 1.625 59.742 58.200 -0.139 0.000 0.983 379 S CB -0.192 62.979 63.200 -0.048 0.000 0.803 379 S HN 0.222 nan 8.310 nan 0.000 0.480 380 S N 1.108 116.717 115.700 -0.152 0.000 2.387 380 S HA 0.076 4.574 4.470 0.046 0.000 0.226 380 S C 1.724 176.265 174.600 -0.098 0.000 1.026 380 S CA 0.997 59.136 58.200 -0.102 0.000 0.972 380 S CB -0.257 62.879 63.200 -0.107 0.000 0.814 380 S HN 0.472 nan 8.310 nan 0.000 0.477 381 I N 0.605 121.059 120.570 -0.194 0.000 2.286 381 I HA -0.072 4.125 4.170 0.046 0.000 0.245 381 I C 1.940 178.045 176.117 -0.019 0.000 1.104 381 I CA 1.224 62.437 61.300 -0.147 0.000 1.397 381 I CB -1.466 36.393 38.000 -0.236 0.000 1.072 381 I HN 0.265 nan 8.210 nan 0.000 0.417 382 Y N 1.438 121.712 120.300 -0.044 0.000 2.207 382 Y HA -0.130 4.448 4.550 0.046 0.000 0.287 382 Y C 2.727 178.606 175.900 -0.036 0.000 1.156 382 Y CA 0.733 58.800 58.100 -0.055 0.000 1.182 382 Y CB -1.440 36.980 38.460 -0.066 0.000 0.979 382 Y HN 0.136 nan 8.280 nan 0.000 0.521 383 A N 0.102 123.002 122.820 0.133 0.000 1.930 383 A HA -0.176 4.172 4.320 0.046 0.000 0.217 383 A C 2.378 180.021 177.584 0.098 0.000 1.175 383 A CA 1.400 53.488 52.037 0.086 0.000 0.627 383 A CB -0.527 18.501 19.000 0.047 0.000 0.815 383 A HN 0.381 nan 8.150 nan 0.000 0.443 384 R N -0.616 119.947 120.500 0.105 0.000 2.092 384 R HA -0.126 4.242 4.340 0.046 0.000 0.231 384 R C 2.468 178.933 176.300 0.275 0.000 1.119 384 R CA 1.581 57.785 56.100 0.172 0.000 0.970 384 R CB -0.293 30.101 30.300 0.156 0.000 0.864 384 R HN 0.680 nan 8.270 nan 0.000 0.440 385 Q N 0.030 119.926 119.800 0.161 0.000 2.050 385 Q HA -0.142 4.226 4.340 0.046 0.000 0.202 385 Q C 2.120 178.243 176.000 0.205 0.000 0.980 385 Q CA 1.330 57.201 55.803 0.114 0.000 0.840 385 Q CB -0.060 28.671 28.738 -0.012 0.000 0.898 385 Q HN 0.296 nan 8.270 nan 0.000 0.424 386 R N 0.749 121.327 120.500 0.129 0.000 2.148 386 R HA -0.114 4.254 4.340 0.046 0.000 0.227 386 R C 0.906 177.285 176.300 0.132 0.000 1.103 386 R CA 1.435 57.595 56.100 0.099 0.000 0.983 386 R CB 0.039 30.366 30.300 0.046 0.000 0.874 386 R HN 0.389 nan 8.270 nan 0.000 0.451 387 D N -1.914 118.573 120.400 0.145 0.000 2.535 387 D HA 0.085 4.753 4.640 0.046 0.000 0.229 387 D C 0.832 177.190 176.300 0.097 0.000 1.238 387 D CA 0.330 54.394 54.000 0.107 0.000 0.824 387 D CB 0.548 41.388 40.800 0.068 0.000 1.045 387 D HN 0.163 nan 8.370 nan 0.000 0.500 388 G N 1.428 110.318 108.800 0.151 0.000 2.155 388 G HA2 -0.347 3.641 3.960 0.046 0.000 0.257 388 G HA3 -0.347 3.641 3.960 0.046 0.000 0.257 388 G C 0.369 175.113 174.900 -0.260 0.000 0.983 388 G CA -0.069 44.948 45.100 -0.139 0.000 0.676 388 G HN 0.425 nan 8.290 nan 0.000 0.528 389 R N -0.007 120.506 120.500 0.023 0.000 4.164 389 R HA 0.467 4.835 4.340 0.046 0.000 0.195 389 R C -0.031 176.362 176.300 0.154 0.000 1.712 389 R CA 0.594 56.712 56.100 0.030 0.000 1.457 389 R CB -0.750 29.590 30.300 0.066 0.000 1.387 389 R HN 0.662 nan 8.270 nan 0.000 0.785 390 F N -4.491 115.458 119.950 -0.002 0.000 2.719 390 F HA 0.519 5.072 4.527 0.044 0.000 0.309 390 F C 0.481 176.271 175.800 -0.017 0.000 1.138 390 F CA -1.301 56.695 58.000 -0.006 0.000 0.943 390 F CB 0.558 39.558 39.000 -0.001 0.000 1.304 390 F HN -0.022 nan 8.300 nan 0.000 0.445 391 G N 0.900 109.809 108.800 0.182 0.000 2.524 391 G HA2 0.341 4.329 3.960 0.046 0.000 0.210 391 G HA3 0.341 4.329 3.960 0.046 0.000 0.210 391 G C -0.079 174.953 174.900 0.221 0.000 1.187 391 G CA 0.039 45.196 45.100 0.095 0.000 0.825 391 G HN 0.496 nan 8.290 nan 0.000 0.558 392 M N -0.057 119.677 119.600 0.223 0.000 2.518 392 M HA 0.599 5.107 4.480 0.046 0.000 0.300 392 M C -1.752 174.564 176.300 0.028 0.000 1.175 392 M CA -0.485 54.890 55.300 0.124 0.000 0.890 392 M CB 3.312 35.892 32.600 -0.033 0.000 1.710 392 M HN 0.074 nan 8.290 nan 0.000 0.453 393 I N 1.054 121.527 120.570 -0.161 0.000 2.686 393 I HA 0.498 4.695 4.170 0.046 0.000 0.295 393 I C -1.268 174.740 176.117 -0.182 0.000 1.114 393 I CA -0.625 60.532 61.300 -0.239 0.000 1.038 393 I CB 2.026 39.608 38.000 -0.697 0.000 1.238 393 I HN 0.527 nan 8.210 nan 0.000 0.420 394 F N 5.698 125.651 119.950 0.006 0.000 2.518 394 F HA 0.253 4.809 4.527 0.049 0.000 0.359 394 F C 0.374 176.248 175.800 0.124 0.000 1.118 394 F CA 0.944 58.975 58.000 0.052 0.000 1.287 394 F CB 0.309 39.343 39.000 0.057 0.000 1.132 394 F HN 0.481 nan 8.300 nan 0.000 0.587 395 H N 2.233 121.419 119.070 0.194 0.000 2.960 395 H HA 0.683 5.266 4.556 0.045 0.000 0.323 395 H C -1.237 174.166 175.328 0.124 0.000 1.326 395 H CA -1.299 54.846 56.048 0.161 0.000 1.124 395 H CB 1.680 31.536 29.762 0.157 0.000 1.853 395 H HN 0.629 nan 8.280 nan 0.000 0.536 396 R N -0.191 120.204 120.500 -0.175 0.000 2.716 396 R HA 0.504 4.872 4.340 0.046 0.000 0.271 396 R C -0.994 175.015 176.300 -0.483 0.000 1.028 396 R CA -0.502 55.453 56.100 -0.241 0.000 0.883 396 R CB 0.990 31.273 30.300 -0.029 0.000 1.250 396 R HN 0.721 nan 8.270 nan 0.000 0.465 397 T N -2.641 111.559 114.554 -0.589 0.000 2.814 397 T HA 0.347 4.724 4.350 0.046 0.000 0.284 397 T C 0.047 174.676 174.700 -0.118 0.000 0.998 397 T CA -0.542 60.990 62.100 -0.946 0.000 0.935 397 T CB 0.618 68.899 68.868 -0.978 0.000 1.167 397 T HN 0.672 nan 8.240 nan 0.000 0.545 398 W N 0.258 121.466 121.300 -0.154 0.000 3.005 398 W HA 0.524 5.215 4.660 0.051 0.000 0.374 398 W C 1.258 177.803 176.519 0.043 0.000 1.076 398 W CA -0.339 56.974 57.345 -0.054 0.000 1.794 398 W CB -1.494 27.926 29.460 -0.067 0.000 1.113 398 W HN 1.395 nan 8.180 nan 0.000 0.584 399 G N 1.451 110.395 108.800 0.240 0.000 2.877 399 G HA2 0.045 4.033 3.960 0.046 0.000 0.279 399 G HA3 0.045 4.033 3.960 0.046 0.000 0.279 399 G C 0.127 175.182 174.900 0.258 0.000 1.431 399 G CA -0.510 44.712 45.100 0.204 0.000 0.883 399 G HN 0.475 nan 8.290 nan 0.000 0.547 400 A N 0.594 123.515 122.820 0.168 0.000 2.407 400 A HA 0.678 5.025 4.320 0.046 0.000 0.248 400 A C -0.514 177.058 177.584 -0.020 0.000 1.082 400 A CA -0.094 51.989 52.037 0.076 0.000 0.785 400 A CB 0.618 19.707 19.000 0.150 0.000 1.020 400 A HN 0.796 nan 8.150 nan 0.000 0.489 401 P HA 0.116 nan 4.420 nan 0.000 0.258 401 P C -0.021 177.137 177.300 -0.236 0.000 1.416 401 P CA 0.411 63.164 63.100 -0.578 0.000 0.927 401 P CB -0.096 30.857 31.700 -1.244 0.000 1.444 402 Y N -0.143 120.184 120.300 0.046 0.000 2.373 402 Y HA 0.015 4.593 4.550 0.045 0.000 0.293 402 Y C 0.876 176.785 175.900 0.015 0.000 1.129 402 Y CA 0.588 58.759 58.100 0.118 0.000 1.226 402 Y CB -0.531 38.172 38.460 0.404 0.000 1.000 402 Y HN -0.049 nan 8.280 nan 0.000 0.549 403 D N 0.932 121.414 120.400 0.136 0.000 2.198 403 D HA 0.141 4.809 4.640 0.046 0.000 0.245 403 D C -1.622 174.520 176.300 -0.264 0.000 1.079 403 D CA -1.984 51.956 54.000 -0.099 0.000 0.854 403 D CB 1.397 42.163 40.800 -0.056 0.000 1.148 403 D HN 0.079 nan 8.370 nan 0.000 0.456 404 P HA -0.037 nan 4.420 nan 0.000 0.252 404 P C 1.187 178.413 177.300 -0.123 0.000 1.211 404 P CA 0.446 63.139 63.100 -0.678 0.000 0.824 404 P CB 0.285 31.360 31.700 -1.041 0.000 1.077 405 H N 1.009 120.077 119.070 -0.003 0.000 2.321 405 H HA 0.022 4.606 4.556 0.046 0.000 0.300 405 H C 1.529 176.977 175.328 0.200 0.000 1.087 405 H CA 1.801 57.941 56.048 0.153 0.000 1.319 405 H CB -0.817 28.993 29.762 0.080 0.000 1.379 405 H HN 0.022 nan 8.280 nan 0.000 0.501 406 A N 0.694 123.029 122.820 -0.809 0.000 1.930 406 A HA -0.021 4.327 4.320 0.046 0.000 0.215 406 A C 2.401 180.044 177.584 0.099 0.000 1.176 406 A CA 0.666 52.581 52.037 -0.203 0.000 0.632 406 A CB -1.129 17.946 19.000 0.124 0.000 0.819 406 A HN 0.433 nan 8.150 nan 0.000 0.445 407 F N 0.073 119.932 119.950 -0.151 0.000 2.134 407 F HA -0.154 4.399 4.527 0.043 0.000 0.299 407 F C 1.843 177.557 175.800 -0.143 0.000 1.097 407 F CA 1.420 59.136 58.000 -0.473 0.000 1.264 407 F CB -0.060 38.716 39.000 -0.373 0.000 1.001 407 F HN 0.159 nan 8.300 nan 0.000 0.479 408 L N -0.271 121.021 121.223 0.115 0.000 2.046 408 L HA -0.210 4.158 4.340 0.046 0.000 0.208 408 L C 2.788 179.698 176.870 0.067 0.000 1.077 408 L CA 1.944 56.864 54.840 0.134 0.000 0.747 408 L CB -1.479 40.758 42.059 0.297 0.000 0.896 408 L HN 0.225 nan 8.230 nan 0.000 0.432 409 S N -0.768 114.991 115.700 0.099 0.000 2.372 409 S HA -0.251 4.247 4.470 0.046 0.000 0.227 409 S C 2.246 176.872 174.600 0.043 0.000 1.044 409 S CA 1.947 60.214 58.200 0.111 0.000 1.050 409 S CB -0.403 62.899 63.200 0.171 0.000 0.901 409 S HN 0.658 nan 8.310 nan 0.000 0.447 410 S N 0.467 116.160 115.700 -0.011 0.000 2.507 410 S HA 0.044 4.542 4.470 0.046 0.000 0.235 410 S C 1.774 176.275 174.600 -0.165 0.000 0.988 410 S CA 0.880 59.002 58.200 -0.129 0.000 0.944 410 S CB -0.577 62.599 63.200 -0.040 0.000 0.762 410 S HN 0.602 nan 8.310 nan 0.000 0.526 411 M N 0.782 120.327 119.600 -0.092 0.000 2.446 411 M HA 0.031 4.539 4.480 0.046 0.000 0.263 411 M C 2.185 178.609 176.300 0.208 0.000 1.066 411 M CA 1.092 56.416 55.300 0.040 0.000 1.087 411 M CB -0.268 32.360 32.600 0.047 0.000 1.406 411 M HN 0.325 nan 8.290 nan 0.000 0.459 412 R N -0.384 120.205 120.500 0.149 0.000 2.275 412 R HA 0.115 4.483 4.340 0.046 0.000 0.199 412 R C 0.115 176.469 176.300 0.090 0.000 0.989 412 R CA 0.159 56.384 56.100 0.208 0.000 1.016 412 R CB 0.033 30.400 30.300 0.111 0.000 0.918 412 R HN 0.132 nan 8.270 nan 0.000 0.473 413 V N 2.931 122.840 119.914 -0.009 0.000 2.408 413 V HA 0.106 4.254 4.120 0.046 0.000 0.267 413 V C -1.623 174.326 176.094 -0.242 0.000 1.047 413 V CA -1.357 60.862 62.300 -0.135 0.000 0.937 413 V CB 1.571 33.306 31.823 -0.146 0.000 0.999 413 V HN -0.047 nan 8.190 nan 0.000 0.472 414 P HA -0.104 nan 4.420 nan 0.000 0.220 414 P C 1.364 178.554 177.300 -0.184 0.000 1.148 414 P CA 1.104 63.672 63.100 -0.887 0.000 0.803 414 P CB 0.169 31.405 31.700 -0.774 0.000 0.782 415 S N -2.769 112.920 115.700 -0.018 0.000 2.710 415 S HA 0.041 4.539 4.470 0.046 0.000 0.224 415 S C 0.331 175.025 174.600 0.156 0.000 0.948 415 S CA -0.144 58.101 58.200 0.075 0.000 0.949 415 S CB -1.119 62.108 63.200 0.045 0.000 0.778 415 S HN 0.154 nan 8.310 nan 0.000 0.498 416 H N -0.099 119.022 119.070 0.085 0.000 2.573 416 H HA 0.732 5.316 4.556 0.046 0.000 0.351 416 H C 1.202 176.629 175.328 0.165 0.000 1.163 416 H CA -0.064 56.056 56.048 0.120 0.000 1.205 416 H CB 1.536 31.390 29.762 0.154 0.000 1.605 416 H HN 0.125 nan 8.280 nan 0.000 0.525 417 A N 1.793 124.697 122.820 0.141 0.000 1.940 417 A HA -0.195 4.153 4.320 0.046 0.000 0.219 417 A C 1.658 179.374 177.584 0.220 0.000 1.176 417 A CA 2.055 54.140 52.037 0.080 0.000 0.631 417 A CB -0.311 18.444 19.000 -0.407 0.000 0.814 417 A HN 0.830 nan 8.150 nan 0.000 0.446 418 D N -1.346 119.206 120.400 0.253 0.000 2.117 418 D HA -0.127 4.541 4.640 0.046 0.000 0.198 418 D C 1.695 178.126 176.300 0.218 0.000 0.982 418 D CA 1.310 55.475 54.000 0.276 0.000 0.828 418 D CB -0.321 40.614 40.800 0.224 0.000 0.967 418 D HN 0.509 nan 8.370 nan 0.000 0.464 419 F N 2.295 122.323 119.950 0.130 0.000 2.095 419 F HA -0.240 4.317 4.527 0.050 0.000 0.298 419 F C 2.491 178.342 175.800 0.085 0.000 1.104 419 F CA 1.480 59.536 58.000 0.093 0.000 1.232 419 F CB -0.035 39.019 39.000 0.090 0.000 0.987 419 F HN -0.194 nan 8.300 nan 0.000 0.475 420 Q N 0.489 120.485 119.800 0.327 0.000 2.050 420 Q HA -0.159 4.208 4.340 0.046 0.000 0.202 420 Q C 2.552 178.554 176.000 0.003 0.000 0.980 420 Q CA 1.586 57.504 55.803 0.192 0.000 0.840 420 Q CB -1.220 27.696 28.738 0.297 0.000 0.898 420 Q HN 0.547 nan 8.270 nan 0.000 0.424 421 A N 0.999 123.911 122.820 0.153 0.000 1.978 421 A HA -0.214 4.134 4.320 0.046 0.000 0.220 421 A C 1.892 179.411 177.584 -0.108 0.000 1.170 421 A CA 1.517 53.590 52.037 0.060 0.000 0.636 421 A CB -0.397 18.685 19.000 0.137 0.000 0.810 421 A HN 0.419 nan 8.150 nan 0.000 0.448 422 Q N -1.130 118.578 119.800 -0.153 0.000 2.403 422 Q HA 0.005 4.373 4.340 0.046 0.000 0.203 422 Q C 1.889 177.721 176.000 -0.280 0.000 0.932 422 Q CA 0.164 55.843 55.803 -0.205 0.000 0.945 422 Q CB 0.105 28.733 28.738 -0.183 0.000 1.045 422 Q HN 0.655 nan 8.270 nan 0.000 0.511 423 Q N 0.232 119.829 119.800 -0.338 0.000 2.224 423 Q HA -0.101 4.267 4.340 0.046 0.000 0.203 423 Q C 1.638 177.510 176.000 -0.213 0.000 0.970 423 Q CA 1.368 56.936 55.803 -0.391 0.000 0.865 423 Q CB 0.000 28.549 28.738 -0.315 0.000 0.922 423 Q HN 0.486 nan 8.270 nan 0.000 0.445 424 G N 0.138 108.840 108.800 -0.163 0.000 2.744 424 G HA2 0.043 4.031 3.960 0.046 0.000 0.211 424 G HA3 0.043 4.031 3.960 0.046 0.000 0.211 424 G C 0.581 175.428 174.900 -0.089 0.000 1.143 424 G CA -0.237 44.797 45.100 -0.109 0.000 0.788 424 G HN 0.189 nan 8.290 nan 0.000 0.534 425 L N 0.913 122.075 121.223 -0.103 0.000 2.331 425 L HA 0.343 4.711 4.340 0.046 0.000 0.278 425 L C 1.919 178.758 176.870 -0.052 0.000 1.106 425 L CA -0.573 54.225 54.840 -0.070 0.000 0.824 425 L CB 1.465 43.483 42.059 -0.069 0.000 1.142 425 L HN 0.114 nan 8.230 nan 0.000 0.443 426 A N 2.185 124.986 122.820 -0.032 0.000 1.948 426 A HA -0.185 4.163 4.320 0.046 0.000 0.220 426 A C 1.364 178.940 177.584 -0.014 0.000 1.177 426 A CA 1.637 53.663 52.037 -0.019 0.000 0.636 426 A CB -0.290 18.704 19.000 -0.009 0.000 0.815 426 A HN 0.819 nan 8.150 nan 0.000 0.449 427 D N -1.179 119.214 120.400 -0.012 0.000 2.336 427 D HA 0.071 4.739 4.640 0.046 0.000 0.228 427 D C 1.471 177.767 176.300 -0.006 0.000 1.120 427 D CA 0.349 54.348 54.000 -0.001 0.000 0.839 427 D CB 0.354 41.160 40.800 0.010 0.000 0.932 427 D HN 0.407 nan 8.370 nan 0.000 0.509 428 K N 1.658 122.040 120.400 -0.030 0.000 2.032 428 K HA -0.101 4.247 4.320 0.046 0.000 0.209 428 K C -0.969 175.626 176.600 -0.008 0.000 1.048 428 K CA 1.320 57.579 56.287 -0.048 0.000 0.927 428 K CB -1.080 31.342 32.500 -0.130 0.000 0.712 428 K HN 0.074 nan 8.250 nan 0.000 0.441 429 P HA -0.134 nan 4.420 nan 0.000 0.216 429 P C 1.285 178.606 177.300 0.034 0.000 1.150 429 P CA 0.983 64.102 63.100 0.033 0.000 0.837 429 P CB -0.035 31.683 31.700 0.030 0.000 0.786 430 L N -0.865 120.373 121.223 0.026 0.000 2.056 430 L HA -0.099 4.269 4.340 0.046 0.000 0.207 430 L C 2.161 179.052 176.870 0.034 0.000 1.078 430 L CA 1.696 56.552 54.840 0.028 0.000 0.749 430 L CB -1.187 40.886 42.059 0.023 0.000 0.901 430 L HN -0.144 nan 8.230 nan 0.000 0.433 431 I N -0.050 120.542 120.570 0.037 0.000 2.163 431 I HA -0.308 3.890 4.170 0.046 0.000 0.243 431 I C 2.007 178.160 176.117 0.060 0.000 1.085 431 I CA 1.556 62.887 61.300 0.052 0.000 1.347 431 I CB -0.560 37.471 38.000 0.053 0.000 1.044 431 I HN 0.301 nan 8.210 nan 0.000 0.408 432 D N 0.612 121.051 120.400 0.064 0.000 2.144 432 D HA -0.197 4.471 4.640 0.046 0.000 0.199 432 D C 2.076 178.415 176.300 0.066 0.000 0.984 432 D CA 1.079 55.128 54.000 0.083 0.000 0.834 432 D CB -0.186 40.681 40.800 0.113 0.000 0.955 432 D HN 0.296 nan 8.370 nan 0.000 0.465 433 K N 0.919 121.350 120.400 0.052 0.000 2.057 433 K HA -0.124 4.224 4.320 0.046 0.000 0.206 433 K C 1.737 178.354 176.600 0.029 0.000 1.050 433 K CA 1.079 57.390 56.287 0.040 0.000 0.935 433 K CB 0.120 32.639 32.500 0.033 0.000 0.715 433 K HN 0.067 nan 8.250 nan 0.000 0.439 434 E N 0.462 120.676 120.200 0.025 0.000 2.150 434 E HA -0.136 4.242 4.350 0.046 0.000 0.193 434 E C 2.035 178.626 176.600 -0.015 0.000 0.985 434 E CA 0.992 57.393 56.400 0.001 0.000 0.814 434 E CB -0.037 29.666 29.700 0.004 0.000 0.752 434 E HN 0.368 nan 8.360 nan 0.000 0.466 435 I N 0.851 121.434 120.570 0.022 0.000 2.179 435 I HA -0.195 4.003 4.170 0.046 0.000 0.242 435 I C 2.564 178.705 176.117 0.040 0.000 1.088 435 I CA 1.238 62.560 61.300 0.037 0.000 1.357 435 I CB -0.514 37.537 38.000 0.086 0.000 1.051 435 I HN 0.156 nan 8.210 nan 0.000 0.409 436 G N 0.288 109.119 108.800 0.051 0.000 2.440 436 G HA2 -0.234 3.753 3.960 0.046 0.000 0.218 436 G HA3 -0.234 3.753 3.960 0.046 0.000 0.218 436 G C 1.509 176.438 174.900 0.049 0.000 1.154 436 G CA 0.661 45.799 45.100 0.063 0.000 0.767 436 G HN 0.418 nan 8.290 nan 0.000 0.552 437 E N -0.324 119.885 120.200 0.016 0.000 2.077 437 E HA -0.094 4.283 4.350 0.046 0.000 0.193 437 E C 2.569 179.145 176.600 -0.041 0.000 0.989 437 E CA 0.945 57.342 56.400 -0.004 0.000 0.800 437 E CB -0.283 29.407 29.700 -0.018 0.000 0.746 437 E HN 0.252 nan 8.360 nan 0.000 0.452 438 V N 1.319 121.168 119.914 -0.107 0.000 2.407 438 V HA -0.207 3.941 4.120 0.046 0.000 0.248 438 V C 2.003 178.047 176.094 -0.083 0.000 1.055 438 V CA 1.395 63.557 62.300 -0.230 0.000 1.049 438 V CB -0.193 31.292 31.823 -0.563 0.000 0.662 438 V HN 0.245 nan 8.190 nan 0.000 0.455 439 L N -0.018 121.199 121.223 -0.011 0.000 2.275 439 L HA 0.015 4.383 4.340 0.046 0.000 0.215 439 L C 2.154 178.998 176.870 -0.044 0.000 1.119 439 L CA 1.266 56.068 54.840 -0.063 0.000 0.790 439 L CB -0.497 41.632 42.059 0.116 0.000 0.919 439 L HN 0.407 nan 8.230 nan 0.000 0.443 440 A N -1.557 121.307 122.820 0.073 0.000 2.430 440 A HA 0.114 4.462 4.320 0.046 0.000 0.243 440 A C 0.890 178.536 177.584 0.104 0.000 1.254 440 A CA -0.063 52.053 52.037 0.132 0.000 0.914 440 A CB -0.024 19.073 19.000 0.161 0.000 0.998 440 A HN 0.166 nan 8.150 nan 0.000 0.515 441 T N -0.709 113.830 114.554 -0.026 0.000 2.743 441 T HA 0.299 4.677 4.350 0.046 0.000 0.293 441 T C 0.449 175.014 174.700 -0.226 0.000 0.945 441 T CA -0.225 61.837 62.100 -0.063 0.000 1.030 441 T CB 0.016 68.818 68.868 -0.110 0.000 0.912 441 T HN 0.435 nan 8.240 nan 0.000 0.483 442 H N 2.699 121.748 119.070 -0.034 0.000 2.586 442 H HA 0.135 4.720 4.556 0.047 0.000 0.273 442 H C 0.217 175.518 175.328 -0.045 0.000 0.997 442 H CA -0.320 55.701 56.048 -0.045 0.000 1.177 442 H CB 0.599 30.361 29.762 -0.000 0.000 1.471 442 H HN 0.584 nan 8.280 nan 0.000 0.538 443 D N 2.044 122.466 120.400 0.036 0.000 2.346 443 D HA -0.044 4.624 4.640 0.046 0.000 0.260 443 D C 1.047 177.323 176.300 -0.040 0.000 1.252 443 D CA 0.123 54.129 54.000 0.010 0.000 0.895 443 D CB 1.014 41.818 40.800 0.007 0.000 1.097 443 D HN 0.159 nan 8.370 nan 0.000 0.489 444 E N 2.285 122.470 120.200 -0.025 0.000 2.150 444 E HA -0.094 4.283 4.350 0.046 0.000 0.193 444 E C 1.524 178.116 176.600 -0.013 0.000 0.985 444 E CA 0.900 57.278 56.400 -0.037 0.000 0.814 444 E CB 0.032 29.736 29.700 0.007 0.000 0.752 444 E HN 0.555 nan 8.360 nan 0.000 0.466 445 T N 1.299 115.852 114.554 -0.001 0.000 2.737 445 T HA -0.176 4.202 4.350 0.046 0.000 0.265 445 T C 1.916 176.613 174.700 -0.004 0.000 1.038 445 T CA 1.513 63.619 62.100 0.010 0.000 1.144 445 T CB -0.151 68.725 68.868 0.012 0.000 0.866 445 T HN 0.042 nan 8.240 nan 0.000 0.434 446 Q N 1.325 121.112 119.800 -0.023 0.000 2.124 446 Q HA -0.027 4.341 4.340 0.046 0.000 0.202 446 Q C 2.245 178.194 176.000 -0.085 0.000 0.977 446 Q CA 1.526 57.305 55.803 -0.040 0.000 0.850 446 Q CB -0.274 28.442 28.738 -0.038 0.000 0.901 446 Q HN 0.417 nan 8.270 nan 0.000 0.429 447 R N -0.498 119.926 120.500 -0.128 0.000 2.073 447 R HA -0.151 4.216 4.340 0.046 0.000 0.234 447 R C 2.200 178.412 176.300 -0.147 0.000 1.134 447 R CA 1.810 57.764 56.100 -0.242 0.000 0.952 447 R CB -0.086 29.995 30.300 -0.365 0.000 0.850 447 R HN 0.419 nan 8.270 nan 0.000 0.433 448 Q N -0.497 119.301 119.800 -0.003 0.000 2.170 448 Q HA -0.102 4.266 4.340 0.046 0.000 0.203 448 Q C 2.061 178.125 176.000 0.105 0.000 0.976 448 Q CA 1.507 57.396 55.803 0.143 0.000 0.858 448 Q CB -0.036 28.800 28.738 0.164 0.000 0.907 448 Q HN 0.427 nan 8.270 nan 0.000 0.433 449 A N 0.663 123.506 122.820 0.037 0.000 1.898 449 A HA -0.148 4.200 4.320 0.046 0.000 0.216 449 A C 2.018 179.616 177.584 0.022 0.000 1.181 449 A CA 1.036 53.094 52.037 0.033 0.000 0.620 449 A CB -0.559 18.449 19.000 0.013 0.000 0.819 449 A HN 0.277 nan 8.150 nan 0.000 0.442 450 L N -2.302 118.896 121.223 -0.042 0.000 2.027 450 L HA -0.176 4.192 4.340 0.046 0.000 0.206 450 L C 2.583 179.426 176.870 -0.045 0.000 1.074 450 L CA 1.445 56.236 54.840 -0.083 0.000 0.745 450 L CB -0.672 41.268 42.059 -0.198 0.000 0.898 450 L HN 0.488 nan 8.230 nan 0.000 0.433 451 Y N -0.184 120.118 120.300 0.003 0.000 2.165 451 Y HA -0.315 4.261 4.550 0.043 0.000 0.286 451 Y C 2.945 178.890 175.900 0.076 0.000 1.155 451 Y CA 1.373 59.496 58.100 0.039 0.000 1.164 451 Y CB -0.174 38.298 38.460 0.019 0.000 0.978 451 Y HN 0.102 nan 8.280 nan 0.000 0.513 452 R N 0.600 121.234 120.500 0.223 0.000 2.081 452 R HA -0.223 4.145 4.340 0.046 0.000 0.235 452 R C 1.750 178.130 176.300 0.134 0.000 1.131 452 R CA 2.222 58.417 56.100 0.158 0.000 0.960 452 R CB -0.454 29.915 30.300 0.114 0.000 0.856 452 R HN 0.330 nan 8.270 nan 0.000 0.436 453 D N -0.142 120.321 120.400 0.106 0.000 2.117 453 D HA -0.113 4.555 4.640 0.046 0.000 0.198 453 D C 1.902 178.269 176.300 0.112 0.000 0.982 453 D CA 1.372 55.426 54.000 0.090 0.000 0.828 453 D CB 0.060 40.895 40.800 0.058 0.000 0.967 453 D HN 0.330 nan 8.370 nan 0.000 0.464 454 I N -0.035 120.615 120.570 0.133 0.000 2.202 454 I HA -0.209 3.989 4.170 0.046 0.000 0.242 454 I C 2.274 178.512 176.117 0.200 0.000 1.091 454 I CA 0.703 62.098 61.300 0.159 0.000 1.368 454 I CB -0.181 37.931 38.000 0.186 0.000 1.058 454 I HN 0.102 nan 8.210 nan 0.000 0.410 455 L N -0.117 121.247 121.223 0.234 0.000 2.141 455 L HA -0.160 4.207 4.340 0.046 0.000 0.209 455 L C 2.570 179.567 176.870 0.211 0.000 1.094 455 L CA 1.298 56.288 54.840 0.249 0.000 0.763 455 L CB -0.878 41.340 42.059 0.265 0.000 0.908 455 L HN 0.277 nan 8.230 nan 0.000 0.437 456 T N -0.761 113.895 114.554 0.170 0.000 2.777 456 T HA -0.138 4.240 4.350 0.046 0.000 0.266 456 T C 2.055 176.857 174.700 0.170 0.000 1.040 456 T CA 1.064 63.259 62.100 0.158 0.000 1.141 456 T CB -0.109 68.828 68.868 0.115 0.000 0.868 456 T HN 0.270 nan 8.240 nan 0.000 0.444 457 R N 0.498 121.081 120.500 0.139 0.000 2.081 457 R HA 0.072 4.440 4.340 0.046 0.000 0.235 457 R C 2.466 178.840 176.300 0.123 0.000 1.131 457 R CA 1.013 57.179 56.100 0.111 0.000 0.960 457 R CB -0.523 29.830 30.300 0.089 0.000 0.856 457 R HN 0.345 nan 8.270 nan 0.000 0.436 458 L N -0.818 120.506 121.223 0.168 0.000 2.083 458 L HA -0.200 4.168 4.340 0.046 0.000 0.209 458 L C 2.455 179.440 176.870 0.192 0.000 1.083 458 L CA 1.331 56.285 54.840 0.188 0.000 0.752 458 L CB -0.452 41.785 42.059 0.297 0.000 0.899 458 L HN 0.272 nan 8.230 nan 0.000 0.433 459 H N 0.246 119.387 119.070 0.120 0.000 2.299 459 H HA -0.162 4.414 4.556 0.033 0.000 0.302 459 H C 1.859 177.218 175.328 0.051 0.000 1.078 459 H CA 1.904 58.004 56.048 0.087 0.000 1.323 459 H CB 0.094 29.904 29.762 0.080 0.000 1.381 459 H HN 0.182 nan 8.280 nan 0.000 0.498 460 D N 0.337 120.800 120.400 0.105 0.000 2.178 460 D HA -0.115 4.552 4.640 0.046 0.000 0.201 460 D C 1.617 177.907 176.300 -0.017 0.000 0.980 460 D CA 0.881 54.898 54.000 0.028 0.000 0.842 460 D CB -0.088 40.758 40.800 0.078 0.000 0.948 460 D HN 0.495 nan 8.370 nan 0.000 0.472 461 E N -0.026 120.171 120.200 -0.005 0.000 2.502 461 E HA 0.135 4.512 4.350 0.046 0.000 0.194 461 E C 0.747 177.305 176.600 -0.069 0.000 1.062 461 E CA 0.378 56.761 56.400 -0.028 0.000 0.867 461 E CB 0.074 29.762 29.700 -0.020 0.000 0.888 461 E HN 0.171 nan 8.360 nan 0.000 0.510 462 A N 0.494 123.253 122.820 -0.101 0.000 2.745 462 A HA -0.218 4.130 4.320 0.046 0.000 0.296 462 A C 1.590 179.091 177.584 -0.138 0.000 1.500 462 A CA 0.717 52.673 52.037 -0.135 0.000 0.766 462 A CB -2.281 16.643 19.000 -0.127 0.000 1.030 462 A HN 0.153 nan 8.150 nan 0.000 0.489 463 V N -1.971 117.839 119.914 -0.173 0.000 2.427 463 V HA -0.120 4.028 4.120 0.046 0.000 0.248 463 V C 1.308 177.084 176.094 -0.530 0.000 1.051 463 V CA 2.105 64.181 62.300 -0.373 0.000 1.048 463 V CB -0.600 30.891 31.823 -0.554 0.000 0.666 463 V HN 0.660 nan 8.190 nan 0.000 0.456 464 Y N -1.604 118.684 120.300 -0.021 0.000 2.534 464 Y HA 0.645 5.220 4.550 0.043 0.000 0.329 464 Y C -0.110 175.746 175.900 -0.074 0.000 1.154 464 Y CA -1.138 56.944 58.100 -0.029 0.000 1.192 464 Y CB 1.478 39.921 38.460 -0.028 0.000 1.275 464 Y HN -0.140 nan 8.280 nan 0.000 0.491 465 L N 4.363 125.637 121.223 0.085 0.000 2.384 465 L HA 0.499 4.867 4.340 0.046 0.000 0.261 465 L C -2.824 174.029 176.870 -0.028 0.000 1.024 465 L CA -2.016 52.813 54.840 -0.017 0.000 0.899 465 L CB 1.249 43.269 42.059 -0.065 0.000 1.243 465 L HN 0.358 nan 8.230 nan 0.000 0.449 466 P HA 0.203 nan 4.420 nan 0.000 0.271 466 P C 0.232 177.441 177.300 -0.150 0.000 1.216 466 P CA 0.170 63.199 63.100 -0.117 0.000 0.776 466 P CB 1.396 33.015 31.700 -0.134 0.000 0.881 467 I N -0.133 120.333 120.570 -0.173 0.000 3.345 467 I HA 0.113 4.311 4.170 0.046 0.000 0.258 467 I C 0.845 176.824 176.117 -0.230 0.000 1.134 467 I CA 0.667 61.876 61.300 -0.150 0.000 1.457 467 I CB 0.253 38.215 38.000 -0.064 0.000 1.425 467 I HN 0.291 nan 8.210 nan 0.000 0.461 468 S N -1.111 114.427 115.700 -0.270 0.000 2.556 468 S HA 0.519 5.017 4.470 0.046 0.000 0.271 468 S C -1.804 172.603 174.600 -0.322 0.000 1.135 468 S CA -0.411 57.613 58.200 -0.293 0.000 0.858 468 S CB 1.012 64.130 63.200 -0.136 0.000 1.114 468 S HN 0.058 nan 8.310 nan 0.000 0.468 469 Y N 3.285 123.547 120.300 -0.063 0.000 2.385 469 Y HA 0.482 5.059 4.550 0.044 0.000 0.341 469 Y C 0.448 176.304 175.900 -0.073 0.000 0.965 469 Y CA -1.255 56.804 58.100 -0.068 0.000 1.180 469 Y CB 0.264 38.691 38.460 -0.055 0.000 1.139 469 Y HN 0.615 nan 8.280 nan 0.000 0.502 470 I N -0.754 119.854 120.570 0.063 0.000 2.664 470 I HA 0.807 5.004 4.170 0.046 0.000 0.308 470 I C 0.068 176.156 176.117 -0.049 0.000 0.984 470 I CA -0.483 60.804 61.300 -0.022 0.000 1.213 470 I CB 1.690 39.658 38.000 -0.052 0.000 1.379 470 I HN 0.257 nan 8.210 nan 0.000 0.501 471 S N 3.461 119.096 115.700 -0.108 0.000 2.648 471 S HA 0.643 5.141 4.470 0.046 0.000 0.305 471 S C -0.283 174.185 174.600 -0.221 0.000 1.094 471 S CA -0.831 57.271 58.200 -0.163 0.000 0.983 471 S CB 1.297 64.390 63.200 -0.179 0.000 1.101 471 S HN 0.537 nan 8.310 nan 0.000 0.514 472 M N 2.277 121.701 119.600 -0.294 0.000 2.250 472 M HA 0.433 4.941 4.480 0.046 0.000 0.344 472 M C -0.422 175.628 176.300 -0.417 0.000 1.150 472 M CA 0.570 55.655 55.300 -0.359 0.000 1.147 472 M CB 0.237 32.585 32.600 -0.420 0.000 1.498 472 M HN 0.570 nan 8.290 nan 0.000 0.461 473 M N 1.977 121.334 119.600 -0.406 0.000 2.591 473 M HA 0.771 5.279 4.480 0.046 0.000 0.306 473 M C -1.000 175.146 176.300 -0.256 0.000 1.190 473 M CA -1.051 54.021 55.300 -0.380 0.000 0.889 473 M CB 2.442 34.658 32.600 -0.641 0.000 1.728 473 M HN 0.280 nan 8.290 nan 0.000 0.458 474 V N 1.754 121.645 119.914 -0.037 0.000 2.760 474 V HA 0.654 4.802 4.120 0.046 0.000 0.309 474 V C -0.924 175.225 176.094 0.092 0.000 1.077 474 V CA -0.755 61.554 62.300 0.014 0.000 0.910 474 V CB 2.562 34.428 31.823 0.072 0.000 1.008 474 V HN 0.704 nan 8.190 nan 0.000 0.424 475 V N 3.338 123.239 119.914 -0.023 0.000 2.588 475 V HA 0.862 5.009 4.120 0.046 0.000 0.304 475 V C -0.234 175.675 176.094 -0.310 0.000 1.042 475 V CA -0.293 61.861 62.300 -0.244 0.000 0.877 475 V CB 2.079 33.638 31.823 -0.439 0.000 0.996 475 V HN 1.075 nan 8.190 nan 0.000 0.425 476 S N 3.249 118.843 115.700 -0.176 0.000 2.556 476 S HA 0.634 5.131 4.470 0.046 0.000 0.271 476 S C -1.033 173.782 174.600 0.358 0.000 1.135 476 S CA -1.211 57.073 58.200 0.139 0.000 0.858 476 S CB 1.757 65.082 63.200 0.208 0.000 1.114 476 S HN 0.545 nan 8.310 nan 0.000 0.468 477 K N 1.378 122.020 120.400 0.403 0.000 2.436 477 K HA 0.187 4.535 4.320 0.046 0.000 0.275 477 K C -1.841 174.868 176.600 0.181 0.000 0.999 477 K CA -1.593 54.854 56.287 0.266 0.000 0.980 477 K CB 0.198 32.774 32.500 0.126 0.000 0.919 477 K HN 0.355 nan 8.250 nan 0.000 0.484 478 P HA -0.244 nan 4.420 nan 0.000 0.218 478 P C 0.807 178.110 177.300 0.005 0.000 1.148 478 P CA 1.253 64.394 63.100 0.068 0.000 0.822 478 P CB 0.107 31.851 31.700 0.072 0.000 0.784 479 E N 0.030 120.245 120.200 0.025 0.000 2.267 479 E HA -0.159 4.219 4.350 0.046 0.000 0.197 479 E C 1.598 178.200 176.600 0.003 0.000 0.998 479 E CA 0.889 57.294 56.400 0.007 0.000 0.830 479 E CB -1.116 28.590 29.700 0.011 0.000 0.751 479 E HN 0.280 nan 8.360 nan 0.000 0.491 480 L N 0.694 121.927 121.223 0.017 0.000 2.376 480 L HA 0.065 4.433 4.340 0.046 0.000 0.219 480 L C 1.411 178.270 176.870 -0.018 0.000 1.133 480 L CA 0.562 55.413 54.840 0.018 0.000 0.816 480 L CB -0.854 41.238 42.059 0.055 0.000 0.933 480 L HN 0.439 nan 8.230 nan 0.000 0.449 481 G N 0.573 109.328 108.800 -0.075 0.000 2.642 481 G HA2 -0.339 3.649 3.960 0.046 0.000 0.231 481 G HA3 -0.339 3.649 3.960 0.046 0.000 0.231 481 G C -0.275 174.512 174.900 -0.188 0.000 1.338 481 G CA -0.118 44.901 45.100 -0.135 0.000 0.883 481 G HN 0.379 nan 8.290 nan 0.000 0.570 482 N N 0.127 118.743 118.700 -0.140 0.000 2.483 482 N HA 0.364 5.132 4.740 0.046 0.000 0.264 482 N C 0.361 175.849 175.510 -0.036 0.000 1.197 482 N CA -0.264 52.746 53.050 -0.066 0.000 0.927 482 N CB 0.184 38.653 38.487 -0.030 0.000 1.065 482 N HN 0.537 nan 8.380 nan 0.000 0.461 483 I N 5.085 125.648 120.570 -0.013 0.000 2.321 483 I HA 0.334 4.532 4.170 0.046 0.000 0.291 483 I C -1.991 173.936 176.117 -0.318 0.000 0.998 483 I CA -2.396 58.856 61.300 -0.080 0.000 1.227 483 I CB 0.715 38.736 38.000 0.035 0.000 1.368 483 I HN 0.493 nan 8.210 nan 0.000 0.466 484 P HA 0.234 nan 4.420 nan 0.000 0.274 484 P C -1.390 175.685 177.300 -0.374 0.000 1.246 484 P CA -0.013 62.896 63.100 -0.317 0.000 0.795 484 P CB 0.366 32.001 31.700 -0.107 0.000 1.006 485 Y N -0.539 119.838 120.300 0.127 0.000 2.341 485 Y HA 0.573 5.151 4.550 0.047 0.000 0.338 485 Y C 0.740 176.708 175.900 0.114 0.000 0.965 485 Y CA -1.397 56.803 58.100 0.167 0.000 1.108 485 Y CB 1.173 39.699 38.460 0.110 0.000 1.180 485 Y HN 0.339 nan 8.280 nan 0.000 0.458 486 A N 4.339 127.313 122.820 0.256 0.000 2.425 486 A HA 0.242 4.590 4.320 0.046 0.000 0.242 486 A C -1.596 176.101 177.584 0.188 0.000 1.077 486 A CA -1.060 51.077 52.037 0.165 0.000 0.781 486 A CB 0.044 19.118 19.000 0.123 0.000 1.020 486 A HN 0.677 nan 8.150 nan 0.000 0.494 487 P HA -0.029 nan 4.420 nan 0.000 0.218 487 P C 0.005 177.504 177.300 0.332 0.000 1.149 487 P CA 0.981 64.210 63.100 0.215 0.000 0.817 487 P CB 0.034 31.812 31.700 0.131 0.000 0.785 488 I N -0.456 120.282 120.570 0.281 0.000 2.325 488 I HA 0.159 4.357 4.170 0.046 0.000 0.291 488 I C 1.452 177.695 176.117 0.210 0.000 1.019 488 I CA -0.600 60.833 61.300 0.221 0.000 1.302 488 I CB 1.554 39.659 38.000 0.174 0.000 1.401 488 I HN -0.097 nan 8.210 nan 0.000 0.485 489 A N 4.259 127.206 122.820 0.212 0.000 2.024 489 A HA -0.168 4.180 4.320 0.046 0.000 0.220 489 A C 2.116 179.817 177.584 0.196 0.000 1.164 489 A CA 2.106 54.255 52.037 0.187 0.000 0.643 489 A CB -0.424 18.674 19.000 0.164 0.000 0.806 489 A HN 0.732 nan 8.150 nan 0.000 0.451 490 T N -0.497 114.181 114.554 0.206 0.000 3.129 490 T HA 0.114 4.492 4.350 0.046 0.000 0.251 490 T C 0.485 175.301 174.700 0.193 0.000 1.117 490 T CA 0.071 62.288 62.100 0.194 0.000 1.034 490 T CB -0.244 68.718 68.868 0.156 0.000 0.968 490 T HN 0.626 nan 8.240 nan 0.000 0.526 491 E N 0.514 120.818 120.200 0.173 0.000 2.283 491 E HA 0.500 4.878 4.350 0.046 0.000 0.267 491 E C -0.758 175.856 176.600 0.022 0.000 1.045 491 E CA -0.569 55.905 56.400 0.124 0.000 0.884 491 E CB 1.636 31.405 29.700 0.116 0.000 1.106 491 E HN 0.317 nan 8.360 nan 0.000 0.408 492 I N 2.766 123.246 120.570 -0.150 0.000 2.418 492 I HA 0.218 4.415 4.170 0.046 0.000 0.287 492 I C -2.151 173.633 176.117 -0.555 0.000 1.008 492 I CA -2.066 58.849 61.300 -0.641 0.000 1.104 492 I CB 2.040 39.367 38.000 -1.121 0.000 1.264 492 I HN 0.242 nan 8.210 nan 0.000 0.438 493 P HA 0.186 nan 4.420 nan 0.000 0.214 493 P C 0.548 177.756 177.300 -0.153 0.000 1.826 493 P CA -0.226 62.768 63.100 -0.177 0.000 0.977 493 P CB -0.241 31.413 31.700 -0.075 0.000 1.930 494 F N 1.724 121.643 119.950 -0.051 0.000 2.250 494 F HA -0.183 4.372 4.527 0.047 0.000 0.301 494 F C 2.437 178.391 175.800 0.257 0.000 1.077 494 F CA 1.176 59.156 58.000 -0.034 0.000 1.348 494 F CB -0.427 38.377 39.000 -0.327 0.000 1.040 494 F HN 0.191 nan 8.300 nan 0.000 0.509 495 E N 0.404 120.940 120.200 0.561 0.000 2.409 495 E HA -0.193 4.185 4.350 0.046 0.000 0.198 495 E C 1.197 177.910 176.600 0.188 0.000 1.024 495 E CA 0.995 57.631 56.400 0.392 0.000 0.861 495 E CB -0.370 29.455 29.700 0.208 0.000 0.788 495 E HN 0.436 nan 8.360 nan 0.000 0.521 496 Q N 0.337 120.221 119.800 0.140 0.000 2.319 496 Q HA 0.299 4.667 4.340 0.046 0.000 0.209 496 Q C 0.677 176.710 176.000 0.055 0.000 0.884 496 Q CA -0.131 55.714 55.803 0.070 0.000 0.938 496 Q CB 0.722 29.480 28.738 0.034 0.000 1.098 496 Q HN 0.361 nan 8.270 nan 0.000 0.517 497 I N 1.578 122.199 120.570 0.085 0.000 2.496 497 I HA 0.038 4.236 4.170 0.046 0.000 0.285 497 I C 0.358 176.518 176.117 0.070 0.000 1.080 497 I CA 0.452 61.791 61.300 0.065 0.000 1.404 497 I CB 0.470 38.520 38.000 0.084 0.000 1.403 497 I HN -0.300 nan 8.210 nan 0.000 0.539 498 K N 6.584 127.008 120.400 0.040 0.000 2.814 498 K HA 0.358 4.706 4.320 0.046 0.000 0.205 498 K C -2.285 174.326 176.600 0.020 0.000 1.093 498 K CA -1.334 54.973 56.287 0.034 0.000 1.035 498 K CB 1.073 33.587 32.500 0.023 0.000 1.220 498 K HN 0.311 nan 8.250 nan 0.000 0.576 499 P HA 0.000 nan 4.420 nan 0.000 0.216 499 P CA 0.000 63.107 63.100 0.011 0.000 0.800 499 P CB 0.000 31.710 31.700 0.017 0.000 0.726