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 2clh_1_B DATA FIRST_RESID 2 DATA SEQUENCE TTLLNPYFGE FGGMYVPQIL MPALNQLEEA FVRAQKDPEF QAQFADLLKN DATA SEQUENCE YAGRPTALTK CQNITAGTRT TLYLKREDLL HGGAHKTNQV LGQALLAKRM DATA SEQUENCE GKSEIIAETG AGQHGVASAL ASALLGLKCR IYMGAKDVER QSPNVFRMRL DATA SEQUENCE MGAEVIPVHS GSATLKDACN EALRDWSGSY ETAHYMLGTA AGPHPYPTIV DATA SEQUENCE REFQRMIGEE TKAQILDKEG RLPDAVIACV GGGSNAIGMF ADFINDTSVG DATA SEQUENCE LIGVEPGGHG IETGEHGAPL KHGRVGIYFG MKAPMMQTAD GQIEESYSIS DATA SEQUENCE AGLDFPSVGP QHAYLNSIGR ADYVSITDDE ALEAFKTLCR HEGIIPALES DATA SEQUENCE SHALAHALKM MREQPEKEQL LVVNLSGRGD KDIFTVHDIL KARGE 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.688 174.700 -0.019 0.000 1.109 2 T CA 0.000 62.084 62.100 -0.027 0.000 1.349 2 T CB 0.000 68.850 68.868 -0.031 0.000 0.612 3 T N -0.942 113.599 114.554 -0.021 0.000 2.907 3 T HA 0.713 5.062 4.350 -0.000 0.000 0.290 3 T C 1.054 175.754 174.700 0.000 0.000 1.066 3 T CA -0.995 61.107 62.100 0.002 0.000 1.012 3 T CB 1.401 70.275 68.868 0.010 0.000 1.184 3 T HN 0.599 nan 8.240 nan 0.000 0.522 4 L N -0.326 120.916 121.223 0.031 0.000 2.131 4 L HA 0.312 4.652 4.340 -0.000 0.000 0.206 4 L C 0.456 177.336 176.870 0.017 0.000 1.087 4 L CA 0.735 55.586 54.840 0.019 0.000 0.767 4 L CB -0.302 41.773 42.059 0.026 0.000 0.917 4 L HN 0.418 nan 8.230 nan 0.000 0.441 5 L N -1.098 120.156 121.223 0.050 0.000 2.303 5 L HA 0.346 4.686 4.340 -0.000 0.000 0.266 5 L C -0.129 176.631 176.870 -0.183 0.000 1.011 5 L CA -0.923 53.919 54.840 0.002 0.000 0.818 5 L CB 1.133 43.276 42.059 0.140 0.000 1.326 5 L HN -0.085 nan 8.230 nan 0.000 0.435 6 N N 1.590 120.147 118.700 -0.239 0.000 2.452 6 N HA 0.116 4.856 4.740 -0.000 0.000 0.266 6 N C -2.021 173.104 175.510 -0.642 0.000 1.175 6 N CA -1.315 51.530 53.050 -0.343 0.000 0.945 6 N CB 1.382 39.697 38.487 -0.288 0.000 1.063 6 N HN 0.284 nan 8.380 nan 0.000 0.472 7 P HA 0.078 nan 4.420 nan 0.000 0.241 7 P C -0.750 176.172 177.300 -0.630 0.000 1.191 7 P CA 0.805 63.358 63.100 -0.910 0.000 0.771 7 P CB 0.097 31.429 31.700 -0.613 0.000 0.929 8 Y N -1.324 118.702 120.300 -0.457 0.000 2.487 8 Y HA 0.499 5.049 4.550 -0.000 0.000 0.337 8 Y C 0.002 175.540 175.900 -0.603 0.000 1.076 8 Y CA -0.896 57.002 58.100 -0.337 0.000 1.115 8 Y CB 1.209 39.556 38.460 -0.188 0.000 1.235 8 Y HN -0.302 nan 8.280 nan 0.000 0.468 9 F N 2.028 121.996 119.950 0.031 0.000 2.451 9 F HA 0.517 5.044 4.527 -0.000 0.000 0.367 9 F C 0.808 176.468 175.800 -0.233 0.000 1.100 9 F CA -0.345 57.478 58.000 -0.295 0.000 1.171 9 F CB 0.817 39.764 39.000 -0.089 0.000 1.405 9 F HN 0.776 nan 8.300 nan 0.000 0.482 10 G N 2.706 111.362 108.800 -0.239 0.000 2.536 10 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.280 10 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.280 10 G C 1.145 176.056 174.900 0.019 0.000 1.152 10 G CA 0.475 45.615 45.100 0.068 0.000 0.970 10 G HN 0.648 nan 8.290 nan 0.000 0.549 11 E N 0.184 120.298 120.200 -0.143 0.000 2.442 11 E HA 0.289 4.639 4.350 -0.000 0.000 0.195 11 E C 0.368 176.882 176.600 -0.144 0.000 1.030 11 E CA 0.128 56.340 56.400 -0.313 0.000 0.869 11 E CB 0.034 29.410 29.700 -0.541 0.000 0.857 11 E HN 0.375 nan 8.360 nan 0.000 0.505 12 F N 1.035 121.226 119.950 0.403 0.000 2.379 12 F HA 0.585 5.112 4.527 -0.000 0.000 0.332 12 F C 1.306 177.303 175.800 0.328 0.000 1.096 12 F CA 0.382 58.603 58.000 0.368 0.000 1.105 12 F CB 1.672 40.844 39.000 0.286 0.000 1.189 12 F HN 0.147 nan 8.300 nan 0.000 0.515 13 G N 0.358 109.355 108.800 0.329 0.000 2.456 13 G HA2 0.447 4.407 3.960 -0.000 0.000 0.204 13 G HA3 0.447 4.407 3.960 -0.000 0.000 0.204 13 G C -0.101 174.601 174.900 -0.331 0.000 1.193 13 G CA -0.106 44.999 45.100 0.010 0.000 1.220 13 G HN 1.928 nan 8.290 nan 0.000 0.565 14 G N -1.337 106.935 108.800 -0.880 0.000 2.660 14 G HA2 0.347 4.307 3.960 -0.000 0.000 0.247 14 G HA3 0.347 4.307 3.960 -0.000 0.000 0.247 14 G C -0.144 174.610 174.900 -0.244 0.000 1.328 14 G CA 0.457 45.097 45.100 -0.767 0.000 0.884 14 G HN 1.633 nan 8.290 nan 0.000 0.531 15 M N 0.229 119.650 119.600 -0.298 0.000 2.389 15 M HA 0.324 4.804 4.480 -0.000 0.000 0.206 15 M C -1.133 175.043 176.300 -0.206 0.000 0.976 15 M CA -0.126 55.088 55.300 -0.143 0.000 0.648 15 M CB 1.274 33.815 32.600 -0.099 0.000 1.474 15 M HN 0.410 nan 8.290 nan 0.000 0.398 16 Y N 1.762 122.062 120.300 0.001 0.000 2.667 16 Y HA 0.386 4.936 4.550 -0.000 0.000 0.340 16 Y C 0.403 176.314 175.900 0.018 0.000 1.303 16 Y CA -0.748 57.367 58.100 0.025 0.000 1.769 16 Y CB -0.130 38.359 38.460 0.049 0.000 1.804 16 Y HN 0.328 nan 8.280 nan 0.000 0.451 17 V N -1.181 118.779 119.914 0.077 0.000 3.001 17 V HA 0.750 4.870 4.120 -0.000 0.000 0.314 17 V C -2.596 173.509 176.094 0.019 0.000 1.099 17 V CA -3.351 58.981 62.300 0.054 0.000 0.989 17 V CB 1.656 33.496 31.823 0.029 0.000 1.040 17 V HN 0.104 nan 8.190 nan 0.000 0.434 18 P HA 0.153 nan 4.420 nan 0.000 0.267 18 P C 0.473 177.741 177.300 -0.053 0.000 1.200 18 P CA 0.092 63.186 63.100 -0.010 0.000 0.772 18 P CB 0.537 32.229 31.700 -0.013 0.000 0.855 19 Q N 2.168 121.940 119.800 -0.047 0.000 2.173 19 Q HA -0.211 4.129 4.340 -0.000 0.000 0.208 19 Q C 1.595 177.529 176.000 -0.111 0.000 0.989 19 Q CA 1.641 57.404 55.803 -0.068 0.000 0.872 19 Q CB -0.977 27.734 28.738 -0.046 0.000 0.909 19 Q HN 0.470 nan 8.270 nan 0.000 0.420 20 I N -0.618 119.882 120.570 -0.115 0.000 2.423 20 I HA -0.186 3.983 4.170 -0.000 0.000 0.254 20 I C 1.411 177.317 176.117 -0.351 0.000 1.151 20 I CA 1.252 62.449 61.300 -0.171 0.000 1.421 20 I CB 0.017 37.949 38.000 -0.114 0.000 1.079 20 I HN 0.291 nan 8.210 nan 0.000 0.431 21 L N -0.753 120.272 121.223 -0.331 0.000 2.567 21 L HA 0.021 4.361 4.340 -0.000 0.000 0.225 21 L C 2.103 178.726 176.870 -0.411 0.000 1.119 21 L CA -0.124 54.421 54.840 -0.492 0.000 0.871 21 L CB -0.273 41.593 42.059 -0.322 0.000 1.036 21 L HN 0.193 nan 8.230 nan 0.000 0.459 22 M N 0.079 119.520 119.600 -0.265 0.000 2.108 22 M HA -0.115 4.365 4.480 -0.000 0.000 0.261 22 M C -0.244 175.941 176.300 -0.192 0.000 1.066 22 M CA 1.935 57.127 55.300 -0.180 0.000 1.107 22 M CB -1.986 30.541 32.600 -0.120 0.000 1.356 22 M HN 0.016 nan 8.290 nan 0.000 0.406 23 P HA -0.059 nan 4.420 nan 0.000 0.218 23 P C 1.270 178.471 177.300 -0.165 0.000 1.149 23 P CA 1.786 64.790 63.100 -0.160 0.000 0.817 23 P CB -0.150 31.479 31.700 -0.118 0.000 0.785 24 A N -0.633 121.947 122.820 -0.400 0.000 1.898 24 A HA -0.143 4.176 4.320 -0.000 0.000 0.216 24 A C 2.161 179.713 177.584 -0.054 0.000 1.181 24 A CA 1.337 53.183 52.037 -0.319 0.000 0.620 24 A CB -1.567 16.813 19.000 -1.033 0.000 0.819 24 A HN 0.107 nan 8.150 nan 0.000 0.442 25 L N -0.651 120.525 121.223 -0.079 0.000 2.056 25 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 25 L C 2.321 179.178 176.870 -0.021 0.000 1.078 25 L CA 1.642 56.495 54.840 0.022 0.000 0.749 25 L CB -0.741 41.326 42.059 0.014 0.000 0.901 25 L HN 0.492 nan 8.230 nan 0.000 0.433 26 N N -0.515 118.167 118.700 -0.030 0.000 2.120 26 N HA -0.257 4.483 4.740 -0.000 0.000 0.188 26 N C 1.900 177.409 175.510 -0.001 0.000 1.024 26 N CA 0.970 54.011 53.050 -0.015 0.000 0.852 26 N CB -0.056 38.419 38.487 -0.020 0.000 1.003 26 N HN 0.370 nan 8.380 nan 0.000 0.424 27 Q N 0.898 120.710 119.800 0.020 0.000 2.050 27 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 27 Q C 2.162 178.187 176.000 0.042 0.000 0.980 27 Q CA 1.136 56.966 55.803 0.045 0.000 0.840 27 Q CB -0.074 28.719 28.738 0.091 0.000 0.898 27 Q HN 0.298 nan 8.270 nan 0.000 0.424 28 L N 1.346 122.604 121.223 0.058 0.000 2.046 28 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 28 L C 2.269 179.108 176.870 -0.051 0.000 1.077 28 L CA 2.276 57.126 54.840 0.016 0.000 0.747 28 L CB -0.643 41.429 42.059 0.023 0.000 0.896 28 L HN 0.367 nan 8.230 nan 0.000 0.432 29 E N -0.637 119.515 120.200 -0.080 0.000 2.077 29 E HA -0.307 4.043 4.350 -0.000 0.000 0.193 29 E C 2.110 178.723 176.600 0.022 0.000 0.989 29 E CA 1.472 57.834 56.400 -0.063 0.000 0.800 29 E CB -0.153 29.505 29.700 -0.071 0.000 0.746 29 E HN 0.710 nan 8.360 nan 0.000 0.452 30 E N -0.153 120.047 120.200 0.001 0.000 2.077 30 E HA -0.187 4.162 4.350 -0.000 0.000 0.193 30 E C 1.919 178.498 176.600 -0.035 0.000 0.989 30 E CA 1.001 57.393 56.400 -0.012 0.000 0.800 30 E CB -0.136 29.559 29.700 -0.010 0.000 0.746 30 E HN 0.323 nan 8.360 nan 0.000 0.452 31 A N 0.538 123.344 122.820 -0.025 0.000 1.930 31 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 31 A C 1.961 179.482 177.584 -0.104 0.000 1.175 31 A CA 1.201 53.203 52.037 -0.058 0.000 0.627 31 A CB -0.792 18.188 19.000 -0.033 0.000 0.815 31 A HN 0.515 nan 8.150 nan 0.000 0.443 32 F N 0.849 120.674 119.950 -0.209 0.000 2.084 32 F HA -0.133 4.394 4.527 -0.000 0.000 0.296 32 F C 2.215 177.880 175.800 -0.226 0.000 1.111 32 F CA 1.914 59.760 58.000 -0.257 0.000 1.224 32 F CB -0.590 38.240 39.000 -0.283 0.000 0.991 32 F HN 0.013 nan 8.300 nan 0.000 0.471 33 V N 2.700 122.417 119.914 -0.328 0.000 2.332 33 V HA -0.351 3.769 4.120 -0.000 0.000 0.248 33 V C 2.676 178.570 176.094 -0.332 0.000 1.055 33 V CA 2.481 64.557 62.300 -0.374 0.000 1.038 33 V CB -1.050 30.690 31.823 -0.139 0.000 0.651 33 V HN 0.470 nan 8.190 nan 0.000 0.450 34 R N 1.369 121.721 120.500 -0.245 0.000 2.075 34 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 34 R C 2.285 178.422 176.300 -0.273 0.000 1.126 34 R CA 1.623 57.602 56.100 -0.201 0.000 0.963 34 R CB -0.883 29.336 30.300 -0.136 0.000 0.858 34 R HN 0.366 nan 8.270 nan 0.000 0.435 35 A N 1.550 124.113 122.820 -0.427 0.000 1.940 35 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 35 A C 2.138 179.420 177.584 -0.504 0.000 1.176 35 A CA 1.318 52.941 52.037 -0.691 0.000 0.631 35 A CB -0.390 17.799 19.000 -1.350 0.000 0.814 35 A HN 0.359 nan 8.150 nan 0.000 0.446 36 Q N -0.476 119.021 119.800 -0.504 0.000 2.291 36 Q HA -0.079 4.261 4.340 -0.000 0.000 0.206 36 Q C 1.050 176.958 176.000 -0.154 0.000 0.976 36 Q CA 0.991 56.599 55.803 -0.324 0.000 0.875 36 Q CB -0.098 28.326 28.738 -0.524 0.000 0.927 36 Q HN 0.490 nan 8.270 nan 0.000 0.450 37 K N 0.564 120.870 120.400 -0.157 0.000 2.358 37 K HA 0.070 4.390 4.320 -0.000 0.000 0.197 37 K C -0.120 176.458 176.600 -0.037 0.000 1.025 37 K CA -0.009 56.230 56.287 -0.081 0.000 1.104 37 K CB 0.491 32.939 32.500 -0.087 0.000 0.855 37 K HN 0.031 nan 8.250 nan 0.000 0.531 38 D N 1.570 121.955 120.400 -0.025 0.000 2.396 38 D HA 0.149 4.789 4.640 -0.000 0.000 0.225 38 D C -1.957 174.404 176.300 0.101 0.000 1.121 38 D CA -2.351 51.670 54.000 0.035 0.000 0.853 38 D CB 1.810 42.636 40.800 0.043 0.000 1.043 38 D HN -0.170 nan 8.370 nan 0.000 0.500 39 P HA -0.135 nan 4.420 nan 0.000 0.218 39 P C 1.072 178.424 177.300 0.087 0.000 1.148 39 P CA 0.872 64.016 63.100 0.073 0.000 0.822 39 P CB 0.360 32.085 31.700 0.042 0.000 0.784 40 E N -1.353 118.900 120.200 0.088 0.000 2.072 40 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 40 E C 1.795 178.456 176.600 0.103 0.000 0.985 40 E CA 0.724 57.170 56.400 0.076 0.000 0.801 40 E CB -0.545 29.194 29.700 0.064 0.000 0.750 40 E HN 0.131 nan 8.360 nan 0.000 0.452 41 F N 1.590 121.548 119.950 0.013 0.000 2.113 41 F HA -0.193 4.334 4.527 -0.000 0.000 0.297 41 F C 2.357 178.197 175.800 0.067 0.000 1.103 41 F CA 1.451 59.462 58.000 0.017 0.000 1.248 41 F CB -0.085 38.915 39.000 -0.000 0.000 0.999 41 F HN 0.016 nan 8.300 nan 0.000 0.475 42 Q N 0.645 120.633 119.800 0.312 0.000 2.135 42 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 42 Q C 2.496 178.550 176.000 0.089 0.000 0.981 42 Q CA 1.535 57.485 55.803 0.246 0.000 0.856 42 Q CB -1.204 27.662 28.738 0.212 0.000 0.902 42 Q HN 0.560 nan 8.270 nan 0.000 0.425 43 A N 1.013 123.860 122.820 0.046 0.000 1.898 43 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 43 A C 2.119 179.681 177.584 -0.036 0.000 1.181 43 A CA 1.432 53.470 52.037 0.002 0.000 0.620 43 A CB -0.443 18.561 19.000 0.005 0.000 0.819 43 A HN 0.401 nan 8.150 nan 0.000 0.442 44 Q N -1.818 117.937 119.800 -0.074 0.000 2.079 44 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 44 Q C 1.980 177.919 176.000 -0.101 0.000 0.974 44 Q CA 1.424 57.157 55.803 -0.116 0.000 0.840 44 Q CB -0.314 28.312 28.738 -0.186 0.000 0.898 44 Q HN 0.681 nan 8.270 nan 0.000 0.430 45 F N 1.448 121.169 119.950 -0.381 0.000 2.102 45 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 45 F C 2.158 177.846 175.800 -0.186 0.000 1.105 45 F CA 1.206 58.986 58.000 -0.366 0.000 1.239 45 F CB -0.747 37.973 39.000 -0.467 0.000 0.991 45 F HN -0.005 nan 8.300 nan 0.000 0.474 46 A N -0.260 122.469 122.820 -0.152 0.000 1.933 46 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 46 A C 1.995 179.499 177.584 -0.133 0.000 1.175 46 A CA 1.914 53.827 52.037 -0.207 0.000 0.628 46 A CB -1.192 17.739 19.000 -0.114 0.000 0.814 46 A HN 0.464 nan 8.150 nan 0.000 0.444 47 D N -0.002 120.349 120.400 -0.082 0.000 2.097 47 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 47 D C 1.830 178.107 176.300 -0.038 0.000 0.989 47 D CA 1.447 55.414 54.000 -0.054 0.000 0.827 47 D CB -0.249 40.522 40.800 -0.048 0.000 0.966 47 D HN 0.422 nan 8.370 nan 0.000 0.456 48 L N -0.194 121.009 121.223 -0.034 0.000 2.027 48 L HA -0.122 4.218 4.340 -0.000 0.000 0.206 48 L C 2.720 179.622 176.870 0.053 0.000 1.074 48 L CA 0.635 55.487 54.840 0.020 0.000 0.745 48 L CB -0.455 41.611 42.059 0.013 0.000 0.898 48 L HN 0.158 nan 8.230 nan 0.000 0.433 49 L N -0.111 121.075 121.223 -0.062 0.000 2.042 49 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 49 L C 2.722 179.559 176.870 -0.054 0.000 1.076 49 L CA 1.509 56.290 54.840 -0.097 0.000 0.749 49 L CB -0.482 41.398 42.059 -0.299 0.000 0.893 49 L HN 0.283 nan 8.230 nan 0.000 0.432 50 K N 0.046 120.408 120.400 -0.062 0.000 2.005 50 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 50 K C 1.751 178.338 176.600 -0.022 0.000 1.044 50 K CA 1.295 57.556 56.287 -0.044 0.000 0.942 50 K CB 0.085 32.556 32.500 -0.049 0.000 0.727 50 K HN 0.258 nan 8.250 nan 0.000 0.439 51 N N -0.630 118.069 118.700 -0.002 0.000 2.422 51 N HA -0.087 4.652 4.740 -0.000 0.000 0.181 51 N C 1.060 176.595 175.510 0.042 0.000 1.080 51 N CA 0.666 53.721 53.050 0.009 0.000 0.893 51 N CB 0.293 38.785 38.487 0.008 0.000 0.973 51 N HN 0.300 nan 8.380 nan 0.000 0.456 52 Y N 0.597 120.846 120.300 -0.085 0.000 2.576 52 Y HA 0.402 4.952 4.550 -0.000 0.000 0.282 52 Y C 2.129 177.950 175.900 -0.132 0.000 1.139 52 Y CA 0.538 58.564 58.100 -0.123 0.000 1.265 52 Y CB -0.290 38.111 38.460 -0.098 0.000 1.376 52 Y HN -0.066 nan 8.280 nan 0.000 0.511 53 A N -0.259 122.533 122.820 -0.047 0.000 2.021 53 A HA 0.335 4.655 4.320 -0.000 0.000 0.216 53 A C 1.782 179.336 177.584 -0.050 0.000 1.163 53 A CA 1.212 53.218 52.037 -0.051 0.000 0.676 53 A CB -1.099 17.951 19.000 0.083 0.000 0.818 53 A HN 1.090 nan 8.150 nan 0.000 0.453 54 G N -1.093 107.676 108.800 -0.052 0.000 2.134 54 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.209 54 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.209 54 G C 0.138 175.024 174.900 -0.023 0.000 0.993 54 G CA -0.011 45.064 45.100 -0.041 0.000 0.669 54 G HN 0.541 nan 8.290 nan 0.000 0.519 55 R N 0.868 121.352 120.500 -0.027 0.000 2.582 55 R HA 0.420 4.760 4.340 -0.000 0.000 0.271 55 R C -1.984 174.298 176.300 -0.031 0.000 1.078 55 R CA -1.047 55.035 56.100 -0.029 0.000 1.127 55 R CB 0.692 30.961 30.300 -0.052 0.000 1.038 55 R HN 0.240 nan 8.270 nan 0.000 0.500 56 P HA 0.050 nan 4.420 nan 0.000 0.276 56 P C -0.491 176.808 177.300 -0.000 0.000 1.244 56 P CA -0.338 62.754 63.100 -0.013 0.000 0.801 56 P CB 0.891 32.584 31.700 -0.011 0.000 1.006 57 T N -1.533 113.027 114.554 0.011 0.000 2.922 57 T HA 0.598 4.948 4.350 -0.000 0.000 0.285 57 T C 0.502 175.218 174.700 0.027 0.000 1.005 57 T CA -0.776 61.336 62.100 0.021 0.000 1.061 57 T CB 0.706 69.594 68.868 0.033 0.000 1.007 57 T HN 0.542 nan 8.240 nan 0.000 0.502 58 A N 1.525 124.364 122.820 0.031 0.000 2.386 58 A HA 0.547 4.867 4.320 -0.000 0.000 0.246 58 A C -0.150 177.469 177.584 0.060 0.000 1.089 58 A CA -0.622 51.440 52.037 0.041 0.000 0.790 58 A CB -0.149 18.874 19.000 0.039 0.000 1.042 58 A HN 0.943 nan 8.150 nan 0.000 0.497 59 L N 1.204 122.475 121.223 0.079 0.000 2.388 59 L HA 0.436 4.776 4.340 -0.000 0.000 0.267 59 L C -0.250 176.749 176.870 0.216 0.000 0.995 59 L CA 0.238 55.151 54.840 0.123 0.000 0.864 59 L CB 1.335 43.428 42.059 0.056 0.000 1.216 59 L HN 0.607 nan 8.230 nan 0.000 0.430 60 T N 3.986 118.654 114.554 0.189 0.000 2.771 60 T HA 0.241 4.591 4.350 -0.000 0.000 0.291 60 T C -0.111 174.633 174.700 0.073 0.000 0.954 60 T CA -0.316 61.863 62.100 0.132 0.000 1.045 60 T CB 0.734 69.634 68.868 0.053 0.000 0.917 60 T HN 0.461 nan 8.240 nan 0.000 0.484 61 K N 2.375 122.721 120.400 -0.090 0.000 2.297 61 K HA 0.275 4.595 4.320 -0.000 0.000 0.286 61 K C -0.854 175.578 176.600 -0.279 0.000 1.053 61 K CA -0.576 55.382 56.287 -0.549 0.000 0.940 61 K CB 0.268 32.402 32.500 -0.609 0.000 1.019 61 K HN 0.602 nan 8.250 nan 0.000 0.475 62 C N 6.098 125.238 119.300 -0.268 0.000 2.125 62 C HA 0.140 4.600 4.460 -0.000 0.000 0.355 62 C C 1.454 176.357 174.990 -0.144 0.000 1.047 62 C CA -0.673 58.257 59.018 -0.148 0.000 1.501 62 C CB -0.563 27.117 27.740 -0.099 0.000 1.783 62 C HN 0.965 nan 8.230 nan 0.000 0.455 63 Q N 1.580 121.305 119.800 -0.125 0.000 2.083 63 Q HA -0.160 4.180 4.340 -0.000 0.000 0.198 63 Q C 1.310 177.263 176.000 -0.078 0.000 0.969 63 Q CA 1.594 57.336 55.803 -0.103 0.000 0.838 63 Q CB -0.137 28.552 28.738 -0.082 0.000 0.900 63 Q HN 0.767 nan 8.270 nan 0.000 0.436 64 N N 1.246 119.913 118.700 -0.056 0.000 2.058 64 N HA -0.086 4.653 4.740 -0.000 0.000 0.191 64 N C 1.949 177.392 175.510 -0.112 0.000 1.037 64 N CA 1.181 54.203 53.050 -0.046 0.000 0.848 64 N CB -0.136 38.366 38.487 0.025 0.000 1.021 64 N HN 0.158 nan 8.380 nan 0.000 0.422 65 I N 1.072 121.577 120.570 -0.108 0.000 2.423 65 I HA -0.208 3.962 4.170 -0.000 0.000 0.254 65 I C 1.598 177.625 176.117 -0.151 0.000 1.151 65 I CA 1.144 62.346 61.300 -0.164 0.000 1.421 65 I CB -0.095 37.852 38.000 -0.089 0.000 1.079 65 I HN 0.330 nan 8.210 nan 0.000 0.431 66 T N -1.744 112.739 114.554 -0.117 0.000 3.069 66 T HA 0.412 4.762 4.350 -0.000 0.000 0.252 66 T C 0.783 175.429 174.700 -0.090 0.000 1.053 66 T CA 0.065 62.105 62.100 -0.099 0.000 0.964 66 T CB -0.223 68.592 68.868 -0.090 0.000 1.005 66 T HN 0.243 nan 8.240 nan 0.000 0.532 67 A N 0.784 123.546 122.820 -0.097 0.000 2.567 67 A HA 0.493 4.813 4.320 -0.000 0.000 0.240 67 A C 1.726 179.268 177.584 -0.070 0.000 1.053 67 A CA 0.416 52.406 52.037 -0.077 0.000 0.755 67 A CB -1.104 17.850 19.000 -0.077 0.000 0.978 67 A HN 1.549 nan 8.150 nan 0.000 0.507 68 G N 1.321 110.089 108.800 -0.053 0.000 2.176 68 G HA2 -0.091 3.868 3.960 -0.000 0.000 0.253 68 G HA3 -0.091 3.868 3.960 -0.000 0.000 0.253 68 G C 0.500 175.374 174.900 -0.043 0.000 0.979 68 G CA 1.151 46.224 45.100 -0.045 0.000 0.641 68 G HN 2.430 nan 8.290 nan 0.000 0.530 69 T N -3.617 110.908 114.554 -0.047 0.000 2.864 69 T HA 0.723 5.073 4.350 -0.000 0.000 0.289 69 T C 0.575 175.251 174.700 -0.039 0.000 1.082 69 T CA -0.591 61.483 62.100 -0.044 0.000 1.009 69 T CB 1.677 70.514 68.868 -0.051 0.000 1.234 69 T HN 0.118 nan 8.240 nan 0.000 0.526 70 R N 0.036 120.515 120.500 -0.034 0.000 2.515 70 R HA 0.270 4.609 4.340 -0.000 0.000 0.294 70 R C -0.151 176.132 176.300 -0.027 0.000 1.021 70 R CA -0.252 55.832 56.100 -0.027 0.000 1.081 70 R CB 0.261 30.548 30.300 -0.022 0.000 1.263 70 R HN 0.552 nan 8.270 nan 0.000 0.557 71 T N 0.829 115.361 114.554 -0.036 0.000 2.837 71 T HA 0.220 4.570 4.350 -0.000 0.000 0.285 71 T C 0.033 174.708 174.700 -0.041 0.000 0.984 71 T CA 0.128 62.206 62.100 -0.035 0.000 1.049 71 T CB 1.906 70.747 68.868 -0.045 0.000 0.947 71 T HN -0.099 nan 8.240 nan 0.000 0.472 72 T N 4.024 118.563 114.554 -0.025 0.000 2.791 72 T HA 0.521 4.871 4.350 -0.000 0.000 0.288 72 T C -0.882 173.800 174.700 -0.031 0.000 0.999 72 T CA -0.536 61.538 62.100 -0.044 0.000 0.952 72 T CB 0.700 69.574 68.868 0.010 0.000 0.938 72 T HN 0.291 nan 8.240 nan 0.000 0.444 73 L N 4.659 125.815 121.223 -0.111 0.000 2.341 73 L HA 0.661 5.001 4.340 -0.000 0.000 0.278 73 L C -1.718 175.055 176.870 -0.161 0.000 1.005 73 L CA -0.637 54.163 54.840 -0.067 0.000 0.818 73 L CB 0.824 42.847 42.059 -0.059 0.000 1.259 73 L HN 0.572 nan 8.230 nan 0.000 0.418 74 Y N 4.622 124.918 120.300 -0.007 0.000 2.468 74 Y HA 0.654 5.204 4.550 -0.000 0.000 0.342 74 Y C -0.629 175.275 175.900 0.007 0.000 1.021 74 Y CA -0.627 57.474 58.100 0.002 0.000 1.079 74 Y CB 2.031 40.496 38.460 0.008 0.000 1.226 74 Y HN 0.387 nan 8.280 nan 0.000 0.460 75 L N 3.515 124.841 121.223 0.172 0.000 2.325 75 L HA 0.441 4.781 4.340 -0.000 0.000 0.281 75 L C -0.606 176.331 176.870 0.111 0.000 1.004 75 L CA -1.205 53.698 54.840 0.106 0.000 0.823 75 L CB 1.540 43.633 42.059 0.055 0.000 1.236 75 L HN 0.389 nan 8.230 nan 0.000 0.415 76 K N 3.753 124.210 120.400 0.095 0.000 2.349 76 K HA 0.138 4.458 4.320 -0.000 0.000 0.289 76 K C 0.066 176.705 176.600 0.066 0.000 1.064 76 K CA -0.105 56.232 56.287 0.083 0.000 0.947 76 K CB 0.424 32.974 32.500 0.083 0.000 1.007 76 K HN 0.268 nan 8.250 nan 0.000 0.478 77 R N 4.382 124.918 120.500 0.061 0.000 4.556 77 R HA 0.028 4.368 4.340 -0.000 0.000 0.197 77 R C -0.120 176.210 176.300 0.049 0.000 1.791 77 R CA -0.049 56.080 56.100 0.048 0.000 1.526 77 R CB -0.070 30.255 30.300 0.041 0.000 1.410 77 R HN 0.641 nan 8.270 nan 0.000 0.826 78 E N 0.976 121.212 120.200 0.060 0.000 2.418 78 E HA -0.129 4.220 4.350 -0.000 0.000 0.197 78 E C 1.053 177.693 176.600 0.068 0.000 1.026 78 E CA 0.619 57.066 56.400 0.077 0.000 0.862 78 E CB 0.196 29.964 29.700 0.115 0.000 0.799 78 E HN 0.521 nan 8.360 nan 0.000 0.518 79 D N 0.222 120.653 120.400 0.052 0.000 2.310 79 D HA -0.162 4.478 4.640 -0.000 0.000 0.212 79 D C 1.648 177.963 176.300 0.024 0.000 0.965 79 D CA 0.470 54.493 54.000 0.039 0.000 0.879 79 D CB -0.245 40.571 40.800 0.026 0.000 0.921 79 D HN 0.258 nan 8.370 nan 0.000 0.510 80 L N -0.186 121.052 121.223 0.025 0.000 2.592 80 L HA 0.171 4.511 4.340 -0.000 0.000 0.227 80 L C 0.858 177.739 176.870 0.019 0.000 1.127 80 L CA -0.488 54.362 54.840 0.017 0.000 0.884 80 L CB -0.025 42.044 42.059 0.015 0.000 1.065 80 L HN 0.014 nan 8.230 nan 0.000 0.457 81 L N -0.000 121.239 121.223 0.026 0.000 2.439 81 L HA 0.098 4.438 4.340 -0.000 0.000 0.269 81 L C 0.557 177.443 176.870 0.026 0.000 1.179 81 L CA -0.041 54.818 54.840 0.031 0.000 0.828 81 L CB 0.292 42.377 42.059 0.043 0.000 1.106 81 L HN 0.048 nan 8.230 nan 0.000 0.467 82 H N 3.253 122.271 119.070 -0.087 0.000 3.094 82 H HA 0.364 4.919 4.556 -0.000 0.000 0.320 82 H C 1.035 176.313 175.328 -0.082 0.000 1.000 82 H CA 0.879 56.845 56.048 -0.136 0.000 1.413 82 H CB 0.347 29.936 29.762 -0.288 0.000 1.405 82 H HN 0.773 nan 8.280 nan 0.000 0.586 83 G N 2.461 110.953 108.800 -0.514 0.000 2.254 83 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.225 83 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.225 83 G C 1.236 176.039 174.900 -0.163 0.000 1.003 83 G CA 0.577 45.444 45.100 -0.388 0.000 0.622 83 G HN 1.824 nan 8.290 nan 0.000 0.507 84 G N -0.818 107.925 108.800 -0.095 0.000 2.157 84 G HA2 0.360 4.320 3.960 -0.000 0.000 0.248 84 G HA3 0.360 4.320 3.960 -0.000 0.000 0.248 84 G C 0.593 175.496 174.900 0.004 0.000 0.979 84 G CA 1.171 46.253 45.100 -0.031 0.000 0.650 84 G HN 2.557 nan 8.290 nan 0.000 0.529 85 A N -1.022 121.796 122.820 -0.003 0.000 2.612 85 A HA 0.721 5.040 4.320 -0.000 0.000 0.293 85 A C 0.822 178.419 177.584 0.021 0.000 1.075 85 A CA 0.563 52.628 52.037 0.046 0.000 0.680 85 A CB 0.166 19.181 19.000 0.025 0.000 1.279 85 A HN 1.158 nan 8.150 nan 0.000 0.411 86 H N 0.650 119.738 119.070 0.029 0.000 2.489 86 H HA -0.071 4.485 4.556 -0.000 0.000 0.293 86 H C 0.983 176.349 175.328 0.063 0.000 1.066 86 H CA 1.744 57.818 56.048 0.043 0.000 1.305 86 H CB -0.193 29.591 29.762 0.038 0.000 1.386 86 H HN 0.720 nan 8.280 nan 0.000 0.551 87 K N 0.361 120.319 120.400 -0.736 0.000 2.173 87 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 87 K C 2.120 178.669 176.600 -0.086 0.000 1.046 87 K CA 1.892 57.932 56.287 -0.412 0.000 0.929 87 K CB -0.103 32.245 32.500 -0.254 0.000 0.720 87 K HN 0.324 nan 8.250 nan 0.000 0.453 88 T N 1.493 116.019 114.554 -0.047 0.000 2.759 88 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 88 T C 1.490 176.260 174.700 0.116 0.000 1.042 88 T CA 1.275 63.402 62.100 0.045 0.000 1.140 88 T CB -0.255 68.641 68.868 0.046 0.000 0.864 88 T HN 0.260 nan 8.240 nan 0.000 0.455 89 N N 1.833 120.605 118.700 0.120 0.000 2.018 89 N HA -0.173 4.566 4.740 -0.000 0.000 0.196 89 N C 2.102 177.790 175.510 0.296 0.000 1.043 89 N CA 1.928 55.093 53.050 0.191 0.000 0.856 89 N CB -0.552 38.046 38.487 0.185 0.000 1.042 89 N HN 0.662 nan 8.380 nan 0.000 0.423 90 Q N 1.020 120.980 119.800 0.266 0.000 2.230 90 Q HA -0.012 4.328 4.340 -0.000 0.000 0.202 90 Q C 1.892 178.025 176.000 0.222 0.000 0.963 90 Q CA 1.181 57.176 55.803 0.321 0.000 0.866 90 Q CB -0.498 28.429 28.738 0.316 0.000 0.931 90 Q HN 0.312 nan 8.270 nan 0.000 0.452 91 V N -1.519 118.494 119.914 0.165 0.000 2.515 91 V HA -0.111 4.008 4.120 -0.000 0.000 0.250 91 V C 2.104 178.237 176.094 0.065 0.000 1.058 91 V CA 1.232 63.607 62.300 0.125 0.000 1.064 91 V CB -0.740 31.128 31.823 0.075 0.000 0.675 91 V HN 0.364 nan 8.190 nan 0.000 0.461 92 L N 1.239 122.509 121.223 0.078 0.000 2.056 92 L HA 0.070 4.410 4.340 -0.000 0.000 0.207 92 L C 2.855 179.589 176.870 -0.226 0.000 1.078 92 L CA 1.695 56.553 54.840 0.030 0.000 0.749 92 L CB -1.152 41.024 42.059 0.195 0.000 0.901 92 L HN 0.480 nan 8.230 nan 0.000 0.433 93 G N -1.146 107.325 108.800 -0.549 0.000 2.402 93 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 93 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 93 G C 1.499 176.089 174.900 -0.517 0.000 1.162 93 G CA 0.215 44.393 45.100 -1.536 0.000 0.777 93 G HN 0.331 nan 8.290 nan 0.000 0.539 94 Q N 0.077 119.869 119.800 -0.013 0.000 2.124 94 Q HA -0.035 4.304 4.340 -0.000 0.000 0.202 94 Q C 3.028 179.063 176.000 0.058 0.000 0.977 94 Q CA 1.135 57.057 55.803 0.198 0.000 0.850 94 Q CB -0.237 28.686 28.738 0.307 0.000 0.901 94 Q HN 0.484 nan 8.270 nan 0.000 0.429 95 A N 0.860 123.690 122.820 0.016 0.000 1.933 95 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 95 A C 2.045 179.610 177.584 -0.032 0.000 1.175 95 A CA 1.011 53.051 52.037 0.005 0.000 0.628 95 A CB -0.594 18.393 19.000 -0.020 0.000 0.814 95 A HN 0.283 nan 8.150 nan 0.000 0.444 96 L N -0.751 120.418 121.223 -0.090 0.000 2.093 96 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 96 L C 2.543 179.505 176.870 0.153 0.000 1.085 96 L CA 0.794 55.596 54.840 -0.063 0.000 0.755 96 L CB -0.453 41.385 42.059 -0.369 0.000 0.904 96 L HN 0.383 nan 8.230 nan 0.000 0.435 97 L N -0.452 120.875 121.223 0.173 0.000 2.046 97 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 97 L C 2.896 179.737 176.870 -0.049 0.000 1.077 97 L CA 1.187 56.088 54.840 0.102 0.000 0.747 97 L CB -0.664 41.420 42.059 0.043 0.000 0.896 97 L HN 0.254 nan 8.230 nan 0.000 0.432 98 A N 0.302 123.038 122.820 -0.141 0.000 1.908 98 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 98 A C 2.274 179.865 177.584 0.013 0.000 1.181 98 A CA 1.890 53.869 52.037 -0.097 0.000 0.627 98 A CB -0.363 18.643 19.000 0.010 0.000 0.818 98 A HN 0.352 nan 8.150 nan 0.000 0.445 99 K N -0.995 119.418 120.400 0.023 0.000 2.155 99 K HA -0.073 4.247 4.320 -0.000 0.000 0.203 99 K C 2.290 178.917 176.600 0.044 0.000 1.052 99 K CA 1.130 57.436 56.287 0.032 0.000 0.948 99 K CB -0.123 32.386 32.500 0.015 0.000 0.728 99 K HN 0.461 nan 8.250 nan 0.000 0.448 100 R N 0.935 121.474 120.500 0.065 0.000 2.115 100 R HA -0.006 4.334 4.340 -0.000 0.000 0.230 100 R C 1.788 178.109 176.300 0.036 0.000 1.111 100 R CA 1.164 57.305 56.100 0.068 0.000 0.976 100 R CB 0.042 30.396 30.300 0.090 0.000 0.870 100 R HN 0.156 nan 8.270 nan 0.000 0.445 101 M N -0.727 118.891 119.600 0.031 0.000 2.618 101 M HA 0.143 4.623 4.480 -0.000 0.000 0.240 101 M C 0.860 177.189 176.300 0.047 0.000 1.123 101 M CA 0.841 56.164 55.300 0.039 0.000 1.060 101 M CB 0.905 33.537 32.600 0.054 0.000 1.535 101 M HN 0.477 nan 8.290 nan 0.000 0.507 102 G N 1.173 109.999 108.800 0.043 0.000 2.136 102 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.242 102 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.242 102 G C -0.086 174.845 174.900 0.052 0.000 0.989 102 G CA -0.141 44.983 45.100 0.040 0.000 0.682 102 G HN 0.316 nan 8.290 nan 0.000 0.522 103 K N 0.578 121.022 120.400 0.073 0.000 2.185 103 K HA 0.567 4.887 4.320 -0.000 0.000 0.271 103 K C 1.285 177.934 176.600 0.081 0.000 1.013 103 K CA 0.296 56.643 56.287 0.101 0.000 0.943 103 K CB 1.499 34.099 32.500 0.168 0.000 0.998 103 K HN 0.528 nan 8.250 nan 0.000 0.468 104 S N -0.038 115.709 115.700 0.078 0.000 2.666 104 S HA 0.168 4.638 4.470 -0.000 0.000 0.239 104 S C 0.042 174.681 174.600 0.064 0.000 1.031 104 S CA -0.413 57.821 58.200 0.057 0.000 1.015 104 S CB 0.413 63.636 63.200 0.040 0.000 0.981 104 S HN 0.576 nan 8.310 nan 0.000 0.547 105 E N 0.760 121.016 120.200 0.094 0.000 2.277 105 E HA 0.594 4.944 4.350 -0.000 0.000 0.266 105 E C -1.354 175.320 176.600 0.124 0.000 0.901 105 E CA -0.886 55.570 56.400 0.094 0.000 0.782 105 E CB 1.653 31.412 29.700 0.098 0.000 1.228 105 E HN 0.141 nan 8.360 nan 0.000 0.424 106 I N 2.824 123.447 120.570 0.088 0.000 2.498 106 I HA 0.421 4.591 4.170 -0.000 0.000 0.290 106 I C -0.533 175.615 176.117 0.052 0.000 1.032 106 I CA -0.529 60.819 61.300 0.080 0.000 1.073 106 I CB 1.485 39.518 38.000 0.055 0.000 1.251 106 I HN 0.497 nan 8.210 nan 0.000 0.426 107 I N 4.786 125.389 120.570 0.056 0.000 2.433 107 I HA 0.736 4.906 4.170 -0.000 0.000 0.292 107 I C -0.027 176.190 176.117 0.167 0.000 1.001 107 I CA -0.443 60.924 61.300 0.112 0.000 1.119 107 I CB 2.103 40.195 38.000 0.154 0.000 1.289 107 I HN 0.674 nan 8.210 nan 0.000 0.438 108 A N 5.463 128.388 122.820 0.174 0.000 2.539 108 A HA 0.753 5.073 4.320 -0.000 0.000 0.296 108 A C -1.139 176.615 177.584 0.283 0.000 1.073 108 A CA -0.598 51.565 52.037 0.209 0.000 0.700 108 A CB 1.913 20.925 19.000 0.020 0.000 1.296 108 A HN 0.648 nan 8.150 nan 0.000 0.405 109 E N 0.551 120.954 120.200 0.338 0.000 2.221 109 E HA 0.780 5.130 4.350 -0.000 0.000 0.268 109 E C -1.133 175.604 176.600 0.228 0.000 0.933 109 E CA -0.584 55.979 56.400 0.271 0.000 0.809 109 E CB 2.011 31.856 29.700 0.242 0.000 1.190 109 E HN 0.592 nan 8.360 nan 0.000 0.406 110 T N 0.494 115.138 114.554 0.149 0.000 3.012 110 T HA 0.559 4.909 4.350 -0.000 0.000 0.330 110 T C -0.072 174.673 174.700 0.074 0.000 1.321 110 T CA 0.056 62.227 62.100 0.119 0.000 1.067 110 T CB 1.212 70.137 68.868 0.094 0.000 1.235 110 T HN 0.532 nan 8.240 nan 0.000 0.479 111 G N 1.472 110.310 108.800 0.062 0.000 2.687 111 G HA2 0.444 4.404 3.960 -0.000 0.000 0.222 111 G HA3 0.444 4.404 3.960 -0.000 0.000 0.222 111 G C 1.659 176.582 174.900 0.038 0.000 1.445 111 G CA 0.653 45.779 45.100 0.045 0.000 0.836 111 G HN 0.949 nan 8.290 nan 0.000 0.598 112 A N -0.502 122.341 122.820 0.038 0.000 2.067 112 A HA 0.381 4.700 4.320 -0.000 0.000 0.219 112 A C 2.113 179.720 177.584 0.038 0.000 1.158 112 A CA 1.951 54.010 52.037 0.036 0.000 0.661 112 A CB -0.594 18.427 19.000 0.035 0.000 0.801 112 A HN 1.899 nan 8.150 nan 0.000 0.452 113 G N -1.830 106.994 108.800 0.041 0.000 2.218 113 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.216 113 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.216 113 G C 0.996 175.909 174.900 0.021 0.000 0.994 113 G CA 0.990 46.109 45.100 0.032 0.000 0.637 113 G HN 0.532 nan 8.290 nan 0.000 0.505 114 Q N 0.490 120.309 119.800 0.031 0.000 2.084 114 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 114 Q C 1.996 178.003 176.000 0.012 0.000 0.978 114 Q CA 2.727 58.539 55.803 0.015 0.000 0.844 114 Q CB -0.552 28.198 28.738 0.022 0.000 0.898 114 Q HN 0.782 nan 8.270 nan 0.000 0.426 115 H N -1.049 117.992 119.070 -0.048 0.000 2.389 115 H HA 0.048 4.604 4.556 -0.000 0.000 0.299 115 H C 1.664 176.965 175.328 -0.044 0.000 1.081 115 H CA 1.870 57.882 56.048 -0.061 0.000 1.345 115 H CB -0.485 29.238 29.762 -0.064 0.000 1.393 115 H HN 0.364 nan 8.280 nan 0.000 0.520 116 G N -0.238 108.495 108.800 -0.112 0.000 2.418 116 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 116 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 116 G C 1.826 176.635 174.900 -0.151 0.000 1.158 116 G CA 1.085 46.097 45.100 -0.147 0.000 0.771 116 G HN 0.379 nan 8.290 nan 0.000 0.545 117 V N 1.469 121.320 119.914 -0.105 0.000 2.358 117 V HA -0.098 4.021 4.120 -0.000 0.000 0.246 117 V C 3.316 179.342 176.094 -0.114 0.000 1.047 117 V CA 1.972 64.216 62.300 -0.093 0.000 1.035 117 V CB -0.785 30.997 31.823 -0.068 0.000 0.658 117 V HN 0.469 nan 8.190 nan 0.000 0.452 118 A N -0.397 122.340 122.820 -0.137 0.000 1.902 118 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 118 A C 2.484 179.983 177.584 -0.141 0.000 1.181 118 A CA 2.255 54.220 52.037 -0.121 0.000 0.623 118 A CB -0.675 18.268 19.000 -0.096 0.000 0.818 118 A HN 0.507 nan 8.150 nan 0.000 0.443 119 S N -0.151 115.379 115.700 -0.283 0.000 2.368 119 S HA -0.013 4.457 4.470 -0.000 0.000 0.224 119 S C 2.301 176.827 174.600 -0.123 0.000 1.029 119 S CA 1.129 59.180 58.200 -0.247 0.000 0.988 119 S CB -0.438 62.532 63.200 -0.384 0.000 0.838 119 S HN 0.791 nan 8.310 nan 0.000 0.462 120 A N 1.978 124.729 122.820 -0.115 0.000 1.902 120 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 120 A C 2.189 179.754 177.584 -0.032 0.000 1.181 120 A CA 1.649 53.643 52.037 -0.071 0.000 0.623 120 A CB -0.773 18.182 19.000 -0.075 0.000 0.818 120 A HN 0.528 nan 8.150 nan 0.000 0.443 121 L N -1.737 119.481 121.223 -0.008 0.000 2.093 121 L HA 0.148 4.488 4.340 -0.000 0.000 0.208 121 L C 2.406 179.328 176.870 0.086 0.000 1.085 121 L CA 2.083 56.967 54.840 0.074 0.000 0.755 121 L CB -1.310 40.827 42.059 0.129 0.000 0.904 121 L HN 0.176 nan 8.230 nan 0.000 0.435 122 A N -0.037 122.812 122.820 0.048 0.000 1.898 122 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 122 A C 2.428 179.993 177.584 -0.032 0.000 1.181 122 A CA 1.905 53.949 52.037 0.011 0.000 0.620 122 A CB -0.980 18.029 19.000 0.015 0.000 0.819 122 A HN 0.547 nan 8.150 nan 0.000 0.442 123 S N -0.110 115.576 115.700 -0.024 0.000 2.383 123 S HA 0.027 4.497 4.470 -0.000 0.000 0.227 123 S C 2.270 176.852 174.600 -0.031 0.000 1.026 123 S CA 1.022 59.207 58.200 -0.025 0.000 0.981 123 S CB -0.384 62.803 63.200 -0.022 0.000 0.818 123 S HN 0.775 nan 8.310 nan 0.000 0.472 124 A N 1.496 124.301 122.820 -0.025 0.000 1.873 124 A HA -0.020 4.300 4.320 -0.000 0.000 0.215 124 A C 2.122 179.679 177.584 -0.045 0.000 1.186 124 A CA 1.314 53.337 52.037 -0.023 0.000 0.616 124 A CB -0.737 18.261 19.000 -0.003 0.000 0.823 124 A HN 0.417 nan 8.150 nan 0.000 0.442 125 L N -0.386 120.791 121.223 -0.076 0.000 2.017 125 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 125 L C 1.774 178.553 176.870 -0.153 0.000 1.073 125 L CA 1.775 56.514 54.840 -0.169 0.000 0.745 125 L CB -0.322 41.499 42.059 -0.397 0.000 0.894 125 L HN 0.365 nan 8.230 nan 0.000 0.432 126 L N -0.247 120.901 121.223 -0.125 0.000 2.629 126 L HA 0.310 4.650 4.340 -0.000 0.000 0.230 126 L C 1.164 178.000 176.870 -0.057 0.000 1.151 126 L CA 0.321 55.103 54.840 -0.097 0.000 0.924 126 L CB -0.773 41.230 42.059 -0.094 0.000 1.137 126 L HN 0.502 nan 8.230 nan 0.000 0.457 127 G N 1.202 109.974 108.800 -0.048 0.000 2.295 127 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.287 127 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.287 127 G C -0.147 174.745 174.900 -0.014 0.000 1.055 127 G CA 0.028 45.111 45.100 -0.028 0.000 0.922 127 G HN 0.272 nan 8.290 nan 0.000 0.503 128 L N -0.693 120.524 121.223 -0.011 0.000 2.325 128 L HA 0.501 4.841 4.340 -0.000 0.000 0.278 128 L C 0.677 177.550 176.870 0.005 0.000 1.023 128 L CA -1.041 53.803 54.840 0.007 0.000 0.811 128 L CB 1.559 43.628 42.059 0.018 0.000 1.249 128 L HN 0.026 nan 8.230 nan 0.000 0.431 129 K N 1.852 122.260 120.400 0.014 0.000 2.316 129 K HA 0.259 4.578 4.320 -0.000 0.000 0.289 129 K C -0.803 175.801 176.600 0.007 0.000 1.070 129 K CA -0.298 55.994 56.287 0.007 0.000 0.928 129 K CB 1.060 33.569 32.500 0.015 0.000 1.039 129 K HN 0.464 nan 8.250 nan 0.000 0.480 130 C N 4.902 124.194 119.300 -0.013 0.000 2.322 130 C HA 0.469 4.929 4.460 -0.000 0.000 0.324 130 C C -0.407 174.550 174.990 -0.055 0.000 1.284 130 C CA -0.752 58.250 59.018 -0.027 0.000 1.606 130 C CB -0.285 27.431 27.740 -0.039 0.000 2.251 130 C HN 0.960 nan 8.230 nan 0.000 0.502 131 R N 5.717 126.174 120.500 -0.072 0.000 2.480 131 R HA 0.826 5.166 4.340 -0.000 0.000 0.306 131 R C -1.528 174.642 176.300 -0.216 0.000 0.958 131 R CA -0.661 55.346 56.100 -0.155 0.000 0.861 131 R CB 0.909 31.105 30.300 -0.173 0.000 1.171 131 R HN 0.661 nan 8.270 nan 0.000 0.445 132 I N 3.078 123.493 120.570 -0.258 0.000 2.474 132 I HA 0.334 4.504 4.170 -0.000 0.000 0.294 132 I C -0.898 175.039 176.117 -0.300 0.000 1.005 132 I CA -1.280 59.898 61.300 -0.203 0.000 1.113 132 I CB 1.561 39.501 38.000 -0.101 0.000 1.289 132 I HN 0.544 nan 8.210 nan 0.000 0.436 133 Y N 6.091 126.409 120.300 0.030 0.000 2.330 133 Y HA 0.628 5.177 4.550 -0.000 0.000 0.336 133 Y C 0.055 175.963 175.900 0.013 0.000 1.036 133 Y CA -0.536 57.575 58.100 0.019 0.000 1.125 133 Y CB 1.707 40.179 38.460 0.020 0.000 1.194 133 Y HN 0.437 nan 8.280 nan 0.000 0.469 134 M N 2.098 121.783 119.600 0.142 0.000 2.378 134 M HA 0.609 5.089 4.480 -0.000 0.000 0.289 134 M C -0.192 176.120 176.300 0.021 0.000 1.136 134 M CA -0.680 54.660 55.300 0.068 0.000 0.917 134 M CB 1.635 34.254 32.600 0.033 0.000 1.669 134 M HN 0.796 nan 8.290 nan 0.000 0.461 135 G N 1.950 110.752 108.800 0.003 0.000 2.353 135 G HA2 0.344 4.304 3.960 -0.000 0.000 0.239 135 G HA3 0.344 4.304 3.960 -0.000 0.000 0.239 135 G C 0.775 175.622 174.900 -0.089 0.000 1.295 135 G CA 0.285 45.360 45.100 -0.042 0.000 0.884 135 G HN 1.069 nan 8.290 nan 0.000 0.537 136 A N 2.538 125.239 122.820 -0.199 0.000 1.917 136 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 136 A C 2.331 179.865 177.584 -0.083 0.000 1.182 136 A CA 1.908 53.785 52.037 -0.267 0.000 0.633 136 A CB -0.297 18.363 19.000 -0.568 0.000 0.819 136 A HN 0.699 nan 8.150 nan 0.000 0.448 137 K N -0.757 119.619 120.400 -0.040 0.000 2.148 137 K HA -0.126 4.193 4.320 -0.000 0.000 0.204 137 K C 1.249 177.851 176.600 0.002 0.000 1.050 137 K CA 1.306 57.593 56.287 -0.001 0.000 0.942 137 K CB -0.183 32.323 32.500 0.010 0.000 0.724 137 K HN 0.425 nan 8.250 nan 0.000 0.446 138 D N 0.358 120.755 120.400 -0.005 0.000 2.162 138 D HA -0.080 4.560 4.640 -0.000 0.000 0.203 138 D C 1.956 178.261 176.300 0.007 0.000 0.967 138 D CA 0.680 54.684 54.000 0.007 0.000 0.840 138 D CB -0.052 40.754 40.800 0.010 0.000 0.972 138 D HN -0.106 nan 8.370 nan 0.000 0.482 139 V N 1.187 121.098 119.914 -0.005 0.000 2.343 139 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 139 V C 2.452 178.552 176.094 0.010 0.000 1.051 139 V CA 1.782 64.084 62.300 0.002 0.000 1.036 139 V CB -0.409 31.407 31.823 -0.012 0.000 0.654 139 V HN 0.130 nan 8.190 nan 0.000 0.451 140 E N 0.933 121.138 120.200 0.009 0.000 2.077 140 E HA -0.198 4.151 4.350 -0.000 0.000 0.193 140 E C 2.212 178.817 176.600 0.009 0.000 0.989 140 E CA 1.518 57.926 56.400 0.013 0.000 0.800 140 E CB -0.221 29.491 29.700 0.020 0.000 0.746 140 E HN 0.529 nan 8.360 nan 0.000 0.452 141 R N -0.554 119.953 120.500 0.013 0.000 2.297 141 R HA 0.159 4.499 4.340 -0.000 0.000 0.197 141 R C 0.418 176.730 176.300 0.019 0.000 0.943 141 R CA 0.332 56.441 56.100 0.015 0.000 1.038 141 R CB 0.404 30.718 30.300 0.024 0.000 0.957 141 R HN 0.127 nan 8.270 nan 0.000 0.484 142 Q N -0.296 119.517 119.800 0.022 0.000 2.318 142 Q HA 0.148 4.488 4.340 -0.000 0.000 0.371 142 Q C 0.406 176.428 176.000 0.036 0.000 0.896 142 Q CA -0.024 55.798 55.803 0.032 0.000 1.134 142 Q CB 1.540 30.299 28.738 0.035 0.000 1.329 142 Q HN 0.008 nan 8.270 nan 0.000 0.413 143 S N 1.850 117.563 115.700 0.022 0.000 2.374 143 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 143 S C -0.780 173.859 174.600 0.066 0.000 1.037 143 S CA 1.474 59.689 58.200 0.025 0.000 1.024 143 S CB -0.217 62.973 63.200 -0.017 0.000 0.861 143 S HN 0.258 nan 8.310 nan 0.000 0.456 144 P HA -0.050 nan 4.420 nan 0.000 0.213 144 P C 0.949 178.327 177.300 0.130 0.000 1.170 144 P CA 1.426 64.593 63.100 0.112 0.000 0.898 144 P CB -0.222 31.538 31.700 0.099 0.000 0.787 145 N N -0.937 117.814 118.700 0.085 0.000 2.149 145 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 145 N C 1.540 177.084 175.510 0.056 0.000 1.019 145 N CA 0.664 53.749 53.050 0.058 0.000 0.857 145 N CB -0.406 38.105 38.487 0.040 0.000 0.997 145 N HN -0.088 nan 8.380 nan 0.000 0.426 146 V N 0.658 120.618 119.914 0.076 0.000 2.343 146 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 146 V C 1.811 177.979 176.094 0.124 0.000 1.051 146 V CA 1.394 63.739 62.300 0.076 0.000 1.036 146 V CB -0.603 31.265 31.823 0.074 0.000 0.654 146 V HN 0.293 nan 8.190 nan 0.000 0.451 147 F N 1.090 121.036 119.950 -0.006 0.000 2.186 147 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 147 F C 2.500 178.297 175.800 -0.004 0.000 1.090 147 F CA 1.460 59.457 58.000 -0.005 0.000 1.307 147 F CB -0.368 38.630 39.000 -0.002 0.000 1.019 147 F HN -0.026 nan 8.300 nan 0.000 0.489 148 R N -0.452 120.019 120.500 -0.049 0.000 2.073 148 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 148 R C 2.330 178.541 176.300 -0.150 0.000 1.134 148 R CA 2.016 58.031 56.100 -0.142 0.000 0.952 148 R CB -0.457 29.817 30.300 -0.044 0.000 0.850 148 R HN 0.327 nan 8.270 nan 0.000 0.433 149 M N -0.282 119.266 119.600 -0.087 0.000 2.080 149 M HA -0.216 4.264 4.480 -0.000 0.000 0.260 149 M C 2.255 178.494 176.300 -0.101 0.000 1.068 149 M CA 1.820 57.071 55.300 -0.081 0.000 1.109 149 M CB -0.243 32.324 32.600 -0.055 0.000 1.342 149 M HN 0.073 nan 8.290 nan 0.000 0.405 150 R N 0.091 120.525 120.500 -0.110 0.000 2.115 150 R HA -0.026 4.313 4.340 -0.000 0.000 0.230 150 R C 2.090 178.283 176.300 -0.179 0.000 1.111 150 R CA 1.018 57.053 56.100 -0.109 0.000 0.976 150 R CB -0.380 29.897 30.300 -0.039 0.000 0.870 150 R HN 0.364 nan 8.270 nan 0.000 0.445 151 L N 0.145 121.173 121.223 -0.325 0.000 2.131 151 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 151 L C 1.944 178.712 176.870 -0.169 0.000 1.092 151 L CA 1.150 55.793 54.840 -0.327 0.000 0.759 151 L CB -0.099 41.681 42.059 -0.465 0.000 0.903 151 L HN 0.247 nan 8.230 nan 0.000 0.435 152 M N -0.966 118.554 119.600 -0.134 0.000 2.568 152 M HA 0.162 4.642 4.480 -0.000 0.000 0.226 152 M C 1.246 177.511 176.300 -0.059 0.000 1.148 152 M CA 0.612 55.867 55.300 -0.075 0.000 1.007 152 M CB 0.276 32.844 32.600 -0.054 0.000 1.651 152 M HN 0.369 nan 8.290 nan 0.000 0.488 153 G N 0.760 109.520 108.800 -0.067 0.000 2.159 153 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.256 153 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.256 153 G C 0.176 175.048 174.900 -0.046 0.000 0.977 153 G CA 0.121 45.192 45.100 -0.049 0.000 0.652 153 G HN 0.676 nan 8.290 nan 0.000 0.531 154 A N -0.208 122.578 122.820 -0.057 0.000 2.322 154 A HA 0.673 4.992 4.320 -0.000 0.000 0.269 154 A C 0.369 177.918 177.584 -0.059 0.000 1.094 154 A CA 0.271 52.273 52.037 -0.059 0.000 0.807 154 A CB 0.575 19.533 19.000 -0.069 0.000 1.047 154 A HN 0.515 nan 8.150 nan 0.000 0.487 155 E N 1.353 121.511 120.200 -0.069 0.000 2.115 155 E HA 0.465 4.815 4.350 -0.000 0.000 0.282 155 E C -1.350 175.187 176.600 -0.106 0.000 0.987 155 E CA -0.390 55.966 56.400 -0.074 0.000 0.797 155 E CB 0.928 30.582 29.700 -0.077 0.000 1.086 155 E HN 0.382 nan 8.360 nan 0.000 0.397 156 V N 6.841 126.709 119.914 -0.075 0.000 2.370 156 V HA 0.341 4.461 4.120 -0.000 0.000 0.279 156 V C 0.063 176.113 176.094 -0.073 0.000 1.029 156 V CA -0.495 61.758 62.300 -0.079 0.000 0.870 156 V CB 1.110 32.914 31.823 -0.031 0.000 0.984 156 V HN 0.618 nan 8.190 nan 0.000 0.451 157 I N 7.262 127.762 120.570 -0.117 0.000 2.382 157 I HA 0.381 4.551 4.170 -0.000 0.000 0.285 157 I C -2.540 173.606 176.117 0.048 0.000 1.007 157 I CA -2.015 59.258 61.300 -0.046 0.000 1.142 157 I CB 2.223 40.143 38.000 -0.133 0.000 1.289 157 I HN 0.410 nan 8.210 nan 0.000 0.453 158 P HA 0.130 nan 4.420 nan 0.000 0.271 158 P C -0.753 176.516 177.300 -0.051 0.000 1.216 158 P CA -0.192 62.882 63.100 -0.043 0.000 0.776 158 P CB 0.936 32.589 31.700 -0.079 0.000 0.881 159 V N 4.490 124.328 119.914 -0.126 0.000 2.334 159 V HA 0.150 4.270 4.120 -0.000 0.000 0.281 159 V C 0.943 176.917 176.094 -0.201 0.000 1.016 159 V CA -0.211 62.045 62.300 -0.073 0.000 0.832 159 V CB 0.697 32.518 31.823 -0.003 0.000 0.999 159 V HN 0.682 nan 8.190 nan 0.000 0.439 160 H N 1.474 120.565 119.070 0.036 0.000 2.575 160 H HA 0.123 4.679 4.556 -0.000 0.000 0.267 160 H C 1.345 176.680 175.328 0.012 0.000 0.966 160 H CA 0.386 56.448 56.048 0.023 0.000 1.165 160 H CB 0.726 30.502 29.762 0.022 0.000 1.433 160 H HN 0.666 nan 8.280 nan 0.000 0.544 161 S N -0.037 115.717 115.700 0.090 0.000 2.593 161 S HA 0.405 4.874 4.470 -0.000 0.000 0.269 161 S C 1.245 175.858 174.600 0.022 0.000 1.334 161 S CA 0.050 58.280 58.200 0.049 0.000 1.015 161 S CB 1.866 65.083 63.200 0.028 0.000 0.912 161 S HN 0.579 nan 8.310 nan 0.000 0.541 162 G N 1.716 110.522 108.800 0.010 0.000 2.596 162 G HA2 -0.342 3.617 3.960 -0.000 0.000 0.295 162 G HA3 -0.342 3.617 3.960 -0.000 0.000 0.295 162 G C 0.867 175.764 174.900 -0.005 0.000 1.240 162 G CA 0.898 45.993 45.100 -0.009 0.000 0.985 162 G HN 2.062 nan 8.290 nan 0.000 0.555 163 S N 0.314 116.003 115.700 -0.017 0.000 2.603 163 S HA 0.467 4.937 4.470 -0.000 0.000 0.220 163 S C 1.710 176.308 174.600 -0.004 0.000 0.967 163 S CA 1.395 59.588 58.200 -0.012 0.000 0.920 163 S CB -0.012 63.173 63.200 -0.025 0.000 0.773 163 S HN 2.635 nan 8.310 nan 0.000 0.529 164 A N 0.552 123.368 122.820 -0.007 0.000 2.822 164 A HA -0.129 4.191 4.320 -0.000 0.000 0.287 164 A C 0.799 178.368 177.584 -0.024 0.000 1.479 164 A CA 1.050 53.075 52.037 -0.020 0.000 0.779 164 A CB -2.648 16.346 19.000 -0.011 0.000 1.022 164 A HN 1.235 nan 8.150 nan 0.000 0.532 165 T N -4.850 109.693 114.554 -0.018 0.000 2.633 165 T HA 0.661 5.011 4.350 -0.000 0.000 0.262 165 T C 1.121 175.816 174.700 -0.008 0.000 0.920 165 T CA -0.055 62.039 62.100 -0.010 0.000 1.062 165 T CB 0.154 69.017 68.868 -0.008 0.000 1.390 165 T HN 1.200 nan 8.240 nan 0.000 0.549 166 L N 1.716 122.939 121.223 -0.001 0.000 1.997 166 L HA -0.086 4.254 4.340 -0.000 0.000 0.216 166 L C 2.729 179.582 176.870 -0.028 0.000 1.074 166 L CA 2.714 57.558 54.840 0.006 0.000 0.763 166 L CB -1.193 40.889 42.059 0.038 0.000 0.890 166 L HN 0.916 nan 8.230 nan 0.000 0.434 167 K N -1.469 118.903 120.400 -0.047 0.000 2.103 167 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 167 K C 1.604 178.195 176.600 -0.014 0.000 1.048 167 K CA 1.842 58.101 56.287 -0.047 0.000 0.930 167 K CB -0.778 31.709 32.500 -0.022 0.000 0.716 167 K HN 0.440 nan 8.250 nan 0.000 0.444 168 D N 1.365 121.753 120.400 -0.019 0.000 2.144 168 D HA -0.090 4.549 4.640 -0.000 0.000 0.200 168 D C 2.076 178.359 176.300 -0.030 0.000 0.978 168 D CA 1.446 55.437 54.000 -0.016 0.000 0.833 168 D CB -0.054 40.734 40.800 -0.018 0.000 0.961 168 D HN 0.457 nan 8.370 nan 0.000 0.470 169 A N 0.782 123.590 122.820 -0.019 0.000 1.930 169 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 169 A C 2.543 180.111 177.584 -0.026 0.000 1.175 169 A CA 0.894 52.936 52.037 0.008 0.000 0.627 169 A CB -0.879 18.159 19.000 0.063 0.000 0.815 169 A HN 0.295 nan 8.150 nan 0.000 0.443 170 C N 0.052 119.308 119.300 -0.072 0.000 2.413 170 C HA -0.113 4.346 4.460 -0.000 0.000 0.276 170 C C 2.691 177.638 174.990 -0.072 0.000 1.248 170 C CA 1.189 60.120 59.018 -0.145 0.000 1.742 170 C CB -1.394 25.996 27.740 -0.583 0.000 2.017 170 C HN 0.651 nan 8.230 nan 0.000 0.481 171 N N 0.887 119.557 118.700 -0.050 0.000 2.084 171 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 171 N C 1.678 177.121 175.510 -0.112 0.000 1.030 171 N CA 1.293 54.336 53.050 -0.012 0.000 0.849 171 N CB -0.670 37.837 38.487 0.034 0.000 1.012 171 N HN 0.526 nan 8.380 nan 0.000 0.423 172 E N 1.102 121.180 120.200 -0.203 0.000 2.153 172 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 172 E C 1.759 177.982 176.600 -0.629 0.000 0.988 172 E CA 1.118 57.262 56.400 -0.426 0.000 0.811 172 E CB -0.318 29.055 29.700 -0.545 0.000 0.746 172 E HN 0.341 nan 8.360 nan 0.000 0.466 173 A N 0.251 122.797 122.820 -0.457 0.000 1.877 173 A HA -0.140 4.179 4.320 -0.000 0.000 0.216 173 A C 2.284 179.634 177.584 -0.390 0.000 1.186 173 A CA 1.440 53.255 52.037 -0.371 0.000 0.620 173 A CB -0.753 18.090 19.000 -0.262 0.000 0.822 173 A HN 0.325 nan 8.150 nan 0.000 0.443 174 L N -1.030 120.009 121.223 -0.307 0.000 2.083 174 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 174 L C 2.876 179.730 176.870 -0.026 0.000 1.083 174 L CA 1.368 56.133 54.840 -0.125 0.000 0.752 174 L CB -0.498 41.557 42.059 -0.006 0.000 0.899 174 L HN 0.372 nan 8.230 nan 0.000 0.433 175 R N -0.233 120.222 120.500 -0.075 0.000 2.073 175 R HA -0.198 4.142 4.340 -0.000 0.000 0.234 175 R C 2.049 178.349 176.300 -0.000 0.000 1.134 175 R CA 1.701 57.776 56.100 -0.042 0.000 0.952 175 R CB -0.519 29.733 30.300 -0.079 0.000 0.850 175 R HN 0.338 nan 8.270 nan 0.000 0.433 176 D N 0.110 120.497 120.400 -0.023 0.000 2.084 176 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 176 D C 1.649 178.076 176.300 0.212 0.000 0.990 176 D CA 0.997 55.055 54.000 0.097 0.000 0.826 176 D CB -0.194 40.703 40.800 0.163 0.000 0.971 176 D HN 0.186 nan 8.370 nan 0.000 0.453 177 W N 1.859 123.145 121.300 -0.024 0.000 2.342 177 W HA -0.152 4.509 4.660 0.000 0.000 0.297 177 W C 2.682 179.271 176.519 0.116 0.000 1.213 177 W CA 2.580 59.950 57.345 0.042 0.000 1.251 177 W CB -0.859 28.564 29.460 -0.062 0.000 1.136 177 W HN 0.112 nan 8.180 nan 0.000 0.526 178 S N -1.267 114.489 115.700 0.093 0.000 2.469 178 S HA -0.031 4.439 4.470 -0.000 0.000 0.238 178 S C 1.763 176.411 174.600 0.081 0.000 0.998 178 S CA 1.253 59.429 58.200 -0.041 0.000 0.957 178 S CB -0.698 62.483 63.200 -0.031 0.000 0.764 178 S HN 0.261 nan 8.310 nan 0.000 0.514 179 G N 0.143 109.024 108.800 0.134 0.000 3.377 179 G HA2 0.369 4.329 3.960 -0.000 0.000 0.257 179 G HA3 0.369 4.329 3.960 -0.000 0.000 0.257 179 G C 0.699 175.670 174.900 0.119 0.000 1.038 179 G CA 0.306 45.483 45.100 0.129 0.000 0.809 179 G HN 0.738 nan 8.290 nan 0.000 0.526 180 S N -0.721 115.080 115.700 0.169 0.000 2.820 180 S HA 0.055 4.525 4.470 -0.000 0.000 0.265 180 S C 1.624 176.298 174.600 0.122 0.000 1.043 180 S CA 0.095 58.366 58.200 0.118 0.000 1.245 180 S CB -0.716 62.592 63.200 0.180 0.000 1.187 180 S HN 0.434 nan 8.310 nan 0.000 0.673 181 Y N 2.022 122.310 120.300 -0.019 0.000 2.446 181 Y HA 0.097 4.646 4.550 -0.000 0.000 0.287 181 Y C 1.623 177.563 175.900 0.067 0.000 1.159 181 Y CA 1.146 59.205 58.100 -0.068 0.000 1.297 181 Y CB -0.961 37.104 38.460 -0.658 0.000 0.974 181 Y HN 0.314 nan 8.280 nan 0.000 0.557 182 E N 0.284 120.108 120.200 -0.627 0.000 2.118 182 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 182 E C 1.659 178.199 176.600 -0.099 0.000 0.992 182 E CA 2.097 58.239 56.400 -0.432 0.000 0.804 182 E CB -0.099 29.352 29.700 -0.415 0.000 0.741 182 E HN 0.761 nan 8.360 nan 0.000 0.458 183 T N -3.442 111.108 114.554 -0.007 0.000 3.004 183 T HA 0.498 4.848 4.350 -0.000 0.000 0.266 183 T C 0.145 174.935 174.700 0.150 0.000 0.986 183 T CA -0.118 62.020 62.100 0.064 0.000 0.902 183 T CB 0.912 69.802 68.868 0.037 0.000 1.118 183 T HN 0.096 nan 8.240 nan 0.000 0.522 184 A N 1.259 124.225 122.820 0.243 0.000 2.350 184 A HA 0.730 5.049 4.320 -0.000 0.000 0.324 184 A C -1.147 176.747 177.584 0.517 0.000 1.118 184 A CA -0.722 51.509 52.037 0.323 0.000 0.783 184 A CB 0.969 20.154 19.000 0.310 0.000 1.236 184 A HN 0.565 nan 8.150 nan 0.000 0.457 185 H N 0.721 119.958 119.070 0.278 0.000 2.457 185 H HA 0.508 5.064 4.556 -0.000 0.000 0.335 185 H C -1.672 173.634 175.328 -0.037 0.000 1.115 185 H CA -0.629 55.558 56.048 0.232 0.000 1.219 185 H CB 0.904 30.765 29.762 0.166 0.000 1.471 185 H HN 0.556 nan 8.280 nan 0.000 0.491 186 Y N 5.992 125.448 120.300 -1.407 0.000 2.477 186 Y HA 0.196 4.746 4.550 -0.000 0.000 0.349 186 Y C -0.378 174.870 175.900 -1.086 0.000 0.977 186 Y CA -1.129 56.173 58.100 -1.331 0.000 1.214 186 Y CB 0.239 37.525 38.460 -1.957 0.000 1.124 186 Y HN 0.770 nan 8.280 nan 0.000 0.521 187 M N 8.747 127.915 119.600 -0.719 0.000 2.974 187 M HA 0.225 4.705 4.480 -0.000 0.000 0.301 187 M C -1.091 174.875 176.300 -0.557 0.000 1.409 187 M CA -0.267 54.789 55.300 -0.406 0.000 1.515 187 M CB -0.315 32.260 32.600 -0.042 0.000 1.163 187 M HN 0.738 nan 8.290 nan 0.000 0.520 188 L N 3.175 123.752 121.223 -1.075 0.000 2.490 188 L HA 0.179 4.519 4.340 -0.000 0.000 0.274 188 L C 1.276 177.756 176.870 -0.651 0.000 1.201 188 L CA 0.221 54.403 54.840 -1.097 0.000 0.869 188 L CB 0.962 42.156 42.059 -1.442 0.000 1.123 188 L HN 0.796 nan 8.230 nan 0.000 0.484 189 G N 2.106 110.416 108.800 -0.816 0.000 2.985 189 G HA2 0.062 4.022 3.960 -0.000 0.000 0.209 189 G HA3 0.062 4.022 3.960 -0.000 0.000 0.209 189 G C 0.367 174.897 174.900 -0.618 0.000 1.165 189 G CA 0.588 44.922 45.100 -1.277 0.000 0.776 189 G HN 0.592 nan 8.290 nan 0.000 0.541 190 T N -1.973 112.322 114.554 -0.432 0.000 2.731 190 T HA 0.515 4.864 4.350 -0.000 0.000 0.300 190 T C -0.577 173.991 174.700 -0.220 0.000 1.283 190 T CA 0.232 62.146 62.100 -0.309 0.000 1.005 190 T CB 1.114 69.717 68.868 -0.441 0.000 1.420 190 T HN 0.224 nan 8.240 nan 0.000 0.503 191 A N 1.163 123.896 122.820 -0.145 0.000 3.074 191 A HA 0.698 5.018 4.320 -0.000 0.000 0.251 191 A C 0.577 178.112 177.584 -0.081 0.000 1.695 191 A CA 0.516 52.500 52.037 -0.089 0.000 1.343 191 A CB -1.628 17.342 19.000 -0.050 0.000 1.078 191 A HN 1.175 nan 8.150 nan 0.000 0.644 192 A N -0.862 121.892 122.820 -0.110 0.000 2.535 192 A HA 0.961 5.281 4.320 -0.000 0.000 0.296 192 A C 0.487 178.004 177.584 -0.112 0.000 1.248 192 A CA -0.038 51.979 52.037 -0.033 0.000 0.686 192 A CB 0.096 19.113 19.000 0.027 0.000 1.315 192 A HN 2.302 nan 8.150 nan 0.000 0.460 193 G N -1.369 107.335 108.800 -0.160 0.000 2.698 193 G HA2 0.075 4.034 3.960 -0.000 0.000 0.225 193 G HA3 0.075 4.034 3.960 -0.000 0.000 0.225 193 G C -3.031 171.742 174.900 -0.212 0.000 1.345 193 G CA -0.211 44.519 45.100 -0.617 0.000 0.871 193 G HN 1.029 nan 8.290 nan 0.000 0.540 194 P HA 0.262 nan 4.420 nan 0.000 0.275 194 P C -0.163 177.207 177.300 0.116 0.000 1.228 194 P CA -0.004 63.118 63.100 0.037 0.000 0.786 194 P CB 0.755 32.495 31.700 0.066 0.000 0.927 195 H N 4.626 123.677 119.070 -0.031 0.000 2.948 195 H HA 0.042 4.598 4.556 -0.000 0.000 0.351 195 H C -1.399 173.872 175.328 -0.094 0.000 1.079 195 H CA -0.670 55.330 56.048 -0.080 0.000 1.407 195 H CB 0.308 29.987 29.762 -0.138 0.000 1.373 195 H HN 0.269 nan 8.280 nan 0.000 0.605 196 P HA -0.039 nan 4.420 nan 0.000 0.257 196 P C 0.333 177.247 177.300 -0.644 0.000 1.325 196 P CA 0.354 62.799 63.100 -1.091 0.000 0.850 196 P CB -0.017 31.032 31.700 -1.084 0.000 1.324 197 Y N 1.613 121.723 120.300 -0.317 0.000 2.128 197 Y HA -0.117 4.433 4.550 -0.000 0.000 0.284 197 Y C -0.191 175.564 175.900 -0.242 0.000 1.154 197 Y CA 2.077 60.002 58.100 -0.290 0.000 1.149 197 Y CB -2.463 35.839 38.460 -0.263 0.000 0.976 197 Y HN 0.176 nan 8.280 nan 0.000 0.505 198 P HA -0.144 nan 4.420 nan 0.000 0.215 198 P C 1.545 178.837 177.300 -0.014 0.000 1.153 198 P CA 2.429 65.541 63.100 0.020 0.000 0.853 198 P CB -0.070 31.718 31.700 0.146 0.000 0.788 199 T N -0.784 113.766 114.554 -0.007 0.000 2.770 199 T HA -0.048 4.302 4.350 -0.000 0.000 0.263 199 T C 1.777 176.244 174.700 -0.389 0.000 1.039 199 T CA 0.974 63.038 62.100 -0.061 0.000 1.142 199 T CB -0.845 68.012 68.868 -0.018 0.000 0.868 199 T HN 0.043 nan 8.240 nan 0.000 0.435 200 I N 0.977 121.083 120.570 -0.773 0.000 2.179 200 I HA -0.162 4.008 4.170 -0.000 0.000 0.242 200 I C 2.461 178.164 176.117 -0.690 0.000 1.088 200 I CA 1.017 61.586 61.300 -1.220 0.000 1.357 200 I CB -0.465 36.807 38.000 -1.213 0.000 1.051 200 I HN 0.083 nan 8.210 nan 0.000 0.409 201 V N 0.895 120.617 119.914 -0.319 0.000 2.407 201 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 201 V C 2.626 178.716 176.094 -0.006 0.000 1.055 201 V CA 1.923 64.172 62.300 -0.085 0.000 1.049 201 V CB -0.850 30.947 31.823 -0.043 0.000 0.662 201 V HN 0.436 nan 8.190 nan 0.000 0.455 202 R N 0.198 120.670 120.500 -0.047 0.000 2.070 202 R HA -0.177 4.162 4.340 -0.000 0.000 0.233 202 R C 2.286 178.643 176.300 0.096 0.000 1.137 202 R CA 1.758 57.871 56.100 0.023 0.000 0.945 202 R CB -0.232 30.073 30.300 0.007 0.000 0.845 202 R HN 0.446 nan 8.270 nan 0.000 0.430 203 E N 0.039 120.279 120.200 0.066 0.000 2.204 203 E HA -0.165 4.184 4.350 -0.000 0.000 0.195 203 E C 1.546 178.416 176.600 0.450 0.000 0.990 203 E CA 0.885 57.413 56.400 0.213 0.000 0.821 203 E CB -0.113 29.749 29.700 0.270 0.000 0.750 203 E HN 0.355 nan 8.360 nan 0.000 0.477 204 F N 0.328 120.428 119.950 0.250 0.000 2.797 204 F HA 0.099 4.626 4.527 -0.000 0.000 0.302 204 F C 1.755 177.736 175.800 0.302 0.000 1.130 204 F CA 0.379 58.591 58.000 0.354 0.000 1.387 204 F CB 0.227 39.375 39.000 0.247 0.000 1.107 204 F HN -0.053 nan 8.300 nan 0.000 0.577 205 Q N -1.079 118.943 119.800 0.371 0.000 2.185 205 Q HA 0.138 4.478 4.340 -0.000 0.000 0.234 205 Q C 2.086 178.199 176.000 0.188 0.000 0.819 205 Q CA -0.062 55.893 55.803 0.255 0.000 0.961 205 Q CB 0.289 29.153 28.738 0.210 0.000 1.140 205 Q HN 0.317 nan 8.270 nan 0.000 0.492 206 R N 1.592 122.212 120.500 0.200 0.000 2.170 206 R HA -0.113 4.227 4.340 -0.000 0.000 0.242 206 R C 2.093 178.452 176.300 0.098 0.000 1.145 206 R CA 1.356 57.542 56.100 0.143 0.000 0.984 206 R CB 0.059 30.454 30.300 0.158 0.000 0.869 206 R HN 0.185 nan 8.270 nan 0.000 0.455 207 M N -0.560 119.098 119.600 0.096 0.000 2.358 207 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 207 M C 1.654 177.979 176.300 0.041 0.000 1.064 207 M CA 1.526 56.850 55.300 0.040 0.000 1.093 207 M CB -0.867 31.729 32.600 -0.006 0.000 1.401 207 M HN 0.126 nan 8.290 nan 0.000 0.440 208 I N 1.501 122.115 120.570 0.072 0.000 2.142 208 I HA -0.180 3.990 4.170 -0.000 0.000 0.240 208 I C 2.844 179.018 176.117 0.095 0.000 1.078 208 I CA 1.620 62.969 61.300 0.082 0.000 1.343 208 I CB -1.207 36.848 38.000 0.092 0.000 1.046 208 I HN 0.427 nan 8.210 nan 0.000 0.405 209 G N 0.209 109.070 108.800 0.102 0.000 2.408 209 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 209 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 209 G C 1.505 176.348 174.900 -0.095 0.000 1.150 209 G CA 0.480 45.640 45.100 0.101 0.000 0.776 209 G HN 0.424 nan 8.290 nan 0.000 0.542 210 E N 0.451 120.600 120.200 -0.086 0.000 2.077 210 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 210 E C 2.391 178.952 176.600 -0.064 0.000 0.989 210 E CA 1.085 57.417 56.400 -0.114 0.000 0.800 210 E CB -0.110 29.556 29.700 -0.057 0.000 0.746 210 E HN 0.550 nan 8.360 nan 0.000 0.452 211 E N 0.207 120.398 120.200 -0.015 0.000 2.072 211 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 211 E C 2.174 178.788 176.600 0.024 0.000 0.985 211 E CA 1.391 57.792 56.400 0.002 0.000 0.801 211 E CB -0.035 29.672 29.700 0.012 0.000 0.750 211 E HN 0.152 nan 8.360 nan 0.000 0.452 212 T N 1.286 115.883 114.554 0.072 0.000 2.720 212 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 212 T C 1.803 176.604 174.700 0.169 0.000 1.037 212 T CA 1.541 63.721 62.100 0.135 0.000 1.144 212 T CB -0.125 68.898 68.868 0.258 0.000 0.864 212 T HN 0.132 nan 8.240 nan 0.000 0.444 213 K N 1.019 121.506 120.400 0.144 0.000 2.026 213 K HA -0.023 4.297 4.320 -0.000 0.000 0.208 213 K C 2.541 179.165 176.600 0.041 0.000 1.048 213 K CA 1.268 57.625 56.287 0.117 0.000 0.929 213 K CB -0.344 32.034 32.500 -0.202 0.000 0.713 213 K HN 0.267 nan 8.250 nan 0.000 0.439 214 A N 1.067 123.884 122.820 -0.005 0.000 1.902 214 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 214 A C 2.033 179.610 177.584 -0.013 0.000 1.181 214 A CA 1.576 53.607 52.037 -0.010 0.000 0.623 214 A CB -0.517 18.472 19.000 -0.018 0.000 0.818 214 A HN 0.510 nan 8.150 nan 0.000 0.443 215 Q N -1.310 118.480 119.800 -0.016 0.000 2.079 215 Q HA -0.085 4.255 4.340 -0.000 0.000 0.200 215 Q C 2.008 177.947 176.000 -0.102 0.000 0.974 215 Q CA 1.356 57.133 55.803 -0.044 0.000 0.840 215 Q CB -0.262 28.454 28.738 -0.037 0.000 0.898 215 Q HN 0.638 nan 8.270 nan 0.000 0.430 216 I N 0.505 121.007 120.570 -0.114 0.000 2.394 216 I HA -0.199 3.970 4.170 -0.000 0.000 0.251 216 I C 1.756 177.812 176.117 -0.101 0.000 1.136 216 I CA 1.091 62.270 61.300 -0.201 0.000 1.425 216 I CB 0.015 37.919 38.000 -0.161 0.000 1.079 216 I HN 0.153 nan 8.210 nan 0.000 0.425 217 L N -0.074 121.129 121.223 -0.033 0.000 2.093 217 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 217 L C 2.151 179.011 176.870 -0.017 0.000 1.085 217 L CA 1.802 56.635 54.840 -0.011 0.000 0.755 217 L CB -0.696 41.368 42.059 0.008 0.000 0.904 217 L HN 0.305 nan 8.230 nan 0.000 0.435 218 D N 0.168 120.553 120.400 -0.025 0.000 2.117 218 D HA -0.179 4.461 4.640 -0.000 0.000 0.198 218 D C 2.087 178.380 176.300 -0.012 0.000 0.982 218 D CA 1.401 55.392 54.000 -0.015 0.000 0.828 218 D CB 0.203 40.995 40.800 -0.014 0.000 0.967 218 D HN 0.127 nan 8.370 nan 0.000 0.464 219 K N -0.646 119.733 120.400 -0.035 0.000 2.243 219 K HA 0.061 4.380 4.320 -0.000 0.000 0.201 219 K C 1.390 178.002 176.600 0.021 0.000 1.051 219 K CA 0.725 57.010 56.287 -0.004 0.000 0.970 219 K CB 0.355 32.841 32.500 -0.023 0.000 0.755 219 K HN 0.098 nan 8.250 nan 0.000 0.465 220 E N -0.923 119.267 120.200 -0.016 0.000 2.541 220 E HA 0.084 4.434 4.350 -0.000 0.000 0.219 220 E C 0.826 177.432 176.600 0.011 0.000 0.922 220 E CA 0.495 56.905 56.400 0.016 0.000 1.095 220 E CB 1.409 31.115 29.700 0.010 0.000 1.112 220 E HN 0.351 nan 8.360 nan 0.000 0.516 221 G N 2.879 111.680 108.800 0.000 0.000 2.153 221 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.252 221 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.252 221 G C 0.275 175.180 174.900 0.009 0.000 0.994 221 G CA 1.048 46.152 45.100 0.006 0.000 0.698 221 G HN 0.351 nan 8.290 nan 0.000 0.521 222 R N -1.880 118.624 120.500 0.007 0.000 2.728 222 R HA 0.752 5.091 4.340 -0.000 0.000 0.274 222 R C -0.425 175.884 176.300 0.016 0.000 1.030 222 R CA -1.340 54.769 56.100 0.014 0.000 0.876 222 R CB 0.752 31.059 30.300 0.011 0.000 1.259 222 R HN 0.124 nan 8.270 nan 0.000 0.468 223 L N 1.527 122.768 121.223 0.030 0.000 2.439 223 L HA 0.503 4.843 4.340 -0.000 0.000 0.261 223 L C -1.779 175.072 176.870 -0.033 0.000 1.153 223 L CA -2.133 52.731 54.840 0.039 0.000 0.808 223 L CB 0.621 42.733 42.059 0.089 0.000 1.126 223 L HN 0.501 nan 8.230 nan 0.000 0.460 224 P HA 0.047 nan 4.420 nan 0.000 0.274 224 P C -0.583 176.641 177.300 -0.127 0.000 1.237 224 P CA -0.327 62.699 63.100 -0.124 0.000 0.793 224 P CB 0.989 32.572 31.700 -0.195 0.000 0.977 225 D N -0.182 120.167 120.400 -0.085 0.000 2.234 225 D HA 0.118 4.758 4.640 -0.000 0.000 0.205 225 D C 0.594 176.827 176.300 -0.111 0.000 0.962 225 D CA 1.212 55.165 54.000 -0.078 0.000 0.855 225 D CB 0.310 41.082 40.800 -0.047 0.000 0.951 225 D HN 0.492 nan 8.370 nan 0.000 0.500 226 A N 0.026 122.767 122.820 -0.132 0.000 2.594 226 A HA 0.479 4.799 4.320 -0.000 0.000 0.296 226 A C -1.085 176.405 177.584 -0.158 0.000 1.061 226 A CA -0.770 51.176 52.037 -0.152 0.000 0.689 226 A CB 1.429 20.374 19.000 -0.091 0.000 1.280 226 A HN -0.053 nan 8.150 nan 0.000 0.406 227 V N -0.185 119.620 119.914 -0.182 0.000 2.495 227 V HA 0.880 5.000 4.120 -0.000 0.000 0.298 227 V C -0.547 175.587 176.094 0.068 0.000 1.031 227 V CA -0.620 61.630 62.300 -0.083 0.000 0.871 227 V CB 1.014 32.761 31.823 -0.127 0.000 0.988 227 V HN 0.683 nan 8.190 nan 0.000 0.432 228 I N 4.135 124.770 120.570 0.107 0.000 2.433 228 I HA 0.909 5.079 4.170 -0.000 0.000 0.292 228 I C 0.201 176.392 176.117 0.124 0.000 1.001 228 I CA -0.667 60.716 61.300 0.138 0.000 1.119 228 I CB 1.926 39.995 38.000 0.114 0.000 1.289 228 I HN 0.985 nan 8.210 nan 0.000 0.438 229 A N 4.262 127.144 122.820 0.103 0.000 2.549 229 A HA 0.679 4.999 4.320 -0.000 0.000 0.297 229 A C -0.480 177.073 177.584 -0.052 0.000 1.061 229 A CA -0.699 51.325 52.037 -0.021 0.000 0.690 229 A CB 1.177 20.078 19.000 -0.166 0.000 1.287 229 A HN 0.940 nan 8.150 nan 0.000 0.402 230 C N 0.566 119.830 119.300 -0.061 0.000 2.604 230 C HA 0.745 5.205 4.460 -0.000 0.000 0.396 230 C C 0.139 175.048 174.990 -0.134 0.000 1.282 230 C CA -0.546 58.436 59.018 -0.060 0.000 2.292 230 C CB -0.253 27.467 27.740 -0.034 0.000 2.633 230 C HN 0.670 nan 8.230 nan 0.000 0.620 231 V N 4.094 123.934 119.914 -0.124 0.000 2.380 231 V HA 0.580 4.700 4.120 -0.000 0.000 0.286 231 V C 0.836 176.862 176.094 -0.113 0.000 1.015 231 V CA 0.721 62.922 62.300 -0.164 0.000 0.834 231 V CB 0.758 32.474 31.823 -0.178 0.000 1.009 231 V HN 1.272 nan 8.190 nan 0.000 0.428 232 G N 3.296 112.040 108.800 -0.093 0.000 2.760 232 G HA2 0.263 4.223 3.960 -0.000 0.000 0.214 232 G HA3 0.263 4.223 3.960 -0.000 0.000 0.214 232 G C 1.193 176.119 174.900 0.044 0.000 1.212 232 G CA 0.900 45.985 45.100 -0.026 0.000 0.858 232 G HN 0.802 nan 8.290 nan 0.000 0.611 233 G N -1.250 107.509 108.800 -0.069 0.000 2.784 233 G HA2 0.404 4.364 3.960 -0.000 0.000 0.208 233 G HA3 0.404 4.364 3.960 -0.000 0.000 0.208 233 G C 1.065 175.903 174.900 -0.103 0.000 1.120 233 G CA 0.868 45.850 45.100 -0.197 0.000 0.774 233 G HN 1.654 nan 8.290 nan 0.000 0.528 234 G N 0.147 108.886 108.800 -0.103 0.000 2.192 234 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.193 234 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.193 234 G C 1.546 176.493 174.900 0.077 0.000 0.999 234 G CA 1.067 46.142 45.100 -0.043 0.000 0.659 234 G HN 1.194 nan 8.290 nan 0.000 0.503 235 S N 1.474 117.175 115.700 0.002 0.000 2.345 235 S HA -0.156 4.314 4.470 -0.000 0.000 0.220 235 S C 2.202 176.802 174.600 -0.001 0.000 1.031 235 S CA 1.735 59.961 58.200 0.044 0.000 0.996 235 S CB -0.620 62.641 63.200 0.102 0.000 0.882 235 S HN 0.982 nan 8.310 nan 0.000 0.445 236 N N 3.033 121.619 118.700 -0.189 0.000 2.244 236 N HA -0.073 4.667 4.740 -0.000 0.000 0.183 236 N C 1.915 177.245 175.510 -0.299 0.000 1.016 236 N CA 1.366 54.149 53.050 -0.446 0.000 0.866 236 N CB -0.596 37.220 38.487 -1.118 0.000 0.980 236 N HN 0.563 nan 8.380 nan 0.000 0.430 237 A N 1.394 124.016 122.820 -0.330 0.000 1.873 237 A HA -0.024 4.296 4.320 -0.000 0.000 0.215 237 A C 2.246 179.423 177.584 -0.678 0.000 1.186 237 A CA 0.955 52.632 52.037 -0.599 0.000 0.616 237 A CB -0.670 17.956 19.000 -0.623 0.000 0.823 237 A HN 0.280 nan 8.150 nan 0.000 0.442 238 I N 0.207 120.657 120.570 -0.201 0.000 2.493 238 I HA -0.066 4.104 4.170 -0.000 0.000 0.254 238 I C 2.286 178.393 176.117 -0.016 0.000 1.160 238 I CA 1.196 62.425 61.300 -0.118 0.000 1.445 238 I CB -0.504 37.414 38.000 -0.137 0.000 1.086 238 I HN 0.245 nan 8.210 nan 0.000 0.433 239 G N 0.073 108.862 108.800 -0.018 0.000 2.418 239 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 239 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 239 G C 1.607 176.559 174.900 0.088 0.000 1.158 239 G CA 1.103 46.237 45.100 0.057 0.000 0.771 239 G HN 0.386 nan 8.290 nan 0.000 0.545 240 M N -0.183 119.448 119.600 0.053 0.000 2.193 240 M HA 0.259 4.739 4.480 -0.000 0.000 0.265 240 M C 1.954 178.533 176.300 0.465 0.000 1.071 240 M CA 0.899 56.321 55.300 0.203 0.000 1.140 240 M CB -0.420 32.261 32.600 0.135 0.000 1.369 240 M HN 0.094 nan 8.290 nan 0.000 0.423 241 F N 0.672 120.741 119.950 0.198 0.000 2.113 241 F HA 0.102 4.629 4.527 -0.000 0.000 0.297 241 F C 2.567 178.487 175.800 0.200 0.000 1.103 241 F CA 0.692 58.824 58.000 0.219 0.000 1.248 241 F CB -2.024 37.062 39.000 0.144 0.000 0.999 241 F HN 0.279 nan 8.300 nan 0.000 0.475 242 A N 0.432 123.446 122.820 0.323 0.000 1.893 242 A HA -0.368 3.952 4.320 -0.000 0.000 0.222 242 A C 1.970 179.616 177.584 0.104 0.000 1.309 242 A CA 2.667 54.814 52.037 0.183 0.000 0.681 242 A CB -1.452 17.625 19.000 0.128 0.000 0.842 242 A HN 0.351 nan 8.150 nan 0.000 0.468 243 D N -2.469 117.924 120.400 -0.011 0.000 2.378 243 D HA 0.000 4.640 4.640 -0.000 0.000 0.222 243 D C 0.958 177.082 176.300 -0.293 0.000 0.980 243 D CA 0.669 54.553 54.000 -0.194 0.000 0.907 243 D CB -0.142 40.447 40.800 -0.351 0.000 0.899 243 D HN 0.451 nan 8.370 nan 0.000 0.527 244 F N -0.643 119.352 119.950 0.075 0.000 2.704 244 F HA 0.321 4.848 4.527 -0.000 0.000 0.304 244 F C 1.751 177.564 175.800 0.020 0.000 1.094 244 F CA -0.279 57.744 58.000 0.039 0.000 1.275 244 F CB -0.033 38.983 39.000 0.027 0.000 1.073 244 F HN -0.039 nan 8.300 nan 0.000 0.586 245 I N 0.475 121.157 120.570 0.187 0.000 2.194 245 I HA -0.356 3.814 4.170 -0.000 0.000 0.246 245 I C 1.602 177.777 176.117 0.098 0.000 1.093 245 I CA 1.377 62.752 61.300 0.126 0.000 1.355 245 I CB -0.285 37.795 38.000 0.135 0.000 1.046 245 I HN 0.147 nan 8.210 nan 0.000 0.413 246 N N 0.338 119.092 118.700 0.091 0.000 2.461 246 N HA -0.032 4.708 4.740 -0.000 0.000 0.188 246 N C -0.168 175.385 175.510 0.071 0.000 1.134 246 N CA 0.637 53.730 53.050 0.072 0.000 0.878 246 N CB -0.103 38.419 38.487 0.058 0.000 0.972 246 N HN 0.313 nan 8.380 nan 0.000 0.456 247 D N 0.764 121.224 120.400 0.101 0.000 2.524 247 D HA 0.032 4.672 4.640 -0.000 0.000 0.222 247 D C 1.233 177.575 176.300 0.070 0.000 1.142 247 D CA 0.052 54.115 54.000 0.105 0.000 0.973 247 D CB 0.564 41.481 40.800 0.196 0.000 1.025 247 D HN 0.222 nan 8.370 nan 0.000 0.519 248 T N -1.958 112.621 114.554 0.042 0.000 2.918 248 T HA -0.233 4.117 4.350 -0.000 0.000 0.271 248 T C 1.844 176.543 174.700 -0.002 0.000 1.104 248 T CA 1.426 63.535 62.100 0.016 0.000 1.114 248 T CB -0.071 68.806 68.868 0.015 0.000 0.855 248 T HN 0.233 nan 8.240 nan 0.000 0.518 249 S N 0.185 115.887 115.700 0.004 0.000 2.527 249 S HA 0.185 4.655 4.470 -0.000 0.000 0.222 249 S C 0.639 175.215 174.600 -0.039 0.000 0.985 249 S CA -0.403 57.789 58.200 -0.013 0.000 0.921 249 S CB -0.405 62.794 63.200 -0.002 0.000 0.772 249 S HN 0.381 nan 8.310 nan 0.000 0.529 250 V N 2.688 122.576 119.914 -0.044 0.000 2.385 250 V HA 0.593 4.713 4.120 -0.000 0.000 0.269 250 V C 1.087 177.087 176.094 -0.156 0.000 1.043 250 V CA -0.449 61.780 62.300 -0.118 0.000 0.906 250 V CB 0.391 32.122 31.823 -0.154 0.000 0.995 250 V HN 0.447 nan 8.190 nan 0.000 0.467 251 G N 5.243 113.940 108.800 -0.172 0.000 2.442 251 G HA2 0.504 4.464 3.960 -0.000 0.000 0.249 251 G HA3 0.504 4.464 3.960 -0.000 0.000 0.249 251 G C -0.616 174.100 174.900 -0.305 0.000 1.263 251 G CA -0.456 44.526 45.100 -0.196 0.000 0.846 251 G HN 0.639 nan 8.290 nan 0.000 0.555 252 L N 2.404 123.370 121.223 -0.428 0.000 2.343 252 L HA 0.473 4.813 4.340 -0.000 0.000 0.278 252 L C -0.427 176.048 176.870 -0.657 0.000 0.996 252 L CA -0.475 53.870 54.840 -0.825 0.000 0.831 252 L CB 1.653 42.962 42.059 -1.251 0.000 1.232 252 L HN 0.322 nan 8.230 nan 0.000 0.413 253 I N 2.585 122.935 120.570 -0.368 0.000 2.410 253 I HA 0.456 4.626 4.170 -0.000 0.000 0.286 253 I C 0.482 176.588 176.117 -0.018 0.000 1.009 253 I CA -0.386 60.775 61.300 -0.231 0.000 1.111 253 I CB 1.987 39.916 38.000 -0.119 0.000 1.262 253 I HN 0.611 nan 8.210 nan 0.000 0.443 254 G N 5.482 114.121 108.800 -0.269 0.000 2.356 254 G HA2 0.592 4.552 3.960 -0.000 0.000 0.322 254 G HA3 0.592 4.552 3.960 -0.000 0.000 0.322 254 G C -0.786 174.087 174.900 -0.045 0.000 1.125 254 G CA -0.350 44.705 45.100 -0.075 0.000 0.885 254 G HN 0.330 nan 8.290 nan 0.000 0.467 255 V N 2.766 122.677 119.914 -0.006 0.000 2.350 255 V HA 0.303 4.423 4.120 -0.000 0.000 0.285 255 V C 0.030 176.136 176.094 0.019 0.000 1.014 255 V CA -0.754 61.545 62.300 -0.000 0.000 0.831 255 V CB 1.049 32.890 31.823 0.030 0.000 1.000 255 V HN 0.794 nan 8.190 nan 0.000 0.433 256 E N 6.347 126.570 120.200 0.039 0.000 2.283 256 E HA 0.366 4.716 4.350 -0.000 0.000 0.267 256 E C -2.476 174.135 176.600 0.019 0.000 1.045 256 E CA -1.971 54.436 56.400 0.012 0.000 0.884 256 E CB 1.473 31.199 29.700 0.043 0.000 1.106 256 E HN 0.429 nan 8.360 nan 0.000 0.408 257 P HA 0.038 nan 4.420 nan 0.000 0.282 257 P C -0.010 177.340 177.300 0.083 0.000 1.262 257 P CA -0.041 63.033 63.100 -0.042 0.000 0.773 257 P CB 1.115 32.661 31.700 -0.257 0.000 0.879 258 G N 2.366 111.249 108.800 0.137 0.000 3.042 258 G HA2 0.276 4.236 3.960 -0.000 0.000 0.212 258 G HA3 0.276 4.236 3.960 -0.000 0.000 0.212 258 G C 0.965 175.958 174.900 0.155 0.000 1.166 258 G CA 0.468 45.633 45.100 0.109 0.000 0.767 258 G HN 0.795 nan 8.290 nan 0.000 0.546 259 G N 0.880 109.752 108.800 0.120 0.000 2.651 259 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.315 259 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.315 259 G C 0.902 175.888 174.900 0.143 0.000 1.258 259 G CA 0.575 45.738 45.100 0.105 0.000 1.002 259 G HN 0.404 nan 8.290 nan 0.000 0.551 260 H N 2.500 121.767 119.070 0.328 0.000 2.547 260 H HA 0.387 4.943 4.556 -0.000 0.000 0.266 260 H C 1.525 176.916 175.328 0.105 0.000 0.988 260 H CA 1.493 57.640 56.048 0.164 0.000 1.147 260 H CB -0.240 29.561 29.762 0.064 0.000 1.365 260 H HN 1.781 nan 8.280 nan 0.000 0.589 261 G N 0.312 109.232 108.800 0.200 0.000 2.801 261 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.648 261 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.648 261 G C 0.442 175.387 174.900 0.075 0.000 1.415 261 G CA -0.552 44.612 45.100 0.106 0.000 0.887 261 G HN -0.014 nan 8.290 nan 0.000 0.627 262 I N 1.577 122.106 120.570 -0.068 0.000 2.194 262 I HA -0.174 3.996 4.170 -0.000 0.000 0.246 262 I C 2.862 178.936 176.117 -0.072 0.000 1.093 262 I CA 2.401 63.550 61.300 -0.251 0.000 1.355 262 I CB -0.783 36.845 38.000 -0.620 0.000 1.046 262 I HN 0.865 nan 8.210 nan 0.000 0.413 263 E N 1.067 121.238 120.200 -0.047 0.000 2.333 263 E HA -0.199 4.151 4.350 -0.000 0.000 0.198 263 E C 1.723 178.346 176.600 0.039 0.000 1.007 263 E CA 1.671 58.069 56.400 -0.004 0.000 0.845 263 E CB -1.079 28.618 29.700 -0.006 0.000 0.766 263 E HN 0.618 nan 8.360 nan 0.000 0.507 264 T N -3.321 111.277 114.554 0.073 0.000 3.067 264 T HA 0.276 4.626 4.350 -0.000 0.000 0.261 264 T C 1.656 176.407 174.700 0.086 0.000 1.110 264 T CA 0.978 63.123 62.100 0.075 0.000 1.113 264 T CB -0.205 68.724 68.868 0.102 0.000 0.917 264 T HN 0.383 nan 8.240 nan 0.000 0.499 265 G N 1.442 110.330 108.800 0.147 0.000 2.205 265 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.261 265 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.261 265 G C -0.062 174.835 174.900 -0.005 0.000 0.980 265 G CA 0.200 45.360 45.100 0.101 0.000 0.632 265 G HN 0.654 nan 8.290 nan 0.000 0.533 266 E N 0.970 121.228 120.200 0.097 0.000 2.136 266 E HA 0.508 4.858 4.350 -0.000 0.000 0.246 266 E C 0.308 177.060 176.600 0.252 0.000 1.017 266 E CA -0.138 56.319 56.400 0.096 0.000 0.883 266 E CB 0.174 29.941 29.700 0.111 0.000 1.199 266 E HN 0.882 nan 8.360 nan 0.000 0.447 267 H N -1.545 117.623 119.070 0.163 0.000 3.015 267 H HA 0.678 5.234 4.556 -0.000 0.000 0.282 267 H C 0.028 175.385 175.328 0.048 0.000 1.508 267 H CA -1.252 54.859 56.048 0.105 0.000 1.209 267 H CB 1.074 30.868 29.762 0.053 0.000 1.869 267 H HN 0.164 nan 8.280 nan 0.000 0.591 268 G N -1.086 107.861 108.800 0.245 0.000 4.917 268 G HA2 0.529 4.489 3.960 -0.000 0.000 0.244 268 G HA3 0.529 4.489 3.960 -0.000 0.000 0.244 268 G C -0.596 174.420 174.900 0.193 0.000 1.072 268 G CA 0.005 45.179 45.100 0.123 0.000 0.850 268 G HN 0.842 nan 8.290 nan 0.000 0.559 269 A N 1.761 124.832 122.820 0.420 0.000 3.150 269 A HA 0.663 4.983 4.320 -0.000 0.000 0.328 269 A C -0.906 176.800 177.584 0.203 0.000 1.104 269 A CA -1.230 50.938 52.037 0.218 0.000 0.937 269 A CB 0.890 19.986 19.000 0.161 0.000 1.073 269 A HN 0.185 nan 8.150 nan 0.000 0.497 270 P HA -0.184 nan 4.420 nan 0.000 0.219 270 P C 1.651 178.950 177.300 -0.002 0.000 1.150 270 P CA 0.575 63.723 63.100 0.081 0.000 0.814 270 P CB 0.251 31.970 31.700 0.031 0.000 0.787 271 L N -0.653 120.527 121.223 -0.072 0.000 2.042 271 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 271 L C 2.175 178.934 176.870 -0.185 0.000 1.076 271 L CA 1.878 56.608 54.840 -0.183 0.000 0.749 271 L CB -0.252 41.610 42.059 -0.329 0.000 0.893 271 L HN -0.138 nan 8.230 nan 0.000 0.432 272 K N -1.762 118.516 120.400 -0.203 0.000 2.354 272 K HA 0.118 4.438 4.320 -0.000 0.000 0.194 272 K C 0.932 177.167 176.600 -0.607 0.000 1.045 272 K CA 0.559 56.612 56.287 -0.388 0.000 1.026 272 K CB 0.286 32.502 32.500 -0.474 0.000 0.866 272 K HN 0.480 nan 8.250 nan 0.000 0.530 273 H N -1.241 117.821 119.070 -0.013 0.000 3.230 273 H HA 0.266 4.822 4.556 -0.000 0.000 0.259 273 H C 0.866 176.245 175.328 0.085 0.000 1.195 273 H CA 0.027 56.081 56.048 0.010 0.000 1.112 273 H CB 1.028 30.727 29.762 -0.105 0.000 1.638 273 H HN 0.072 nan 8.280 nan 0.000 0.624 274 G N 0.324 109.203 108.800 0.132 0.000 2.695 274 G HA2 0.487 4.447 3.960 -0.000 0.000 0.213 274 G HA3 0.487 4.447 3.960 -0.000 0.000 0.213 274 G C -0.348 174.594 174.900 0.070 0.000 1.406 274 G CA -0.503 44.663 45.100 0.109 0.000 1.049 274 G HN 0.081 nan 8.290 nan 0.000 0.573 275 R N -1.201 119.333 120.500 0.057 0.000 2.584 275 R HA 0.407 4.747 4.340 -0.000 0.000 0.276 275 R C -1.120 175.221 176.300 0.069 0.000 1.046 275 R CA -0.563 55.573 56.100 0.059 0.000 0.906 275 R CB 2.368 32.698 30.300 0.050 0.000 1.215 275 R HN 0.333 nan 8.270 nan 0.000 0.449 276 V N 2.988 122.962 119.914 0.101 0.000 2.599 276 V HA 0.312 4.431 4.120 -0.000 0.000 0.300 276 V C 0.991 177.138 176.094 0.089 0.000 1.034 276 V CA 0.808 63.191 62.300 0.139 0.000 1.115 276 V CB 0.911 32.861 31.823 0.210 0.000 0.934 276 V HN 0.965 nan 8.190 nan 0.000 0.485 277 G N 4.188 113.038 108.800 0.084 0.000 2.827 277 G HA2 0.732 4.691 3.960 -0.000 0.000 0.296 277 G HA3 0.732 4.691 3.960 -0.000 0.000 0.296 277 G C -1.437 173.472 174.900 0.015 0.000 1.362 277 G CA -0.793 44.332 45.100 0.042 0.000 0.809 277 G HN 0.540 nan 8.290 nan 0.000 0.522 278 I N 0.935 121.492 120.570 -0.022 0.000 2.448 278 I HA 0.476 4.646 4.170 -0.000 0.000 0.281 278 I C -1.344 174.817 176.117 0.073 0.000 1.027 278 I CA -0.563 60.663 61.300 -0.123 0.000 1.111 278 I CB 1.621 39.408 38.000 -0.355 0.000 1.236 278 I HN 0.539 nan 8.210 nan 0.000 0.452 279 Y N 6.215 126.504 120.300 -0.018 0.000 2.656 279 Y HA 0.312 4.862 4.550 -0.000 0.000 0.334 279 Y C -0.041 175.990 175.900 0.217 0.000 1.179 279 Y CA -1.817 56.328 58.100 0.075 0.000 1.050 279 Y CB 1.242 39.724 38.460 0.038 0.000 1.308 279 Y HN 0.491 nan 8.280 nan 0.000 0.456 280 F N 3.491 122.825 119.950 -1.028 0.000 3.090 280 F HA -0.228 4.299 4.527 -0.000 0.000 0.282 280 F C 1.131 176.833 175.800 -0.164 0.000 0.923 280 F CA 1.425 59.007 58.000 -0.696 0.000 0.977 280 F CB -0.681 37.958 39.000 -0.602 0.000 0.954 280 F HN 1.443 nan 8.300 nan 0.000 0.695 281 G N 1.478 110.252 108.800 -0.043 0.000 2.155 281 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.257 281 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.257 281 G C 0.009 175.003 174.900 0.156 0.000 0.983 281 G CA 0.657 45.781 45.100 0.040 0.000 0.676 281 G HN 1.221 nan 8.290 nan 0.000 0.528 282 M N -2.418 117.262 119.600 0.133 0.000 2.622 282 M HA 0.756 5.236 4.480 -0.000 0.000 0.276 282 M C -0.848 175.478 176.300 0.045 0.000 1.265 282 M CA -1.232 54.176 55.300 0.180 0.000 0.850 282 M CB 1.784 34.463 32.600 0.132 0.000 1.720 282 M HN -0.006 nan 8.290 nan 0.000 0.465 283 K N 1.597 122.056 120.400 0.099 0.000 2.263 283 K HA 0.834 5.154 4.320 -0.000 0.000 0.272 283 K C -1.619 175.156 176.600 0.290 0.000 1.033 283 K CA -0.160 56.175 56.287 0.079 0.000 0.884 283 K CB 1.229 33.813 32.500 0.139 0.000 1.107 283 K HN 0.882 nan 8.250 nan 0.000 0.460 284 A N 4.700 127.671 122.820 0.252 0.000 2.601 284 A HA 0.528 4.848 4.320 -0.000 0.000 0.291 284 A C -2.970 174.708 177.584 0.158 0.000 1.075 284 A CA -1.333 50.858 52.037 0.257 0.000 0.671 284 A CB 1.390 20.495 19.000 0.175 0.000 1.277 284 A HN 0.576 nan 8.150 nan 0.000 0.417 285 P HA 0.419 nan 4.420 nan 0.000 0.268 285 P C -0.631 176.689 177.300 0.033 0.000 1.205 285 P CA 0.423 63.548 63.100 0.043 0.000 0.771 285 P CB 0.587 32.265 31.700 -0.036 0.000 0.858 286 M N 0.124 119.744 119.600 0.033 0.000 2.721 286 M HA 0.516 4.995 4.480 -0.000 0.000 0.271 286 M C -0.837 175.461 176.300 -0.004 0.000 1.259 286 M CA -1.272 54.031 55.300 0.005 0.000 0.835 286 M CB 1.632 34.241 32.600 0.014 0.000 1.689 286 M HN -0.100 nan 8.290 nan 0.000 0.470 287 M N 3.117 122.693 119.600 -0.041 0.000 2.156 287 M HA 0.336 4.815 4.480 -0.000 0.000 0.345 287 M C -0.763 175.493 176.300 -0.073 0.000 1.398 287 M CA 0.455 55.723 55.300 -0.053 0.000 1.148 287 M CB -0.305 32.241 32.600 -0.090 0.000 1.663 287 M HN 0.761 nan 8.290 nan 0.000 0.464 288 Q N 1.325 121.095 119.800 -0.050 0.000 2.435 288 Q HA 0.652 4.992 4.340 -0.000 0.000 0.282 288 Q C -0.566 175.409 176.000 -0.042 0.000 1.020 288 Q CA -1.035 54.731 55.803 -0.062 0.000 0.820 288 Q CB 1.231 29.936 28.738 -0.055 0.000 1.436 288 Q HN 0.612 nan 8.270 nan 0.000 0.395 289 T N -1.758 112.766 114.554 -0.049 0.000 2.726 289 T HA 0.448 4.798 4.350 -0.000 0.000 0.294 289 T C 1.221 175.909 174.700 -0.020 0.000 1.013 289 T CA 0.002 62.082 62.100 -0.033 0.000 0.996 289 T CB 0.847 69.692 68.868 -0.038 0.000 1.016 289 T HN 0.799 nan 8.240 nan 0.000 0.529 290 A N 0.203 123.016 122.820 -0.011 0.000 2.070 290 A HA -0.027 4.293 4.320 -0.000 0.000 0.220 290 A C 1.887 179.467 177.584 -0.007 0.000 1.159 290 A CA 1.380 53.415 52.037 -0.003 0.000 0.656 290 A CB -0.827 18.173 19.000 0.000 0.000 0.800 290 A HN 0.854 nan 8.150 nan 0.000 0.453 291 D N -1.578 118.813 120.400 -0.014 0.000 2.347 291 D HA 0.235 4.874 4.640 -0.000 0.000 0.213 291 D C 1.392 177.680 176.300 -0.020 0.000 0.985 291 D CA 1.233 55.224 54.000 -0.015 0.000 0.879 291 D CB 0.195 40.984 40.800 -0.019 0.000 0.919 291 D HN 0.583 nan 8.370 nan 0.000 0.526 292 G N 0.381 109.165 108.800 -0.027 0.000 2.148 292 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.203 292 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.203 292 G C 0.119 174.981 174.900 -0.064 0.000 0.993 292 G CA -0.423 44.656 45.100 -0.035 0.000 0.661 292 G HN 0.134 nan 8.290 nan 0.000 0.518 293 Q N 0.406 120.163 119.800 -0.072 0.000 2.293 293 Q HA 0.467 4.807 4.340 -0.000 0.000 0.251 293 Q C 0.823 176.737 176.000 -0.142 0.000 0.930 293 Q CA -0.415 55.326 55.803 -0.104 0.000 0.893 293 Q CB 1.295 29.983 28.738 -0.082 0.000 1.215 293 Q HN 0.348 nan 8.270 nan 0.000 0.425 294 I N 2.011 122.445 120.570 -0.226 0.000 2.496 294 I HA 0.112 4.282 4.170 -0.000 0.000 0.285 294 I C 0.857 176.852 176.117 -0.204 0.000 1.080 294 I CA 0.259 61.390 61.300 -0.281 0.000 1.404 294 I CB 0.114 37.778 38.000 -0.560 0.000 1.403 294 I HN 0.490 nan 8.210 nan 0.000 0.539 295 E N 4.472 124.575 120.200 -0.162 0.000 2.264 295 E HA 0.428 4.777 4.350 -0.000 0.000 0.260 295 E C -0.648 175.878 176.600 -0.123 0.000 0.961 295 E CA -0.818 55.508 56.400 -0.123 0.000 0.834 295 E CB 1.498 31.138 29.700 -0.099 0.000 1.230 295 E HN 0.488 nan 8.360 nan 0.000 0.412 296 E N 0.233 120.379 120.200 -0.091 0.000 2.283 296 E HA 0.326 4.676 4.350 -0.000 0.000 0.267 296 E C -0.879 175.680 176.600 -0.067 0.000 1.045 296 E CA -0.453 55.903 56.400 -0.074 0.000 0.884 296 E CB 1.336 31.015 29.700 -0.036 0.000 1.106 296 E HN 0.101 nan 8.360 nan 0.000 0.408 297 S N 1.066 116.730 115.700 -0.059 0.000 2.442 297 S HA 0.208 4.678 4.470 -0.000 0.000 0.297 297 S C -1.338 173.248 174.600 -0.022 0.000 1.131 297 S CA -0.529 57.638 58.200 -0.054 0.000 1.092 297 S CB 0.201 63.367 63.200 -0.057 0.000 0.998 297 S HN 0.389 nan 8.310 nan 0.000 0.478 298 Y N 2.935 123.183 120.300 -0.087 0.000 2.342 298 Y HA 0.674 5.224 4.550 -0.000 0.000 0.334 298 Y C -0.082 175.774 175.900 -0.073 0.000 1.067 298 Y CA -0.332 57.722 58.100 -0.077 0.000 1.128 298 Y CB 1.239 39.646 38.460 -0.088 0.000 1.200 298 Y HN 0.575 nan 8.280 nan 0.000 0.464 299 S N 5.823 120.589 115.700 -1.557 0.000 2.543 299 S HA 0.255 4.725 4.470 -0.000 0.000 0.274 299 S C 0.215 174.261 174.600 -0.923 0.000 1.149 299 S CA -0.676 56.850 58.200 -1.124 0.000 0.866 299 S CB 0.766 63.687 63.200 -0.465 0.000 1.111 299 S HN 0.976 nan 8.310 nan 0.000 0.457 300 I N 2.687 122.975 120.570 -0.470 0.000 2.454 300 I HA 0.012 4.182 4.170 -0.000 0.000 0.254 300 I C 0.824 176.889 176.117 -0.088 0.000 1.156 300 I CA 1.191 62.409 61.300 -0.136 0.000 1.433 300 I CB -0.030 37.965 38.000 -0.008 0.000 1.082 300 I HN 0.545 nan 8.210 nan 0.000 0.432 301 S N 0.354 116.001 115.700 -0.089 0.000 2.411 301 S HA 0.461 4.931 4.470 -0.000 0.000 0.294 301 S C 1.121 175.669 174.600 -0.087 0.000 1.115 301 S CA 0.014 58.188 58.200 -0.043 0.000 1.071 301 S CB 1.394 64.597 63.200 0.006 0.000 0.967 301 S HN 0.407 nan 8.310 nan 0.000 0.488 302 A N 4.669 127.464 122.820 -0.041 0.000 2.024 302 A HA 0.030 4.349 4.320 -0.000 0.000 0.220 302 A C 2.047 179.618 177.584 -0.021 0.000 1.164 302 A CA 1.767 53.787 52.037 -0.028 0.000 0.643 302 A CB -1.090 17.914 19.000 0.007 0.000 0.806 302 A HN 0.960 nan 8.150 nan 0.000 0.451 303 G N -0.881 107.911 108.800 -0.013 0.000 2.598 303 G HA2 0.098 4.058 3.960 -0.000 0.000 0.215 303 G HA3 0.098 4.058 3.960 -0.000 0.000 0.215 303 G C 0.993 175.880 174.900 -0.023 0.000 1.131 303 G CA 0.512 45.612 45.100 -0.000 0.000 0.785 303 G HN 0.457 nan 8.290 nan 0.000 0.539 304 L N 1.619 122.797 121.223 -0.074 0.000 2.912 304 L HA 0.193 4.533 4.340 -0.000 0.000 0.240 304 L C 1.056 177.888 176.870 -0.063 0.000 1.262 304 L CA -0.137 54.645 54.840 -0.098 0.000 1.058 304 L CB 0.399 42.319 42.059 -0.232 0.000 1.383 304 L HN 0.182 nan 8.230 nan 0.000 0.512 305 D N -0.608 119.782 120.400 -0.018 0.000 2.340 305 D HA -0.130 4.510 4.640 -0.000 0.000 0.220 305 D C 0.662 176.996 176.300 0.056 0.000 1.039 305 D CA -0.376 53.621 54.000 -0.006 0.000 0.866 305 D CB 0.023 40.817 40.800 -0.009 0.000 0.913 305 D HN 0.069 nan 8.370 nan 0.000 0.523 306 F N 3.481 123.395 119.950 -0.060 0.000 2.571 306 F HA 0.132 4.659 4.527 -0.000 0.000 0.384 306 F C -1.377 174.408 175.800 -0.025 0.000 1.058 306 F CA -2.378 55.594 58.000 -0.047 0.000 1.200 306 F CB 0.886 39.862 39.000 -0.040 0.000 1.077 306 F HN -0.159 nan 8.300 nan 0.000 0.558 307 P HA -0.031 nan 4.420 nan 0.000 0.247 307 P C 0.012 177.114 177.300 -0.330 0.000 1.225 307 P CA 0.586 63.491 63.100 -0.325 0.000 0.768 307 P CB 0.441 31.983 31.700 -0.263 0.000 1.020 308 S N -1.568 113.821 115.700 -0.519 0.000 3.132 308 S HA 0.662 5.132 4.470 -0.000 0.000 0.322 308 S C -1.400 173.303 174.600 0.171 0.000 1.124 308 S CA -0.575 57.524 58.200 -0.169 0.000 0.906 308 S CB 1.362 64.474 63.200 -0.146 0.000 1.349 308 S HN -0.113 nan 8.310 nan 0.000 0.686 309 V N 0.330 120.404 119.914 0.266 0.000 3.147 309 V HA 0.697 4.817 4.120 -0.000 0.000 0.299 309 V C 0.087 176.297 176.094 0.194 0.000 1.302 309 V CA 0.046 62.485 62.300 0.231 0.000 1.015 309 V CB 1.264 33.096 31.823 0.014 0.000 1.086 309 V HN 1.218 nan 8.190 nan 0.000 0.437 310 G N 4.988 113.884 108.800 0.161 0.000 2.321 310 G HA2 0.278 4.238 3.960 -0.000 0.000 0.237 310 G HA3 0.278 4.238 3.960 -0.000 0.000 0.237 310 G C -1.734 173.178 174.900 0.019 0.000 1.282 310 G CA -0.005 45.158 45.100 0.104 0.000 0.886 310 G HN 0.695 nan 8.290 nan 0.000 0.528 311 P HA -0.148 nan 4.420 nan 0.000 0.216 311 P C 1.631 178.864 177.300 -0.112 0.000 1.150 311 P CA 1.113 64.252 63.100 0.066 0.000 0.837 311 P CB 0.189 32.066 31.700 0.295 0.000 0.786 312 Q N -1.386 118.069 119.800 -0.575 0.000 2.224 312 Q HA -0.210 4.130 4.340 -0.000 0.000 0.203 312 Q C 2.000 177.832 176.000 -0.280 0.000 0.970 312 Q CA 1.210 56.541 55.803 -0.787 0.000 0.865 312 Q CB -0.276 27.696 28.738 -1.276 0.000 0.922 312 Q HN 0.363 nan 8.270 nan 0.000 0.445 313 H N -0.698 118.283 119.070 -0.149 0.000 2.363 313 H HA -0.001 4.555 4.556 -0.000 0.000 0.301 313 H C 1.961 177.106 175.328 -0.306 0.000 1.074 313 H CA 1.309 57.296 56.048 -0.101 0.000 1.354 313 H CB -0.126 29.532 29.762 -0.173 0.000 1.397 313 H HN 0.430 nan 8.280 nan 0.000 0.516 314 A N 0.854 123.478 122.820 -0.326 0.000 1.940 314 A HA -0.236 4.083 4.320 -0.000 0.000 0.219 314 A C 2.294 179.619 177.584 -0.433 0.000 1.176 314 A CA 1.611 53.225 52.037 -0.705 0.000 0.631 314 A CB -0.932 17.197 19.000 -1.453 0.000 0.814 314 A HN 0.467 nan 8.150 nan 0.000 0.446 315 Y N 0.421 120.640 120.300 -0.136 0.000 2.133 315 Y HA -0.104 4.446 4.550 -0.000 0.000 0.287 315 Y C 1.948 177.956 175.900 0.180 0.000 1.134 315 Y CA 1.719 59.979 58.100 0.267 0.000 1.133 315 Y CB -0.482 38.210 38.460 0.387 0.000 0.987 315 Y HN 0.190 nan 8.280 nan 0.000 0.502 316 L N 0.723 121.946 121.223 0.000 0.000 2.127 316 L HA -0.286 4.054 4.340 -0.000 0.000 0.211 316 L C 2.549 179.429 176.870 0.017 0.000 1.089 316 L CA 1.846 56.665 54.840 -0.035 0.000 0.757 316 L CB -0.747 41.416 42.059 0.172 0.000 0.899 316 L HN 0.462 nan 8.230 nan 0.000 0.434 317 N N -0.126 118.633 118.700 0.098 0.000 2.106 317 N HA -0.200 4.540 4.740 -0.000 0.000 0.188 317 N C 2.093 177.618 175.510 0.026 0.000 1.029 317 N CA 1.633 54.759 53.050 0.127 0.000 0.848 317 N CB 0.088 38.569 38.487 -0.010 0.000 1.007 317 N HN 0.354 nan 8.380 nan 0.000 0.423 318 S N 1.591 117.297 115.700 0.010 0.000 2.387 318 S HA -0.166 4.304 4.470 -0.000 0.000 0.230 318 S C 2.093 176.683 174.600 -0.017 0.000 1.035 318 S CA 1.374 59.610 58.200 0.060 0.000 1.014 318 S CB -0.904 62.439 63.200 0.238 0.000 0.836 318 S HN 0.594 nan 8.310 nan 0.000 0.466 319 I N -2.411 118.075 120.570 -0.140 0.000 3.793 319 I HA 0.513 4.683 4.170 -0.000 0.000 0.315 319 I C 1.479 177.550 176.117 -0.076 0.000 1.275 319 I CA 0.235 61.454 61.300 -0.136 0.000 1.214 319 I CB -0.721 37.117 38.000 -0.271 0.000 1.018 319 I HN 0.408 nan 8.210 nan 0.000 0.439 320 G N 2.518 111.289 108.800 -0.049 0.000 2.148 320 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.254 320 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.254 320 G C 0.957 175.833 174.900 -0.042 0.000 0.981 320 G CA 0.649 45.733 45.100 -0.027 0.000 0.670 320 G HN 0.519 nan 8.290 nan 0.000 0.528 321 R N 0.546 121.013 120.500 -0.056 0.000 2.119 321 R HA 0.559 4.898 4.340 -0.000 0.000 0.222 321 R C 1.330 177.570 176.300 -0.101 0.000 1.088 321 R CA 2.165 58.227 56.100 -0.062 0.000 0.984 321 R CB -0.198 30.074 30.300 -0.047 0.000 0.884 321 R HN 1.168 nan 8.270 nan 0.000 0.447 322 A N -0.172 122.605 122.820 -0.072 0.000 2.413 322 A HA 0.594 4.914 4.320 -0.000 0.000 0.307 322 A C -1.562 175.929 177.584 -0.155 0.000 1.087 322 A CA -0.887 51.033 52.037 -0.194 0.000 0.750 322 A CB 1.265 20.163 19.000 -0.169 0.000 1.296 322 A HN 0.250 nan 8.150 nan 0.000 0.423 323 D N 0.235 120.427 120.400 -0.347 0.000 2.350 323 D HA 0.550 5.190 4.640 -0.000 0.000 0.245 323 D C -1.539 174.469 176.300 -0.487 0.000 1.036 323 D CA 0.426 54.289 54.000 -0.229 0.000 0.848 323 D CB 1.512 42.223 40.800 -0.149 0.000 1.307 323 D HN 0.401 nan 8.370 nan 0.000 0.469 324 Y N -0.042 120.223 120.300 -0.059 0.000 2.409 324 Y HA 0.462 5.012 4.550 -0.000 0.000 0.343 324 Y C 0.499 176.337 175.900 -0.104 0.000 0.973 324 Y CA -0.874 57.182 58.100 -0.072 0.000 1.064 324 Y CB 1.877 40.302 38.460 -0.059 0.000 1.207 324 Y HN 0.142 nan 8.280 nan 0.000 0.452 325 V N -1.177 118.717 119.914 -0.033 0.000 3.156 325 V HA 0.954 5.074 4.120 -0.000 0.000 0.310 325 V C -0.600 175.492 176.094 -0.004 0.000 1.234 325 V CA -1.090 61.171 62.300 -0.065 0.000 1.065 325 V CB 1.680 33.341 31.823 -0.271 0.000 1.088 325 V HN 0.750 nan 8.190 nan 0.000 0.451 326 S N 0.467 116.192 115.700 0.040 0.000 2.599 326 S HA 0.887 5.357 4.470 -0.000 0.000 0.287 326 S C -1.148 173.516 174.600 0.106 0.000 1.105 326 S CA -0.742 57.507 58.200 0.081 0.000 0.899 326 S CB 2.001 65.255 63.200 0.090 0.000 1.100 326 S HN 0.873 nan 8.310 nan 0.000 0.482 327 I N 2.438 123.101 120.570 0.154 0.000 2.569 327 I HA 0.364 4.534 4.170 -0.000 0.000 0.290 327 I C 0.637 176.837 176.117 0.139 0.000 1.088 327 I CA -0.172 61.212 61.300 0.141 0.000 1.047 327 I CB 2.088 40.170 38.000 0.137 0.000 1.237 327 I HN 1.074 nan 8.210 nan 0.000 0.421 328 T N 0.734 115.329 114.554 0.067 0.000 2.788 328 T HA 0.193 4.542 4.350 -0.000 0.000 0.287 328 T C 0.904 175.610 174.700 0.009 0.000 1.007 328 T CA -0.352 61.790 62.100 0.070 0.000 1.005 328 T CB 1.229 70.139 68.868 0.071 0.000 1.012 328 T HN 0.448 nan 8.240 nan 0.000 0.530 329 D N 0.650 121.082 120.400 0.053 0.000 2.106 329 D HA -0.114 4.526 4.640 -0.000 0.000 0.191 329 D C 1.746 178.037 176.300 -0.015 0.000 0.997 329 D CA 1.507 55.521 54.000 0.023 0.000 0.834 329 D CB -0.383 40.472 40.800 0.092 0.000 0.956 329 D HN 0.631 nan 8.370 nan 0.000 0.448 330 D N 0.386 120.802 120.400 0.027 0.000 2.144 330 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 330 D C 1.965 178.257 176.300 -0.013 0.000 0.984 330 D CA 0.737 54.746 54.000 0.015 0.000 0.834 330 D CB -0.220 40.602 40.800 0.037 0.000 0.955 330 D HN 0.417 nan 8.370 nan 0.000 0.465 331 E N 0.437 120.620 120.200 -0.027 0.000 2.106 331 E HA -0.083 4.266 4.350 -0.000 0.000 0.192 331 E C 2.085 178.635 176.600 -0.083 0.000 0.984 331 E CA 0.905 57.282 56.400 -0.037 0.000 0.806 331 E CB -0.006 29.681 29.700 -0.022 0.000 0.750 331 E HN 0.192 nan 8.360 nan 0.000 0.458 332 A N 1.161 123.860 122.820 -0.201 0.000 1.898 332 A HA -0.133 4.186 4.320 -0.000 0.000 0.216 332 A C 2.180 179.719 177.584 -0.075 0.000 1.181 332 A CA 0.907 52.774 52.037 -0.283 0.000 0.620 332 A CB -0.590 17.967 19.000 -0.739 0.000 0.819 332 A HN 0.125 nan 8.150 nan 0.000 0.442 333 L N -0.583 120.603 121.223 -0.062 0.000 2.042 333 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 333 L C 2.777 179.692 176.870 0.075 0.000 1.076 333 L CA 1.675 56.506 54.840 -0.015 0.000 0.749 333 L CB -0.427 41.608 42.059 -0.041 0.000 0.893 333 L HN 0.495 nan 8.230 nan 0.000 0.432 334 E N 0.575 120.802 120.200 0.045 0.000 2.077 334 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 334 E C 2.131 178.781 176.600 0.083 0.000 0.989 334 E CA 1.436 57.872 56.400 0.060 0.000 0.800 334 E CB 0.105 29.823 29.700 0.031 0.000 0.746 334 E HN 0.438 nan 8.360 nan 0.000 0.452 335 A N 0.510 123.371 122.820 0.069 0.000 1.930 335 A HA -0.151 4.168 4.320 -0.000 0.000 0.217 335 A C 2.073 179.721 177.584 0.107 0.000 1.175 335 A CA 1.175 53.252 52.037 0.067 0.000 0.627 335 A CB -0.878 18.146 19.000 0.040 0.000 0.815 335 A HN 0.410 nan 8.150 nan 0.000 0.443 336 F N 0.992 120.935 119.950 -0.011 0.000 2.069 336 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 336 F C 2.132 177.933 175.800 0.001 0.000 1.113 336 F CA 2.285 60.284 58.000 -0.002 0.000 1.214 336 F CB -0.250 38.747 39.000 -0.005 0.000 0.978 336 F HN 0.130 nan 8.300 nan 0.000 0.474 337 K N -0.536 120.060 120.400 0.326 0.000 2.057 337 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 337 K C 1.981 178.610 176.600 0.049 0.000 1.049 337 K CA 1.971 58.367 56.287 0.181 0.000 0.931 337 K CB -0.641 31.955 32.500 0.161 0.000 0.714 337 K HN 0.268 nan 8.250 nan 0.000 0.440 338 T N 1.746 116.347 114.554 0.078 0.000 2.708 338 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 338 T C 1.732 176.490 174.700 0.096 0.000 1.037 338 T CA 0.995 63.175 62.100 0.134 0.000 1.146 338 T CB -0.182 68.761 68.868 0.124 0.000 0.865 338 T HN 0.065 nan 8.240 nan 0.000 0.435 339 L N 0.682 121.903 121.223 -0.005 0.000 2.093 339 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 339 L C 2.523 179.328 176.870 -0.108 0.000 1.085 339 L CA 1.432 56.242 54.840 -0.050 0.000 0.755 339 L CB -0.772 41.230 42.059 -0.097 0.000 0.904 339 L HN 0.322 nan 8.230 nan 0.000 0.435 340 C N -0.724 118.460 119.300 -0.193 0.000 2.413 340 C HA -0.176 4.284 4.460 -0.000 0.000 0.277 340 C C 2.918 177.818 174.990 -0.150 0.000 1.228 340 C CA 1.222 60.117 59.018 -0.205 0.000 1.731 340 C CB -0.989 26.607 27.740 -0.240 0.000 2.042 340 C HN 0.537 nan 8.230 nan 0.000 0.468 341 R N -0.628 119.769 120.500 -0.171 0.000 2.115 341 R HA -0.066 4.274 4.340 -0.000 0.000 0.226 341 R C 1.965 178.033 176.300 -0.386 0.000 1.100 341 R CA 1.135 57.063 56.100 -0.287 0.000 0.980 341 R CB -0.195 29.874 30.300 -0.384 0.000 0.875 341 R HN 0.676 nan 8.270 nan 0.000 0.445 342 H N -1.185 117.855 119.070 -0.050 0.000 2.595 342 H HA 0.155 4.711 4.556 -0.000 0.000 0.265 342 H C 0.802 176.099 175.328 -0.051 0.000 0.953 342 H CA 0.445 56.465 56.048 -0.046 0.000 1.197 342 H CB 1.005 30.741 29.762 -0.043 0.000 1.438 342 H HN 0.183 nan 8.280 nan 0.000 0.531 343 E N -0.417 119.797 120.200 0.025 0.000 2.606 343 E HA 0.144 4.494 4.350 -0.000 0.000 0.224 343 E C 1.080 177.658 176.600 -0.037 0.000 0.930 343 E CA 0.415 56.811 56.400 -0.007 0.000 1.125 343 E CB 1.251 30.942 29.700 -0.013 0.000 1.123 343 E HN 0.443 nan 8.360 nan 0.000 0.522 344 G N 2.306 111.070 108.800 -0.060 0.000 2.221 344 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.265 344 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.265 344 G C 0.167 175.022 174.900 -0.075 0.000 1.041 344 G CA 0.517 45.576 45.100 -0.069 0.000 0.807 344 G HN 0.238 nan 8.290 nan 0.000 0.502 345 I N 0.292 120.804 120.570 -0.096 0.000 2.436 345 I HA 0.429 4.598 4.170 -0.000 0.000 0.289 345 I C 0.363 176.372 176.117 -0.181 0.000 1.010 345 I CA -1.077 60.161 61.300 -0.103 0.000 1.098 345 I CB 1.784 39.740 38.000 -0.073 0.000 1.266 345 I HN -0.056 nan 8.210 nan 0.000 0.434 346 I N 8.510 128.965 120.570 -0.191 0.000 2.291 346 I HA 0.279 4.448 4.170 -0.000 0.000 0.290 346 I C -2.143 173.834 176.117 -0.233 0.000 1.050 346 I CA -1.673 59.431 61.300 -0.327 0.000 1.245 346 I CB 0.812 38.679 38.000 -0.222 0.000 1.405 346 I HN 0.238 nan 8.210 nan 0.000 0.478 347 P HA 0.262 nan 4.420 nan 0.000 0.284 347 P C -0.544 176.822 177.300 0.109 0.000 1.258 347 P CA -0.427 62.632 63.100 -0.067 0.000 0.824 347 P CB 1.495 33.163 31.700 -0.054 0.000 1.038 348 A N 2.766 125.668 122.820 0.137 0.000 2.445 348 A HA 0.110 4.429 4.320 -0.000 0.000 0.242 348 A C 1.695 179.427 177.584 0.246 0.000 1.075 348 A CA -0.300 51.849 52.037 0.188 0.000 0.777 348 A CB -0.627 18.451 19.000 0.129 0.000 1.013 348 A HN 0.646 nan 8.150 nan 0.000 0.493 349 L N 0.774 122.142 121.223 0.242 0.000 2.191 349 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 349 L C 2.261 179.294 176.870 0.272 0.000 1.103 349 L CA 1.469 56.442 54.840 0.222 0.000 0.769 349 L CB -0.395 41.721 42.059 0.095 0.000 0.908 349 L HN 0.859 nan 8.230 nan 0.000 0.438 350 E N -0.188 120.120 120.200 0.181 0.000 2.017 350 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 350 E C 2.289 178.992 176.600 0.172 0.000 0.997 350 E CA 1.661 58.133 56.400 0.119 0.000 0.804 350 E CB -0.220 29.510 29.700 0.050 0.000 0.757 350 E HN 0.277 nan 8.360 nan 0.000 0.448 351 S N 0.476 116.258 115.700 0.136 0.000 2.400 351 S HA -0.145 4.325 4.470 -0.000 0.000 0.232 351 S C 2.042 176.726 174.600 0.140 0.000 1.025 351 S CA 1.060 59.325 58.200 0.109 0.000 0.993 351 S CB -0.295 62.954 63.200 0.082 0.000 0.808 351 S HN 0.113 nan 8.310 nan 0.000 0.478 352 S N 0.895 116.703 115.700 0.180 0.000 2.419 352 S HA -0.134 4.336 4.470 -0.000 0.000 0.235 352 S C 1.536 176.187 174.600 0.084 0.000 1.019 352 S CA 1.156 59.440 58.200 0.140 0.000 0.982 352 S CB -0.344 62.969 63.200 0.188 0.000 0.789 352 S HN 0.600 nan 8.310 nan 0.000 0.490 353 H N 1.337 120.444 119.070 0.062 0.000 2.357 353 H HA 0.143 4.699 4.556 -0.000 0.000 0.301 353 H C 2.330 177.698 175.328 0.067 0.000 1.082 353 H CA 1.317 57.397 56.048 0.054 0.000 1.342 353 H CB -0.466 29.313 29.762 0.029 0.000 1.389 353 H HN 0.406 nan 8.280 nan 0.000 0.511 354 A N 0.585 123.511 122.820 0.177 0.000 1.873 354 A HA -0.120 4.199 4.320 -0.000 0.000 0.215 354 A C 2.268 179.922 177.584 0.117 0.000 1.186 354 A CA 1.448 53.562 52.037 0.129 0.000 0.616 354 A CB -0.802 18.247 19.000 0.082 0.000 0.823 354 A HN 0.342 nan 8.150 nan 0.000 0.442 355 L N -0.040 121.235 121.223 0.087 0.000 2.042 355 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 355 L C 2.649 179.546 176.870 0.046 0.000 1.076 355 L CA 2.243 57.117 54.840 0.056 0.000 0.749 355 L CB -0.848 41.236 42.059 0.042 0.000 0.893 355 L HN 0.357 nan 8.230 nan 0.000 0.432 356 A N -1.357 121.493 122.820 0.051 0.000 1.908 356 A HA -0.329 3.991 4.320 -0.000 0.000 0.218 356 A C 2.306 179.915 177.584 0.043 0.000 1.181 356 A CA 1.979 54.033 52.037 0.029 0.000 0.627 356 A CB -1.075 17.924 19.000 -0.001 0.000 0.818 356 A HN 0.730 nan 8.150 nan 0.000 0.445 357 H N -0.324 118.755 119.070 0.015 0.000 2.389 357 H HA 0.148 4.704 4.556 -0.000 0.000 0.299 357 H C 2.159 177.489 175.328 0.004 0.000 1.081 357 H CA 1.537 57.593 56.048 0.014 0.000 1.345 357 H CB -0.225 29.552 29.762 0.024 0.000 1.393 357 H HN 0.392 nan 8.280 nan 0.000 0.520 358 A N 0.323 123.130 122.820 -0.023 0.000 1.902 358 A HA -0.118 4.201 4.320 -0.000 0.000 0.217 358 A C 2.213 179.734 177.584 -0.105 0.000 1.181 358 A CA 1.493 53.493 52.037 -0.063 0.000 0.623 358 A CB -0.767 18.235 19.000 0.004 0.000 0.818 358 A HN 0.393 nan 8.150 nan 0.000 0.443 359 L N -0.051 121.127 121.223 -0.075 0.000 2.083 359 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 359 L C 2.379 179.188 176.870 -0.102 0.000 1.083 359 L CA 2.260 57.056 54.840 -0.073 0.000 0.752 359 L CB -0.732 41.301 42.059 -0.044 0.000 0.899 359 L HN 0.523 nan 8.230 nan 0.000 0.433 360 K N -0.981 119.332 120.400 -0.146 0.000 2.057 360 K HA -0.159 4.160 4.320 -0.000 0.000 0.206 360 K C 2.123 178.607 176.600 -0.193 0.000 1.050 360 K CA 1.270 57.459 56.287 -0.163 0.000 0.935 360 K CB -0.056 32.330 32.500 -0.191 0.000 0.715 360 K HN 0.189 nan 8.250 nan 0.000 0.439 361 M N 0.475 119.906 119.600 -0.282 0.000 2.108 361 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 361 M C 2.415 178.645 176.300 -0.117 0.000 1.066 361 M CA 1.713 56.890 55.300 -0.205 0.000 1.107 361 M CB -0.210 32.267 32.600 -0.204 0.000 1.356 361 M HN 0.328 nan 8.290 nan 0.000 0.406 362 M N 0.148 119.685 119.600 -0.106 0.000 2.077 362 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 362 M C 2.117 178.376 176.300 -0.068 0.000 1.070 362 M CA 1.843 57.097 55.300 -0.076 0.000 1.125 362 M CB -0.123 32.433 32.600 -0.073 0.000 1.339 362 M HN 0.074 nan 8.290 nan 0.000 0.409 363 R N 0.124 120.581 120.500 -0.071 0.000 2.092 363 R HA -0.104 4.236 4.340 -0.000 0.000 0.231 363 R C 1.976 178.246 176.300 -0.049 0.000 1.119 363 R CA 1.742 57.807 56.100 -0.057 0.000 0.970 363 R CB -0.324 29.944 30.300 -0.054 0.000 0.864 363 R HN 0.585 nan 8.270 nan 0.000 0.440 364 E N 0.467 120.634 120.200 -0.055 0.000 2.152 364 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 364 E C 0.257 176.835 176.600 -0.036 0.000 0.983 364 E CA 0.799 57.173 56.400 -0.042 0.000 0.818 364 E CB 0.245 29.919 29.700 -0.045 0.000 0.758 364 E HN 0.386 nan 8.360 nan 0.000 0.467 365 Q N -0.321 119.454 119.800 -0.041 0.000 3.300 365 Q HA 0.150 4.490 4.340 -0.000 0.000 0.271 365 Q C -2.289 173.690 176.000 -0.036 0.000 0.926 365 Q CA -1.370 54.413 55.803 -0.034 0.000 0.788 365 Q CB 1.491 30.210 28.738 -0.031 0.000 1.385 365 Q HN 0.018 nan 8.270 nan 0.000 0.424 366 P HA -0.200 nan 4.420 nan 0.000 0.218 366 P C 0.648 177.930 177.300 -0.031 0.000 1.146 366 P CA 1.284 64.362 63.100 -0.036 0.000 0.813 366 P CB 0.391 32.071 31.700 -0.034 0.000 0.778 367 E N -0.926 119.258 120.200 -0.026 0.000 2.474 367 E HA 0.040 4.390 4.350 -0.000 0.000 0.195 367 E C 0.549 177.136 176.600 -0.020 0.000 1.039 367 E CA 0.032 56.419 56.400 -0.022 0.000 0.881 367 E CB -0.143 29.546 29.700 -0.018 0.000 0.970 367 E HN 0.332 nan 8.360 nan 0.000 0.486 368 K N 2.162 122.549 120.400 -0.023 0.000 2.312 368 K HA 0.047 4.367 4.320 -0.000 0.000 0.287 368 K C -0.112 176.475 176.600 -0.021 0.000 1.062 368 K CA -0.143 56.131 56.287 -0.021 0.000 0.934 368 K CB 0.584 33.069 32.500 -0.024 0.000 1.027 368 K HN -0.144 nan 8.250 nan 0.000 0.478 369 E N 4.950 125.140 120.200 -0.017 0.000 2.217 369 E HA -0.024 4.326 4.350 -0.000 0.000 0.279 369 E C -1.148 175.444 176.600 -0.013 0.000 1.068 369 E CA -0.139 56.253 56.400 -0.014 0.000 0.882 369 E CB 0.534 30.229 29.700 -0.009 0.000 1.039 369 E HN 0.605 nan 8.360 nan 0.000 0.418 370 Q N 3.731 123.523 119.800 -0.013 0.000 2.320 370 Q HA 0.361 4.701 4.340 -0.000 0.000 0.272 370 Q C -1.663 174.337 176.000 -0.000 0.000 1.023 370 Q CA -1.085 54.711 55.803 -0.012 0.000 0.855 370 Q CB 1.252 29.977 28.738 -0.022 0.000 1.367 370 Q HN 0.458 nan 8.270 nan 0.000 0.406 371 L N 3.663 124.890 121.223 0.007 0.000 2.277 371 L HA 0.517 4.857 4.340 -0.000 0.000 0.284 371 L C -1.766 175.118 176.870 0.023 0.000 1.028 371 L CA -0.343 54.520 54.840 0.038 0.000 0.835 371 L CB 0.882 42.967 42.059 0.042 0.000 1.215 371 L HN 0.718 nan 8.230 nan 0.000 0.425 372 L N 5.464 126.715 121.223 0.045 0.000 2.342 372 L HA 0.728 5.068 4.340 -0.000 0.000 0.271 372 L C -0.804 176.110 176.870 0.074 0.000 1.008 372 L CA -1.070 53.786 54.840 0.027 0.000 0.818 372 L CB 2.134 44.200 42.059 0.012 0.000 1.296 372 L HN 0.214 nan 8.230 nan 0.000 0.427 373 V N 2.970 122.906 119.914 0.037 0.000 2.483 373 V HA 0.410 4.530 4.120 -0.000 0.000 0.297 373 V C -0.215 175.915 176.094 0.060 0.000 1.027 373 V CA -0.618 61.723 62.300 0.069 0.000 0.855 373 V CB 2.339 34.174 31.823 0.020 0.000 0.995 373 V HN 0.425 nan 8.190 nan 0.000 0.424 374 V N 4.422 124.381 119.914 0.075 0.000 2.435 374 V HA 0.340 4.460 4.120 -0.000 0.000 0.290 374 V C 0.376 176.509 176.094 0.064 0.000 1.030 374 V CA -0.628 61.712 62.300 0.067 0.000 0.881 374 V CB 1.736 33.594 31.823 0.057 0.000 0.983 374 V HN 0.923 nan 8.190 nan 0.000 0.445 375 N N 3.843 122.574 118.700 0.051 0.000 2.402 375 N HA 0.175 4.915 4.740 -0.000 0.000 0.252 375 N C -0.596 174.925 175.510 0.019 0.000 1.118 375 N CA -0.698 52.371 53.050 0.031 0.000 0.945 375 N CB 0.616 39.096 38.487 -0.011 0.000 1.147 375 N HN 0.496 nan 8.380 nan 0.000 0.495 376 L N 4.859 126.102 121.223 0.034 0.000 2.387 376 L HA 0.091 4.430 4.340 -0.000 0.000 0.267 376 L C 1.589 178.482 176.870 0.037 0.000 1.197 376 L CA 0.169 55.030 54.840 0.035 0.000 1.070 376 L CB 0.011 42.091 42.059 0.036 0.000 1.349 376 L HN 0.585 nan 8.230 nan 0.000 0.422 377 S N 1.072 116.781 115.700 0.016 0.000 2.420 377 S HA 0.077 4.547 4.470 -0.000 0.000 0.237 377 S C 0.923 175.609 174.600 0.145 0.000 1.023 377 S CA 0.590 58.809 58.200 0.032 0.000 0.991 377 S CB -0.385 62.760 63.200 -0.093 0.000 0.792 377 S HN 0.696 nan 8.310 nan 0.000 0.488 378 G N 0.528 109.389 108.800 0.101 0.000 2.559 378 G HA2 0.548 4.508 3.960 -0.000 0.000 0.291 378 G HA3 0.548 4.508 3.960 -0.000 0.000 0.291 378 G C -1.441 173.499 174.900 0.067 0.000 1.424 378 G CA -1.267 43.890 45.100 0.094 0.000 0.786 378 G HN 0.470 nan 8.290 nan 0.000 0.485 379 R N -1.050 119.481 120.500 0.052 0.000 2.532 379 R HA 0.670 5.010 4.340 -0.000 0.000 0.272 379 R C 0.641 176.983 176.300 0.070 0.000 1.032 379 R CA -0.191 55.931 56.100 0.038 0.000 1.089 379 R CB 1.583 31.893 30.300 0.016 0.000 1.098 379 R HN 0.716 nan 8.270 nan 0.000 0.526 380 G N 0.257 109.105 108.800 0.080 0.000 3.502 380 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.267 380 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.267 380 G C 0.255 175.252 174.900 0.161 0.000 1.090 380 G CA -0.322 44.890 45.100 0.188 0.000 0.795 380 G HN 0.690 nan 8.290 nan 0.000 0.535 381 D N 1.877 122.319 120.400 0.070 0.000 2.190 381 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 381 D C 2.408 178.721 176.300 0.022 0.000 0.992 381 D CA 1.119 55.135 54.000 0.027 0.000 0.854 381 D CB 0.145 40.950 40.800 0.009 0.000 0.936 381 D HN 0.622 nan 8.370 nan 0.000 0.462 382 K N 0.489 120.929 120.400 0.067 0.000 2.362 382 K HA -0.087 4.233 4.320 -0.000 0.000 0.200 382 K C 0.763 177.424 176.600 0.102 0.000 1.046 382 K CA 1.068 57.411 56.287 0.093 0.000 0.952 382 K CB 0.207 32.762 32.500 0.091 0.000 0.753 382 K HN -0.036 nan 8.250 nan 0.000 0.466 383 D N 1.488 121.941 120.400 0.088 0.000 2.369 383 D HA 0.061 4.701 4.640 -0.000 0.000 0.211 383 D C 1.812 178.089 176.300 -0.038 0.000 1.077 383 D CA 0.168 54.192 54.000 0.041 0.000 0.842 383 D CB 0.191 41.003 40.800 0.019 0.000 0.947 383 D HN 0.442 nan 8.370 nan 0.000 0.509 384 I N -2.191 118.337 120.570 -0.069 0.000 2.264 384 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 384 I C 1.803 177.818 176.117 -0.169 0.000 1.111 384 I CA 1.254 62.468 61.300 -0.143 0.000 1.382 384 I CB -0.537 37.292 38.000 -0.284 0.000 1.060 384 I HN -0.263 nan 8.210 nan 0.000 0.418 385 F N 2.040 122.015 119.950 0.042 0.000 2.163 385 F HA -0.085 4.441 4.527 -0.000 0.000 0.297 385 F C 2.755 178.586 175.800 0.051 0.000 1.094 385 F CA 1.741 59.757 58.000 0.027 0.000 1.290 385 F CB -1.454 37.541 39.000 -0.008 0.000 1.017 385 F HN -0.001 nan 8.300 nan 0.000 0.483 386 T N 0.001 114.667 114.554 0.186 0.000 2.684 386 T HA -0.149 4.200 4.350 -0.000 0.000 0.267 386 T C 2.259 176.970 174.700 0.017 0.000 1.036 386 T CA 1.634 63.786 62.100 0.086 0.000 1.148 386 T CB -0.613 68.273 68.868 0.030 0.000 0.863 386 T HN 0.031 nan 8.240 nan 0.000 0.436 387 V N 1.222 121.084 119.914 -0.086 0.000 2.427 387 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 387 V C 2.371 178.452 176.094 -0.022 0.000 1.051 387 V CA 1.617 63.816 62.300 -0.168 0.000 1.048 387 V CB -0.729 30.835 31.823 -0.432 0.000 0.666 387 V HN 0.615 nan 8.190 nan 0.000 0.456 388 H N 0.718 119.771 119.070 -0.028 0.000 2.293 388 H HA -0.173 4.383 4.556 -0.000 0.000 0.300 388 H C 2.112 177.462 175.328 0.036 0.000 1.082 388 H CA 2.163 58.224 56.048 0.021 0.000 1.308 388 H CB -0.220 29.578 29.762 0.060 0.000 1.375 388 H HN 0.412 nan 8.280 nan 0.000 0.495 389 D N 0.633 121.200 120.400 0.278 0.000 2.123 389 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 389 D C 2.549 178.882 176.300 0.055 0.000 0.992 389 D CA 1.203 55.315 54.000 0.188 0.000 0.833 389 D CB -0.113 40.788 40.800 0.167 0.000 0.954 389 D HN 0.455 nan 8.370 nan 0.000 0.455 390 I N 0.916 121.505 120.570 0.032 0.000 2.142 390 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 390 I C 2.593 178.696 176.117 -0.022 0.000 1.078 390 I CA 0.789 62.094 61.300 0.008 0.000 1.343 390 I CB -0.276 37.725 38.000 0.001 0.000 1.046 390 I HN -0.028 nan 8.210 nan 0.000 0.405 391 L N 0.980 122.170 121.223 -0.056 0.000 2.012 391 L HA -0.288 4.052 4.340 -0.000 0.000 0.210 391 L C 3.148 179.964 176.870 -0.089 0.000 1.073 391 L CA 2.110 56.905 54.840 -0.074 0.000 0.748 391 L CB -1.152 40.849 42.059 -0.098 0.000 0.891 391 L HN 0.276 nan 8.230 nan 0.000 0.431 392 K N 0.446 120.764 120.400 -0.137 0.000 2.057 392 K HA -0.008 4.312 4.320 -0.000 0.000 0.207 392 K C 2.118 178.692 176.600 -0.044 0.000 1.049 392 K CA 1.374 57.595 56.287 -0.111 0.000 0.931 392 K CB -1.327 31.091 32.500 -0.137 0.000 0.714 392 K HN 0.429 nan 8.250 nan 0.000 0.440 393 A N 0.701 123.507 122.820 -0.023 0.000 2.259 393 A HA -0.054 4.266 4.320 -0.000 0.000 0.212 393 A C 2.087 179.666 177.584 -0.009 0.000 1.178 393 A CA 1.241 53.275 52.037 -0.006 0.000 0.734 393 A CB -0.291 18.714 19.000 0.007 0.000 0.774 393 A HN 0.561 nan 8.150 nan 0.000 0.481 394 R N -1.588 118.902 120.500 -0.017 0.000 2.437 394 R HA 0.344 4.683 4.340 -0.000 0.000 0.257 394 R C 0.972 177.263 176.300 -0.015 0.000 0.927 394 R CA 0.391 56.483 56.100 -0.014 0.000 1.078 394 R CB 0.335 30.628 30.300 -0.012 0.000 1.161 394 R HN 0.579 nan 8.270 nan 0.000 0.529 395 G N 0.639 109.427 108.800 -0.020 0.000 2.782 395 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.228 395 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.228 395 G C -0.480 174.409 174.900 -0.018 0.000 1.372 395 G CA -0.236 44.853 45.100 -0.017 0.000 0.862 395 G HN 0.475 nan 8.290 nan 0.000 0.547 396 E N 0.000 120.191 120.200 -0.014 0.000 2.725 396 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 396 E CA 0.000 nan 56.400 nan 0.000 0.976 396 E CB 0.000 nan 29.700 nan 0.000 0.812 396 E HN 0.000 nan 8.360 nan 0.000 0.440