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 3cvw_1_A DATA FIRST_RESID 4 DATA SEQUENCE QRSTLVHWFR KGLRLHDNPA LSHIFTAANA APGRYFVRPI FILDPGILDW DATA SEQUENCE MQVGANRWRF LQQTLEDLDN QLRKLNSRLF VVRGKPAEVF PRIFKSWRVE DATA SEQUENCE MLTFETDIEP YSVTRDAAVQ KLAKAEGVRV ETHCSHTIYN PELVIAKNLG DATA SEQUENCE KAPITYQKFL GIVEQLKVPK VLGVPEKLKN MPTPPKDEVE QKDSAAYDCP DATA SEQUENCE TMKQLVKRPE ELGPNKFPGG ETEALRRMEE SLKDEIWVAR FEKPNTAPNS DATA SEQUENCE LEPSTTVLSP YLKFGCLSAR LFNQKLKEII KRQPKHSQPP VSLIGQLMWR DATA SEQUENCE EFYYTVAAAE PNFDRMLGNV YCMQIPWQEH PDHLEAWTHG RTGYPFIDAI DATA SEQUENCE MRQLRQEGWI HNLARHAVAC FLTRGDLWIS WEEGQRVFEQ LLLDQDWALN DATA SEQUENCE AGNWMWLSAS AFFHQYFRVY SPVAFGKKTD PQGHYIRKYV PELSKYPAGC DATA SEQUENCE IYEPWKASLV DQRAYGCVLG TDYPHRIVKH EVVHKENIKR MGAAYKVNRE DATA SEQUENCE VR 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.053 176.000 0.089 0.000 1.003 4 Q CA 0.000 55.886 55.803 0.139 0.000 1.022 4 Q CB 0.000 28.783 28.738 0.075 0.000 1.108 5 R N -1.042 119.549 120.500 0.151 0.000 2.766 5 R HA 0.853 5.183 4.340 -0.016 0.000 0.270 5 R C -0.523 175.851 176.300 0.123 0.000 1.035 5 R CA -0.777 55.339 56.100 0.025 0.000 0.911 5 R CB 0.538 30.730 30.300 -0.180 0.000 1.243 5 R HN 0.315 nan 8.270 nan 0.000 0.460 6 S N -0.213 115.500 115.700 0.022 0.000 2.624 6 S HA 0.383 4.843 4.470 -0.016 0.000 0.263 6 S C -0.222 174.541 174.600 0.271 0.000 1.287 6 S CA -0.343 57.940 58.200 0.137 0.000 0.990 6 S CB 1.375 64.635 63.200 0.101 0.000 0.950 6 S HN 0.520 nan 8.310 nan 0.000 0.561 7 T N 1.554 116.307 114.554 0.332 0.000 2.848 7 T HA 0.501 4.841 4.350 -0.016 0.000 0.285 7 T C -0.510 174.374 174.700 0.306 0.000 0.995 7 T CA -0.580 61.722 62.100 0.338 0.000 0.970 7 T CB 0.684 69.718 68.868 0.276 0.000 0.976 7 T HN 0.545 nan 8.240 nan 0.000 0.441 8 L N 2.826 124.186 121.223 0.229 0.000 2.325 8 L HA 0.767 5.098 4.340 -0.016 0.000 0.279 8 L C -0.549 176.417 176.870 0.160 0.000 1.054 8 L CA -0.974 53.951 54.840 0.142 0.000 0.804 8 L CB 1.358 43.407 42.059 -0.016 0.000 1.200 8 L HN 0.283 nan 8.230 nan 0.000 0.436 9 V N 1.135 121.179 119.914 0.217 0.000 2.577 9 V HA 0.272 4.382 4.120 -0.016 0.000 0.303 9 V C -0.977 175.305 176.094 0.313 0.000 1.042 9 V CA -0.647 61.808 62.300 0.257 0.000 0.872 9 V CB 1.827 33.837 31.823 0.311 0.000 0.998 9 V HN 0.686 nan 8.190 nan 0.000 0.423 10 H N 3.906 123.102 119.070 0.209 0.000 2.459 10 H HA 0.501 5.047 4.556 -0.016 0.000 0.332 10 H C -1.419 174.029 175.328 0.200 0.000 1.094 10 H CA -0.455 55.685 56.048 0.153 0.000 1.224 10 H CB 1.105 30.868 29.762 0.003 0.000 1.449 10 H HN 0.678 nan 8.280 nan 0.000 0.484 11 W N 7.891 128.868 121.300 -0.539 0.000 2.318 11 W HA 0.323 4.974 4.660 -0.016 0.000 0.315 11 W C -1.757 174.511 176.519 -0.418 0.000 1.033 11 W CA -1.771 55.414 57.345 -0.266 0.000 1.275 11 W CB -0.031 29.433 29.460 0.006 0.000 1.250 11 W HN 0.487 nan 8.180 nan 0.000 0.421 12 F N 6.543 126.564 119.950 0.119 0.000 2.412 12 F HA 0.364 4.882 4.527 -0.015 0.000 0.348 12 F C 1.041 176.798 175.800 -0.072 0.000 1.102 12 F CA 0.008 58.099 58.000 0.151 0.000 1.196 12 F CB 1.024 40.334 39.000 0.518 0.000 1.144 12 F HN 0.348 nan 8.300 nan 0.000 0.541 13 R N 0.979 121.537 120.500 0.096 0.000 4.650 13 R HA 0.279 4.610 4.340 -0.016 0.000 0.128 13 R C -0.346 176.125 176.300 0.286 0.000 1.329 13 R CA -0.418 55.693 56.100 0.019 0.000 0.975 13 R CB 0.013 30.084 30.300 -0.381 0.000 1.371 13 R HN 0.334 nan 8.270 nan 0.000 0.424 14 K N 0.207 120.690 120.400 0.138 0.000 2.148 14 K HA 0.503 4.813 4.320 -0.016 0.000 0.239 14 K C -0.189 176.579 176.600 0.280 0.000 1.018 14 K CA 0.024 56.420 56.287 0.182 0.000 0.923 14 K CB 1.165 33.617 32.500 -0.080 0.000 1.117 14 K HN 0.477 nan 8.250 nan 0.000 0.477 15 G N 1.324 110.322 108.800 0.331 0.000 2.417 15 G HA2 -0.213 3.738 3.960 -0.016 0.000 0.291 15 G HA3 -0.213 3.738 3.960 -0.016 0.000 0.291 15 G C -0.323 174.833 174.900 0.426 0.000 1.094 15 G CA -0.328 44.974 45.100 0.336 0.000 1.146 15 G HN 0.402 nan 8.290 nan 0.000 0.519 16 L N 1.267 122.683 121.223 0.321 0.000 2.536 16 L HA 0.465 4.795 4.340 -0.016 0.000 0.242 16 L C 1.220 178.127 176.870 0.062 0.000 1.280 16 L CA -0.235 54.696 54.840 0.151 0.000 1.221 16 L CB -0.288 41.794 42.059 0.038 0.000 1.449 16 L HN 0.666 nan 8.230 nan 0.000 0.405 17 R N -0.255 120.317 120.500 0.119 0.000 2.734 17 R HA 0.543 4.873 4.340 -0.016 0.000 0.271 17 R C -0.358 175.957 176.300 0.024 0.000 1.021 17 R CA -1.003 55.103 56.100 0.009 0.000 0.893 17 R CB 1.246 31.440 30.300 -0.177 0.000 1.244 17 R HN 0.031 nan 8.270 nan 0.000 0.464 18 L N 0.134 121.345 121.223 -0.020 0.000 2.286 18 L HA 0.141 4.471 4.340 -0.016 0.000 0.203 18 L C 1.036 177.862 176.870 -0.073 0.000 1.068 18 L CA -0.092 54.719 54.840 -0.048 0.000 0.811 18 L CB -0.358 41.673 42.059 -0.046 0.000 0.989 18 L HN 0.682 nan 8.230 nan 0.000 0.467 19 H N 0.261 119.316 119.070 -0.024 0.000 2.815 19 H HA -0.052 4.495 4.556 -0.016 0.000 0.350 19 H C -0.349 174.976 175.328 -0.005 0.000 1.080 19 H CA 0.055 56.089 56.048 -0.022 0.000 1.433 19 H CB 0.472 30.227 29.762 -0.012 0.000 1.432 19 H HN 0.124 nan 8.280 nan 0.000 0.592 20 D N 1.188 121.601 120.400 0.021 0.000 2.704 20 D HA -0.240 4.391 4.640 -0.016 0.000 0.232 20 D C -0.828 175.420 176.300 -0.086 0.000 1.183 20 D CA 0.704 54.694 54.000 -0.016 0.000 0.647 20 D CB -1.230 39.607 40.800 0.062 0.000 1.013 20 D HN 0.697 nan 8.370 nan 0.000 0.415 21 N N 0.519 119.156 118.700 -0.105 0.000 2.776 21 N HA 0.262 4.992 4.740 -0.016 0.000 0.245 21 N C -1.912 173.497 175.510 -0.169 0.000 1.121 21 N CA -1.872 51.110 53.050 -0.114 0.000 0.852 21 N CB 1.352 39.770 38.487 -0.116 0.000 1.142 21 N HN 0.023 nan 8.380 nan 0.000 0.514 22 P HA -0.077 nan 4.420 nan 0.000 0.220 22 P C 0.921 177.811 177.300 -0.683 0.000 1.148 22 P CA 0.731 63.626 63.100 -0.341 0.000 0.803 22 P CB 0.408 31.956 31.700 -0.254 0.000 0.782 23 A N -0.345 122.144 122.820 -0.550 0.000 1.969 23 A HA -0.111 4.199 4.320 -0.016 0.000 0.218 23 A C 2.168 179.670 177.584 -0.136 0.000 1.169 23 A CA 1.215 53.080 52.037 -0.287 0.000 0.635 23 A CB -1.404 17.673 19.000 0.129 0.000 0.810 23 A HN 0.190 nan 8.150 nan 0.000 0.445 24 L N -0.753 120.228 121.223 -0.404 0.000 2.127 24 L HA 0.064 4.395 4.340 -0.016 0.000 0.203 24 L C 2.404 179.213 176.870 -0.102 0.000 1.080 24 L CA 2.221 56.746 54.840 -0.525 0.000 0.768 24 L CB -0.480 41.150 42.059 -0.714 0.000 0.924 24 L HN 0.222 nan 8.230 nan 0.000 0.444 25 S N -1.355 114.268 115.700 -0.128 0.000 2.402 25 S HA -0.235 4.225 4.470 -0.016 0.000 0.229 25 S C 1.905 176.539 174.600 0.058 0.000 1.021 25 S CA 1.345 59.524 58.200 -0.035 0.000 0.974 25 S CB -0.572 62.583 63.200 -0.074 0.000 0.800 25 S HN 0.688 nan 8.310 nan 0.000 0.484 26 H N 1.094 120.129 119.070 -0.059 0.000 2.421 26 H HA 0.034 4.580 4.556 -0.016 0.000 0.298 26 H C 1.820 177.168 175.328 0.033 0.000 1.087 26 H CA 1.392 57.437 56.048 -0.006 0.000 1.330 26 H CB -0.039 29.726 29.762 0.005 0.000 1.388 26 H HN 0.229 nan 8.280 nan 0.000 0.526 27 I N -0.419 120.255 120.570 0.174 0.000 2.163 27 I HA -0.236 3.925 4.170 -0.016 0.000 0.240 27 I C 1.753 177.882 176.117 0.020 0.000 1.081 27 I CA 1.171 62.534 61.300 0.105 0.000 1.353 27 I CB -1.140 36.968 38.000 0.180 0.000 1.054 27 I HN 0.265 nan 8.210 nan 0.000 0.407 28 F N 1.703 121.622 119.950 -0.051 0.000 2.186 28 F HA -0.191 4.326 4.527 -0.016 0.000 0.299 28 F C 2.828 178.589 175.800 -0.066 0.000 1.090 28 F CA 1.900 59.874 58.000 -0.043 0.000 1.307 28 F CB -1.007 37.977 39.000 -0.027 0.000 1.019 28 F HN 0.173 nan 8.300 nan 0.000 0.489 29 T N -2.367 112.231 114.554 0.073 0.000 2.857 29 T HA -0.053 4.288 4.350 -0.016 0.000 0.266 29 T C 2.192 176.836 174.700 -0.093 0.000 1.048 29 T CA 0.896 62.985 62.100 -0.019 0.000 1.139 29 T CB -0.836 67.997 68.868 -0.058 0.000 0.874 29 T HN 0.164 nan 8.240 nan 0.000 0.455 30 A N 1.873 124.590 122.820 -0.173 0.000 1.898 30 A HA 0.422 4.732 4.320 -0.016 0.000 0.216 30 A C 2.787 180.242 177.584 -0.216 0.000 1.181 30 A CA 1.617 53.522 52.037 -0.221 0.000 0.620 30 A CB -1.319 17.501 19.000 -0.299 0.000 0.819 30 A HN 0.686 nan 8.150 nan 0.000 0.442 31 A N 0.129 122.814 122.820 -0.226 0.000 1.898 31 A HA -0.160 4.150 4.320 -0.016 0.000 0.216 31 A C 1.861 179.405 177.584 -0.067 0.000 1.181 31 A CA 1.663 53.587 52.037 -0.187 0.000 0.620 31 A CB -0.516 18.345 19.000 -0.231 0.000 0.819 31 A HN 0.512 nan 8.150 nan 0.000 0.442 32 N N 0.034 118.700 118.700 -0.057 0.000 2.457 32 N HA 0.047 4.777 4.740 -0.016 0.000 0.180 32 N C 1.696 177.202 175.510 -0.006 0.000 1.050 32 N CA 1.027 54.068 53.050 -0.015 0.000 0.906 32 N CB -0.254 38.240 38.487 0.012 0.000 0.968 32 N HN 0.475 nan 8.380 nan 0.000 0.445 33 A N 0.479 123.287 122.820 -0.020 0.000 1.930 33 A HA 0.208 4.518 4.320 -0.016 0.000 0.217 33 A C 1.195 178.791 177.584 0.019 0.000 1.175 33 A CA 1.295 53.327 52.037 -0.009 0.000 0.627 33 A CB -0.072 18.910 19.000 -0.030 0.000 0.815 33 A HN 0.204 nan 8.150 nan 0.000 0.443 34 A N 0.446 123.297 122.820 0.051 0.000 2.938 34 A HA 0.613 4.923 4.320 -0.016 0.000 0.344 34 A C -2.921 174.711 177.584 0.080 0.000 1.142 34 A CA -1.514 50.576 52.037 0.088 0.000 0.841 34 A CB 0.063 19.171 19.000 0.179 0.000 1.083 34 A HN 0.170 nan 8.150 nan 0.000 0.479 35 P HA 0.353 nan 4.420 nan 0.000 0.271 35 P C 1.079 178.362 177.300 -0.028 0.000 1.220 35 P CA 1.506 64.607 63.100 0.001 0.000 0.768 35 P CB 1.010 32.707 31.700 -0.004 0.000 0.848 36 G N 2.712 111.474 108.800 -0.064 0.000 2.143 36 G HA2 -0.308 3.642 3.960 -0.016 0.000 0.249 36 G HA3 -0.308 3.642 3.960 -0.016 0.000 0.249 36 G C 0.989 175.780 174.900 -0.182 0.000 0.981 36 G CA 0.253 45.279 45.100 -0.122 0.000 0.665 36 G HN 0.612 nan 8.290 nan 0.000 0.528 37 R N -1.343 119.053 120.500 -0.173 0.000 2.335 37 R HA 0.441 4.771 4.340 -0.016 0.000 0.210 37 R C 0.040 175.984 176.300 -0.593 0.000 0.892 37 R CA 0.218 56.114 56.100 -0.341 0.000 1.048 37 R CB 0.359 30.476 30.300 -0.304 0.000 1.067 37 R HN 0.404 nan 8.270 nan 0.000 0.524 38 Y N -1.676 118.474 120.300 -0.250 0.000 2.634 38 Y HA 0.431 4.971 4.550 -0.016 0.000 0.340 38 Y C -0.846 174.804 175.900 -0.416 0.000 1.058 38 Y CA -1.038 56.925 58.100 -0.228 0.000 1.081 38 Y CB 1.412 39.808 38.460 -0.106 0.000 1.295 38 Y HN -0.257 nan 8.280 nan 0.000 0.487 39 F N 0.532 120.568 119.950 0.143 0.000 2.508 39 F HA 0.657 5.174 4.527 -0.016 0.000 0.325 39 F C -0.645 175.149 175.800 -0.010 0.000 1.090 39 F CA -1.224 56.790 58.000 0.024 0.000 0.945 39 F CB 1.692 40.668 39.000 -0.040 0.000 1.156 39 F HN -0.012 nan 8.300 nan 0.000 0.463 40 V N 4.310 124.316 119.914 0.152 0.000 2.398 40 V HA 0.530 4.640 4.120 -0.016 0.000 0.286 40 V C -0.220 175.905 176.094 0.052 0.000 1.026 40 V CA -0.871 61.450 62.300 0.035 0.000 0.868 40 V CB 1.567 33.310 31.823 -0.133 0.000 0.982 40 V HN 0.548 nan 8.190 nan 0.000 0.443 41 R N 4.754 125.257 120.500 0.006 0.000 2.402 41 R HA 0.326 4.656 4.340 -0.016 0.000 0.290 41 R C -2.890 173.561 176.300 0.252 0.000 1.321 41 R CA -1.887 54.161 56.100 -0.086 0.000 1.283 41 R CB 1.601 31.482 30.300 -0.698 0.000 1.111 41 R HN 0.417 nan 8.270 nan 0.000 0.578 42 P HA 0.138 nan 4.420 nan 0.000 0.274 42 P C -0.082 177.648 177.300 0.717 0.000 1.291 42 P CA -0.047 63.431 63.100 0.630 0.000 0.815 42 P CB 0.219 32.345 31.700 0.709 0.000 0.897 43 I N 0.051 121.001 120.570 0.633 0.000 2.562 43 I HA 0.714 4.874 4.170 -0.016 0.000 0.301 43 I C -1.011 175.579 176.117 0.789 0.000 1.003 43 I CA -1.228 60.428 61.300 0.593 0.000 1.127 43 I CB 2.026 40.228 38.000 0.338 0.000 1.304 43 I HN 0.041 nan 8.210 nan 0.000 0.446 44 F N 6.291 126.536 119.950 0.491 0.000 2.496 44 F HA 0.600 5.118 4.527 -0.015 0.000 0.341 44 F C -0.767 175.245 175.800 0.354 0.000 1.134 44 F CA -0.738 57.547 58.000 0.474 0.000 0.968 44 F CB 1.192 40.393 39.000 0.336 0.000 1.205 44 F HN 0.369 nan 8.300 nan 0.000 0.436 45 I N 7.328 127.886 120.570 -0.021 0.000 2.421 45 I HA 0.085 4.246 4.170 -0.016 0.000 0.291 45 I C 0.105 176.118 176.117 -0.172 0.000 1.089 45 I CA -0.130 61.124 61.300 -0.076 0.000 1.354 45 I CB 0.848 38.785 38.000 -0.106 0.000 1.413 45 I HN 0.547 nan 8.210 nan 0.000 0.513 46 L N 6.872 128.135 121.223 0.067 0.000 2.415 46 L HA 0.073 4.403 4.340 -0.016 0.000 0.269 46 L C 0.216 177.168 176.870 0.136 0.000 1.244 46 L CA -0.092 54.864 54.840 0.192 0.000 1.113 46 L CB -0.257 41.970 42.059 0.281 0.000 1.352 46 L HN 0.550 nan 8.230 nan 0.000 0.433 47 D N 5.796 126.265 120.400 0.115 0.000 2.358 47 D HA 0.115 4.746 4.640 -0.016 0.000 0.258 47 D C -1.981 174.424 176.300 0.174 0.000 1.223 47 D CA -1.771 52.310 54.000 0.134 0.000 0.886 47 D CB 1.291 42.196 40.800 0.174 0.000 1.120 47 D HN 0.203 nan 8.370 nan 0.000 0.482 48 P HA 0.276 nan 4.420 nan 0.000 0.214 48 P C 0.403 177.792 177.300 0.149 0.000 1.807 48 P CA -0.238 62.947 63.100 0.142 0.000 0.921 48 P CB 0.632 32.390 31.700 0.096 0.000 1.835 49 G N 0.293 109.204 108.800 0.185 0.000 2.799 49 G HA2 0.010 3.961 3.960 -0.016 0.000 0.201 49 G HA3 0.010 3.961 3.960 -0.016 0.000 0.201 49 G C 0.980 175.980 174.900 0.167 0.000 1.142 49 G CA -0.118 45.120 45.100 0.230 0.000 0.910 49 G HN 0.343 nan 8.290 nan 0.000 0.710 50 I N -0.493 120.086 120.570 0.014 0.000 2.567 50 I HA 0.035 4.195 4.170 -0.016 0.000 0.257 50 I C 2.231 178.367 176.117 0.032 0.000 1.184 50 I CA 0.959 62.148 61.300 -0.185 0.000 1.451 50 I CB -0.268 37.677 38.000 -0.092 0.000 1.089 50 I HN 0.003 nan 8.210 nan 0.000 0.441 51 L N 1.062 122.358 121.223 0.121 0.000 2.131 51 L HA -0.149 4.181 4.340 -0.016 0.000 0.210 51 L C 2.090 179.027 176.870 0.111 0.000 1.092 51 L CA 1.227 56.152 54.840 0.141 0.000 0.759 51 L CB -0.773 41.390 42.059 0.174 0.000 0.903 51 L HN 0.294 nan 8.230 nan 0.000 0.435 52 D N -1.066 119.417 120.400 0.137 0.000 2.183 52 D HA -0.207 4.423 4.640 -0.016 0.000 0.203 52 D C 1.810 178.226 176.300 0.193 0.000 0.969 52 D CA 0.921 55.014 54.000 0.154 0.000 0.842 52 D CB -0.106 40.806 40.800 0.187 0.000 0.957 52 D HN 0.533 nan 8.370 nan 0.000 0.484 53 W N 1.648 122.924 121.300 -0.040 0.000 2.443 53 W HA 0.022 4.673 4.660 -0.016 0.000 0.296 53 W C 0.293 176.779 176.519 -0.054 0.000 1.202 53 W CA 0.364 57.664 57.345 -0.075 0.000 1.312 53 W CB 0.414 29.685 29.460 -0.315 0.000 1.120 53 W HN -0.137 nan 8.180 nan 0.000 0.536 54 M N 0.619 120.086 119.600 -0.221 0.000 2.531 54 M HA 0.376 4.846 4.480 -0.016 0.000 0.286 54 M C -1.029 175.200 176.300 -0.118 0.000 1.232 54 M CA -0.821 54.293 55.300 -0.310 0.000 0.877 54 M CB 2.087 34.457 32.600 -0.384 0.000 1.726 54 M HN -0.268 nan 8.290 nan 0.000 0.463 55 Q N 1.859 121.594 119.800 -0.108 0.000 2.304 55 Q HA 0.516 4.846 4.340 -0.016 0.000 0.260 55 Q C -1.065 174.907 176.000 -0.046 0.000 0.965 55 Q CA -0.282 55.500 55.803 -0.035 0.000 0.898 55 Q CB 2.085 30.805 28.738 -0.029 0.000 1.196 55 Q HN 0.679 nan 8.270 nan 0.000 0.402 56 V N 1.716 121.636 119.914 0.010 0.000 2.482 56 V HA 0.441 4.551 4.120 -0.016 0.000 0.295 56 V C 0.539 176.672 176.094 0.064 0.000 1.026 56 V CA -0.903 61.339 62.300 -0.096 0.000 0.856 56 V CB 1.486 33.062 31.823 -0.411 0.000 1.001 56 V HN 0.873 nan 8.190 nan 0.000 0.424 57 G N 2.574 111.388 108.800 0.024 0.000 2.621 57 G HA2 0.480 4.430 3.960 -0.016 0.000 0.271 57 G HA3 0.480 4.430 3.960 -0.016 0.000 0.271 57 G C 1.074 176.117 174.900 0.239 0.000 1.236 57 G CA 0.156 45.330 45.100 0.122 0.000 0.958 57 G HN 0.975 nan 8.290 nan 0.000 0.512 58 A N -0.007 122.959 122.820 0.243 0.000 1.898 58 A HA -0.096 4.215 4.320 -0.016 0.000 0.216 58 A C 2.289 180.022 177.584 0.248 0.000 1.181 58 A CA 1.755 53.962 52.037 0.284 0.000 0.620 58 A CB -0.483 18.624 19.000 0.178 0.000 0.819 58 A HN 0.568 nan 8.150 nan 0.000 0.442 59 N N -0.315 118.486 118.700 0.168 0.000 2.104 59 N HA -0.178 4.553 4.740 -0.016 0.000 0.190 59 N C 1.840 177.460 175.510 0.183 0.000 1.024 59 N CA 1.630 54.777 53.050 0.160 0.000 0.853 59 N CB -0.422 38.141 38.487 0.128 0.000 1.008 59 N HN 0.620 nan 8.380 nan 0.000 0.424 60 R N -0.359 120.211 120.500 0.115 0.000 2.115 60 R HA -0.047 4.284 4.340 -0.016 0.000 0.226 60 R C 1.989 178.360 176.300 0.118 0.000 1.100 60 R CA 0.978 57.132 56.100 0.089 0.000 0.980 60 R CB -0.211 30.058 30.300 -0.051 0.000 0.875 60 R HN 0.273 nan 8.270 nan 0.000 0.445 61 W N 0.295 121.686 121.300 0.153 0.000 2.363 61 W HA -0.100 4.549 4.660 -0.017 0.000 0.296 61 W C 2.469 179.035 176.519 0.077 0.000 1.212 61 W CA 0.989 58.404 57.345 0.116 0.000 1.260 61 W CB -0.036 29.479 29.460 0.092 0.000 1.131 61 W HN 0.123 nan 8.180 nan 0.000 0.530 62 R N -0.239 120.444 120.500 0.306 0.000 2.075 62 R HA -0.187 4.143 4.340 -0.016 0.000 0.232 62 R C 2.129 178.495 176.300 0.109 0.000 1.126 62 R CA 1.663 57.869 56.100 0.176 0.000 0.963 62 R CB -0.852 29.537 30.300 0.148 0.000 0.858 62 R HN 0.176 nan 8.270 nan 0.000 0.435 63 F N 0.694 120.635 119.950 -0.014 0.000 2.095 63 F HA -0.224 4.293 4.527 -0.017 0.000 0.298 63 F C 1.926 177.543 175.800 -0.305 0.000 1.104 63 F CA 1.469 59.387 58.000 -0.137 0.000 1.232 63 F CB -0.239 38.688 39.000 -0.123 0.000 0.987 63 F HN 0.101 nan 8.300 nan 0.000 0.475 64 L N 0.295 121.463 121.223 -0.090 0.000 2.093 64 L HA -0.198 4.133 4.340 -0.016 0.000 0.208 64 L C 2.447 179.216 176.870 -0.168 0.000 1.085 64 L CA 1.643 56.318 54.840 -0.274 0.000 0.755 64 L CB -1.015 40.986 42.059 -0.097 0.000 0.904 64 L HN 0.217 nan 8.230 nan 0.000 0.435 65 Q N -0.301 119.481 119.800 -0.031 0.000 2.050 65 Q HA -0.260 4.070 4.340 -0.016 0.000 0.202 65 Q C 2.161 178.088 176.000 -0.121 0.000 0.980 65 Q CA 2.174 57.956 55.803 -0.035 0.000 0.840 65 Q CB -0.129 28.624 28.738 0.026 0.000 0.898 65 Q HN 0.687 nan 8.270 nan 0.000 0.424 66 Q N -1.008 118.688 119.800 -0.174 0.000 2.172 66 Q HA -0.066 4.265 4.340 -0.016 0.000 0.200 66 Q C 1.990 177.824 176.000 -0.277 0.000 0.964 66 Q CA 1.619 57.290 55.803 -0.221 0.000 0.855 66 Q CB 0.119 28.697 28.738 -0.267 0.000 0.918 66 Q HN 0.350 nan 8.270 nan 0.000 0.444 67 T N 1.164 115.502 114.554 -0.359 0.000 2.737 67 T HA -0.064 4.276 4.350 -0.016 0.000 0.265 67 T C 1.803 176.322 174.700 -0.302 0.000 1.038 67 T CA 0.819 62.707 62.100 -0.352 0.000 1.144 67 T CB -0.136 68.475 68.868 -0.429 0.000 0.866 67 T HN 0.169 nan 8.240 nan 0.000 0.434 68 L N 0.564 121.598 121.223 -0.315 0.000 2.141 68 L HA -0.026 4.304 4.340 -0.016 0.000 0.209 68 L C 2.702 179.451 176.870 -0.202 0.000 1.094 68 L CA 1.185 55.844 54.840 -0.302 0.000 0.763 68 L CB -0.400 41.486 42.059 -0.288 0.000 0.908 68 L HN 0.303 nan 8.230 nan 0.000 0.437 69 E N 0.134 120.235 120.200 -0.166 0.000 2.107 69 E HA -0.251 4.089 4.350 -0.016 0.000 0.191 69 E C 1.707 178.234 176.600 -0.123 0.000 0.982 69 E CA 1.253 57.579 56.400 -0.123 0.000 0.809 69 E CB 0.178 29.816 29.700 -0.104 0.000 0.756 69 E HN 0.365 nan 8.360 nan 0.000 0.459 70 D N -0.202 120.112 120.400 -0.143 0.000 2.123 70 D HA -0.152 4.478 4.640 -0.016 0.000 0.200 70 D C 1.942 178.168 176.300 -0.123 0.000 0.976 70 D CA 0.554 54.481 54.000 -0.122 0.000 0.831 70 D CB -0.086 40.640 40.800 -0.124 0.000 0.974 70 D HN 0.161 nan 8.370 nan 0.000 0.469 71 L N 0.564 121.685 121.223 -0.170 0.000 2.079 71 L HA -0.125 4.205 4.340 -0.016 0.000 0.210 71 L C 1.674 178.450 176.870 -0.156 0.000 1.081 71 L CA 1.858 56.578 54.840 -0.200 0.000 0.752 71 L CB -0.717 41.133 42.059 -0.348 0.000 0.896 71 L HN 0.033 nan 8.230 nan 0.000 0.433 72 D N -1.082 119.232 120.400 -0.143 0.000 2.117 72 D HA -0.169 4.462 4.640 -0.016 0.000 0.198 72 D C 1.818 178.072 176.300 -0.077 0.000 0.982 72 D CA 1.024 54.958 54.000 -0.109 0.000 0.828 72 D CB -0.041 40.694 40.800 -0.109 0.000 0.967 72 D HN 0.323 nan 8.370 nan 0.000 0.464 73 N N 0.169 118.825 118.700 -0.074 0.000 2.166 73 N HA -0.117 4.614 4.740 -0.016 0.000 0.186 73 N C 1.741 177.227 175.510 -0.041 0.000 1.019 73 N CA 0.747 53.765 53.050 -0.054 0.000 0.856 73 N CB -0.204 38.249 38.487 -0.056 0.000 0.993 73 N HN 0.320 nan 8.380 nan 0.000 0.426 74 Q N 0.483 120.254 119.800 -0.047 0.000 2.123 74 Q HA 0.085 4.415 4.340 -0.016 0.000 0.199 74 Q C 2.304 178.293 176.000 -0.017 0.000 0.966 74 Q CA 0.550 56.333 55.803 -0.034 0.000 0.845 74 Q CB -0.363 28.352 28.738 -0.039 0.000 0.907 74 Q HN 0.406 nan 8.270 nan 0.000 0.439 75 L N 0.180 121.397 121.223 -0.010 0.000 2.217 75 L HA -0.080 4.250 4.340 -0.016 0.000 0.211 75 L C 2.628 179.532 176.870 0.056 0.000 1.107 75 L CA 0.673 55.540 54.840 0.046 0.000 0.783 75 L CB -0.221 41.884 42.059 0.077 0.000 0.919 75 L HN 0.139 nan 8.230 nan 0.000 0.442 76 R N 0.525 121.033 120.500 0.012 0.000 2.092 76 R HA -0.161 4.169 4.340 -0.016 0.000 0.231 76 R C 2.097 178.413 176.300 0.028 0.000 1.119 76 R CA 1.265 57.372 56.100 0.011 0.000 0.970 76 R CB 0.064 30.356 30.300 -0.014 0.000 0.864 76 R HN 0.258 nan 8.270 nan 0.000 0.440 77 K N 0.075 120.487 120.400 0.020 0.000 2.362 77 K HA -0.046 4.264 4.320 -0.016 0.000 0.200 77 K C 1.017 177.644 176.600 0.045 0.000 1.046 77 K CA 0.686 56.986 56.287 0.022 0.000 0.952 77 K CB 0.151 32.655 32.500 0.005 0.000 0.753 77 K HN 0.245 nan 8.250 nan 0.000 0.466 78 L N 1.283 122.551 121.223 0.074 0.000 2.783 78 L HA 0.131 4.461 4.340 -0.016 0.000 0.236 78 L C -0.296 176.683 176.870 0.182 0.000 1.225 78 L CA -0.315 54.605 54.840 0.134 0.000 1.026 78 L CB -0.386 41.765 42.059 0.154 0.000 1.314 78 L HN 0.196 nan 8.230 nan 0.000 0.489 79 N N -0.933 117.836 118.700 0.115 0.000 2.713 79 N HA -0.210 4.521 4.740 -0.016 0.000 0.251 79 N C 0.425 176.002 175.510 0.112 0.000 1.117 79 N CA 1.279 54.388 53.050 0.099 0.000 0.770 79 N CB -0.840 37.700 38.487 0.088 0.000 1.137 79 N HN 0.510 nan 8.380 nan 0.000 0.566 80 S N -0.697 115.087 115.700 0.140 0.000 2.841 80 S HA 0.857 5.317 4.470 -0.016 0.000 0.274 80 S C -0.146 174.487 174.600 0.055 0.000 1.044 80 S CA 0.135 58.421 58.200 0.143 0.000 0.952 80 S CB 1.429 64.791 63.200 0.270 0.000 1.331 80 S HN 0.491 nan 8.310 nan 0.000 0.610 81 R N -0.717 119.781 120.500 -0.004 0.000 2.774 81 R HA 0.575 4.906 4.340 -0.016 0.000 0.279 81 R C -2.157 173.967 176.300 -0.294 0.000 1.022 81 R CA -0.874 55.118 56.100 -0.181 0.000 0.855 81 R CB 0.014 30.129 30.300 -0.310 0.000 1.279 81 R HN 0.473 nan 8.270 nan 0.000 0.485 82 L N 0.686 121.721 121.223 -0.312 0.000 2.379 82 L HA 0.620 4.950 4.340 -0.016 0.000 0.269 82 L C -1.428 175.172 176.870 -0.449 0.000 1.084 82 L CA -0.253 54.463 54.840 -0.206 0.000 0.802 82 L CB 1.149 43.156 42.059 -0.086 0.000 1.175 82 L HN 0.601 nan 8.230 nan 0.000 0.448 83 F N 4.006 124.058 119.950 0.170 0.000 2.445 83 F HA 0.410 4.928 4.527 -0.015 0.000 0.348 83 F C -0.302 175.622 175.800 0.207 0.000 1.125 83 F CA -0.830 57.255 58.000 0.143 0.000 0.983 83 F CB 1.509 40.494 39.000 -0.026 0.000 1.198 83 F HN 0.019 nan 8.300 nan 0.000 0.436 84 V N 4.883 125.034 119.914 0.395 0.000 2.322 84 V HA 0.239 4.349 4.120 -0.016 0.000 0.258 84 V C 0.041 176.387 176.094 0.420 0.000 1.074 84 V CA -0.668 61.872 62.300 0.401 0.000 0.909 84 V CB 0.502 32.519 31.823 0.323 0.000 1.090 84 V HN 0.467 nan 8.190 nan 0.000 0.486 85 V N 5.877 125.974 119.914 0.304 0.000 2.498 85 V HA 0.417 4.528 4.120 -0.016 0.000 0.279 85 V C 0.460 176.666 176.094 0.187 0.000 1.048 85 V CA -0.669 61.779 62.300 0.246 0.000 0.967 85 V CB 1.339 33.131 31.823 -0.052 0.000 0.988 85 V HN 0.773 nan 8.190 nan 0.000 0.473 86 R N 2.514 123.136 120.500 0.203 0.000 2.457 86 R HA 0.764 5.095 4.340 -0.016 0.000 0.284 86 R C 0.449 176.774 176.300 0.043 0.000 1.024 86 R CA 0.678 56.847 56.100 0.115 0.000 1.025 86 R CB 1.352 31.715 30.300 0.104 0.000 1.063 86 R HN 1.226 nan 8.270 nan 0.000 0.493 87 G N 1.171 109.984 108.800 0.023 0.000 2.497 87 G HA2 -0.130 3.820 3.960 -0.016 0.000 0.686 87 G HA3 -0.130 3.820 3.960 -0.016 0.000 0.686 87 G C -1.311 173.566 174.900 -0.038 0.000 1.288 87 G CA -1.117 43.975 45.100 -0.013 0.000 0.899 87 G HN 0.441 nan 8.290 nan 0.000 0.608 88 K N 1.492 121.872 120.400 -0.034 0.000 2.298 88 K HA 0.352 4.663 4.320 -0.016 0.000 0.280 88 K C -1.502 175.026 176.600 -0.121 0.000 1.032 88 K CA -1.289 54.983 56.287 -0.026 0.000 0.958 88 K CB 1.484 33.992 32.500 0.013 0.000 0.978 88 K HN 0.157 nan 8.250 nan 0.000 0.472 89 P HA -0.252 nan 4.420 nan 0.000 0.216 89 P C 0.857 178.105 177.300 -0.086 0.000 1.150 89 P CA 1.331 64.261 63.100 -0.282 0.000 0.843 89 P CB 0.148 31.819 31.700 -0.049 0.000 0.787 90 A N -0.160 122.652 122.820 -0.014 0.000 1.978 90 A HA -0.233 4.077 4.320 -0.016 0.000 0.220 90 A C 2.353 179.924 177.584 -0.021 0.000 1.170 90 A CA 1.716 53.758 52.037 0.008 0.000 0.636 90 A CB -0.989 18.007 19.000 -0.007 0.000 0.810 90 A HN 0.158 nan 8.150 nan 0.000 0.448 91 E N -0.105 120.055 120.200 -0.066 0.000 2.102 91 E HA -0.040 4.300 4.350 -0.016 0.000 0.190 91 E C 2.036 178.546 176.600 -0.149 0.000 0.971 91 E CA 1.176 57.527 56.400 -0.081 0.000 0.821 91 E CB -0.139 29.520 29.700 -0.068 0.000 0.777 91 E HN 0.283 nan 8.360 nan 0.000 0.460 92 V N 1.143 120.904 119.914 -0.254 0.000 2.261 92 V HA -0.234 3.877 4.120 -0.016 0.000 0.246 92 V C 2.331 178.115 176.094 -0.516 0.000 1.047 92 V CA 1.798 63.848 62.300 -0.417 0.000 1.015 92 V CB -0.762 30.718 31.823 -0.572 0.000 0.642 92 V HN 0.159 nan 8.190 nan 0.000 0.446 93 F N 0.162 119.832 119.950 -0.467 0.000 2.065 93 F HA -0.112 4.406 4.527 -0.016 0.000 0.298 93 F C 0.189 175.732 175.800 -0.429 0.000 1.112 93 F CA 2.055 59.651 58.000 -0.674 0.000 1.212 93 F CB -2.394 36.252 39.000 -0.590 0.000 0.975 93 F HN 0.264 nan 8.300 nan 0.000 0.476 94 P HA -0.222 nan 4.420 nan 0.000 0.216 94 P C 1.629 178.925 177.300 -0.006 0.000 1.154 94 P CA 1.974 65.141 63.100 0.112 0.000 0.865 94 P CB -0.167 31.558 31.700 0.043 0.000 0.789 95 R N 0.381 120.794 120.500 -0.144 0.000 2.057 95 R HA -0.107 4.223 4.340 -0.016 0.000 0.229 95 R C 2.171 178.259 176.300 -0.354 0.000 1.136 95 R CA 1.824 57.800 56.100 -0.207 0.000 0.952 95 R CB -0.817 29.351 30.300 -0.220 0.000 0.848 95 R HN 0.169 nan 8.270 nan 0.000 0.430 96 I N -1.643 118.558 120.570 -0.614 0.000 2.928 96 I HA -0.003 4.158 4.170 -0.016 0.000 0.266 96 I C 1.369 177.097 176.117 -0.648 0.000 1.234 96 I CA 0.971 61.603 61.300 -1.113 0.000 1.483 96 I CB -0.358 36.541 38.000 -1.836 0.000 1.097 96 I HN -0.033 nan 8.210 nan 0.000 0.455 97 F N 1.953 121.753 119.950 -0.250 0.000 2.113 97 F HA -0.022 4.496 4.527 -0.016 0.000 0.297 97 F C 2.400 178.172 175.800 -0.046 0.000 1.103 97 F CA 1.382 59.339 58.000 -0.072 0.000 1.248 97 F CB -0.610 38.368 39.000 -0.037 0.000 0.999 97 F HN 0.026 nan 8.300 nan 0.000 0.475 98 K N -0.141 120.325 120.400 0.109 0.000 2.021 98 K HA -0.073 4.237 4.320 -0.016 0.000 0.205 98 K C 2.280 178.902 176.600 0.038 0.000 1.047 98 K CA 1.504 57.828 56.287 0.062 0.000 0.943 98 K CB -0.503 32.013 32.500 0.026 0.000 0.725 98 K HN 0.257 nan 8.250 nan 0.000 0.439 99 S N 0.446 116.114 115.700 -0.053 0.000 2.368 99 S HA -0.148 4.313 4.470 -0.016 0.000 0.225 99 S C 1.643 176.330 174.600 0.146 0.000 1.030 99 S CA 0.754 58.939 58.200 -0.024 0.000 0.999 99 S CB -0.460 62.654 63.200 -0.145 0.000 0.844 99 S HN 0.345 nan 8.310 nan 0.000 0.459 100 W N 1.620 122.920 121.300 0.000 0.000 2.737 100 W HA 0.436 5.086 4.660 -0.016 0.000 0.262 100 W C 0.498 177.055 176.519 0.064 0.000 1.282 100 W CA -0.609 56.732 57.345 -0.005 0.000 1.386 100 W CB -0.842 28.592 29.460 -0.044 0.000 1.099 100 W HN 0.302 nan 8.180 nan 0.000 0.621 101 R N -0.410 120.260 120.500 0.284 0.000 2.983 101 R HA -0.135 4.195 4.340 -0.016 0.000 0.272 101 R C -0.870 175.592 176.300 0.270 0.000 0.926 101 R CA 0.021 56.256 56.100 0.224 0.000 0.667 101 R CB -2.177 28.227 30.300 0.174 0.000 1.540 101 R HN -0.233 nan 8.270 nan 0.000 0.467 102 V N 1.627 121.734 119.914 0.322 0.000 2.461 102 V HA 0.057 4.167 4.120 -0.016 0.000 0.275 102 V C 1.614 177.858 176.094 0.250 0.000 1.047 102 V CA 0.106 62.621 62.300 0.358 0.000 0.955 102 V CB 1.576 33.724 31.823 0.542 0.000 0.988 102 V HN 0.536 nan 8.190 nan 0.000 0.471 103 E N 3.982 124.326 120.200 0.240 0.000 2.127 103 E HA 0.150 4.490 4.350 -0.016 0.000 0.191 103 E C 0.536 177.230 176.600 0.156 0.000 0.964 103 E CA 0.324 56.834 56.400 0.183 0.000 0.832 103 E CB 0.554 30.399 29.700 0.241 0.000 0.790 103 E HN 0.660 nan 8.360 nan 0.000 0.465 104 M N 1.397 121.108 119.600 0.185 0.000 2.457 104 M HA 0.421 4.891 4.480 -0.016 0.000 0.300 104 M C -1.998 174.438 176.300 0.228 0.000 1.141 104 M CA -0.769 54.633 55.300 0.168 0.000 0.901 104 M CB 2.301 34.980 32.600 0.131 0.000 1.687 104 M HN 0.079 nan 8.290 nan 0.000 0.449 105 L N 4.043 125.411 121.223 0.241 0.000 2.409 105 L HA 0.754 5.084 4.340 -0.016 0.000 0.272 105 L C -1.076 175.988 176.870 0.323 0.000 0.980 105 L CA -0.063 54.965 54.840 0.313 0.000 0.826 105 L CB 2.191 44.466 42.059 0.360 0.000 1.268 105 L HN 0.862 nan 8.230 nan 0.000 0.407 106 T N 1.207 115.975 114.554 0.356 0.000 2.887 106 T HA 0.828 5.168 4.350 -0.016 0.000 0.288 106 T C -0.669 174.260 174.700 0.382 0.000 1.021 106 T CA -0.580 61.710 62.100 0.317 0.000 1.000 106 T CB 1.646 70.695 68.868 0.302 0.000 1.034 106 T HN 0.550 nan 8.240 nan 0.000 0.467 107 F N -1.495 118.524 119.950 0.114 0.000 2.693 107 F HA 0.702 5.219 4.527 -0.016 0.000 0.309 107 F C -0.777 175.045 175.800 0.036 0.000 1.129 107 F CA -1.332 56.647 58.000 -0.035 0.000 0.948 107 F CB 1.298 40.251 39.000 -0.078 0.000 1.315 107 F HN 0.730 nan 8.300 nan 0.000 0.447 108 E N 1.697 121.971 120.200 0.125 0.000 2.338 108 E HA 0.332 4.672 4.350 -0.016 0.000 0.272 108 E C -0.392 176.255 176.600 0.079 0.000 1.029 108 E CA -0.472 55.974 56.400 0.077 0.000 0.872 108 E CB 1.220 30.995 29.700 0.125 0.000 1.015 108 E HN 0.780 nan 8.360 nan 0.000 0.417 109 T N 1.440 115.998 114.554 0.006 0.000 2.918 109 T HA 0.220 4.561 4.350 -0.016 0.000 0.302 109 T C -0.252 174.483 174.700 0.058 0.000 1.045 109 T CA -0.737 61.386 62.100 0.038 0.000 1.114 109 T CB 1.185 70.051 68.868 -0.003 0.000 0.965 109 T HN 0.389 nan 8.240 nan 0.000 0.540 110 D N 0.353 120.795 120.400 0.069 0.000 2.934 110 D HA 0.352 4.983 4.640 -0.016 0.000 0.230 110 D C 0.979 177.329 176.300 0.083 0.000 1.204 110 D CA -0.854 53.181 54.000 0.059 0.000 0.873 110 D CB 1.284 42.082 40.800 -0.004 0.000 1.645 110 D HN 0.622 nan 8.370 nan 0.000 0.502 111 I N -0.479 120.191 120.570 0.167 0.000 2.928 111 I HA 0.236 4.396 4.170 -0.016 0.000 0.266 111 I C 0.461 176.602 176.117 0.040 0.000 1.234 111 I CA 0.229 61.624 61.300 0.158 0.000 1.483 111 I CB -0.193 37.977 38.000 0.283 0.000 1.097 111 I HN 0.205 nan 8.210 nan 0.000 0.455 112 E N 2.619 122.797 120.200 -0.037 0.000 2.442 112 E HA -0.014 4.326 4.350 -0.016 0.000 0.262 112 E C -1.546 174.737 176.600 -0.528 0.000 1.004 112 E CA -1.000 55.150 56.400 -0.416 0.000 0.928 112 E CB 0.273 29.816 29.700 -0.263 0.000 0.937 112 E HN 0.141 nan 8.360 nan 0.000 0.446 113 P HA -0.213 nan 4.420 nan 0.000 0.216 113 P C 0.927 177.838 177.300 -0.648 0.000 1.153 113 P CA 1.222 63.968 63.100 -0.588 0.000 0.858 113 P CB 0.004 31.375 31.700 -0.548 0.000 0.789 114 Y N 0.923 120.504 120.300 -1.200 0.000 2.181 114 Y HA -0.242 4.298 4.550 -0.016 0.000 0.288 114 Y C 2.526 178.119 175.900 -0.512 0.000 1.146 114 Y CA 2.221 59.726 58.100 -0.992 0.000 1.164 114 Y CB -0.660 36.906 38.460 -1.490 0.000 0.982 114 Y HN 0.019 nan 8.280 nan 0.000 0.515 115 S N -1.329 114.186 115.700 -0.309 0.000 2.357 115 S HA -0.159 4.302 4.470 -0.016 0.000 0.221 115 S C 2.026 176.520 174.600 -0.177 0.000 1.031 115 S CA 1.236 59.321 58.200 -0.192 0.000 0.982 115 S CB -1.174 61.959 63.200 -0.110 0.000 0.853 115 S HN 0.218 nan 8.310 nan 0.000 0.458 116 V N 3.333 123.140 119.914 -0.178 0.000 2.250 116 V HA -0.243 3.867 4.120 -0.016 0.000 0.250 116 V C 3.241 179.262 176.094 -0.123 0.000 1.060 116 V CA 2.476 64.709 62.300 -0.112 0.000 1.030 116 V CB -1.833 29.928 31.823 -0.103 0.000 0.643 116 V HN 0.892 nan 8.190 nan 0.000 0.445 117 T N -1.282 113.153 114.554 -0.198 0.000 2.867 117 T HA -0.233 4.107 4.350 -0.016 0.000 0.268 117 T C 1.924 176.508 174.700 -0.192 0.000 1.057 117 T CA 1.538 63.524 62.100 -0.189 0.000 1.136 117 T CB -0.305 68.422 68.868 -0.235 0.000 0.874 117 T HN 0.473 nan 8.240 nan 0.000 0.466 118 R N 1.308 121.655 120.500 -0.255 0.000 2.057 118 R HA -0.087 4.243 4.340 -0.016 0.000 0.229 118 R C 1.766 178.032 176.300 -0.056 0.000 1.136 118 R CA 1.766 57.757 56.100 -0.183 0.000 0.952 118 R CB -0.342 29.818 30.300 -0.234 0.000 0.848 118 R HN 0.295 nan 8.270 nan 0.000 0.430 119 D N 0.684 121.057 120.400 -0.044 0.000 2.178 119 D HA -0.113 4.517 4.640 -0.016 0.000 0.201 119 D C 1.709 178.040 176.300 0.053 0.000 0.980 119 D CA 1.373 55.386 54.000 0.023 0.000 0.842 119 D CB -0.248 40.639 40.800 0.145 0.000 0.948 119 D HN 0.395 nan 8.370 nan 0.000 0.472 120 A N 1.225 124.050 122.820 0.009 0.000 1.855 120 A HA -0.005 4.305 4.320 -0.016 0.000 0.215 120 A C 2.342 179.916 177.584 -0.017 0.000 1.191 120 A CA 2.177 54.216 52.037 0.002 0.000 0.613 120 A CB -0.887 18.102 19.000 -0.018 0.000 0.829 120 A HN 0.229 nan 8.150 nan 0.000 0.442 121 A N -0.697 122.100 122.820 -0.039 0.000 1.978 121 A HA 0.016 4.326 4.320 -0.016 0.000 0.220 121 A C 2.195 179.751 177.584 -0.047 0.000 1.170 121 A CA 1.836 53.848 52.037 -0.041 0.000 0.636 121 A CB -0.763 18.207 19.000 -0.050 0.000 0.810 121 A HN 0.384 nan 8.150 nan 0.000 0.448 122 V N -0.691 119.180 119.914 -0.071 0.000 2.379 122 V HA -0.240 3.870 4.120 -0.016 0.000 0.245 122 V C 2.608 178.629 176.094 -0.121 0.000 1.044 122 V CA 2.117 64.311 62.300 -0.176 0.000 1.036 122 V CB -0.681 30.929 31.823 -0.354 0.000 0.664 122 V HN 0.704 nan 8.190 nan 0.000 0.453 123 Q N -0.484 119.296 119.800 -0.033 0.000 2.172 123 Q HA -0.147 4.183 4.340 -0.016 0.000 0.200 123 Q C 2.286 178.265 176.000 -0.036 0.000 0.964 123 Q CA 0.995 56.801 55.803 0.004 0.000 0.855 123 Q CB 0.104 28.888 28.738 0.077 0.000 0.918 123 Q HN 0.436 nan 8.270 nan 0.000 0.444 124 K N 0.288 120.666 120.400 -0.037 0.000 2.057 124 K HA -0.149 4.162 4.320 -0.016 0.000 0.206 124 K C 2.007 178.567 176.600 -0.066 0.000 1.050 124 K CA 0.754 57.015 56.287 -0.043 0.000 0.935 124 K CB -0.411 32.069 32.500 -0.033 0.000 0.715 124 K HN 0.225 nan 8.250 nan 0.000 0.439 125 L N 1.081 122.262 121.223 -0.071 0.000 2.141 125 L HA -0.049 4.281 4.340 -0.016 0.000 0.209 125 L C 2.166 178.914 176.870 -0.203 0.000 1.094 125 L CA 1.430 56.219 54.840 -0.086 0.000 0.763 125 L CB -0.469 41.582 42.059 -0.014 0.000 0.908 125 L HN 0.126 nan 8.230 nan 0.000 0.437 126 A N -0.639 122.034 122.820 -0.244 0.000 1.933 126 A HA -0.240 4.070 4.320 -0.016 0.000 0.218 126 A C 2.320 179.747 177.584 -0.260 0.000 1.175 126 A CA 1.801 53.605 52.037 -0.389 0.000 0.628 126 A CB -0.507 18.348 19.000 -0.241 0.000 0.814 126 A HN 0.386 nan 8.150 nan 0.000 0.444 127 K N 0.153 120.461 120.400 -0.153 0.000 2.148 127 K HA 0.071 4.381 4.320 -0.016 0.000 0.204 127 K C 1.889 178.424 176.600 -0.108 0.000 1.050 127 K CA 1.442 57.665 56.287 -0.107 0.000 0.942 127 K CB -0.432 32.027 32.500 -0.069 0.000 0.724 127 K HN 0.329 nan 8.250 nan 0.000 0.446 128 A N 0.535 123.284 122.820 -0.119 0.000 1.897 128 A HA -0.038 4.272 4.320 -0.016 0.000 0.215 128 A C 1.522 179.035 177.584 -0.119 0.000 1.181 128 A CA 1.284 53.262 52.037 -0.099 0.000 0.620 128 A CB -0.256 18.696 19.000 -0.080 0.000 0.821 128 A HN 0.272 nan 8.150 nan 0.000 0.443 129 E N -0.663 119.421 120.200 -0.193 0.000 2.465 129 E HA 0.205 4.546 4.350 -0.016 0.000 0.191 129 E C 0.761 177.244 176.600 -0.195 0.000 1.053 129 E CA 0.501 56.776 56.400 -0.208 0.000 0.869 129 E CB -0.257 29.250 29.700 -0.322 0.000 0.977 129 E HN 0.705 nan 8.360 nan 0.000 0.483 130 G N 1.343 110.044 108.800 -0.165 0.000 2.333 130 G HA2 -0.248 3.702 3.960 -0.016 0.000 0.296 130 G HA3 -0.248 3.702 3.960 -0.016 0.000 0.296 130 G C 0.024 174.848 174.900 -0.127 0.000 1.059 130 G CA 0.359 45.391 45.100 -0.114 0.000 1.050 130 G HN 0.112 nan 8.290 nan 0.000 0.508 131 V N 0.947 120.744 119.914 -0.196 0.000 2.409 131 V HA 0.458 4.569 4.120 -0.016 0.000 0.291 131 V C 0.915 176.962 176.094 -0.080 0.000 1.020 131 V CA -1.113 61.085 62.300 -0.170 0.000 0.848 131 V CB 1.681 33.258 31.823 -0.410 0.000 0.990 131 V HN 0.558 nan 8.190 nan 0.000 0.430 132 R N 3.129 123.627 120.500 -0.003 0.000 2.442 132 R HA 0.499 4.829 4.340 -0.016 0.000 0.291 132 R C -1.263 175.065 176.300 0.047 0.000 1.069 132 R CA -0.004 56.108 56.100 0.020 0.000 1.022 132 R CB 0.966 31.293 30.300 0.046 0.000 0.976 132 R HN 0.552 nan 8.270 nan 0.000 0.443 133 V N 4.636 124.568 119.914 0.030 0.000 2.482 133 V HA 0.251 4.361 4.120 -0.016 0.000 0.295 133 V C -0.649 175.432 176.094 -0.022 0.000 1.026 133 V CA -0.625 61.707 62.300 0.054 0.000 0.856 133 V CB 1.657 33.541 31.823 0.100 0.000 1.001 133 V HN 0.790 nan 8.190 nan 0.000 0.424 134 E N 3.004 123.168 120.200 -0.060 0.000 2.216 134 E HA 0.526 4.866 4.350 -0.016 0.000 0.260 134 E C -0.330 176.117 176.600 -0.254 0.000 0.880 134 E CA -0.420 55.871 56.400 -0.182 0.000 0.765 134 E CB 1.743 31.305 29.700 -0.230 0.000 1.174 134 E HN 0.822 nan 8.360 nan 0.000 0.417 135 T N 0.932 115.257 114.554 -0.381 0.000 2.918 135 T HA 0.404 4.744 4.350 -0.016 0.000 0.283 135 T C -0.115 174.328 174.700 -0.428 0.000 1.001 135 T CA -0.594 61.214 62.100 -0.485 0.000 1.041 135 T CB 1.226 69.706 68.868 -0.647 0.000 1.028 135 T HN 0.409 nan 8.240 nan 0.000 0.511 136 H N -0.487 118.440 119.070 -0.239 0.000 2.747 136 H HA 0.469 5.016 4.556 -0.016 0.000 0.371 136 H C -0.900 174.378 175.328 -0.084 0.000 1.161 136 H CA -0.784 55.189 56.048 -0.126 0.000 1.167 136 H CB 1.950 31.666 29.762 -0.077 0.000 1.732 136 H HN 0.804 nan 8.280 nan 0.000 0.544 137 C N 3.200 122.535 119.300 0.059 0.000 2.242 137 C HA 0.290 4.741 4.460 -0.016 0.000 0.317 137 C C 1.029 176.052 174.990 0.056 0.000 1.087 137 C CA -0.165 58.878 59.018 0.043 0.000 1.535 137 C CB -1.790 25.960 27.740 0.017 0.000 1.893 137 C HN 0.814 nan 8.230 nan 0.000 0.426 138 S N 1.419 117.163 115.700 0.074 0.000 2.787 138 S HA 0.053 4.513 4.470 -0.016 0.000 0.255 138 S C 1.012 175.651 174.600 0.064 0.000 1.051 138 S CA 0.139 58.371 58.200 0.055 0.000 1.124 138 S CB -0.544 62.687 63.200 0.052 0.000 1.104 138 S HN 0.846 nan 8.310 nan 0.000 0.623 139 H N 3.659 122.715 119.070 -0.023 0.000 2.326 139 H HA 0.113 4.659 4.556 -0.016 0.000 0.301 139 H C 0.975 176.233 175.328 -0.116 0.000 1.081 139 H CA 2.229 58.244 56.048 -0.054 0.000 1.334 139 H CB -0.235 29.480 29.762 -0.077 0.000 1.385 139 H HN 0.579 nan 8.280 nan 0.000 0.504 140 T N -2.350 112.121 114.554 -0.139 0.000 2.945 140 T HA 0.302 4.642 4.350 -0.016 0.000 0.286 140 T C 1.611 176.259 174.700 -0.087 0.000 1.025 140 T CA -0.415 61.585 62.100 -0.167 0.000 1.039 140 T CB 1.463 70.240 68.868 -0.152 0.000 1.068 140 T HN 0.192 nan 8.240 nan 0.000 0.497 141 I N -0.502 120.009 120.570 -0.098 0.000 2.202 141 I HA -0.012 4.148 4.170 -0.016 0.000 0.242 141 I C 0.133 176.025 176.117 -0.376 0.000 1.091 141 I CA 1.012 62.156 61.300 -0.260 0.000 1.368 141 I CB -0.212 37.574 38.000 -0.358 0.000 1.058 141 I HN 0.556 nan 8.210 nan 0.000 0.410 142 Y N 0.565 120.884 120.300 0.032 0.000 2.360 142 Y HA 0.309 4.850 4.550 -0.016 0.000 0.337 142 Y C 0.411 176.338 175.900 0.047 0.000 1.039 142 Y CA -1.323 56.793 58.100 0.028 0.000 1.109 142 Y CB 0.401 38.869 38.460 0.014 0.000 1.201 142 Y HN -0.057 nan 8.280 nan 0.000 0.458 143 N N 4.281 123.091 118.700 0.184 0.000 2.452 143 N HA 0.061 4.791 4.740 -0.016 0.000 0.266 143 N C -2.011 173.591 175.510 0.153 0.000 1.175 143 N CA -1.376 51.752 53.050 0.130 0.000 0.945 143 N CB 1.355 39.892 38.487 0.083 0.000 1.063 143 N HN 0.357 nan 8.380 nan 0.000 0.472 144 P HA -0.107 nan 4.420 nan 0.000 0.216 144 P C 0.706 178.086 177.300 0.134 0.000 1.150 144 P CA 1.309 64.515 63.100 0.175 0.000 0.837 144 P CB 0.370 32.181 31.700 0.185 0.000 0.786 145 E N -0.502 119.762 120.200 0.107 0.000 2.077 145 E HA -0.134 4.206 4.350 -0.016 0.000 0.193 145 E C 2.004 178.645 176.600 0.069 0.000 0.989 145 E CA 0.945 57.395 56.400 0.083 0.000 0.800 145 E CB -0.599 29.140 29.700 0.064 0.000 0.746 145 E HN 0.269 nan 8.360 nan 0.000 0.452 146 L N 0.529 121.791 121.223 0.065 0.000 2.141 146 L HA -0.142 4.188 4.340 -0.016 0.000 0.209 146 L C 2.441 179.331 176.870 0.033 0.000 1.094 146 L CA 0.498 55.366 54.840 0.046 0.000 0.763 146 L CB -0.291 41.798 42.059 0.050 0.000 0.908 146 L HN 0.030 nan 8.230 nan 0.000 0.437 147 V N 0.117 120.060 119.914 0.047 0.000 2.307 147 V HA -0.272 3.839 4.120 -0.016 0.000 0.245 147 V C 2.318 178.442 176.094 0.049 0.000 1.045 147 V CA 1.720 64.029 62.300 0.016 0.000 1.024 147 V CB -0.271 31.590 31.823 0.063 0.000 0.651 147 V HN 0.294 nan 8.190 nan 0.000 0.449 148 I N 0.441 121.063 120.570 0.086 0.000 2.179 148 I HA -0.259 3.902 4.170 -0.016 0.000 0.242 148 I C 2.691 178.846 176.117 0.063 0.000 1.088 148 I CA 1.528 62.883 61.300 0.092 0.000 1.357 148 I CB -0.580 37.483 38.000 0.105 0.000 1.051 148 I HN 0.291 nan 8.210 nan 0.000 0.409 149 A N 0.711 123.560 122.820 0.049 0.000 1.865 149 A HA -0.234 4.076 4.320 -0.016 0.000 0.217 149 A C 2.278 179.875 177.584 0.022 0.000 1.191 149 A CA 1.688 53.746 52.037 0.034 0.000 0.623 149 A CB -0.492 18.524 19.000 0.028 0.000 0.826 149 A HN 0.301 nan 8.150 nan 0.000 0.444 150 K N -0.680 119.725 120.400 0.009 0.000 2.439 150 K HA -0.065 4.245 4.320 -0.016 0.000 0.197 150 K C 0.464 177.060 176.600 -0.007 0.000 1.041 150 K CA 0.837 57.119 56.287 -0.008 0.000 0.970 150 K CB -0.185 32.296 32.500 -0.032 0.000 0.773 150 K HN 0.377 nan 8.250 nan 0.000 0.479 151 N N 0.980 119.686 118.700 0.011 0.000 2.558 151 N HA 0.103 4.834 4.740 -0.016 0.000 0.281 151 N C -0.680 174.854 175.510 0.040 0.000 1.219 151 N CA -0.049 53.017 53.050 0.026 0.000 0.942 151 N CB -0.447 38.068 38.487 0.048 0.000 1.241 151 N HN 0.075 nan 8.380 nan 0.000 0.511 152 L N -0.792 120.449 121.223 0.030 0.000 3.634 152 L HA -0.266 4.064 4.340 -0.016 0.000 0.423 152 L C 0.947 177.842 176.870 0.041 0.000 1.253 152 L CA 0.330 55.188 54.840 0.031 0.000 0.885 152 L CB -2.188 39.888 42.059 0.029 0.000 1.789 152 L HN 0.420 nan 8.230 nan 0.000 0.904 153 G N -1.045 107.783 108.800 0.046 0.000 2.143 153 G HA2 -0.282 3.668 3.960 -0.016 0.000 0.248 153 G HA3 -0.282 3.668 3.960 -0.016 0.000 0.248 153 G C 0.182 175.125 174.900 0.071 0.000 0.991 153 G CA 0.855 45.987 45.100 0.053 0.000 0.689 153 G HN 0.476 nan 8.290 nan 0.000 0.522 154 K N -0.621 119.830 120.400 0.084 0.000 2.512 154 K HA 0.721 5.031 4.320 -0.016 0.000 0.263 154 K C -0.149 176.536 176.600 0.143 0.000 0.966 154 K CA -0.284 56.072 56.287 0.115 0.000 0.851 154 K CB 2.160 34.726 32.500 0.110 0.000 1.395 154 K HN 0.544 nan 8.250 nan 0.000 0.440 155 A N 2.429 125.364 122.820 0.191 0.000 2.331 155 A HA 0.484 4.794 4.320 -0.016 0.000 0.283 155 A C -2.405 175.330 177.584 0.252 0.000 1.142 155 A CA -1.395 50.771 52.037 0.215 0.000 0.812 155 A CB -0.096 19.035 19.000 0.219 0.000 1.074 155 A HN 0.279 nan 8.150 nan 0.000 0.497 156 P HA 0.135 nan 4.420 nan 0.000 0.267 156 P C 0.510 178.055 177.300 0.409 0.000 1.209 156 P CA 0.072 63.361 63.100 0.314 0.000 0.763 156 P CB 0.303 32.219 31.700 0.360 0.000 0.816 157 I N 0.241 121.055 120.570 0.407 0.000 3.875 157 I HA 0.165 4.326 4.170 -0.016 0.000 0.329 157 I C -0.080 176.397 176.117 0.600 0.000 1.295 157 I CA -0.105 61.516 61.300 0.534 0.000 1.129 157 I CB -0.376 37.900 38.000 0.459 0.000 1.008 157 I HN 0.165 nan 8.210 nan 0.000 0.413 158 T N -3.886 110.922 114.554 0.424 0.000 2.906 158 T HA 0.300 4.640 4.350 -0.016 0.000 0.295 158 T C 0.151 174.822 174.700 -0.048 0.000 1.075 158 T CA -0.585 61.657 62.100 0.237 0.000 1.005 158 T CB 1.968 70.949 68.868 0.189 0.000 1.136 158 T HN 0.149 nan 8.240 nan 0.000 0.498 159 Y N 1.119 121.154 120.300 -0.442 0.000 2.220 159 Y HA -0.053 4.487 4.550 -0.016 0.000 0.291 159 Y C 2.613 178.340 175.900 -0.290 0.000 1.129 159 Y CA 1.478 59.130 58.100 -0.748 0.000 1.161 159 Y CB -0.069 37.832 38.460 -0.932 0.000 0.997 159 Y HN 0.547 nan 8.280 nan 0.000 0.522 160 Q N 0.483 120.252 119.800 -0.052 0.000 2.167 160 Q HA -0.178 4.152 4.340 -0.016 0.000 0.202 160 Q C 2.140 178.093 176.000 -0.079 0.000 0.970 160 Q CA 1.397 57.167 55.803 -0.055 0.000 0.855 160 Q CB -0.294 28.468 28.738 0.040 0.000 0.911 160 Q HN 0.491 nan 8.270 nan 0.000 0.438 161 K N -0.049 120.338 120.400 -0.022 0.000 2.103 161 K HA -0.104 4.206 4.320 -0.016 0.000 0.204 161 K C 1.937 178.523 176.600 -0.022 0.000 1.052 161 K CA 0.542 56.830 56.287 0.002 0.000 0.945 161 K CB -0.120 32.423 32.500 0.072 0.000 0.722 161 K HN 0.066 nan 8.250 nan 0.000 0.443 162 F N 1.861 121.702 119.950 -0.182 0.000 2.134 162 F HA -0.167 4.350 4.527 -0.016 0.000 0.299 162 F C 1.632 177.239 175.800 -0.321 0.000 1.097 162 F CA 1.320 59.193 58.000 -0.211 0.000 1.264 162 F CB -0.154 38.720 39.000 -0.209 0.000 1.001 162 F HN -0.043 nan 8.300 nan 0.000 0.479 163 L N -0.217 120.753 121.223 -0.422 0.000 2.083 163 L HA -0.164 4.167 4.340 -0.016 0.000 0.209 163 L C 2.763 179.412 176.870 -0.368 0.000 1.083 163 L CA 1.315 55.879 54.840 -0.460 0.000 0.752 163 L CB -1.519 40.320 42.059 -0.366 0.000 0.899 163 L HN 0.342 nan 8.230 nan 0.000 0.433 164 G N 0.060 108.700 108.800 -0.265 0.000 2.422 164 G HA2 -0.174 3.776 3.960 -0.016 0.000 0.218 164 G HA3 -0.174 3.776 3.960 -0.016 0.000 0.218 164 G C 1.489 176.248 174.900 -0.234 0.000 1.140 164 G CA 0.334 45.315 45.100 -0.197 0.000 0.775 164 G HN 0.170 nan 8.290 nan 0.000 0.545 165 I N 1.520 121.906 120.570 -0.307 0.000 2.333 165 I HA -0.061 4.100 4.170 -0.016 0.000 0.246 165 I C 3.053 178.901 176.117 -0.448 0.000 1.106 165 I CA 0.998 62.109 61.300 -0.314 0.000 1.411 165 I CB -1.139 36.698 38.000 -0.272 0.000 1.082 165 I HN 0.206 nan 8.210 nan 0.000 0.420 166 V N 0.570 120.058 119.914 -0.710 0.000 2.591 166 V HA -0.117 3.994 4.120 -0.016 0.000 0.249 166 V C 2.202 177.893 176.094 -0.672 0.000 1.053 166 V CA 1.398 63.106 62.300 -0.987 0.000 1.068 166 V CB -1.234 29.678 31.823 -1.518 0.000 0.689 166 V HN 0.552 nan 8.190 nan 0.000 0.462 167 E N 2.505 122.460 120.200 -0.409 0.000 2.268 167 E HA -0.265 4.075 4.350 -0.016 0.000 0.195 167 E C 1.753 178.276 176.600 -0.128 0.000 0.995 167 E CA 1.163 57.441 56.400 -0.202 0.000 0.836 167 E CB -0.393 29.213 29.700 -0.156 0.000 0.763 167 E HN 0.889 nan 8.360 nan 0.000 0.491 168 Q N 1.220 120.927 119.800 -0.155 0.000 2.296 168 Q HA 0.330 4.661 4.340 -0.016 0.000 0.273 168 Q C -0.348 175.608 176.000 -0.074 0.000 0.900 168 Q CA -0.174 55.573 55.803 -0.094 0.000 0.993 168 Q CB 0.077 28.762 28.738 -0.089 0.000 1.132 168 Q HN 0.207 nan 8.270 nan 0.000 0.439 169 L N 0.452 121.643 121.223 -0.052 0.000 2.388 169 L HA 0.506 4.836 4.340 -0.016 0.000 0.264 169 L C -0.402 176.545 176.870 0.128 0.000 0.998 169 L CA -1.222 53.636 54.840 0.030 0.000 0.817 169 L CB 2.442 44.513 42.059 0.019 0.000 1.338 169 L HN 0.043 nan 8.230 nan 0.000 0.414 170 K N 1.333 121.791 120.400 0.097 0.000 2.368 170 K HA 0.261 4.571 4.320 -0.016 0.000 0.282 170 K C -0.787 175.853 176.600 0.066 0.000 1.035 170 K CA -0.376 55.953 56.287 0.069 0.000 0.973 170 K CB 1.202 33.723 32.500 0.035 0.000 0.957 170 K HN 0.233 nan 8.250 nan 0.000 0.474 171 V N 6.298 126.224 119.914 0.020 0.000 2.427 171 V HA 0.091 4.201 4.120 -0.016 0.000 0.268 171 V C -1.768 174.288 176.094 -0.063 0.000 1.046 171 V CA -1.573 60.679 62.300 -0.080 0.000 0.970 171 V CB 0.239 32.014 31.823 -0.081 0.000 1.001 171 V HN 0.712 nan 8.190 nan 0.000 0.476 172 P HA 0.196 nan 4.420 nan 0.000 0.270 172 P C -0.311 176.971 177.300 -0.031 0.000 1.223 172 P CA -0.466 62.610 63.100 -0.040 0.000 0.785 172 P CB 0.469 32.144 31.700 -0.040 0.000 0.923 173 K N 0.727 121.121 120.400 -0.009 0.000 2.379 173 K HA 0.199 4.509 4.320 -0.016 0.000 0.284 173 K C -0.528 176.071 176.600 -0.000 0.000 1.044 173 K CA -0.438 55.847 56.287 -0.003 0.000 0.974 173 K CB 0.309 32.813 32.500 0.006 0.000 0.962 173 K HN 0.173 nan 8.250 nan 0.000 0.474 174 V N 6.086 126.000 119.914 0.000 0.000 2.439 174 V HA 0.085 4.195 4.120 -0.016 0.000 0.271 174 V C 0.513 176.619 176.094 0.019 0.000 1.040 174 V CA -0.245 62.064 62.300 0.014 0.000 1.002 174 V CB 0.044 31.880 31.823 0.022 0.000 1.000 174 V HN 0.576 nan 8.190 nan 0.000 0.477 175 L N 4.027 125.262 121.223 0.020 0.000 2.416 175 L HA 0.654 4.984 4.340 -0.016 0.000 0.262 175 L C 1.241 178.129 176.870 0.029 0.000 1.093 175 L CA -0.034 54.814 54.840 0.013 0.000 0.801 175 L CB 0.847 42.901 42.059 -0.008 0.000 1.191 175 L HN 0.729 nan 8.230 nan 0.000 0.459 176 G N 0.135 108.944 108.800 0.015 0.000 2.773 176 G HA2 0.441 4.391 3.960 -0.016 0.000 0.186 176 G HA3 0.441 4.391 3.960 -0.016 0.000 0.186 176 G C -0.667 174.239 174.900 0.009 0.000 1.411 176 G CA -0.412 44.702 45.100 0.023 0.000 1.054 176 G HN 0.270 nan 8.290 nan 0.000 0.579 177 V N 2.222 122.131 119.914 -0.008 0.000 2.439 177 V HA 0.301 4.412 4.120 -0.016 0.000 0.282 177 V C -1.652 174.387 176.094 -0.091 0.000 1.039 177 V CA -0.955 61.316 62.300 -0.049 0.000 0.913 177 V CB 1.192 32.996 31.823 -0.033 0.000 0.983 177 V HN 0.472 nan 8.190 nan 0.000 0.460 178 P HA 0.078 nan 4.420 nan 0.000 0.270 178 P C -0.142 177.099 177.300 -0.099 0.000 1.221 178 P CA -0.168 62.803 63.100 -0.216 0.000 0.788 178 P CB 0.414 31.730 31.700 -0.640 0.000 0.904 179 E N 0.315 120.540 120.200 0.043 0.000 2.404 179 E HA 0.026 4.367 4.350 -0.016 0.000 0.261 179 E C 0.138 176.846 176.600 0.180 0.000 1.074 179 E CA -0.329 56.133 56.400 0.102 0.000 0.917 179 E CB 0.344 30.115 29.700 0.118 0.000 0.965 179 E HN 0.257 nan 8.360 nan 0.000 0.433 180 K N 2.851 123.324 120.400 0.122 0.000 2.402 180 K HA 0.042 4.352 4.320 -0.016 0.000 0.285 180 K C -0.473 176.214 176.600 0.146 0.000 1.054 180 K CA -0.177 56.191 56.287 0.136 0.000 1.001 180 K CB 0.167 32.714 32.500 0.078 0.000 0.946 180 K HN 0.422 nan 8.250 nan 0.000 0.473 181 L N 5.886 127.218 121.223 0.182 0.000 2.615 181 L HA -0.046 4.285 4.340 -0.016 0.000 0.271 181 L C 0.313 177.214 176.870 0.052 0.000 1.183 181 L CA 0.554 55.448 54.840 0.091 0.000 0.933 181 L CB 0.054 42.132 42.059 0.031 0.000 1.199 181 L HN 0.531 nan 8.230 nan 0.000 0.487 182 K N 4.852 125.272 120.400 0.032 0.000 2.276 182 K HA 0.167 4.477 4.320 -0.016 0.000 0.283 182 K C 0.030 176.633 176.600 0.005 0.000 1.044 182 K CA -0.665 55.634 56.287 0.021 0.000 0.944 182 K CB 0.513 33.024 32.500 0.018 0.000 1.012 182 K HN 0.545 nan 8.250 nan 0.000 0.472 183 N N 1.888 120.592 118.700 0.007 0.000 2.671 183 N HA -0.203 4.528 4.740 -0.016 0.000 0.261 183 N C -1.077 174.424 175.510 -0.015 0.000 1.053 183 N CA 0.724 53.772 53.050 -0.004 0.000 0.732 183 N CB -0.763 37.715 38.487 -0.016 0.000 0.887 183 N HN 0.517 nan 8.380 nan 0.000 0.546 184 M N 1.311 120.918 119.600 0.012 0.000 1.999 184 M HA 0.388 4.858 4.480 -0.016 0.000 0.299 184 M C -2.394 173.961 176.300 0.092 0.000 0.900 184 M CA -1.648 53.670 55.300 0.030 0.000 0.904 184 M CB 1.207 33.822 32.600 0.025 0.000 1.477 184 M HN 0.012 nan 8.290 nan 0.000 0.403 185 P HA 0.414 nan 4.420 nan 0.000 0.276 185 P C -0.895 176.562 177.300 0.261 0.000 1.252 185 P CA -0.312 62.898 63.100 0.183 0.000 0.802 185 P CB 0.270 32.087 31.700 0.194 0.000 1.035 186 T N -1.216 113.439 114.554 0.168 0.000 2.853 186 T HA 0.232 4.572 4.350 -0.016 0.000 0.298 186 T C -2.244 172.452 174.700 -0.006 0.000 0.978 186 T CA -1.291 60.880 62.100 0.118 0.000 1.152 186 T CB -0.919 68.001 68.868 0.087 0.000 0.914 186 T HN 0.214 nan 8.240 nan 0.000 0.539 187 P HA 0.166 nan 4.420 nan 0.000 0.264 187 P C -2.073 174.949 177.300 -0.464 0.000 1.193 187 P CA -1.008 61.605 63.100 -0.812 0.000 0.763 187 P CB -0.417 30.820 31.700 -0.771 0.000 0.810 188 P HA 0.022 nan 4.420 nan 0.000 0.266 188 P C -0.386 176.842 177.300 -0.120 0.000 1.195 188 P CA 0.166 63.150 63.100 -0.192 0.000 0.768 188 P CB 0.584 32.200 31.700 -0.140 0.000 0.838 189 K N 2.559 122.937 120.400 -0.036 0.000 2.447 189 K HA 0.021 4.332 4.320 -0.016 0.000 0.281 189 K C 0.891 177.522 176.600 0.052 0.000 1.031 189 K CA 0.057 56.356 56.287 0.019 0.000 1.019 189 K CB 0.137 32.652 32.500 0.025 0.000 0.918 189 K HN 0.544 nan 8.250 nan 0.000 0.476 190 D N 2.244 122.719 120.400 0.126 0.000 2.376 190 D HA -0.039 4.592 4.640 -0.016 0.000 0.268 190 D C 0.536 176.887 176.300 0.086 0.000 1.252 190 D CA -0.160 53.932 54.000 0.154 0.000 1.041 190 D CB 0.390 41.375 40.800 0.310 0.000 1.109 190 D HN 0.349 nan 8.370 nan 0.000 0.552 191 E N -1.128 119.109 120.200 0.061 0.000 2.204 191 E HA -0.068 4.273 4.350 -0.016 0.000 0.195 191 E C 1.820 178.424 176.600 0.006 0.000 0.990 191 E CA 1.001 57.414 56.400 0.021 0.000 0.821 191 E CB -0.246 29.455 29.700 0.002 0.000 0.750 191 E HN 0.349 nan 8.360 nan 0.000 0.477 192 V N 0.363 120.284 119.914 0.013 0.000 2.500 192 V HA -0.095 4.015 4.120 -0.016 0.000 0.243 192 V C 1.832 177.863 176.094 -0.104 0.000 1.039 192 V CA 1.265 63.528 62.300 -0.062 0.000 1.053 192 V CB -0.350 31.408 31.823 -0.108 0.000 0.695 192 V HN 0.142 nan 8.190 nan 0.000 0.463 193 E N 0.189 120.358 120.200 -0.051 0.000 2.204 193 E HA -0.223 4.117 4.350 -0.016 0.000 0.194 193 E C 2.289 178.880 176.600 -0.015 0.000 0.989 193 E CA 1.002 57.380 56.400 -0.038 0.000 0.824 193 E CB -0.086 29.655 29.700 0.069 0.000 0.756 193 E HN 0.649 nan 8.360 nan 0.000 0.477 194 Q N 0.434 120.233 119.800 -0.002 0.000 2.119 194 Q HA -0.098 4.233 4.340 -0.016 0.000 0.201 194 Q C 1.751 177.743 176.000 -0.014 0.000 0.972 194 Q CA 1.023 56.825 55.803 -0.002 0.000 0.847 194 Q CB 0.108 28.849 28.738 0.005 0.000 0.903 194 Q HN 0.103 nan 8.270 nan 0.000 0.433 195 K N -0.118 120.267 120.400 -0.025 0.000 2.305 195 K HA -0.017 4.293 4.320 -0.016 0.000 0.199 195 K C -0.245 176.332 176.600 -0.039 0.000 1.047 195 K CA 0.525 56.794 56.287 -0.030 0.000 0.976 195 K CB 0.422 32.903 32.500 -0.032 0.000 0.765 195 K HN 0.006 nan 8.250 nan 0.000 0.474 196 D N -0.917 119.451 120.400 -0.054 0.000 2.738 196 D HA 0.023 4.654 4.640 -0.016 0.000 0.218 196 D C 0.526 176.789 176.300 -0.062 0.000 1.345 196 D CA -0.279 53.687 54.000 -0.057 0.000 0.943 196 D CB 1.384 42.140 40.800 -0.073 0.000 1.514 196 D HN -0.061 nan 8.370 nan 0.000 0.585 197 S N 2.389 118.071 115.700 -0.031 0.000 2.383 197 S HA -0.074 4.387 4.470 -0.016 0.000 0.227 197 S C 1.589 176.187 174.600 -0.004 0.000 1.026 197 S CA 0.777 58.971 58.200 -0.009 0.000 0.981 197 S CB -0.068 63.135 63.200 0.005 0.000 0.818 197 S HN 0.501 nan 8.310 nan 0.000 0.472 198 A N 0.522 123.332 122.820 -0.015 0.000 2.734 198 A HA 0.819 5.129 4.320 -0.016 0.000 0.279 198 A C 1.709 179.277 177.584 -0.027 0.000 1.386 198 A CA 0.286 52.322 52.037 -0.002 0.000 0.987 198 A CB -0.870 18.130 19.000 0.000 0.000 1.041 198 A HN 0.666 nan 8.150 nan 0.000 0.569 199 A N -0.824 121.931 122.820 -0.109 0.000 1.968 199 A HA 0.069 4.379 4.320 -0.016 0.000 0.217 199 A C 1.171 178.643 177.584 -0.188 0.000 1.169 199 A CA 1.052 52.945 52.037 -0.240 0.000 0.638 199 A CB -0.353 18.362 19.000 -0.475 0.000 0.812 199 A HN 0.555 nan 8.150 nan 0.000 0.446 200 Y N 0.824 121.216 120.300 0.153 0.000 2.658 200 Y HA 0.262 4.802 4.550 -0.016 0.000 0.276 200 Y C -0.341 175.651 175.900 0.154 0.000 1.167 200 Y CA -1.857 56.370 58.100 0.211 0.000 1.230 200 Y CB -0.523 38.161 38.460 0.373 0.000 1.144 200 Y HN 0.183 nan 8.280 nan 0.000 0.529 201 D N -0.697 119.817 120.400 0.190 0.000 2.371 201 D HA 0.072 4.703 4.640 -0.016 0.000 0.242 201 D C -0.020 176.336 176.300 0.093 0.000 1.218 201 D CA -0.162 53.898 54.000 0.100 0.000 0.945 201 D CB 0.700 41.530 40.800 0.050 0.000 1.137 201 D HN 0.039 nan 8.370 nan 0.000 0.464 202 C N 2.853 122.177 119.300 0.041 0.000 2.648 202 C HA 0.184 4.634 4.460 -0.016 0.000 0.415 202 C C -1.794 173.215 174.990 0.032 0.000 1.366 202 C CA -1.126 57.908 59.018 0.027 0.000 1.756 202 C CB -0.730 26.998 27.740 -0.020 0.000 2.549 202 C HN 0.409 nan 8.230 nan 0.000 0.597 203 P HA 0.131 nan 4.420 nan 0.000 0.267 203 P C 0.229 177.536 177.300 0.011 0.000 1.205 203 P CA 0.355 63.477 63.100 0.036 0.000 0.765 203 P CB 0.347 32.081 31.700 0.058 0.000 0.828 204 T N 0.076 114.630 114.554 -0.000 0.000 2.788 204 T HA 0.152 4.492 4.350 -0.016 0.000 0.287 204 T C 1.742 176.435 174.700 -0.010 0.000 1.007 204 T CA -0.758 61.337 62.100 -0.008 0.000 1.005 204 T CB 0.300 69.161 68.868 -0.011 0.000 1.012 204 T HN 0.152 nan 8.240 nan 0.000 0.530 205 M N 0.488 120.083 119.600 -0.008 0.000 2.106 205 M HA -0.112 4.358 4.480 -0.016 0.000 0.259 205 M C 2.196 178.485 176.300 -0.019 0.000 1.068 205 M CA 1.924 57.222 55.300 -0.003 0.000 1.100 205 M CB -1.188 31.413 32.600 0.001 0.000 1.351 205 M HN 0.736 nan 8.290 nan 0.000 0.404 206 K N -0.349 120.038 120.400 -0.023 0.000 2.097 206 K HA -0.160 4.151 4.320 -0.016 0.000 0.206 206 K C 2.014 178.582 176.600 -0.054 0.000 1.049 206 K CA 1.091 57.358 56.287 -0.033 0.000 0.933 206 K CB -0.107 32.378 32.500 -0.024 0.000 0.717 206 K HN 0.483 nan 8.250 nan 0.000 0.442 207 Q N -0.080 119.690 119.800 -0.050 0.000 2.297 207 Q HA -0.100 4.231 4.340 -0.016 0.000 0.204 207 Q C 1.587 177.515 176.000 -0.121 0.000 0.962 207 Q CA 0.799 56.564 55.803 -0.063 0.000 0.879 207 Q CB 0.234 28.953 28.738 -0.032 0.000 0.947 207 Q HN 0.157 nan 8.270 nan 0.000 0.462 208 L N -1.311 119.831 121.223 -0.135 0.000 2.515 208 L HA 0.121 4.451 4.340 -0.016 0.000 0.202 208 L C 0.171 176.807 176.870 -0.390 0.000 1.056 208 L CA 0.500 55.187 54.840 -0.255 0.000 0.847 208 L CB 0.850 42.873 42.059 -0.061 0.000 1.131 208 L HN -0.215 nan 8.230 nan 0.000 0.484 209 V N 1.327 121.145 119.914 -0.161 0.000 2.372 209 V HA 0.108 4.218 4.120 -0.016 0.000 0.261 209 V C 1.131 177.160 176.094 -0.108 0.000 1.055 209 V CA -0.078 62.161 62.300 -0.101 0.000 0.930 209 V CB 0.633 32.479 31.823 0.039 0.000 1.031 209 V HN 0.289 nan 8.190 nan 0.000 0.479 210 K N 3.572 123.886 120.400 -0.144 0.000 2.167 210 K HA 0.142 4.452 4.320 -0.016 0.000 0.203 210 K C 0.657 177.241 176.600 -0.027 0.000 1.052 210 K CA 0.792 57.025 56.287 -0.090 0.000 0.956 210 K CB 0.203 32.642 32.500 -0.102 0.000 0.735 210 K HN 0.457 nan 8.250 nan 0.000 0.451 211 R N 1.118 121.622 120.500 0.007 0.000 2.402 211 R HA 0.136 4.467 4.340 -0.016 0.000 0.290 211 R C -2.198 174.128 176.300 0.044 0.000 1.321 211 R CA -1.343 54.774 56.100 0.030 0.000 1.283 211 R CB 1.216 31.544 30.300 0.046 0.000 1.111 211 R HN -0.001 nan 8.270 nan 0.000 0.578 212 P HA -0.168 nan 4.420 nan 0.000 0.233 212 P C 0.763 178.087 177.300 0.039 0.000 1.167 212 P CA 0.941 64.064 63.100 0.037 0.000 0.770 212 P CB 0.428 32.141 31.700 0.022 0.000 0.837 213 E N 1.240 121.462 120.200 0.036 0.000 2.347 213 E HA -0.160 4.180 4.350 -0.016 0.000 0.196 213 E C 1.239 177.866 176.600 0.045 0.000 1.008 213 E CA 0.951 57.372 56.400 0.035 0.000 0.852 213 E CB -0.617 29.100 29.700 0.029 0.000 0.783 213 E HN 0.338 nan 8.360 nan 0.000 0.505 214 E N 0.640 120.874 120.200 0.057 0.000 2.435 214 E HA 0.130 4.471 4.350 -0.016 0.000 0.195 214 E C 0.376 177.019 176.600 0.071 0.000 1.029 214 E CA -0.193 56.247 56.400 0.067 0.000 0.865 214 E CB 0.141 29.889 29.700 0.080 0.000 0.833 214 E HN 0.232 nan 8.360 nan 0.000 0.510 215 L N 1.146 122.411 121.223 0.071 0.000 2.453 215 L HA 0.104 4.434 4.340 -0.016 0.000 0.272 215 L C 0.958 177.865 176.870 0.061 0.000 1.182 215 L CA -0.314 54.571 54.840 0.074 0.000 0.858 215 L CB 0.600 42.700 42.059 0.070 0.000 1.120 215 L HN 0.044 nan 8.230 nan 0.000 0.474 216 G N 2.947 111.788 108.800 0.068 0.000 2.702 216 G HA2 0.547 4.497 3.960 -0.016 0.000 0.254 216 G HA3 0.547 4.497 3.960 -0.016 0.000 0.254 216 G C -2.541 172.387 174.900 0.048 0.000 1.380 216 G CA -0.807 44.329 45.100 0.060 0.000 1.042 216 G HN 0.459 nan 8.290 nan 0.000 0.557 217 P HA 0.067 nan 4.420 nan 0.000 0.271 217 P C -0.628 176.672 177.300 0.001 0.000 1.216 217 P CA -0.210 62.895 63.100 0.008 0.000 0.771 217 P CB 0.740 32.436 31.700 -0.006 0.000 0.864 218 N N 2.952 121.644 118.700 -0.014 0.000 3.050 218 N HA 0.004 4.734 4.740 -0.016 0.000 0.289 218 N C 0.790 176.245 175.510 -0.091 0.000 1.209 218 N CA -0.201 52.842 53.050 -0.012 0.000 1.154 218 N CB 0.125 38.610 38.487 -0.003 0.000 1.444 218 N HN 0.292 nan 8.380 nan 0.000 0.529 219 K N 0.784 121.062 120.400 -0.204 0.000 2.228 219 K HA -0.006 4.305 4.320 -0.016 0.000 0.202 219 K C -0.342 175.859 176.600 -0.665 0.000 1.051 219 K CA 0.893 56.862 56.287 -0.531 0.000 0.960 219 K CB 0.302 32.298 32.500 -0.840 0.000 0.743 219 K HN 0.289 nan 8.250 nan 0.000 0.458 220 F N 1.523 121.535 119.950 0.103 0.000 2.564 220 F HA 0.310 4.830 4.527 -0.013 0.000 0.368 220 F C -2.526 173.372 175.800 0.163 0.000 1.127 220 F CA -3.197 54.910 58.000 0.177 0.000 1.170 220 F CB 0.848 39.968 39.000 0.199 0.000 1.397 220 F HN -0.246 nan 8.300 nan 0.000 0.493 221 P HA 0.177 nan 4.420 nan 0.000 0.271 221 P C 0.546 177.681 177.300 -0.275 0.000 1.216 221 P CA -0.050 63.025 63.100 -0.042 0.000 0.771 221 P CB 0.897 32.577 31.700 -0.033 0.000 0.864 222 G N 1.556 109.857 108.800 -0.831 0.000 2.539 222 G HA2 0.538 4.488 3.960 -0.016 0.000 0.258 222 G HA3 0.538 4.488 3.960 -0.016 0.000 0.258 222 G C -0.026 174.540 174.900 -0.557 0.000 1.202 222 G CA 0.050 44.232 45.100 -1.530 0.000 0.851 222 G HN 0.810 nan 8.290 nan 0.000 0.556 223 G N -0.520 108.076 108.800 -0.339 0.000 2.375 223 G HA2 -0.028 3.922 3.960 -0.016 0.000 0.663 223 G HA3 -0.028 3.922 3.960 -0.016 0.000 0.663 223 G C 0.354 175.290 174.900 0.060 0.000 1.391 223 G CA 0.350 45.381 45.100 -0.115 0.000 0.949 223 G HN 0.741 nan 8.290 nan 0.000 0.646 224 E N -0.450 119.774 120.200 0.041 0.000 2.077 224 E HA -0.141 4.199 4.350 -0.016 0.000 0.193 224 E C 2.400 179.018 176.600 0.029 0.000 0.989 224 E CA 2.073 58.531 56.400 0.096 0.000 0.800 224 E CB -0.120 29.641 29.700 0.103 0.000 0.746 224 E HN 0.572 nan 8.360 nan 0.000 0.452 225 T N 0.727 115.271 114.554 -0.017 0.000 2.652 225 T HA -0.226 4.114 4.350 -0.016 0.000 0.267 225 T C 1.748 176.395 174.700 -0.089 0.000 1.039 225 T CA 1.751 63.819 62.100 -0.052 0.000 1.153 225 T CB -0.341 68.494 68.868 -0.055 0.000 0.863 225 T HN 0.223 nan 8.240 nan 0.000 0.428 226 E N 1.292 121.439 120.200 -0.088 0.000 2.110 226 E HA -0.009 4.331 4.350 -0.016 0.000 0.193 226 E C 2.212 178.596 176.600 -0.360 0.000 0.988 226 E CA 1.177 57.487 56.400 -0.150 0.000 0.804 226 E CB -0.563 29.113 29.700 -0.041 0.000 0.745 226 E HN 0.440 nan 8.360 nan 0.000 0.458 227 A N 0.573 123.159 122.820 -0.390 0.000 1.865 227 A HA -0.186 4.124 4.320 -0.016 0.000 0.217 227 A C 2.287 179.670 177.584 -0.335 0.000 1.191 227 A CA 1.747 53.463 52.037 -0.535 0.000 0.623 227 A CB -0.899 18.038 19.000 -0.105 0.000 0.826 227 A HN 0.341 nan 8.150 nan 0.000 0.444 228 L N -1.198 119.900 121.223 -0.209 0.000 2.017 228 L HA -0.177 4.153 4.340 -0.016 0.000 0.208 228 L C 2.823 179.590 176.870 -0.171 0.000 1.073 228 L CA 1.712 56.437 54.840 -0.193 0.000 0.745 228 L CB -0.585 41.361 42.059 -0.189 0.000 0.894 228 L HN 0.439 nan 8.230 nan 0.000 0.432 229 R N 0.695 121.096 120.500 -0.165 0.000 2.083 229 R HA -0.219 4.111 4.340 -0.016 0.000 0.237 229 R C 2.469 178.678 176.300 -0.151 0.000 1.137 229 R CA 1.912 57.929 56.100 -0.138 0.000 0.951 229 R CB -0.210 30.016 30.300 -0.122 0.000 0.851 229 R HN 0.250 nan 8.270 nan 0.000 0.434 230 R N 0.032 120.402 120.500 -0.216 0.000 2.115 230 R HA -0.078 4.253 4.340 -0.016 0.000 0.230 230 R C 2.421 178.611 176.300 -0.184 0.000 1.111 230 R CA 1.399 57.371 56.100 -0.215 0.000 0.976 230 R CB -0.169 29.941 30.300 -0.317 0.000 0.870 230 R HN 0.277 nan 8.270 nan 0.000 0.445 231 M N 0.519 120.000 119.600 -0.199 0.000 2.077 231 M HA -0.159 4.311 4.480 -0.016 0.000 0.261 231 M C 1.460 177.740 176.300 -0.034 0.000 1.070 231 M CA 1.711 56.936 55.300 -0.125 0.000 1.125 231 M CB -0.013 32.507 32.600 -0.133 0.000 1.339 231 M HN 0.081 nan 8.290 nan 0.000 0.409 232 E N 0.214 120.380 120.200 -0.056 0.000 2.118 232 E HA -0.257 4.084 4.350 -0.016 0.000 0.195 232 E C 1.763 178.341 176.600 -0.037 0.000 0.992 232 E CA 1.474 57.853 56.400 -0.034 0.000 0.804 232 E CB -0.437 29.232 29.700 -0.051 0.000 0.741 232 E HN 0.571 nan 8.360 nan 0.000 0.458 233 E N 0.799 120.959 120.200 -0.065 0.000 2.106 233 E HA -0.078 4.262 4.350 -0.016 0.000 0.192 233 E C 1.967 178.513 176.600 -0.089 0.000 0.984 233 E CA 1.283 57.636 56.400 -0.079 0.000 0.806 233 E CB -0.077 29.565 29.700 -0.097 0.000 0.750 233 E HN -0.006 nan 8.360 nan 0.000 0.458 234 S N -0.407 115.252 115.700 -0.070 0.000 2.436 234 S HA 0.046 4.506 4.470 -0.016 0.000 0.228 234 S C 1.507 176.148 174.600 0.069 0.000 1.014 234 S CA 0.578 58.744 58.200 -0.056 0.000 0.950 234 S CB -0.014 63.195 63.200 0.014 0.000 0.784 234 S HN 0.267 nan 8.310 nan 0.000 0.504 235 L N 1.004 122.279 121.223 0.087 0.000 2.592 235 L HA 0.220 4.551 4.340 -0.016 0.000 0.227 235 L C 2.107 179.021 176.870 0.073 0.000 1.127 235 L CA 0.158 55.069 54.840 0.118 0.000 0.884 235 L CB -0.168 41.956 42.059 0.108 0.000 1.065 235 L HN 0.197 nan 8.230 nan 0.000 0.457 236 K N 0.797 121.215 120.400 0.030 0.000 1.985 236 K HA -0.176 4.134 4.320 -0.016 0.000 0.210 236 K C 0.598 177.222 176.600 0.039 0.000 1.047 236 K CA 1.279 57.574 56.287 0.013 0.000 0.932 236 K CB 0.106 32.592 32.500 -0.024 0.000 0.716 236 K HN 0.071 nan 8.250 nan 0.000 0.439 237 D N 1.413 121.844 120.400 0.052 0.000 2.402 237 D HA 0.004 4.634 4.640 -0.016 0.000 0.235 237 D C 0.251 176.670 176.300 0.198 0.000 1.226 237 D CA 0.298 54.364 54.000 0.111 0.000 0.918 237 D CB 0.807 41.669 40.800 0.103 0.000 1.043 237 D HN 0.170 nan 8.370 nan 0.000 0.506 238 E N 2.987 123.270 120.200 0.140 0.000 2.204 238 E HA -0.118 4.222 4.350 -0.016 0.000 0.194 238 E C 1.714 178.403 176.600 0.149 0.000 0.989 238 E CA 0.393 56.871 56.400 0.131 0.000 0.824 238 E CB 0.354 30.100 29.700 0.076 0.000 0.756 238 E HN 0.573 nan 8.360 nan 0.000 0.477 239 I N 0.020 120.685 120.570 0.158 0.000 2.226 239 I HA -0.240 3.920 4.170 -0.016 0.000 0.245 239 I C 2.210 178.452 176.117 0.207 0.000 1.100 239 I CA 1.176 62.569 61.300 0.154 0.000 1.374 239 I CB -1.205 36.876 38.000 0.135 0.000 1.057 239 I HN 0.322 nan 8.210 nan 0.000 0.413 240 W N 1.686 123.037 121.300 0.086 0.000 2.358 240 W HA -0.173 4.479 4.660 -0.012 0.000 0.303 240 W C 2.500 179.123 176.519 0.173 0.000 1.208 240 W CA 1.627 59.047 57.345 0.125 0.000 1.274 240 W CB -0.324 29.206 29.460 0.117 0.000 1.138 240 W HN -0.169 nan 8.180 nan 0.000 0.515 241 V N 1.199 121.312 119.914 0.331 0.000 2.295 241 V HA -0.308 3.802 4.120 -0.016 0.000 0.246 241 V C 2.496 178.609 176.094 0.032 0.000 1.049 241 V CA 2.284 64.668 62.300 0.139 0.000 1.024 241 V CB -1.722 30.213 31.823 0.186 0.000 0.648 241 V HN 0.321 nan 8.190 nan 0.000 0.447 242 A N 0.065 122.928 122.820 0.071 0.000 1.877 242 A HA -0.198 4.112 4.320 -0.016 0.000 0.216 242 A C 2.238 179.880 177.584 0.096 0.000 1.186 242 A CA 1.731 53.818 52.037 0.084 0.000 0.620 242 A CB -0.428 18.634 19.000 0.104 0.000 0.822 242 A HN 0.538 nan 8.150 nan 0.000 0.443 243 R N -1.786 118.742 120.500 0.047 0.000 2.334 243 R HA 0.190 4.520 4.340 -0.016 0.000 0.220 243 R C -0.292 175.966 176.300 -0.070 0.000 0.917 243 R CA -0.479 55.623 56.100 0.004 0.000 1.073 243 R CB -0.277 30.021 30.300 -0.003 0.000 1.056 243 R HN 0.476 nan 8.270 nan 0.000 0.506 244 F N 2.794 122.582 119.950 -0.271 0.000 2.569 244 F HA -0.079 4.438 4.527 -0.017 0.000 0.395 244 F C -0.080 175.602 175.800 -0.197 0.000 1.028 244 F CA 0.520 58.284 58.000 -0.393 0.000 1.158 244 F CB 0.276 38.964 39.000 -0.519 0.000 1.023 244 F HN -0.018 nan 8.300 nan 0.000 0.547 245 E N 5.342 125.131 120.200 -0.684 0.000 2.191 245 E HA 0.132 4.472 4.350 -0.016 0.000 0.263 245 E C 0.371 176.558 176.600 -0.688 0.000 0.881 245 E CA -0.804 55.309 56.400 -0.477 0.000 0.757 245 E CB 1.955 31.509 29.700 -0.243 0.000 1.147 245 E HN 0.501 nan 8.360 nan 0.000 0.414 246 K N 3.448 123.556 120.400 -0.487 0.000 2.032 246 K HA -0.099 4.211 4.320 -0.016 0.000 0.209 246 K C -1.039 175.434 176.600 -0.212 0.000 1.048 246 K CA 1.699 57.777 56.287 -0.347 0.000 0.927 246 K CB -0.752 31.691 32.500 -0.096 0.000 0.712 246 K HN 0.283 nan 8.250 nan 0.000 0.441 247 P HA -0.044 nan 4.420 nan 0.000 0.220 247 P C 0.094 177.338 177.300 -0.095 0.000 1.148 247 P CA 1.091 64.140 63.100 -0.085 0.000 0.803 247 P CB -0.013 31.657 31.700 -0.049 0.000 0.782 248 N N -1.253 117.355 118.700 -0.153 0.000 2.459 248 N HA -0.049 4.682 4.740 -0.016 0.000 0.181 248 N C 0.389 175.825 175.510 -0.124 0.000 1.046 248 N CA 0.772 53.737 53.050 -0.140 0.000 0.904 248 N CB -1.050 37.338 38.487 -0.166 0.000 0.964 248 N HN 0.266 nan 8.380 nan 0.000 0.444 249 T N -1.281 113.199 114.554 -0.124 0.000 2.851 249 T HA 0.583 4.923 4.350 -0.016 0.000 0.298 249 T C 0.330 174.955 174.700 -0.126 0.000 0.977 249 T CA -1.011 61.072 62.100 -0.029 0.000 1.126 249 T CB 1.389 70.355 68.868 0.164 0.000 0.916 249 T HN 0.166 nan 8.240 nan 0.000 0.529 250 A N 5.266 127.975 122.820 -0.184 0.000 2.440 250 A HA 0.513 4.823 4.320 -0.016 0.000 0.251 250 A C -1.009 176.170 177.584 -0.675 0.000 1.089 250 A CA -1.584 50.273 52.037 -0.301 0.000 0.779 250 A CB 0.154 19.057 19.000 -0.162 0.000 1.022 250 A HN 0.754 nan 8.150 nan 0.000 0.492 251 P HA -0.015 nan 4.420 nan 0.000 0.230 251 P C 0.128 177.180 177.300 -0.412 0.000 1.168 251 P CA 0.848 63.626 63.100 -0.538 0.000 0.793 251 P CB 0.106 31.754 31.700 -0.086 0.000 0.851 252 N N -0.820 117.662 118.700 -0.365 0.000 2.416 252 N HA 0.052 4.782 4.740 -0.016 0.000 0.267 252 N C -0.386 175.045 175.510 -0.132 0.000 1.294 252 N CA -0.478 52.232 53.050 -0.567 0.000 0.891 252 N CB -0.584 37.661 38.487 -0.404 0.000 1.238 252 N HN -0.083 nan 8.380 nan 0.000 0.508 253 S N -0.427 115.255 115.700 -0.031 0.000 2.545 253 S HA 0.339 4.799 4.470 -0.016 0.000 0.275 253 S C 1.343 176.084 174.600 0.235 0.000 1.299 253 S CA -0.859 57.408 58.200 0.111 0.000 1.048 253 S CB 1.136 64.382 63.200 0.075 0.000 0.938 253 S HN 0.194 nan 8.310 nan 0.000 0.496 254 L N 0.486 121.860 121.223 0.252 0.000 2.013 254 L HA -0.055 4.276 4.340 -0.016 0.000 0.212 254 L C 0.935 177.948 176.870 0.239 0.000 1.073 254 L CA 1.284 56.288 54.840 0.273 0.000 0.753 254 L CB -0.386 41.764 42.059 0.152 0.000 0.890 254 L HN 0.649 nan 8.230 nan 0.000 0.432 255 E N -0.140 120.160 120.200 0.166 0.000 2.197 255 E HA 0.293 4.633 4.350 -0.016 0.000 0.281 255 E C -2.131 174.577 176.600 0.180 0.000 0.995 255 E CA -2.545 53.943 56.400 0.146 0.000 0.808 255 E CB 0.731 30.474 29.700 0.072 0.000 1.093 255 E HN -0.059 nan 8.360 nan 0.000 0.394 256 P HA -0.081 nan 4.420 nan 0.000 0.261 256 P C 0.707 178.159 177.300 0.254 0.000 1.173 256 P CA 0.511 63.779 63.100 0.279 0.000 0.760 256 P CB 0.460 32.242 31.700 0.135 0.000 0.783 257 S N 0.809 116.714 115.700 0.342 0.000 2.527 257 S HA 0.008 4.468 4.470 -0.016 0.000 0.222 257 S C 0.866 175.824 174.600 0.596 0.000 0.985 257 S CA 0.634 59.055 58.200 0.368 0.000 0.921 257 S CB -0.690 62.657 63.200 0.246 0.000 0.772 257 S HN 0.588 nan 8.310 nan 0.000 0.529 258 T N -1.121 113.792 114.554 0.597 0.000 2.870 258 T HA 0.492 4.832 4.350 -0.016 0.000 0.277 258 T C 1.356 176.269 174.700 0.356 0.000 1.000 258 T CA 0.049 62.537 62.100 0.646 0.000 0.982 258 T CB 0.848 70.070 68.868 0.591 0.000 1.249 258 T HN 0.181 nan 8.240 nan 0.000 0.589 259 T N -1.685 113.037 114.554 0.280 0.000 2.904 259 T HA 0.007 4.347 4.350 -0.016 0.000 0.267 259 T C 1.122 175.769 174.700 -0.087 0.000 1.059 259 T CA 0.720 62.873 62.100 0.087 0.000 1.137 259 T CB -1.039 67.878 68.868 0.082 0.000 0.879 259 T HN 1.321 nan 8.240 nan 0.000 0.467 260 V N 1.063 120.878 119.914 -0.165 0.000 6.078 260 V HA -0.156 3.954 4.120 -0.016 0.000 0.301 260 V C 0.858 176.812 176.094 -0.234 0.000 0.571 260 V CA 0.853 62.863 62.300 -0.482 0.000 0.625 260 V CB -2.591 28.591 31.823 -1.068 0.000 0.271 260 V HN 0.629 nan 8.190 nan 0.000 0.788 261 L N 0.402 121.563 121.223 -0.104 0.000 2.693 261 L HA 0.090 4.420 4.340 -0.016 0.000 0.235 261 L C 2.202 179.118 176.870 0.077 0.000 1.127 261 L CA 0.865 55.696 54.840 -0.016 0.000 0.914 261 L CB 0.608 42.486 42.059 -0.302 0.000 1.193 261 L HN 0.715 nan 8.230 nan 0.000 0.502 262 S N 0.330 116.050 115.700 0.033 0.000 2.382 262 S HA -0.050 4.410 4.470 -0.016 0.000 0.228 262 S C -0.619 173.973 174.600 -0.014 0.000 1.027 262 S CA 0.809 59.040 58.200 0.051 0.000 0.991 262 S CB -1.461 61.807 63.200 0.113 0.000 0.823 262 S HN 0.208 nan 8.310 nan 0.000 0.469 263 P HA -0.007 nan 4.420 nan 0.000 0.217 263 P C 0.755 177.918 177.300 -0.229 0.000 1.151 263 P CA 1.023 63.884 63.100 -0.398 0.000 0.828 263 P CB -0.255 30.945 31.700 -0.833 0.000 0.788 264 Y N -1.173 119.188 120.300 0.102 0.000 2.439 264 Y HA 0.004 4.544 4.550 -0.017 0.000 0.292 264 Y C 2.203 178.199 175.900 0.160 0.000 1.130 264 Y CA 0.611 58.850 58.100 0.232 0.000 1.254 264 Y CB -1.004 37.548 38.460 0.154 0.000 1.000 264 Y HN -0.134 nan 8.280 nan 0.000 0.554 265 L N -0.089 121.257 121.223 0.205 0.000 2.209 265 L HA -0.091 4.239 4.340 -0.016 0.000 0.207 265 L C 2.605 179.563 176.870 0.147 0.000 1.094 265 L CA 0.772 55.687 54.840 0.125 0.000 0.790 265 L CB -0.318 41.778 42.059 0.062 0.000 0.932 265 L HN 0.083 nan 8.230 nan 0.000 0.447 266 K N 0.915 121.384 120.400 0.114 0.000 2.025 266 K HA -0.170 4.140 4.320 -0.016 0.000 0.207 266 K C 1.966 178.610 176.600 0.074 0.000 1.049 266 K CA 1.818 58.146 56.287 0.068 0.000 0.933 266 K CB -0.227 32.177 32.500 -0.161 0.000 0.714 266 K HN 0.197 nan 8.250 nan 0.000 0.438 267 F N 0.185 120.225 119.950 0.151 0.000 2.615 267 F HA 0.111 4.628 4.527 -0.016 0.000 0.297 267 F C 1.380 177.324 175.800 0.240 0.000 1.124 267 F CA 0.831 58.939 58.000 0.180 0.000 1.451 267 F CB 0.294 39.398 39.000 0.174 0.000 1.103 267 F HN 0.415 nan 8.300 nan 0.000 0.569 268 G N -0.639 108.411 108.800 0.417 0.000 2.171 268 G HA2 -0.282 3.668 3.960 -0.016 0.000 0.238 268 G HA3 -0.282 3.668 3.960 -0.016 0.000 0.238 268 G C 0.710 175.771 174.900 0.269 0.000 1.039 268 G CA 0.172 45.475 45.100 0.338 0.000 0.759 268 G HN 0.413 nan 8.290 nan 0.000 0.501 269 C N -1.062 118.429 119.300 0.318 0.000 2.464 269 C HA 0.457 4.907 4.460 -0.016 0.000 0.278 269 C C 1.092 176.260 174.990 0.298 0.000 1.375 269 C CA 0.829 60.020 59.018 0.288 0.000 1.761 269 C CB -0.756 27.219 27.740 0.391 0.000 1.944 269 C HN 0.661 nan 8.230 nan 0.000 0.509 270 L N 0.334 121.724 121.223 0.278 0.000 2.362 270 L HA 0.486 4.816 4.340 -0.016 0.000 0.275 270 L C -0.037 176.964 176.870 0.219 0.000 0.998 270 L CA 0.084 55.086 54.840 0.269 0.000 0.820 270 L CB 1.402 43.521 42.059 0.101 0.000 1.270 270 L HN -0.072 nan 8.230 nan 0.000 0.415 271 S N 3.461 119.364 115.700 0.339 0.000 2.481 271 S HA 0.451 4.911 4.470 -0.016 0.000 0.276 271 S C 1.331 176.030 174.600 0.166 0.000 1.247 271 S CA 0.070 58.375 58.200 0.176 0.000 1.053 271 S CB 0.904 64.209 63.200 0.176 0.000 0.925 271 S HN 0.904 nan 8.310 nan 0.000 0.491 272 A N 6.197 129.071 122.820 0.091 0.000 1.972 272 A HA -0.083 4.227 4.320 -0.016 0.000 0.219 272 A C 2.181 179.832 177.584 0.112 0.000 1.169 272 A CA 1.267 53.380 52.037 0.127 0.000 0.635 272 A CB -0.345 18.675 19.000 0.034 0.000 0.810 272 A HN 0.930 nan 8.150 nan 0.000 0.446 273 R N -1.104 119.424 120.500 0.047 0.000 2.073 273 R HA -0.094 4.236 4.340 -0.016 0.000 0.234 273 R C 2.125 178.451 176.300 0.044 0.000 1.134 273 R CA 1.468 57.571 56.100 0.006 0.000 0.952 273 R CB -0.562 29.728 30.300 -0.017 0.000 0.850 273 R HN 0.497 nan 8.270 nan 0.000 0.433 274 L N 0.029 121.315 121.223 0.105 0.000 2.027 274 L HA -0.116 4.214 4.340 -0.016 0.000 0.206 274 L C 2.024 178.978 176.870 0.140 0.000 1.074 274 L CA 1.578 56.486 54.840 0.113 0.000 0.745 274 L CB -0.528 41.624 42.059 0.155 0.000 0.898 274 L HN 0.040 nan 8.230 nan 0.000 0.433 275 F N 0.717 120.674 119.950 0.012 0.000 2.126 275 F HA -0.250 4.268 4.527 -0.016 0.000 0.299 275 F C 2.384 178.182 175.800 -0.004 0.000 1.096 275 F CA 1.892 59.892 58.000 0.001 0.000 1.255 275 F CB -0.744 38.264 39.000 0.014 0.000 0.997 275 F HN 0.355 nan 8.300 nan 0.000 0.479 276 N N 0.189 118.858 118.700 -0.053 0.000 2.084 276 N HA -0.236 4.494 4.740 -0.016 0.000 0.190 276 N C 1.985 177.420 175.510 -0.126 0.000 1.030 276 N CA 1.719 54.684 53.050 -0.142 0.000 0.849 276 N CB -0.459 37.989 38.487 -0.065 0.000 1.012 276 N HN 0.528 nan 8.380 nan 0.000 0.423 277 Q N -0.292 119.469 119.800 -0.065 0.000 2.124 277 Q HA -0.099 4.231 4.340 -0.016 0.000 0.202 277 Q C 1.507 177.470 176.000 -0.061 0.000 0.977 277 Q CA 1.097 56.868 55.803 -0.052 0.000 0.850 277 Q CB 0.104 28.829 28.738 -0.022 0.000 0.901 277 Q HN 0.236 nan 8.270 nan 0.000 0.429 278 K N 0.249 120.615 120.400 -0.056 0.000 2.097 278 K HA -0.096 4.215 4.320 -0.016 0.000 0.205 278 K C 2.108 178.645 176.600 -0.105 0.000 1.050 278 K CA 0.783 57.040 56.287 -0.051 0.000 0.938 278 K CB -0.169 32.339 32.500 0.013 0.000 0.718 278 K HN 0.299 nan 8.250 nan 0.000 0.442 279 L N 0.873 121.970 121.223 -0.210 0.000 2.056 279 L HA -0.169 4.161 4.340 -0.016 0.000 0.207 279 L C 2.394 179.167 176.870 -0.162 0.000 1.078 279 L CA 1.296 55.992 54.840 -0.240 0.000 0.749 279 L CB -0.285 41.534 42.059 -0.399 0.000 0.901 279 L HN 0.112 nan 8.230 nan 0.000 0.433 280 K N 0.049 120.366 120.400 -0.139 0.000 2.063 280 K HA -0.207 4.103 4.320 -0.016 0.000 0.208 280 K C 2.005 178.545 176.600 -0.100 0.000 1.048 280 K CA 1.564 57.784 56.287 -0.112 0.000 0.928 280 K CB -0.096 32.354 32.500 -0.084 0.000 0.713 280 K HN 0.334 nan 8.250 nan 0.000 0.442 281 E N 0.558 120.710 120.200 -0.079 0.000 2.077 281 E HA -0.183 4.157 4.350 -0.016 0.000 0.193 281 E C 2.004 178.567 176.600 -0.061 0.000 0.989 281 E CA 1.116 57.480 56.400 -0.059 0.000 0.800 281 E CB -0.100 29.575 29.700 -0.042 0.000 0.746 281 E HN 0.296 nan 8.360 nan 0.000 0.452 282 I N 0.935 121.465 120.570 -0.066 0.000 2.252 282 I HA -0.243 3.917 4.170 -0.016 0.000 0.245 282 I C 2.180 178.247 176.117 -0.083 0.000 1.102 282 I CA 0.510 61.779 61.300 -0.051 0.000 1.385 282 I CB -0.189 37.792 38.000 -0.032 0.000 1.064 282 I HN 0.139 nan 8.210 nan 0.000 0.414 283 I N 1.279 121.760 120.570 -0.148 0.000 2.194 283 I HA -0.297 3.863 4.170 -0.016 0.000 0.246 283 I C 2.325 178.292 176.117 -0.249 0.000 1.093 283 I CA 1.826 62.949 61.300 -0.295 0.000 1.355 283 I CB -1.128 36.627 38.000 -0.408 0.000 1.046 283 I HN 0.278 nan 8.210 nan 0.000 0.413 284 K N 0.170 120.480 120.400 -0.150 0.000 2.283 284 K HA -0.081 4.229 4.320 -0.016 0.000 0.202 284 K C 1.890 178.463 176.600 -0.044 0.000 1.048 284 K CA 0.761 56.997 56.287 -0.086 0.000 0.948 284 K CB -0.050 32.413 32.500 -0.061 0.000 0.742 284 K HN 0.292 nan 8.250 nan 0.000 0.458 285 R N 0.037 120.513 120.500 -0.040 0.000 2.334 285 R HA 0.115 4.446 4.340 -0.016 0.000 0.216 285 R C -0.065 176.239 176.300 0.006 0.000 0.905 285 R CA 0.153 56.246 56.100 -0.011 0.000 1.064 285 R CB 0.601 30.896 30.300 -0.008 0.000 1.046 285 R HN 0.028 nan 8.270 nan 0.000 0.508 286 Q N -0.060 119.742 119.800 0.003 0.000 2.320 286 Q HA 0.223 4.553 4.340 -0.016 0.000 0.268 286 Q C -2.179 173.891 176.000 0.116 0.000 1.023 286 Q CA -1.934 53.898 55.803 0.048 0.000 0.744 286 Q CB 2.204 30.973 28.738 0.052 0.000 1.246 286 Q HN -0.067 nan 8.270 nan 0.000 0.462 287 P HA -0.090 nan 4.420 nan 0.000 0.212 287 P C -0.347 177.044 177.300 0.152 0.000 1.180 287 P CA 1.031 64.210 63.100 0.131 0.000 0.902 287 P CB 0.388 32.129 31.700 0.067 0.000 0.778 288 K N 0.548 121.001 120.400 0.089 0.000 2.228 288 K HA 0.154 4.464 4.320 -0.016 0.000 0.284 288 K C -0.117 176.536 176.600 0.088 0.000 1.088 288 K CA -0.046 56.263 56.287 0.037 0.000 0.941 288 K CB -0.564 31.949 32.500 0.023 0.000 1.158 288 K HN 0.462 nan 8.250 nan 0.000 0.438 289 H N -1.226 117.850 119.070 0.009 0.000 2.851 289 H HA 0.397 4.944 4.556 -0.016 0.000 0.372 289 H C -0.666 174.668 175.328 0.010 0.000 1.158 289 H CA -1.156 54.898 56.048 0.010 0.000 1.159 289 H CB 1.137 30.905 29.762 0.010 0.000 1.757 289 H HN 0.280 nan 8.280 nan 0.000 0.546 290 S N 2.616 118.370 115.700 0.090 0.000 2.580 290 S HA 0.264 4.724 4.470 -0.016 0.000 0.274 290 S C -0.272 174.397 174.600 0.114 0.000 1.329 290 S CA -0.984 57.242 58.200 0.044 0.000 1.036 290 S CB 1.072 64.301 63.200 0.048 0.000 0.919 290 S HN 0.694 nan 8.310 nan 0.000 0.515 291 Q N 1.020 120.855 119.800 0.059 0.000 2.301 291 Q HA 0.493 4.823 4.340 -0.016 0.000 0.267 291 Q C -2.661 173.406 176.000 0.112 0.000 1.035 291 Q CA -2.344 53.515 55.803 0.092 0.000 0.856 291 Q CB 1.093 29.857 28.738 0.043 0.000 1.337 291 Q HN 0.455 nan 8.270 nan 0.000 0.450 292 P HA -0.024 nan 4.420 nan 0.000 0.267 292 P C -1.736 175.676 177.300 0.187 0.000 1.201 292 P CA -0.530 62.683 63.100 0.187 0.000 0.775 292 P CB 0.167 31.986 31.700 0.197 0.000 0.854 293 P HA -0.040 nan 4.420 nan 0.000 0.235 293 P C 1.115 178.563 177.300 0.247 0.000 1.177 293 P CA 0.660 63.868 63.100 0.179 0.000 0.785 293 P CB -0.107 31.576 31.700 -0.028 0.000 0.885 294 V N -1.514 118.496 119.914 0.160 0.000 2.970 294 V HA -0.047 4.063 4.120 -0.016 0.000 0.260 294 V C 1.274 177.464 176.094 0.160 0.000 1.100 294 V CA 0.763 63.127 62.300 0.107 0.000 1.122 294 V CB -1.892 29.944 31.823 0.021 0.000 0.721 294 V HN 0.173 nan 8.190 nan 0.000 0.483 295 S N -0.310 115.511 115.700 0.201 0.000 2.596 295 S HA 0.260 4.720 4.470 -0.016 0.000 0.260 295 S C 0.939 175.739 174.600 0.333 0.000 1.336 295 S CA 0.106 58.458 58.200 0.252 0.000 0.993 295 S CB 1.243 64.550 63.200 0.179 0.000 0.923 295 S HN 0.368 nan 8.310 nan 0.000 0.567 296 L N 0.509 121.882 121.223 0.250 0.000 2.093 296 L HA -0.005 4.325 4.340 -0.016 0.000 0.208 296 L C 2.218 179.087 176.870 -0.001 0.000 1.085 296 L CA 1.159 55.969 54.840 -0.049 0.000 0.755 296 L CB -0.392 41.433 42.059 -0.391 0.000 0.904 296 L HN 0.758 nan 8.230 nan 0.000 0.435 297 I N -0.929 119.640 120.570 -0.003 0.000 2.315 297 I HA -0.193 3.968 4.170 -0.016 0.000 0.248 297 I C 2.554 178.751 176.117 0.133 0.000 1.117 297 I CA 1.158 62.464 61.300 0.009 0.000 1.404 297 I CB -0.991 37.002 38.000 -0.011 0.000 1.071 297 I HN 0.279 nan 8.210 nan 0.000 0.419 298 G N 0.595 109.510 108.800 0.192 0.000 2.440 298 G HA2 -0.234 3.716 3.960 -0.016 0.000 0.218 298 G HA3 -0.234 3.716 3.960 -0.016 0.000 0.218 298 G C 1.589 176.736 174.900 0.412 0.000 1.154 298 G CA 0.488 45.758 45.100 0.284 0.000 0.767 298 G HN 0.292 nan 8.290 nan 0.000 0.552 299 Q N -0.220 119.824 119.800 0.407 0.000 2.124 299 Q HA -0.007 4.323 4.340 -0.016 0.000 0.202 299 Q C 2.555 178.796 176.000 0.403 0.000 0.977 299 Q CA 0.656 56.727 55.803 0.446 0.000 0.850 299 Q CB -0.712 28.208 28.738 0.303 0.000 0.901 299 Q HN 0.460 nan 8.270 nan 0.000 0.429 300 L N -0.030 121.376 121.223 0.305 0.000 2.201 300 L HA -0.050 4.280 4.340 -0.016 0.000 0.212 300 L C 2.001 179.051 176.870 0.300 0.000 1.105 300 L CA 1.185 56.195 54.840 0.283 0.000 0.775 300 L CB -0.278 41.906 42.059 0.209 0.000 0.913 300 L HN 0.131 nan 8.230 nan 0.000 0.440 301 M N -2.723 117.057 119.600 0.300 0.000 2.319 301 M HA -0.172 4.298 4.480 -0.016 0.000 0.265 301 M C 2.058 178.547 176.300 0.316 0.000 1.068 301 M CA 1.189 56.667 55.300 0.298 0.000 1.118 301 M CB -1.241 31.478 32.600 0.199 0.000 1.395 301 M HN 0.325 nan 8.290 nan 0.000 0.435 302 W N 0.711 122.232 121.300 0.368 0.000 2.358 302 W HA -0.145 4.506 4.660 -0.016 0.000 0.303 302 W C 2.732 179.441 176.519 0.317 0.000 1.208 302 W CA 1.211 58.735 57.345 0.297 0.000 1.274 302 W CB -0.442 29.112 29.460 0.157 0.000 1.138 302 W HN 0.227 nan 8.180 nan 0.000 0.515 303 R N 0.827 121.644 120.500 0.528 0.000 2.083 303 R HA -0.194 4.137 4.340 -0.016 0.000 0.237 303 R C 1.966 178.533 176.300 0.444 0.000 1.137 303 R CA 1.860 58.237 56.100 0.461 0.000 0.951 303 R CB -0.320 30.198 30.300 0.363 0.000 0.851 303 R HN 0.077 nan 8.270 nan 0.000 0.434 304 E N -0.076 120.336 120.200 0.353 0.000 2.150 304 E HA -0.205 4.135 4.350 -0.016 0.000 0.193 304 E C 1.712 178.359 176.600 0.079 0.000 0.985 304 E CA 0.947 57.554 56.400 0.345 0.000 0.814 304 E CB -0.334 29.672 29.700 0.510 0.000 0.752 304 E HN 0.359 nan 8.360 nan 0.000 0.466 305 F N 0.848 120.511 119.950 -0.477 0.000 2.113 305 F HA -0.212 4.305 4.527 -0.016 0.000 0.297 305 F C 2.003 177.409 175.800 -0.656 0.000 1.103 305 F CA 1.260 58.527 58.000 -1.222 0.000 1.248 305 F CB -0.522 37.796 39.000 -1.136 0.000 0.999 305 F HN -0.092 nan 8.300 nan 0.000 0.475 306 Y N -1.348 118.693 120.300 -0.431 0.000 2.352 306 Y HA -0.172 4.368 4.550 -0.016 0.000 0.292 306 Y C 2.284 177.893 175.900 -0.485 0.000 1.136 306 Y CA 1.596 59.374 58.100 -0.536 0.000 1.227 306 Y CB -1.168 37.152 38.460 -0.233 0.000 0.991 306 Y HN 0.129 nan 8.280 nan 0.000 0.545 307 Y N -0.321 119.911 120.300 -0.113 0.000 2.293 307 Y HA -0.228 4.312 4.550 -0.017 0.000 0.291 307 Y C 2.430 178.274 175.900 -0.092 0.000 1.137 307 Y CA 1.785 59.858 58.100 -0.045 0.000 1.202 307 Y CB -0.329 38.190 38.460 0.098 0.000 0.990 307 Y HN 0.040 nan 8.280 nan 0.000 0.537 308 T N -0.695 113.850 114.554 -0.015 0.000 2.732 308 T HA -0.158 4.182 4.350 -0.016 0.000 0.261 308 T C 2.115 176.763 174.700 -0.087 0.000 1.040 308 T CA 1.696 63.804 62.100 0.014 0.000 1.145 308 T CB -0.809 68.130 68.868 0.119 0.000 0.866 308 T HN 0.298 nan 8.240 nan 0.000 0.427 309 V N 1.033 120.753 119.914 -0.324 0.000 2.490 309 V HA 0.015 4.125 4.120 -0.016 0.000 0.250 309 V C 2.604 178.571 176.094 -0.212 0.000 1.061 309 V CA 1.451 63.593 62.300 -0.263 0.000 1.064 309 V CB -1.549 29.953 31.823 -0.536 0.000 0.670 309 V HN 0.436 nan 8.190 nan 0.000 0.461 310 A N 0.353 122.796 122.820 -0.629 0.000 2.067 310 A HA 0.370 4.680 4.320 -0.016 0.000 0.217 310 A C 2.400 179.976 177.584 -0.014 0.000 1.156 310 A CA 1.413 52.969 52.037 -0.802 0.000 0.683 310 A CB -0.683 17.482 19.000 -1.391 0.000 0.808 310 A HN 0.839 nan 8.150 nan 0.000 0.455 311 A N 0.050 122.904 122.820 0.055 0.000 1.933 311 A HA 0.179 4.489 4.320 -0.016 0.000 0.218 311 A C 2.402 180.093 177.584 0.177 0.000 1.175 311 A CA 1.923 54.057 52.037 0.161 0.000 0.628 311 A CB -0.729 18.363 19.000 0.153 0.000 0.814 311 A HN 0.872 nan 8.150 nan 0.000 0.444 312 A N -0.341 122.595 122.820 0.194 0.000 1.855 312 A HA 0.100 4.410 4.320 -0.016 0.000 0.213 312 A C 1.203 178.932 177.584 0.242 0.000 1.195 312 A CA 1.217 53.380 52.037 0.209 0.000 0.610 312 A CB -0.296 18.844 19.000 0.234 0.000 0.837 312 A HN 0.440 nan 8.150 nan 0.000 0.444 313 E N 0.801 121.211 120.200 0.351 0.000 2.152 313 E HA 0.253 4.594 4.350 -0.016 0.000 0.285 313 E C -1.878 175.002 176.600 0.467 0.000 1.043 313 E CA -2.328 54.306 56.400 0.389 0.000 0.839 313 E CB 1.107 31.133 29.700 0.542 0.000 1.069 313 E HN 0.210 nan 8.360 nan 0.000 0.399 314 P HA -0.009 nan 4.420 nan 0.000 0.231 314 P C -0.327 177.274 177.300 0.502 0.000 1.168 314 P CA 0.483 63.819 63.100 0.394 0.000 0.779 314 P CB 0.403 32.234 31.700 0.218 0.000 0.844 315 N N -0.463 118.491 118.700 0.423 0.000 2.378 315 N HA 0.083 4.813 4.740 -0.016 0.000 0.243 315 N C 0.653 176.427 175.510 0.439 0.000 1.137 315 N CA -0.322 52.961 53.050 0.387 0.000 0.862 315 N CB -1.122 37.510 38.487 0.240 0.000 1.116 315 N HN 0.064 nan 8.380 nan 0.000 0.499 316 F N 1.910 122.100 119.950 0.400 0.000 2.293 316 F HA -0.141 4.377 4.527 -0.016 0.000 0.300 316 F C 1.378 177.270 175.800 0.152 0.000 1.086 316 F CA 1.167 59.301 58.000 0.225 0.000 1.375 316 F CB 0.312 39.302 39.000 -0.017 0.000 1.045 316 F HN 0.094 nan 8.300 nan 0.000 0.516 317 D N -0.418 120.183 120.400 0.336 0.000 2.348 317 D HA -0.015 4.615 4.640 -0.016 0.000 0.211 317 D C 0.597 177.022 176.300 0.208 0.000 0.998 317 D CA 0.064 54.214 54.000 0.249 0.000 0.873 317 D CB -0.362 40.657 40.800 0.366 0.000 0.925 317 D HN 0.398 nan 8.370 nan 0.000 0.524 318 R N -1.484 119.133 120.500 0.196 0.000 2.902 318 R HA 0.579 4.909 4.340 -0.016 0.000 0.258 318 R C 0.731 177.090 176.300 0.098 0.000 1.071 318 R CA -0.963 55.123 56.100 -0.023 0.000 1.024 318 R CB 1.328 31.626 30.300 -0.003 0.000 1.184 318 R HN -0.062 nan 8.270 nan 0.000 0.492 319 M N 0.570 120.141 119.600 -0.049 0.000 2.216 319 M HA 0.177 4.647 4.480 -0.016 0.000 0.264 319 M C -0.109 176.246 176.300 0.091 0.000 1.080 319 M CA 0.986 56.356 55.300 0.117 0.000 1.153 319 M CB 0.302 32.926 32.600 0.040 0.000 1.356 319 M HN 0.497 nan 8.290 nan 0.000 0.432 320 L N 1.362 122.607 121.223 0.036 0.000 2.410 320 L HA 0.233 4.564 4.340 -0.016 0.000 0.273 320 L C 1.039 177.944 176.870 0.059 0.000 1.144 320 L CA 0.304 55.167 54.840 0.038 0.000 0.863 320 L CB 0.233 42.302 42.059 0.017 0.000 1.140 320 L HN 0.714 nan 8.230 nan 0.000 0.463 321 G N 2.026 110.858 108.800 0.053 0.000 2.143 321 G HA2 -0.276 3.674 3.960 -0.016 0.000 0.249 321 G HA3 -0.276 3.674 3.960 -0.016 0.000 0.249 321 G C 0.071 175.015 174.900 0.073 0.000 0.981 321 G CA -0.255 44.881 45.100 0.059 0.000 0.665 321 G HN 0.628 nan 8.290 nan 0.000 0.528 322 N N 0.108 118.853 118.700 0.075 0.000 2.425 322 N HA 0.448 5.178 4.740 -0.016 0.000 0.268 322 N C 1.205 176.702 175.510 -0.022 0.000 0.991 322 N CA 0.184 53.281 53.050 0.079 0.000 0.931 322 N CB 1.707 40.279 38.487 0.142 0.000 1.130 322 N HN 0.117 nan 8.380 nan 0.000 0.493 323 V N 4.972 124.788 119.914 -0.164 0.000 2.759 323 V HA -0.140 3.970 4.120 -0.016 0.000 0.256 323 V C 0.629 176.522 176.094 -0.334 0.000 1.080 323 V CA 1.667 63.785 62.300 -0.303 0.000 1.101 323 V CB -0.536 31.033 31.823 -0.423 0.000 0.698 323 V HN 0.654 nan 8.190 nan 0.000 0.477 324 Y N -1.387 118.907 120.300 -0.011 0.000 2.479 324 Y HA 0.282 4.822 4.550 -0.016 0.000 0.283 324 Y C 1.641 177.431 175.900 -0.182 0.000 1.109 324 Y CA 0.018 58.038 58.100 -0.133 0.000 1.239 324 Y CB -0.779 37.533 38.460 -0.247 0.000 1.108 324 Y HN 0.242 nan 8.280 nan 0.000 0.548 325 C N 2.788 122.103 119.300 0.024 0.000 2.627 325 C HA 0.361 4.811 4.460 -0.016 0.000 0.404 325 C C 0.643 175.659 174.990 0.044 0.000 1.340 325 C CA -1.192 57.839 59.018 0.023 0.000 1.758 325 C CB -1.590 26.241 27.740 0.151 0.000 2.501 325 C HN 0.355 nan 8.230 nan 0.000 0.588 326 M N 6.162 125.781 119.600 0.031 0.000 2.246 326 M HA 0.152 4.623 4.480 -0.016 0.000 0.350 326 M C 0.351 176.694 176.300 0.071 0.000 1.406 326 M CA 0.870 56.179 55.300 0.015 0.000 1.089 326 M CB 0.440 33.032 32.600 -0.012 0.000 1.782 326 M HN 0.623 nan 8.290 nan 0.000 0.457 327 Q N 6.346 126.162 119.800 0.027 0.000 2.325 327 Q HA 0.276 4.607 4.340 -0.016 0.000 0.256 327 Q C -0.997 174.981 176.000 -0.037 0.000 1.142 327 Q CA 0.543 56.360 55.803 0.023 0.000 0.902 327 Q CB -0.521 28.220 28.738 0.005 0.000 1.350 327 Q HN 0.656 nan 8.270 nan 0.000 0.449 328 I N 5.133 125.640 120.570 -0.105 0.000 2.406 328 I HA 0.244 4.404 4.170 -0.016 0.000 0.290 328 I C -2.023 173.803 176.117 -0.485 0.000 0.999 328 I CA -2.369 58.696 61.300 -0.392 0.000 1.124 328 I CB 2.253 39.762 38.000 -0.819 0.000 1.289 328 I HN 0.232 nan 8.210 nan 0.000 0.441 329 P HA 0.008 nan 4.420 nan 0.000 0.264 329 P C -1.122 176.113 177.300 -0.107 0.000 1.537 329 P CA -0.046 62.983 63.100 -0.118 0.000 1.189 329 P CB -0.423 31.276 31.700 -0.002 0.000 1.687 330 W N 1.894 123.139 121.300 -0.091 0.000 2.218 330 W HA 0.256 4.907 4.660 -0.016 0.000 0.326 330 W C 0.960 177.472 176.519 -0.011 0.000 1.276 330 W CA -0.464 56.737 57.345 -0.241 0.000 1.210 330 W CB 0.677 29.914 29.460 -0.372 0.000 1.143 330 W HN 0.244 nan 8.180 nan 0.000 0.563 331 Q N 2.107 122.137 119.800 0.382 0.000 2.230 331 Q HA 0.159 4.489 4.340 -0.016 0.000 0.253 331 Q C -0.106 176.020 176.000 0.210 0.000 0.919 331 Q CA -0.847 55.136 55.803 0.300 0.000 0.908 331 Q CB 1.577 30.533 28.738 0.363 0.000 1.245 331 Q HN 0.333 nan 8.270 nan 0.000 0.437 332 E N 1.949 122.235 120.200 0.145 0.000 2.344 332 E HA 0.066 4.406 4.350 -0.016 0.000 0.270 332 E C -0.547 176.151 176.600 0.164 0.000 1.021 332 E CA 0.382 56.840 56.400 0.098 0.000 0.887 332 E CB 0.594 30.316 29.700 0.037 0.000 0.997 332 E HN 0.454 nan 8.360 nan 0.000 0.429 333 H N 3.759 122.854 119.070 0.042 0.000 2.888 333 H HA 0.143 4.689 4.556 -0.016 0.000 0.280 333 H C -2.161 173.189 175.328 0.036 0.000 1.431 333 H CA -1.226 54.845 56.048 0.038 0.000 1.573 333 H CB 1.053 30.875 29.762 0.101 0.000 1.924 333 H HN 0.209 nan 8.280 nan 0.000 0.645 334 P HA -0.122 nan 4.420 nan 0.000 0.218 334 P C 1.125 178.478 177.300 0.088 0.000 1.148 334 P CA 1.043 64.166 63.100 0.038 0.000 0.822 334 P CB 0.634 32.325 31.700 -0.016 0.000 0.784 335 D N -1.490 118.934 120.400 0.041 0.000 2.092 335 D HA -0.173 4.458 4.640 -0.016 0.000 0.193 335 D C 1.816 178.267 176.300 0.252 0.000 0.994 335 D CA 1.355 55.409 54.000 0.091 0.000 0.828 335 D CB -0.916 39.873 40.800 -0.020 0.000 0.963 335 D HN 0.399 nan 8.370 nan 0.000 0.450 336 H N -0.992 118.313 119.070 0.392 0.000 2.524 336 H HA 0.030 4.577 4.556 -0.016 0.000 0.282 336 H C 1.843 177.326 175.328 0.259 0.000 1.016 336 H CA -0.102 56.111 56.048 0.274 0.000 1.270 336 H CB 0.361 30.199 29.762 0.127 0.000 1.394 336 H HN 0.018 nan 8.280 nan 0.000 0.568 337 L N 0.859 122.283 121.223 0.335 0.000 2.068 337 L HA -0.075 4.255 4.340 -0.016 0.000 0.204 337 L C 2.269 179.336 176.870 0.329 0.000 1.076 337 L CA 1.566 56.568 54.840 0.269 0.000 0.753 337 L CB -0.139 42.009 42.059 0.149 0.000 0.910 337 L HN 0.066 nan 8.230 nan 0.000 0.439 338 E N -0.168 120.198 120.200 0.277 0.000 2.110 338 E HA -0.186 4.154 4.350 -0.016 0.000 0.193 338 E C 2.052 178.862 176.600 0.349 0.000 0.988 338 E CA 1.438 58.017 56.400 0.298 0.000 0.804 338 E CB -0.222 29.596 29.700 0.196 0.000 0.745 338 E HN 0.555 nan 8.360 nan 0.000 0.458 339 A N -0.262 122.750 122.820 0.319 0.000 1.898 339 A HA -0.135 4.175 4.320 -0.016 0.000 0.216 339 A C 2.097 179.871 177.584 0.317 0.000 1.181 339 A CA 1.358 53.570 52.037 0.291 0.000 0.620 339 A CB -1.228 17.953 19.000 0.303 0.000 0.819 339 A HN 0.621 nan 8.150 nan 0.000 0.442 340 W N 1.298 122.718 121.300 0.201 0.000 2.381 340 W HA -0.146 4.505 4.660 -0.015 0.000 0.301 340 W C 2.164 178.751 176.519 0.113 0.000 1.205 340 W CA 2.486 59.937 57.345 0.177 0.000 1.285 340 W CB -0.476 29.113 29.460 0.215 0.000 1.133 340 W HN 0.283 nan 8.180 nan 0.000 0.521 341 T N -0.666 114.043 114.554 0.259 0.000 2.759 341 T HA -0.258 4.083 4.350 -0.016 0.000 0.269 341 T C 0.677 175.159 174.700 -0.363 0.000 1.042 341 T CA 2.049 64.105 62.100 -0.074 0.000 1.140 341 T CB -0.499 68.369 68.868 -0.001 0.000 0.864 341 T HN 0.273 nan 8.240 nan 0.000 0.455 342 H N -0.519 118.535 119.070 -0.028 0.000 2.594 342 H HA 0.459 5.005 4.556 -0.017 0.000 0.279 342 H C 1.300 176.587 175.328 -0.069 0.000 1.042 342 H CA -0.025 55.996 56.048 -0.044 0.000 1.177 342 H CB 0.228 29.991 29.762 0.003 0.000 1.524 342 H HN 0.372 nan 8.280 nan 0.000 0.537 343 G N 1.794 110.570 108.800 -0.039 0.000 2.351 343 G HA2 -0.336 3.615 3.960 -0.016 0.000 0.297 343 G HA3 -0.336 3.615 3.960 -0.016 0.000 0.297 343 G C 0.364 175.271 174.900 0.011 0.000 1.054 343 G CA -0.023 45.041 45.100 -0.060 0.000 1.123 343 G HN 0.515 nan 8.290 nan 0.000 0.512 344 R N -0.354 120.167 120.500 0.035 0.000 2.668 344 R HA 0.181 4.512 4.340 -0.016 0.000 0.435 344 R C 2.131 178.428 176.300 -0.004 0.000 1.059 344 R CA 0.453 56.537 56.100 -0.027 0.000 1.073 344 R CB 0.129 30.425 30.300 -0.007 0.000 1.401 344 R HN 0.481 nan 8.270 nan 0.000 0.590 345 T N -3.143 111.456 114.554 0.075 0.000 2.904 345 T HA 0.010 4.351 4.350 -0.016 0.000 0.267 345 T C 1.624 176.405 174.700 0.135 0.000 1.059 345 T CA 1.439 63.657 62.100 0.198 0.000 1.137 345 T CB 0.176 69.213 68.868 0.282 0.000 0.879 345 T HN 0.410 nan 8.240 nan 0.000 0.467 346 G N -0.068 108.734 108.800 0.003 0.000 2.218 346 G HA2 -0.189 3.761 3.960 -0.016 0.000 0.216 346 G HA3 -0.189 3.761 3.960 -0.016 0.000 0.216 346 G C -0.138 174.903 174.900 0.234 0.000 0.994 346 G CA -0.163 44.926 45.100 -0.018 0.000 0.637 346 G HN 0.596 nan 8.290 nan 0.000 0.505 347 Y N 1.202 121.668 120.300 0.277 0.000 2.518 347 Y HA 0.433 4.973 4.550 -0.017 0.000 0.344 347 Y C -1.052 174.995 175.900 0.245 0.000 0.982 347 Y CA -1.750 56.532 58.100 0.303 0.000 1.234 347 Y CB 1.594 40.099 38.460 0.075 0.000 1.114 347 Y HN 0.004 nan 8.280 nan 0.000 0.515 348 P HA -0.244 nan 4.420 nan 0.000 0.216 348 P C 1.592 178.978 177.300 0.144 0.000 1.150 348 P CA 1.357 64.543 63.100 0.144 0.000 0.837 348 P CB 0.081 31.700 31.700 -0.135 0.000 0.786 349 F N 0.108 120.102 119.950 0.074 0.000 2.146 349 F HA -0.127 4.389 4.527 -0.017 0.000 0.298 349 F C 1.908 177.768 175.800 0.099 0.000 1.096 349 F CA 1.258 59.326 58.000 0.114 0.000 1.275 349 F CB -0.588 38.574 39.000 0.271 0.000 1.008 349 F HN -0.252 nan 8.300 nan 0.000 0.480 350 I N 0.357 120.921 120.570 -0.010 0.000 2.315 350 I HA -0.226 3.934 4.170 -0.016 0.000 0.248 350 I C 1.894 177.892 176.117 -0.198 0.000 1.117 350 I CA 1.229 62.398 61.300 -0.218 0.000 1.404 350 I CB -1.427 36.346 38.000 -0.378 0.000 1.071 350 I HN 0.122 nan 8.210 nan 0.000 0.419 351 D N 1.241 121.603 120.400 -0.062 0.000 2.117 351 D HA -0.065 4.566 4.640 -0.016 0.000 0.198 351 D C 2.310 178.557 176.300 -0.088 0.000 0.982 351 D CA 1.471 55.445 54.000 -0.043 0.000 0.828 351 D CB -0.068 40.798 40.800 0.111 0.000 0.967 351 D HN 0.261 nan 8.370 nan 0.000 0.464 352 A N 0.651 123.427 122.820 -0.074 0.000 1.933 352 A HA -0.142 4.169 4.320 -0.016 0.000 0.218 352 A C 2.342 179.772 177.584 -0.257 0.000 1.175 352 A CA 0.931 52.885 52.037 -0.138 0.000 0.628 352 A CB -0.673 18.281 19.000 -0.076 0.000 0.814 352 A HN 0.194 nan 8.150 nan 0.000 0.444 353 I N -0.946 119.521 120.570 -0.173 0.000 2.202 353 I HA -0.238 3.922 4.170 -0.016 0.000 0.242 353 I C 2.532 178.462 176.117 -0.312 0.000 1.091 353 I CA 1.078 62.254 61.300 -0.207 0.000 1.368 353 I CB -0.303 37.498 38.000 -0.330 0.000 1.058 353 I HN 0.226 nan 8.210 nan 0.000 0.410 354 M N 0.179 119.580 119.600 -0.331 0.000 2.213 354 M HA -0.155 4.315 4.480 -0.016 0.000 0.263 354 M C 2.332 178.455 176.300 -0.295 0.000 1.062 354 M CA 1.663 56.733 55.300 -0.383 0.000 1.105 354 M CB -1.196 31.120 32.600 -0.475 0.000 1.385 354 M HN 0.204 nan 8.290 nan 0.000 0.417 355 R N -0.542 119.819 120.500 -0.231 0.000 2.090 355 R HA -0.112 4.218 4.340 -0.016 0.000 0.228 355 R C 2.211 178.402 176.300 -0.182 0.000 1.110 355 R CA 0.996 57.008 56.100 -0.146 0.000 0.973 355 R CB -0.293 29.978 30.300 -0.048 0.000 0.869 355 R HN 0.504 nan 8.270 nan 0.000 0.440 356 Q N 0.859 120.411 119.800 -0.414 0.000 2.119 356 Q HA -0.164 4.166 4.340 -0.016 0.000 0.201 356 Q C 2.069 177.928 176.000 -0.235 0.000 0.972 356 Q CA 1.131 56.627 55.803 -0.512 0.000 0.847 356 Q CB 0.030 28.195 28.738 -0.954 0.000 0.903 356 Q HN 0.185 nan 8.270 nan 0.000 0.433 357 L N 0.919 121.977 121.223 -0.275 0.000 2.046 357 L HA -0.174 4.157 4.340 -0.016 0.000 0.208 357 L C 2.421 179.180 176.870 -0.185 0.000 1.077 357 L CA 1.956 56.632 54.840 -0.274 0.000 0.747 357 L CB -0.484 41.324 42.059 -0.419 0.000 0.896 357 L HN 0.137 nan 8.230 nan 0.000 0.432 358 R N -1.268 119.136 120.500 -0.161 0.000 2.062 358 R HA -0.129 4.201 4.340 -0.016 0.000 0.229 358 R C 2.272 178.559 176.300 -0.022 0.000 1.128 358 R CA 1.640 57.684 56.100 -0.093 0.000 0.960 358 R CB -0.149 30.099 30.300 -0.086 0.000 0.855 358 R HN 0.528 nan 8.270 nan 0.000 0.432 359 Q N -0.149 119.651 119.800 -0.001 0.000 1.969 359 Q HA -0.126 4.204 4.340 -0.016 0.000 0.198 359 Q C 1.842 177.891 176.000 0.081 0.000 0.978 359 Q CA 1.804 57.639 55.803 0.053 0.000 0.830 359 Q CB 0.106 28.899 28.738 0.092 0.000 0.896 359 Q HN 0.428 nan 8.270 nan 0.000 0.431 360 E N -1.111 119.150 120.200 0.103 0.000 2.340 360 E HA 0.067 4.408 4.350 -0.016 0.000 0.194 360 E C 0.732 177.471 176.600 0.231 0.000 0.996 360 E CA 0.391 56.899 56.400 0.180 0.000 0.869 360 E CB 0.549 30.396 29.700 0.245 0.000 0.835 360 E HN 0.517 nan 8.360 nan 0.000 0.493 361 G N 1.156 110.035 108.800 0.133 0.000 2.159 361 G HA2 -0.271 3.680 3.960 -0.016 0.000 0.256 361 G HA3 -0.271 3.680 3.960 -0.016 0.000 0.256 361 G C -0.574 174.407 174.900 0.135 0.000 0.977 361 G CA 0.404 45.561 45.100 0.095 0.000 0.652 361 G HN 0.281 nan 8.290 nan 0.000 0.531 362 W N 0.550 121.829 121.300 -0.035 0.000 3.274 362 W HA 0.658 5.308 4.660 -0.016 0.000 0.327 362 W C -0.657 175.816 176.519 -0.076 0.000 1.172 362 W CA -1.080 56.202 57.345 -0.105 0.000 1.217 362 W CB 0.970 30.325 29.460 -0.176 0.000 1.376 362 W HN 0.483 nan 8.180 nan 0.000 0.507 363 I N 2.064 122.035 120.570 -0.999 0.000 2.865 363 I HA 0.416 4.576 4.170 -0.016 0.000 0.302 363 I C -0.104 175.065 176.117 -1.579 0.000 1.140 363 I CA -1.321 59.403 61.300 -0.959 0.000 1.021 363 I CB 1.924 39.594 38.000 -0.550 0.000 1.233 363 I HN 0.465 nan 8.210 nan 0.000 0.427 364 H N 3.384 121.805 119.070 -1.081 0.000 2.852 364 H HA 0.029 4.575 4.556 -0.016 0.000 0.362 364 H C 0.537 175.601 175.328 -0.440 0.000 1.122 364 H CA 0.948 56.603 56.048 -0.655 0.000 1.419 364 H CB 1.174 30.826 29.762 -0.182 0.000 1.401 364 H HN 0.885 nan 8.280 nan 0.000 0.609 365 N N 3.214 121.455 118.700 -0.764 0.000 2.036 365 N HA -0.179 4.551 4.740 -0.016 0.000 0.195 365 N C 2.054 177.439 175.510 -0.209 0.000 1.037 365 N CA 1.758 54.542 53.050 -0.443 0.000 0.855 365 N CB -0.247 37.956 38.487 -0.472 0.000 1.033 365 N HN 0.664 nan 8.380 nan 0.000 0.423 366 L N -0.538 120.673 121.223 -0.020 0.000 2.291 366 L HA 0.043 4.374 4.340 -0.016 0.000 0.214 366 L C 2.242 179.178 176.870 0.110 0.000 1.120 366 L CA 0.768 55.611 54.840 0.005 0.000 0.799 366 L CB -0.372 41.824 42.059 0.227 0.000 0.925 366 L HN 0.240 nan 8.230 nan 0.000 0.446 367 A N 0.249 123.111 122.820 0.071 0.000 1.929 367 A HA -0.128 4.183 4.320 -0.016 0.000 0.216 367 A C 2.354 179.854 177.584 -0.140 0.000 1.176 367 A CA 0.912 52.899 52.037 -0.083 0.000 0.628 367 A CB -0.269 18.610 19.000 -0.201 0.000 0.816 367 A HN 0.314 nan 8.150 nan 0.000 0.444 368 R N -1.162 119.254 120.500 -0.140 0.000 2.115 368 R HA -0.057 4.273 4.340 -0.016 0.000 0.230 368 R C 2.022 178.214 176.300 -0.179 0.000 1.111 368 R CA 1.187 57.238 56.100 -0.081 0.000 0.976 368 R CB -0.509 29.743 30.300 -0.080 0.000 0.870 368 R HN 0.688 nan 8.270 nan 0.000 0.445 369 H N 0.402 119.241 119.070 -0.385 0.000 2.293 369 H HA -0.068 4.478 4.556 -0.016 0.000 0.300 369 H C 2.211 177.155 175.328 -0.641 0.000 1.082 369 H CA 1.390 57.090 56.048 -0.581 0.000 1.308 369 H CB 0.078 29.390 29.762 -0.750 0.000 1.375 369 H HN 0.283 nan 8.280 nan 0.000 0.495 370 A N 0.931 123.499 122.820 -0.419 0.000 1.908 370 A HA -0.174 4.136 4.320 -0.016 0.000 0.218 370 A C 2.700 180.266 177.584 -0.031 0.000 1.181 370 A CA 2.317 54.192 52.037 -0.269 0.000 0.627 370 A CB -0.958 18.082 19.000 0.068 0.000 0.818 370 A HN 0.352 nan 8.150 nan 0.000 0.445 371 V N -2.826 117.099 119.914 0.017 0.000 2.591 371 V HA 0.114 4.225 4.120 -0.016 0.000 0.249 371 V C 2.511 178.843 176.094 0.397 0.000 1.053 371 V CA 1.518 63.998 62.300 0.299 0.000 1.068 371 V CB -1.310 30.682 31.823 0.282 0.000 0.689 371 V HN 0.489 nan 8.190 nan 0.000 0.462 372 A N -0.365 122.437 122.820 -0.031 0.000 1.930 372 A HA -0.200 4.110 4.320 -0.016 0.000 0.217 372 A C 2.427 179.951 177.584 -0.100 0.000 1.175 372 A CA 1.863 53.675 52.037 -0.374 0.000 0.627 372 A CB -1.223 17.117 19.000 -1.099 0.000 0.815 372 A HN 0.696 nan 8.150 nan 0.000 0.443 373 C N -1.606 117.662 119.300 -0.054 0.000 2.453 373 C HA -0.076 4.374 4.460 -0.016 0.000 0.277 373 C C 2.405 177.494 174.990 0.166 0.000 1.262 373 C CA 1.179 60.252 59.018 0.090 0.000 1.718 373 C CB -1.521 26.339 27.740 0.199 0.000 2.031 373 C HN 0.640 nan 8.230 nan 0.000 0.480 374 F N 1.190 121.180 119.950 0.066 0.000 2.091 374 F HA -0.135 4.382 4.527 -0.015 0.000 0.299 374 F C 2.000 177.809 175.800 0.015 0.000 1.103 374 F CA 2.233 60.278 58.000 0.075 0.000 1.228 374 F CB -0.610 38.453 39.000 0.105 0.000 0.984 374 F HN 0.266 nan 8.300 nan 0.000 0.477 375 L N 0.047 121.293 121.223 0.038 0.000 2.056 375 L HA -0.071 4.260 4.340 -0.016 0.000 0.207 375 L C 2.064 178.755 176.870 -0.299 0.000 1.078 375 L CA 2.098 56.714 54.840 -0.373 0.000 0.749 375 L CB -0.933 40.551 42.059 -0.959 0.000 0.901 375 L HN 0.457 nan 8.230 nan 0.000 0.433 376 T N -2.060 112.385 114.554 -0.181 0.000 3.685 376 T HA 0.029 4.369 4.350 -0.016 0.000 0.215 376 T C 1.595 176.400 174.700 0.175 0.000 0.797 376 T CA 0.241 62.206 62.100 -0.225 0.000 1.962 376 T CB -0.552 68.145 68.868 -0.285 0.000 2.541 376 T HN 0.396 nan 8.240 nan 0.000 0.359 377 R N 1.206 121.902 120.500 0.328 0.000 2.200 377 R HA 0.103 4.434 4.340 -0.016 0.000 0.234 377 R C 2.313 178.851 176.300 0.397 0.000 1.127 377 R CA 1.346 57.719 56.100 0.455 0.000 0.989 377 R CB -1.266 29.261 30.300 0.378 0.000 0.869 377 R HN 0.568 nan 8.270 nan 0.000 0.459 378 G N 0.792 109.746 108.800 0.258 0.000 2.556 378 G HA2 -0.207 3.744 3.960 -0.016 0.000 0.215 378 G HA3 -0.207 3.744 3.960 -0.016 0.000 0.215 378 G C 0.345 175.324 174.900 0.131 0.000 1.258 378 G CA 1.441 46.671 45.100 0.218 0.000 0.811 378 G HN 0.370 nan 8.290 nan 0.000 0.557 379 D N -1.067 119.275 120.400 -0.096 0.000 3.195 379 D HA 0.172 4.803 4.640 -0.016 0.000 0.245 379 D C 2.393 178.559 176.300 -0.224 0.000 1.462 379 D CA -0.256 53.574 54.000 -0.283 0.000 1.259 379 D CB -0.187 40.098 40.800 -0.859 0.000 1.199 379 D HN 0.115 nan 8.370 nan 0.000 0.345 380 L N -0.073 120.933 121.223 -0.363 0.000 2.376 380 L HA 0.017 4.347 4.340 -0.016 0.000 0.219 380 L C 0.571 177.507 176.870 0.110 0.000 1.133 380 L CA 0.286 55.005 54.840 -0.201 0.000 0.816 380 L CB -0.042 41.868 42.059 -0.247 0.000 0.933 380 L HN 0.404 nan 8.230 nan 0.000 0.449 381 W N 1.293 122.578 121.300 -0.025 0.000 4.551 381 W HA -0.273 4.377 4.660 -0.016 0.000 0.343 381 W C -0.402 176.290 176.519 0.287 0.000 1.269 381 W CA 0.006 57.482 57.345 0.218 0.000 0.799 381 W CB -1.312 28.221 29.460 0.122 0.000 2.352 381 W HN 0.059 nan 8.180 nan 0.000 1.462 382 I N 1.546 122.095 120.570 -0.035 0.000 2.440 382 I HA 0.072 4.233 4.170 -0.016 0.000 0.294 382 I C 1.360 177.050 176.117 -0.712 0.000 0.995 382 I CA -0.192 60.971 61.300 -0.229 0.000 1.306 382 I CB 1.360 39.218 38.000 -0.237 0.000 1.407 382 I HN -0.116 nan 8.210 nan 0.000 0.501 383 S N 6.243 121.478 115.700 -0.774 0.000 2.558 383 S HA -0.055 4.406 4.470 -0.016 0.000 0.291 383 S C 1.191 175.084 174.600 -1.178 0.000 1.306 383 S CA -0.276 57.115 58.200 -1.348 0.000 1.056 383 S CB 0.333 63.009 63.200 -0.874 0.000 0.836 383 S HN 0.763 nan 8.310 nan 0.000 0.504 384 W N 3.813 124.399 121.300 -1.189 0.000 2.595 384 W HA 0.020 4.670 4.660 -0.017 0.000 0.257 384 W C 1.013 176.911 176.519 -1.035 0.000 1.267 384 W CA 0.566 57.312 57.345 -0.999 0.000 1.300 384 W CB -0.804 28.322 29.460 -0.557 0.000 1.120 384 W HN 0.781 nan 8.180 nan 0.000 0.618 385 E N 0.945 120.368 120.200 -1.295 0.000 2.150 385 E HA -0.175 4.165 4.350 -0.016 0.000 0.193 385 E C 2.084 178.256 176.600 -0.713 0.000 0.985 385 E CA 1.280 57.066 56.400 -1.023 0.000 0.814 385 E CB 0.037 29.151 29.700 -0.978 0.000 0.752 385 E HN 0.225 nan 8.360 nan 0.000 0.466 386 E N -0.005 119.779 120.200 -0.694 0.000 2.046 386 E HA -0.101 4.240 4.350 -0.016 0.000 0.190 386 E C 2.243 178.545 176.600 -0.497 0.000 0.982 386 E CA 1.083 57.188 56.400 -0.492 0.000 0.800 386 E CB -0.445 29.005 29.700 -0.418 0.000 0.756 386 E HN 0.314 nan 8.360 nan 0.000 0.449 387 G N 1.277 109.569 108.800 -0.847 0.000 2.443 387 G HA2 -0.306 3.644 3.960 -0.016 0.000 0.219 387 G HA3 -0.306 3.644 3.960 -0.016 0.000 0.219 387 G C 1.502 175.885 174.900 -0.863 0.000 1.131 387 G CA 0.750 45.335 45.100 -0.858 0.000 0.775 387 G HN 0.265 nan 8.290 nan 0.000 0.547 388 Q N 0.142 119.226 119.800 -1.194 0.000 2.084 388 Q HA -0.113 4.218 4.340 -0.016 0.000 0.202 388 Q C 2.662 178.536 176.000 -0.210 0.000 0.978 388 Q CA 1.259 56.630 55.803 -0.720 0.000 0.844 388 Q CB -0.097 28.304 28.738 -0.561 0.000 0.898 388 Q HN 0.457 nan 8.270 nan 0.000 0.426 389 R N -0.553 119.820 120.500 -0.212 0.000 2.075 389 R HA -0.082 4.248 4.340 -0.016 0.000 0.232 389 R C 2.375 178.689 176.300 0.023 0.000 1.126 389 R CA 1.342 57.386 56.100 -0.093 0.000 0.963 389 R CB -0.231 29.998 30.300 -0.118 0.000 0.858 389 R HN 0.139 nan 8.270 nan 0.000 0.435 390 V N 0.617 120.594 119.914 0.105 0.000 2.255 390 V HA -0.255 3.855 4.120 -0.016 0.000 0.247 390 V C 2.002 178.255 176.094 0.266 0.000 1.051 390 V CA 1.784 64.210 62.300 0.210 0.000 1.018 390 V CB -0.563 31.507 31.823 0.411 0.000 0.641 390 V HN 0.130 nan 8.190 nan 0.000 0.445 391 F N 0.528 120.551 119.950 0.121 0.000 2.134 391 F HA -0.149 4.369 4.527 -0.015 0.000 0.299 391 F C 2.521 178.336 175.800 0.024 0.000 1.097 391 F CA 1.754 59.825 58.000 0.119 0.000 1.264 391 F CB -0.658 38.534 39.000 0.320 0.000 1.001 391 F HN 0.229 nan 8.300 nan 0.000 0.479 392 E N -0.228 120.082 120.200 0.183 0.000 2.118 392 E HA -0.281 4.059 4.350 -0.016 0.000 0.195 392 E C 2.266 178.857 176.600 -0.015 0.000 0.992 392 E CA 1.367 57.791 56.400 0.040 0.000 0.804 392 E CB -0.155 29.527 29.700 -0.030 0.000 0.741 392 E HN 0.510 nan 8.360 nan 0.000 0.458 393 Q N -0.096 119.704 119.800 0.000 0.000 2.062 393 Q HA -0.107 4.223 4.340 -0.016 0.000 0.196 393 Q C 2.200 178.182 176.000 -0.029 0.000 0.967 393 Q CA 1.003 56.798 55.803 -0.014 0.000 0.832 393 Q CB 0.128 28.870 28.738 0.006 0.000 0.899 393 Q HN 0.346 nan 8.270 nan 0.000 0.442 394 L N 0.449 121.645 121.223 -0.045 0.000 2.249 394 L HA 0.127 4.458 4.340 -0.016 0.000 0.207 394 L C 0.798 177.606 176.870 -0.103 0.000 1.090 394 L CA -0.129 54.662 54.840 -0.081 0.000 0.802 394 L CB 0.117 42.092 42.059 -0.140 0.000 0.947 394 L HN 0.152 nan 8.230 nan 0.000 0.453 395 L N 0.632 121.779 121.223 -0.127 0.000 2.416 395 L HA 0.006 4.336 4.340 -0.016 0.000 0.272 395 L C 1.128 177.934 176.870 -0.107 0.000 1.161 395 L CA -0.143 54.615 54.840 -0.137 0.000 0.845 395 L CB 1.139 43.116 42.059 -0.136 0.000 1.119 395 L HN 0.160 nan 8.230 nan 0.000 0.464 396 L N 1.713 122.875 121.223 -0.101 0.000 2.240 396 L HA -0.093 4.237 4.340 -0.016 0.000 0.211 396 L C 1.249 177.940 176.870 -0.297 0.000 1.106 396 L CA 0.586 55.310 54.840 -0.192 0.000 0.793 396 L CB -0.212 41.705 42.059 -0.236 0.000 0.927 396 L HN 0.757 nan 8.230 nan 0.000 0.446 397 D N -1.617 118.663 120.400 -0.199 0.000 2.427 397 D HA -0.082 4.548 4.640 -0.016 0.000 0.224 397 D C 0.782 176.997 176.300 -0.143 0.000 1.157 397 D CA -0.276 53.613 54.000 -0.186 0.000 0.828 397 D CB -0.251 40.511 40.800 -0.063 0.000 0.974 397 D HN 0.041 nan 8.370 nan 0.000 0.498 398 Q N 1.684 121.392 119.800 -0.153 0.000 2.388 398 Q HA -0.080 4.250 4.340 -0.016 0.000 0.302 398 Q C -0.854 175.105 176.000 -0.068 0.000 1.149 398 Q CA 0.769 56.521 55.803 -0.084 0.000 1.014 398 Q CB -0.076 28.606 28.738 -0.093 0.000 1.072 398 Q HN 0.308 nan 8.270 nan 0.000 0.395 399 D N 4.206 124.609 120.400 0.004 0.000 2.425 399 D HA 0.024 4.654 4.640 -0.016 0.000 0.240 399 D C 0.552 176.909 176.300 0.095 0.000 1.080 399 D CA -0.495 53.543 54.000 0.063 0.000 0.836 399 D CB 0.373 41.218 40.800 0.074 0.000 1.125 399 D HN 0.713 nan 8.370 nan 0.000 0.525 400 W N 5.017 126.320 121.300 0.005 0.000 2.304 400 W HA -0.317 4.333 4.660 -0.017 0.000 0.315 400 W C 1.634 178.192 176.519 0.065 0.000 1.233 400 W CA 2.677 60.056 57.345 0.057 0.000 1.261 400 W CB -0.165 29.412 29.460 0.195 0.000 1.150 400 W HN 0.539 nan 8.180 nan 0.000 0.494 401 A N -0.540 122.173 122.820 -0.178 0.000 1.872 401 A HA -0.092 4.218 4.320 -0.016 0.000 0.214 401 A C 1.893 179.294 177.584 -0.305 0.000 1.187 401 A CA 1.751 53.476 52.037 -0.519 0.000 0.614 401 A CB -1.002 17.563 19.000 -0.725 0.000 0.826 401 A HN 0.307 nan 8.150 nan 0.000 0.442 402 L N 0.277 121.341 121.223 -0.266 0.000 2.109 402 L HA -0.088 4.242 4.340 -0.016 0.000 0.207 402 L C 2.254 178.951 176.870 -0.289 0.000 1.086 402 L CA 1.785 56.454 54.840 -0.284 0.000 0.760 402 L CB -0.967 41.018 42.059 -0.123 0.000 0.910 402 L HN 0.459 nan 8.230 nan 0.000 0.437 403 N N -0.002 118.623 118.700 -0.125 0.000 2.058 403 N HA -0.163 4.567 4.740 -0.016 0.000 0.191 403 N C 1.834 177.369 175.510 0.042 0.000 1.037 403 N CA 1.719 54.775 53.050 0.011 0.000 0.848 403 N CB -0.175 38.377 38.487 0.108 0.000 1.021 403 N HN 0.293 nan 8.380 nan 0.000 0.422 404 A N -0.365 122.412 122.820 -0.072 0.000 1.902 404 A HA 0.041 4.351 4.320 -0.016 0.000 0.217 404 A C 2.321 179.712 177.584 -0.322 0.000 1.181 404 A CA 1.898 53.853 52.037 -0.137 0.000 0.623 404 A CB -1.373 17.487 19.000 -0.233 0.000 0.818 404 A HN 0.447 nan 8.150 nan 0.000 0.443 405 G N -0.151 108.529 108.800 -0.199 0.000 2.421 405 G HA2 -0.252 3.698 3.960 -0.016 0.000 0.216 405 G HA3 -0.252 3.698 3.960 -0.016 0.000 0.216 405 G C 1.424 176.161 174.900 -0.271 0.000 1.171 405 G CA 0.957 45.970 45.100 -0.146 0.000 0.775 405 G HN 0.535 nan 8.290 nan 0.000 0.543 406 N N -0.155 118.197 118.700 -0.579 0.000 2.309 406 N HA -0.075 4.656 4.740 -0.016 0.000 0.182 406 N C 1.863 177.135 175.510 -0.396 0.000 1.018 406 N CA 0.662 53.419 53.050 -0.488 0.000 0.876 406 N CB -0.224 37.894 38.487 -0.614 0.000 0.972 406 N HN 0.560 nan 8.380 nan 0.000 0.434 407 W N 1.385 122.429 121.300 -0.426 0.000 2.388 407 W HA 0.104 4.754 4.660 -0.016 0.000 0.294 407 W C 2.387 178.529 176.519 -0.629 0.000 1.212 407 W CA 0.446 57.509 57.345 -0.470 0.000 1.271 407 W CB -0.139 29.097 29.460 -0.373 0.000 1.126 407 W HN -0.001 nan 8.180 nan 0.000 0.535 408 M N -1.195 118.073 119.600 -0.553 0.000 2.229 408 M HA -0.206 4.264 4.480 -0.016 0.000 0.264 408 M C 2.056 178.269 176.300 -0.146 0.000 1.063 408 M CA 1.235 56.156 55.300 -0.632 0.000 1.114 408 M CB -0.662 31.551 32.600 -0.645 0.000 1.387 408 M HN 0.229 nan 8.290 nan 0.000 0.420 409 W N 1.193 122.418 121.300 -0.125 0.000 2.378 409 W HA -0.193 4.458 4.660 -0.015 0.000 0.313 409 W C 1.633 178.073 176.519 -0.131 0.000 1.197 409 W CA 1.175 58.516 57.345 -0.006 0.000 1.304 409 W CB -0.223 29.213 29.460 -0.040 0.000 1.148 409 W HN 0.111 nan 8.180 nan 0.000 0.494 410 L N 1.399 122.630 121.223 0.013 0.000 2.217 410 L HA -0.123 4.208 4.340 -0.016 0.000 0.211 410 L C 2.487 179.360 176.870 0.005 0.000 1.107 410 L CA 2.044 56.816 54.840 -0.114 0.000 0.783 410 L CB -1.665 40.157 42.059 -0.395 0.000 0.919 410 L HN 0.101 nan 8.230 nan 0.000 0.442 411 S N -0.777 114.929 115.700 0.010 0.000 2.593 411 S HA 0.195 4.656 4.470 -0.016 0.000 0.217 411 S C 1.302 176.031 174.600 0.215 0.000 0.966 411 S CA 0.369 58.647 58.200 0.130 0.000 0.914 411 S CB -0.039 63.202 63.200 0.069 0.000 0.776 411 S HN 0.375 nan 8.310 nan 0.000 0.523 412 A N 0.549 123.464 122.820 0.158 0.000 2.783 412 A HA -0.209 4.101 4.320 -0.016 0.000 0.292 412 A C 1.580 179.228 177.584 0.107 0.000 1.495 412 A CA 0.968 53.106 52.037 0.169 0.000 0.787 412 A CB -2.620 16.572 19.000 0.321 0.000 1.017 412 A HN 0.580 nan 8.150 nan 0.000 0.516 413 S N -1.265 114.429 115.700 -0.010 0.000 2.395 413 S HA 0.445 4.905 4.470 -0.016 0.000 0.225 413 S C 1.049 175.538 174.600 -0.184 0.000 1.027 413 S CA 1.289 59.469 58.200 -0.033 0.000 0.965 413 S CB 0.074 63.212 63.200 -0.103 0.000 0.812 413 S HN 2.055 nan 8.310 nan 0.000 0.482 414 A N -0.893 121.715 122.820 -0.353 0.000 2.594 414 A HA 0.687 4.997 4.320 -0.016 0.000 0.291 414 A C -0.050 177.190 177.584 -0.574 0.000 1.105 414 A CA -0.706 50.965 52.037 -0.610 0.000 0.694 414 A CB 0.240 18.646 19.000 -0.991 0.000 1.291 414 A HN 0.161 nan 8.150 nan 0.000 0.410 415 F N -1.721 118.166 119.950 -0.104 0.000 2.575 415 F HA -0.294 4.224 4.527 -0.016 0.000 0.673 415 F C 0.338 175.848 175.800 -0.483 0.000 0.487 415 F CA 2.110 60.096 58.000 -0.022 0.000 0.705 415 F CB -1.685 37.551 39.000 0.393 0.000 1.604 415 F HN 0.665 nan 8.300 nan 0.000 0.262 416 F N 1.901 121.299 119.950 -0.919 0.000 2.399 416 F HA 0.509 5.027 4.527 -0.016 0.000 0.334 416 F C 1.164 176.489 175.800 -0.792 0.000 1.097 416 F CA -0.570 56.759 58.000 -1.118 0.000 1.076 416 F CB 0.610 38.538 39.000 -1.786 0.000 1.162 416 F HN 0.110 nan 8.300 nan 0.000 0.495 417 H N 2.660 121.234 119.070 -0.825 0.000 3.771 417 H HA 0.103 4.650 4.556 -0.016 0.000 0.260 417 H C -0.135 175.004 175.328 -0.315 0.000 1.158 417 H CA 0.025 55.906 56.048 -0.279 0.000 1.170 417 H CB 0.482 30.201 29.762 -0.071 0.000 1.539 417 H HN 0.580 nan 8.280 nan 0.000 0.634 418 Q N 2.206 121.501 119.800 -0.843 0.000 2.613 418 Q HA 0.008 4.338 4.340 -0.016 0.000 0.228 418 Q C 0.301 176.207 176.000 -0.156 0.000 1.318 418 Q CA -0.202 55.316 55.803 -0.476 0.000 0.907 418 Q CB -0.175 28.308 28.738 -0.425 0.000 1.593 418 Q HN 0.557 nan 8.270 nan 0.000 0.559 419 Y N -1.513 118.782 120.300 -0.010 0.000 2.632 419 Y HA -0.023 4.517 4.550 -0.016 0.000 0.301 419 Y C 0.801 176.753 175.900 0.085 0.000 1.172 419 Y CA 0.079 58.209 58.100 0.050 0.000 1.328 419 Y CB -0.154 38.228 38.460 -0.130 0.000 1.016 419 Y HN 0.355 nan 8.280 nan 0.000 0.529 420 F N 1.337 121.096 119.950 -0.319 0.000 2.259 420 F HA 0.104 4.622 4.527 -0.016 0.000 0.298 420 F C 1.214 177.003 175.800 -0.019 0.000 1.088 420 F CA 0.594 58.489 58.000 -0.175 0.000 1.358 420 F CB -0.059 38.789 39.000 -0.253 0.000 1.040 420 F HN -0.114 nan 8.300 nan 0.000 0.505 421 R N 1.090 121.701 120.500 0.185 0.000 2.351 421 R HA 0.297 4.627 4.340 -0.016 0.000 0.321 421 R C -1.089 175.238 176.300 0.044 0.000 1.182 421 R CA -0.155 56.011 56.100 0.109 0.000 1.011 421 R CB 0.336 30.732 30.300 0.160 0.000 1.048 421 R HN -0.118 nan 8.270 nan 0.000 0.490 422 V N 4.506 124.429 119.914 0.015 0.000 2.495 422 V HA 0.218 4.328 4.120 -0.016 0.000 0.298 422 V C -0.380 175.691 176.094 -0.037 0.000 1.031 422 V CA -1.021 61.311 62.300 0.053 0.000 0.871 422 V CB 1.253 33.189 31.823 0.188 0.000 0.988 422 V HN 0.522 nan 8.190 nan 0.000 0.432 423 Y N 2.101 122.413 120.300 0.020 0.000 2.442 423 Y HA 0.209 4.749 4.550 -0.016 0.000 0.330 423 Y C 1.128 177.009 175.900 -0.031 0.000 1.129 423 Y CA 0.506 58.551 58.100 -0.093 0.000 1.365 423 Y CB 1.001 39.293 38.460 -0.280 0.000 1.233 423 Y HN 0.618 nan 8.280 nan 0.000 0.529 424 S N 5.985 121.754 115.700 0.115 0.000 2.430 424 S HA 0.205 4.665 4.470 -0.016 0.000 0.289 424 S C -1.457 173.139 174.600 -0.006 0.000 1.143 424 S CA -1.673 56.501 58.200 -0.043 0.000 1.067 424 S CB 0.613 63.858 63.200 0.075 0.000 0.964 424 S HN 0.484 nan 8.310 nan 0.000 0.485 425 P HA -0.059 nan 4.420 nan 0.000 0.225 425 P C 1.175 178.633 177.300 0.263 0.000 1.148 425 P CA 0.706 63.883 63.100 0.129 0.000 0.779 425 P CB 0.028 31.646 31.700 -0.136 0.000 0.780 426 V N -0.374 119.651 119.914 0.186 0.000 2.685 426 V HA 0.083 4.193 4.120 -0.016 0.000 0.244 426 V C 2.596 178.631 176.094 -0.099 0.000 1.054 426 V CA 1.708 64.131 62.300 0.205 0.000 1.076 426 V CB -1.214 30.791 31.823 0.304 0.000 0.725 426 V HN 0.082 nan 8.190 nan 0.000 0.467 427 A N -0.806 121.966 122.820 -0.081 0.000 1.973 427 A HA 0.096 4.406 4.320 -0.016 0.000 0.210 427 A C 1.948 179.404 177.584 -0.213 0.000 1.200 427 A CA 0.491 52.431 52.037 -0.161 0.000 0.707 427 A CB -0.510 18.471 19.000 -0.030 0.000 0.862 427 A HN 0.370 nan 8.150 nan 0.000 0.461 428 F N 1.757 121.553 119.950 -0.256 0.000 2.091 428 F HA -0.140 4.377 4.527 -0.016 0.000 0.299 428 F C 2.263 177.799 175.800 -0.440 0.000 1.103 428 F CA 1.663 59.532 58.000 -0.219 0.000 1.228 428 F CB -0.654 38.342 39.000 -0.007 0.000 0.984 428 F HN 0.205 nan 8.300 nan 0.000 0.477 429 G N -0.434 107.815 108.800 -0.919 0.000 2.422 429 G HA2 -0.220 3.730 3.960 -0.016 0.000 0.218 429 G HA3 -0.220 3.730 3.960 -0.016 0.000 0.218 429 G C 1.758 176.294 174.900 -0.608 0.000 1.140 429 G CA 0.571 45.055 45.100 -1.027 0.000 0.775 429 G HN 0.327 nan 8.290 nan 0.000 0.545 430 K N 0.479 120.389 120.400 -0.818 0.000 2.103 430 K HA -0.097 4.213 4.320 -0.016 0.000 0.207 430 K C 2.519 178.914 176.600 -0.342 0.000 1.048 430 K CA 1.252 57.159 56.287 -0.633 0.000 0.930 430 K CB -0.117 32.006 32.500 -0.629 0.000 0.716 430 K HN 0.246 nan 8.250 nan 0.000 0.444 431 K N -0.028 120.168 120.400 -0.340 0.000 2.009 431 K HA -0.147 4.163 4.320 -0.016 0.000 0.210 431 K C 2.321 178.799 176.600 -0.203 0.000 1.049 431 K CA 2.161 58.300 56.287 -0.247 0.000 0.929 431 K CB -0.275 32.067 32.500 -0.264 0.000 0.714 431 K HN 0.336 nan 8.250 nan 0.000 0.440 432 T N -1.787 112.623 114.554 -0.239 0.000 3.035 432 T HA -0.040 4.300 4.350 -0.016 0.000 0.259 432 T C 0.602 175.252 174.700 -0.083 0.000 1.078 432 T CA 0.572 62.574 62.100 -0.164 0.000 1.132 432 T CB 0.154 68.897 68.868 -0.208 0.000 0.900 432 T HN -0.052 nan 8.240 nan 0.000 0.480 433 D N 2.275 122.632 120.400 -0.072 0.000 2.441 433 D HA 0.323 4.953 4.640 -0.016 0.000 0.287 433 D C -1.860 174.449 176.300 0.016 0.000 1.198 433 D CA -2.523 51.491 54.000 0.023 0.000 0.894 433 D CB 1.601 42.472 40.800 0.118 0.000 1.070 433 D HN 0.015 nan 8.370 nan 0.000 0.499 434 P HA -0.135 nan 4.420 nan 0.000 0.218 434 P C 1.080 178.362 177.300 -0.031 0.000 1.149 434 P CA 0.880 63.946 63.100 -0.057 0.000 0.817 434 P CB 0.611 32.274 31.700 -0.062 0.000 0.785 435 Q N -0.984 118.740 119.800 -0.127 0.000 2.269 435 Q HA 0.119 4.450 4.340 -0.016 0.000 0.201 435 Q C 1.528 177.371 176.000 -0.262 0.000 0.946 435 Q CA 1.187 56.831 55.803 -0.264 0.000 0.877 435 Q CB -0.587 27.816 28.738 -0.558 0.000 0.963 435 Q HN 0.357 nan 8.270 nan 0.000 0.472 436 G N 1.421 110.116 108.800 -0.176 0.000 2.204 436 G HA2 -0.243 3.707 3.960 -0.016 0.000 0.244 436 G HA3 -0.243 3.707 3.960 -0.016 0.000 0.244 436 G C 0.433 175.276 174.900 -0.095 0.000 1.062 436 G CA 0.374 45.410 45.100 -0.107 0.000 0.798 436 G HN 0.349 nan 8.290 nan 0.000 0.496 437 H N -1.421 117.700 119.070 0.084 0.000 2.352 437 H HA -0.145 4.403 4.556 -0.013 0.000 0.299 437 H C 2.059 177.451 175.328 0.106 0.000 1.097 437 H CA 1.773 57.863 56.048 0.069 0.000 1.311 437 H CB -0.214 29.594 29.762 0.077 0.000 1.377 437 H HN 0.654 nan 8.280 nan 0.000 0.504 438 Y N 1.284 121.692 120.300 0.181 0.000 2.181 438 Y HA -0.177 4.363 4.550 -0.017 0.000 0.288 438 Y C 2.533 178.539 175.900 0.177 0.000 1.146 438 Y CA 1.143 59.372 58.100 0.215 0.000 1.164 438 Y CB -0.492 38.106 38.460 0.229 0.000 0.982 438 Y HN 0.023 nan 8.280 nan 0.000 0.515 439 I N -0.267 120.376 120.570 0.122 0.000 2.202 439 I HA -0.306 3.854 4.170 -0.016 0.000 0.242 439 I C 2.433 178.495 176.117 -0.092 0.000 1.091 439 I CA 1.370 62.644 61.300 -0.043 0.000 1.368 439 I CB -0.417 37.472 38.000 -0.184 0.000 1.058 439 I HN 0.118 nan 8.210 nan 0.000 0.410 440 R N 0.675 121.131 120.500 -0.073 0.000 2.120 440 R HA -0.196 4.134 4.340 -0.016 0.000 0.234 440 R C 2.297 178.528 176.300 -0.114 0.000 1.123 440 R CA 1.243 57.297 56.100 -0.077 0.000 0.975 440 R CB -0.303 29.981 30.300 -0.026 0.000 0.866 440 R HN 0.360 nan 8.270 nan 0.000 0.446 441 K N 0.048 120.346 120.400 -0.170 0.000 2.007 441 K HA -0.131 4.180 4.320 -0.016 0.000 0.206 441 K C 1.430 177.748 176.600 -0.470 0.000 1.047 441 K CA 1.392 57.459 56.287 -0.366 0.000 0.937 441 K CB 0.040 32.215 32.500 -0.541 0.000 0.718 441 K HN 0.122 nan 8.250 nan 0.000 0.438 442 Y N -0.367 119.793 120.300 -0.234 0.000 2.510 442 Y HA 0.108 4.649 4.550 -0.014 0.000 0.273 442 Y C 0.380 176.191 175.900 -0.149 0.000 1.119 442 Y CA -0.073 57.891 58.100 -0.227 0.000 1.286 442 Y CB 0.965 39.201 38.460 -0.374 0.000 1.061 442 Y HN -0.228 nan 8.280 nan 0.000 0.542 443 V N 3.404 123.302 119.914 -0.026 0.000 2.225 443 V HA 0.175 4.285 4.120 -0.016 0.000 0.264 443 V C -1.813 174.242 176.094 -0.065 0.000 1.067 443 V CA -1.264 61.019 62.300 -0.028 0.000 0.903 443 V CB 0.856 32.648 31.823 -0.051 0.000 1.136 443 V HN 0.039 nan 8.190 nan 0.000 0.456 444 P HA -0.064 nan 4.420 nan 0.000 0.234 444 P C 0.994 178.282 177.300 -0.021 0.000 1.167 444 P CA 0.742 63.814 63.100 -0.047 0.000 0.763 444 P CB 0.645 32.319 31.700 -0.044 0.000 0.835 445 E N 0.421 120.616 120.200 -0.009 0.000 2.110 445 E HA -0.092 4.248 4.350 -0.016 0.000 0.193 445 E C 1.493 178.097 176.600 0.007 0.000 0.988 445 E CA 1.033 57.445 56.400 0.020 0.000 0.804 445 E CB -0.705 29.036 29.700 0.068 0.000 0.745 445 E HN 0.321 nan 8.360 nan 0.000 0.458 446 L N 0.697 121.859 121.223 -0.102 0.000 2.791 446 L HA 0.177 4.507 4.340 -0.016 0.000 0.239 446 L C 1.484 178.348 176.870 -0.009 0.000 1.203 446 L CA -0.048 54.722 54.840 -0.117 0.000 1.002 446 L CB 0.079 41.813 42.059 -0.541 0.000 1.295 446 L HN 0.088 nan 8.230 nan 0.000 0.504 447 S N -0.883 114.815 115.700 -0.003 0.000 2.474 447 S HA -0.109 4.351 4.470 -0.016 0.000 0.235 447 S C 1.670 176.271 174.600 0.003 0.000 0.997 447 S CA 0.677 58.868 58.200 -0.015 0.000 0.949 447 S CB -0.116 63.071 63.200 -0.021 0.000 0.766 447 S HN 0.453 nan 8.310 nan 0.000 0.517 448 K N -0.372 120.052 120.400 0.040 0.000 2.374 448 K HA 0.217 4.528 4.320 -0.016 0.000 0.196 448 K C -0.638 175.859 176.600 -0.172 0.000 1.023 448 K CA -0.263 56.017 56.287 -0.012 0.000 1.103 448 K CB 0.090 32.612 32.500 0.036 0.000 0.848 448 K HN 0.364 nan 8.250 nan 0.000 0.528 449 Y N 2.226 122.334 120.300 -0.321 0.000 2.497 449 Y HA 0.020 4.559 4.550 -0.017 0.000 0.334 449 Y C -1.949 173.654 175.900 -0.495 0.000 1.199 449 Y CA -2.083 55.652 58.100 -0.609 0.000 1.425 449 Y CB 0.055 38.275 38.460 -0.400 0.000 1.291 449 Y HN 0.028 nan 8.280 nan 0.000 0.562 450 P HA 0.108 nan 4.420 nan 0.000 0.274 450 P C -0.294 176.933 177.300 -0.123 0.000 1.246 450 P CA -0.033 62.921 63.100 -0.243 0.000 0.795 450 P CB 0.866 32.428 31.700 -0.229 0.000 1.006 451 A N 1.714 124.485 122.820 -0.082 0.000 2.121 451 A HA -0.008 4.303 4.320 -0.016 0.000 0.218 451 A C 2.119 179.697 177.584 -0.009 0.000 1.154 451 A CA 1.759 53.772 52.037 -0.040 0.000 0.679 451 A CB -1.622 17.351 19.000 -0.044 0.000 0.795 451 A HN 0.653 nan 8.150 nan 0.000 0.458 452 G N -1.111 107.672 108.800 -0.029 0.000 2.598 452 G HA2 -0.021 3.929 3.960 -0.016 0.000 0.215 452 G HA3 -0.021 3.929 3.960 -0.016 0.000 0.215 452 G C 0.878 175.764 174.900 -0.023 0.000 1.131 452 G CA 1.398 46.486 45.100 -0.021 0.000 0.785 452 G HN 1.154 nan 8.290 nan 0.000 0.539 453 C N -2.038 117.247 119.300 -0.025 0.000 3.680 453 C HA 0.524 4.975 4.460 -0.016 0.000 0.301 453 C C 1.464 176.399 174.990 -0.091 0.000 2.566 453 C CA -1.023 57.960 59.018 -0.058 0.000 1.614 453 C CB -1.243 26.493 27.740 -0.007 0.000 3.388 453 C HN 0.189 nan 8.230 nan 0.000 0.384 454 I N -0.124 120.396 120.570 -0.083 0.000 2.584 454 I HA 0.069 4.229 4.170 -0.016 0.000 0.255 454 I C 2.014 177.953 176.117 -0.297 0.000 1.145 454 I CA 1.185 62.354 61.300 -0.219 0.000 1.462 454 I CB 0.132 38.017 38.000 -0.191 0.000 1.102 454 I HN 0.426 nan 8.210 nan 0.000 0.433 455 Y N 1.666 121.852 120.300 -0.190 0.000 2.457 455 Y HA -0.023 4.518 4.550 -0.016 0.000 0.292 455 Y C 0.638 176.374 175.900 -0.274 0.000 1.125 455 Y CA 0.408 58.432 58.100 -0.127 0.000 1.254 455 Y CB 0.216 38.629 38.460 -0.079 0.000 1.012 455 Y HN 0.282 nan 8.280 nan 0.000 0.555 456 E N -0.977 118.983 120.200 -0.400 0.000 3.132 456 E HA 0.230 4.570 4.350 -0.016 0.000 0.241 456 E C -2.755 173.261 176.600 -0.974 0.000 1.196 456 E CA -1.857 53.829 56.400 -1.190 0.000 0.869 456 E CB 1.248 30.350 29.700 -0.998 0.000 1.387 456 E HN 0.091 nan 8.360 nan 0.000 0.393 457 P HA -0.132 nan 4.420 nan 0.000 0.219 457 P C 0.934 178.218 177.300 -0.026 0.000 1.150 457 P CA 0.798 63.732 63.100 -0.276 0.000 0.814 457 P CB -0.260 31.258 31.700 -0.302 0.000 0.787 458 W N 0.144 121.505 121.300 0.102 0.000 2.538 458 W HA 0.045 4.695 4.660 -0.016 0.000 0.254 458 W C 1.308 177.902 176.519 0.125 0.000 1.249 458 W CA 0.510 57.930 57.345 0.124 0.000 1.253 458 W CB -1.294 28.223 29.460 0.094 0.000 1.130 458 W HN -0.182 nan 8.180 nan 0.000 0.618 459 K N 1.042 121.355 120.400 -0.145 0.000 2.167 459 K HA 0.117 4.428 4.320 -0.016 0.000 0.203 459 K C 1.055 177.700 176.600 0.074 0.000 1.052 459 K CA 0.898 57.169 56.287 -0.027 0.000 0.956 459 K CB -0.699 31.714 32.500 -0.145 0.000 0.735 459 K HN 0.188 nan 8.250 nan 0.000 0.451 460 A N 2.220 125.110 122.820 0.117 0.000 2.388 460 A HA 0.234 4.544 4.320 -0.016 0.000 0.257 460 A C 0.439 178.109 177.584 0.143 0.000 1.095 460 A CA -0.296 51.841 52.037 0.166 0.000 0.791 460 A CB 0.261 19.442 19.000 0.302 0.000 1.029 460 A HN 0.292 nan 8.150 nan 0.000 0.489 461 S N 1.742 117.494 115.700 0.086 0.000 2.589 461 S HA 0.189 4.650 4.470 -0.016 0.000 0.265 461 S C 1.064 175.686 174.600 0.037 0.000 1.342 461 S CA 0.009 58.245 58.200 0.059 0.000 1.005 461 S CB 0.433 63.648 63.200 0.025 0.000 0.909 461 S HN 1.053 nan 8.310 nan 0.000 0.555 462 L N 2.369 123.618 121.223 0.042 0.000 2.012 462 L HA -0.106 4.224 4.340 -0.016 0.000 0.210 462 L C 2.440 179.290 176.870 -0.035 0.000 1.073 462 L CA 2.221 57.080 54.840 0.031 0.000 0.748 462 L CB -0.915 41.171 42.059 0.045 0.000 0.891 462 L HN 0.808 nan 8.230 nan 0.000 0.431 463 V N -3.538 116.345 119.914 -0.051 0.000 2.568 463 V HA -0.238 3.873 4.120 -0.016 0.000 0.253 463 V C 2.033 178.008 176.094 -0.199 0.000 1.072 463 V CA 2.032 64.276 62.300 -0.094 0.000 1.084 463 V CB -1.084 30.698 31.823 -0.068 0.000 0.676 463 V HN 0.431 nan 8.190 nan 0.000 0.469 464 D N -0.013 120.236 120.400 -0.252 0.000 2.162 464 D HA -0.072 4.558 4.640 -0.016 0.000 0.205 464 D C 2.419 178.225 176.300 -0.823 0.000 0.964 464 D CA 1.345 55.002 54.000 -0.573 0.000 0.847 464 D CB -0.176 40.388 40.800 -0.393 0.000 0.988 464 D HN 0.590 nan 8.370 nan 0.000 0.480 465 Q N 0.477 120.078 119.800 -0.331 0.000 2.112 465 Q HA -0.133 4.197 4.340 -0.016 0.000 0.206 465 Q C 2.239 178.144 176.000 -0.158 0.000 0.987 465 Q CA 1.195 56.919 55.803 -0.132 0.000 0.858 465 Q CB -0.038 28.758 28.738 0.098 0.000 0.905 465 Q HN 0.236 nan 8.270 nan 0.000 0.420 466 R N 0.104 120.513 120.500 -0.152 0.000 2.096 466 R HA -0.083 4.247 4.340 -0.016 0.000 0.235 466 R C 2.204 178.405 176.300 -0.165 0.000 1.127 466 R CA 1.153 57.188 56.100 -0.108 0.000 0.968 466 R CB -0.324 29.928 30.300 -0.080 0.000 0.861 466 R HN 0.197 nan 8.270 nan 0.000 0.440 467 A N 0.231 122.860 122.820 -0.320 0.000 2.066 467 A HA -0.101 4.210 4.320 -0.016 0.000 0.218 467 A C 0.984 178.418 177.584 -0.249 0.000 1.157 467 A CA 0.878 52.723 52.037 -0.320 0.000 0.670 467 A CB -0.216 18.532 19.000 -0.419 0.000 0.804 467 A HN 0.292 nan 8.150 nan 0.000 0.453 468 Y N -0.809 119.366 120.300 -0.208 0.000 2.466 468 Y HA 0.379 4.919 4.550 -0.016 0.000 0.272 468 Y C 1.779 177.609 175.900 -0.116 0.000 1.169 468 Y CA -0.641 57.300 58.100 -0.265 0.000 1.285 468 Y CB -0.716 37.327 38.460 -0.696 0.000 1.078 468 Y HN 0.374 nan 8.280 nan 0.000 0.523 469 G N 0.046 108.868 108.800 0.037 0.000 2.160 469 G HA2 -0.296 3.655 3.960 -0.016 0.000 0.251 469 G HA3 -0.296 3.655 3.960 -0.016 0.000 0.251 469 G C -0.183 174.779 174.900 0.104 0.000 1.008 469 G CA 0.199 45.333 45.100 0.056 0.000 0.724 469 G HN 0.460 nan 8.290 nan 0.000 0.514 470 C N 0.313 119.706 119.300 0.155 0.000 2.679 470 C HA 0.621 5.071 4.460 -0.016 0.000 0.354 470 C C 0.103 175.241 174.990 0.246 0.000 1.067 470 C CA -0.297 58.859 59.018 0.231 0.000 1.317 470 C CB 0.747 28.705 27.740 0.363 0.000 1.843 470 C HN 0.958 nan 8.230 nan 0.000 0.459 471 V N 7.782 127.795 119.914 0.166 0.000 2.439 471 V HA 0.548 4.658 4.120 -0.016 0.000 0.282 471 V C -0.013 176.170 176.094 0.148 0.000 1.039 471 V CA -0.341 62.050 62.300 0.152 0.000 0.913 471 V CB 1.574 33.456 31.823 0.098 0.000 0.983 471 V HN 0.829 nan 8.190 nan 0.000 0.460 472 L N 7.156 128.479 121.223 0.167 0.000 2.416 472 L HA 0.512 4.843 4.340 -0.016 0.000 0.272 472 L C 1.488 178.278 176.870 -0.134 0.000 1.161 472 L CA 1.131 56.016 54.840 0.076 0.000 0.845 472 L CB 0.716 42.898 42.059 0.204 0.000 1.119 472 L HN 1.021 nan 8.230 nan 0.000 0.464 473 G N 1.640 110.151 108.800 -0.482 0.000 2.308 473 G HA2 -0.292 3.658 3.960 -0.016 0.000 0.221 473 G HA3 -0.292 3.658 3.960 -0.016 0.000 0.221 473 G C 0.752 175.581 174.900 -0.119 0.000 1.032 473 G CA 0.403 45.231 45.100 -0.454 0.000 0.623 473 G HN 0.589 nan 8.290 nan 0.000 0.506 474 T N 0.360 114.891 114.554 -0.039 0.000 3.234 474 T HA 0.190 4.531 4.350 -0.016 0.000 0.235 474 T C 1.593 176.306 174.700 0.021 0.000 0.971 474 T CA 1.230 63.334 62.100 0.007 0.000 1.292 474 T CB -0.184 68.705 68.868 0.035 0.000 0.994 474 T HN 0.158 nan 8.240 nan 0.000 0.412 475 D N -0.075 120.362 120.400 0.060 0.000 2.234 475 D HA 0.078 4.708 4.640 -0.016 0.000 0.205 475 D C -0.122 176.275 176.300 0.161 0.000 0.962 475 D CA 0.943 55.002 54.000 0.098 0.000 0.855 475 D CB 0.245 41.116 40.800 0.118 0.000 0.951 475 D HN 0.334 nan 8.370 nan 0.000 0.500 476 Y N -0.206 120.077 120.300 -0.028 0.000 2.401 476 Y HA 0.305 4.846 4.550 -0.016 0.000 0.330 476 Y C -2.662 173.177 175.900 -0.103 0.000 1.071 476 Y CA -2.479 55.594 58.100 -0.045 0.000 1.049 476 Y CB 1.966 40.401 38.460 -0.042 0.000 1.239 476 Y HN -0.258 nan 8.280 nan 0.000 0.437 477 P HA 0.047 nan 4.420 nan 0.000 0.267 477 P C -0.745 176.343 177.300 -0.354 0.000 1.200 477 P CA 0.465 63.305 63.100 -0.433 0.000 0.772 477 P CB 0.419 31.900 31.700 -0.366 0.000 0.855 478 H N 1.615 120.663 119.070 -0.036 0.000 2.790 478 H HA 0.057 4.604 4.556 -0.016 0.000 0.358 478 H C 0.853 176.157 175.328 -0.041 0.000 1.103 478 H CA 0.044 56.100 56.048 0.013 0.000 1.426 478 H CB 0.382 30.160 29.762 0.028 0.000 1.424 478 H HN 0.439 nan 8.280 nan 0.000 0.599 479 R N 2.842 123.350 120.500 0.012 0.000 2.446 479 R HA 0.040 4.371 4.340 -0.016 0.000 0.314 479 R C 1.233 177.522 176.300 -0.018 0.000 1.003 479 R CA -0.055 55.934 56.100 -0.184 0.000 1.018 479 R CB -0.310 29.501 30.300 -0.816 0.000 0.945 479 R HN 0.699 nan 8.270 nan 0.000 0.419 480 I N 1.035 121.682 120.570 0.128 0.000 2.361 480 I HA -0.124 4.036 4.170 -0.016 0.000 0.251 480 I C 0.555 176.737 176.117 0.107 0.000 1.133 480 I CA 0.419 61.827 61.300 0.181 0.000 1.413 480 I CB -0.394 37.757 38.000 0.250 0.000 1.073 480 I HN 0.453 nan 8.210 nan 0.000 0.424 481 V N -1.617 118.370 119.914 0.122 0.000 3.102 481 V HA 0.520 4.631 4.120 -0.016 0.000 0.312 481 V C -0.669 175.518 176.094 0.155 0.000 1.135 481 V CA -1.172 61.172 62.300 0.073 0.000 1.022 481 V CB 1.838 33.630 31.823 -0.051 0.000 1.056 481 V HN 0.077 nan 8.190 nan 0.000 0.436 482 K N 0.986 121.438 120.400 0.087 0.000 2.299 482 K HA 0.320 4.630 4.320 -0.016 0.000 0.268 482 K C 0.509 177.226 176.600 0.196 0.000 1.075 482 K CA -0.531 55.817 56.287 0.102 0.000 0.936 482 K CB 0.896 33.402 32.500 0.010 0.000 1.228 482 K HN 0.958 nan 8.250 nan 0.000 0.454 483 H N 3.705 122.925 119.070 0.250 0.000 2.289 483 H HA -0.205 4.341 4.556 -0.016 0.000 0.296 483 H C 1.793 177.284 175.328 0.270 0.000 1.091 483 H CA 2.519 58.685 56.048 0.196 0.000 1.274 483 H CB 0.480 30.353 29.762 0.184 0.000 1.364 483 H HN 0.668 nan 8.280 nan 0.000 0.490 484 E N 0.344 120.662 120.200 0.196 0.000 2.396 484 E HA -0.103 4.238 4.350 -0.016 0.000 0.200 484 E C 1.891 178.562 176.600 0.117 0.000 1.023 484 E CA 1.297 57.809 56.400 0.188 0.000 0.857 484 E CB -0.408 29.413 29.700 0.202 0.000 0.775 484 E HN 0.488 nan 8.360 nan 0.000 0.525 485 V N 1.238 121.189 119.914 0.061 0.000 2.627 485 V HA -0.114 3.997 4.120 -0.016 0.000 0.239 485 V C 2.653 178.691 176.094 -0.093 0.000 1.077 485 V CA 1.035 63.319 62.300 -0.027 0.000 1.103 485 V CB 0.228 32.043 31.823 -0.013 0.000 0.802 485 V HN 0.295 nan 8.190 nan 0.000 0.482 486 V N 0.302 120.184 119.914 -0.053 0.000 2.515 486 V HA -0.239 3.872 4.120 -0.016 0.000 0.250 486 V C 2.533 178.550 176.094 -0.128 0.000 1.058 486 V CA 2.340 64.583 62.300 -0.094 0.000 1.064 486 V CB -1.418 30.365 31.823 -0.067 0.000 0.675 486 V HN 0.817 nan 8.190 nan 0.000 0.461 487 H N 1.277 120.212 119.070 -0.225 0.000 2.423 487 H HA -0.022 4.524 4.556 -0.016 0.000 0.297 487 H C 1.925 177.142 175.328 -0.186 0.000 1.075 487 H CA 1.834 57.756 56.048 -0.210 0.000 1.342 487 H CB -0.298 29.248 29.762 -0.361 0.000 1.395 487 H HN 0.435 nan 8.280 nan 0.000 0.530 488 K N 0.278 120.164 120.400 -0.857 0.000 2.103 488 K HA -0.120 4.190 4.320 -0.016 0.000 0.204 488 K C 2.258 178.632 176.600 -0.376 0.000 1.052 488 K CA 1.276 57.181 56.287 -0.636 0.000 0.945 488 K CB 0.167 32.337 32.500 -0.548 0.000 0.722 488 K HN 0.204 nan 8.250 nan 0.000 0.443 489 E N 1.459 121.466 120.200 -0.322 0.000 2.150 489 E HA -0.151 4.189 4.350 -0.016 0.000 0.193 489 E C 1.356 177.728 176.600 -0.380 0.000 0.985 489 E CA 1.424 57.644 56.400 -0.300 0.000 0.814 489 E CB -0.036 29.506 29.700 -0.263 0.000 0.752 489 E HN 0.174 nan 8.360 nan 0.000 0.466 490 N N -0.074 118.411 118.700 -0.358 0.000 2.270 490 N HA -0.027 4.704 4.740 -0.016 0.000 0.181 490 N C 1.720 177.082 175.510 -0.248 0.000 1.016 490 N CA 0.913 53.717 53.050 -0.409 0.000 0.870 490 N CB -0.144 38.305 38.487 -0.063 0.000 0.979 490 N HN 0.256 nan 8.380 nan 0.000 0.431 491 I N 1.231 121.684 120.570 -0.196 0.000 2.163 491 I HA -0.284 3.876 4.170 -0.016 0.000 0.243 491 I C 1.919 177.914 176.117 -0.203 0.000 1.085 491 I CA 1.267 62.479 61.300 -0.146 0.000 1.347 491 I CB -0.077 37.765 38.000 -0.262 0.000 1.044 491 I HN 0.115 nan 8.210 nan 0.000 0.408 492 K N 0.249 120.508 120.400 -0.235 0.000 2.097 492 K HA -0.153 4.158 4.320 -0.016 0.000 0.206 492 K C 2.239 178.683 176.600 -0.259 0.000 1.049 492 K CA 1.142 57.305 56.287 -0.207 0.000 0.933 492 K CB -0.196 32.187 32.500 -0.195 0.000 0.717 492 K HN 0.299 nan 8.250 nan 0.000 0.442 493 R N 0.098 120.381 120.500 -0.363 0.000 2.092 493 R HA 0.006 4.336 4.340 -0.016 0.000 0.231 493 R C 2.350 178.511 176.300 -0.233 0.000 1.119 493 R CA 1.044 56.900 56.100 -0.405 0.000 0.970 493 R CB -0.094 29.655 30.300 -0.917 0.000 0.864 493 R HN 0.157 nan 8.270 nan 0.000 0.440 494 M N -0.556 118.881 119.600 -0.270 0.000 2.099 494 M HA -0.053 4.418 4.480 -0.016 0.000 0.262 494 M C 2.369 178.201 176.300 -0.779 0.000 1.067 494 M CA 1.618 56.630 55.300 -0.479 0.000 1.124 494 M CB -1.226 30.929 32.600 -0.742 0.000 1.353 494 M HN 0.272 nan 8.290 nan 0.000 0.410 495 G N -0.216 108.120 108.800 -0.774 0.000 2.422 495 G HA2 -0.090 3.861 3.960 -0.016 0.000 0.218 495 G HA3 -0.090 3.861 3.960 -0.016 0.000 0.218 495 G C 1.651 176.468 174.900 -0.138 0.000 1.146 495 G CA 1.242 46.096 45.100 -0.410 0.000 0.769 495 G HN 0.543 nan 8.290 nan 0.000 0.547 496 A N 1.160 123.897 122.820 -0.138 0.000 1.877 496 A HA 0.292 4.602 4.320 -0.016 0.000 0.216 496 A C 2.782 180.350 177.584 -0.027 0.000 1.186 496 A CA 2.256 54.251 52.037 -0.071 0.000 0.620 496 A CB -0.758 18.185 19.000 -0.095 0.000 0.822 496 A HN 0.796 nan 8.150 nan 0.000 0.443 497 A N -2.118 120.687 122.820 -0.024 0.000 2.014 497 A HA 0.045 4.356 4.320 -0.016 0.000 0.218 497 A C 2.002 179.657 177.584 0.117 0.000 1.163 497 A CA 1.185 53.238 52.037 0.025 0.000 0.652 497 A CB -0.632 18.369 19.000 0.003 0.000 0.808 497 A HN 0.525 nan 8.150 nan 0.000 0.449 498 Y N 0.439 120.671 120.300 -0.113 0.000 2.293 498 Y HA -0.085 4.455 4.550 -0.016 0.000 0.291 498 Y C 2.316 178.191 175.900 -0.042 0.000 1.137 498 Y CA 1.176 59.233 58.100 -0.071 0.000 1.202 498 Y CB -0.216 38.201 38.460 -0.072 0.000 0.990 498 Y HN 0.282 nan 8.280 nan 0.000 0.537 499 K N -0.611 119.854 120.400 0.107 0.000 2.025 499 K HA -0.130 4.180 4.320 -0.016 0.000 0.207 499 K C 2.041 178.647 176.600 0.010 0.000 1.049 499 K CA 1.577 57.890 56.287 0.044 0.000 0.933 499 K CB -0.543 31.975 32.500 0.030 0.000 0.714 499 K HN 0.071 nan 8.250 nan 0.000 0.438 500 V N 2.566 122.484 119.914 0.006 0.000 2.324 500 V HA -0.311 3.800 4.120 -0.016 0.000 0.250 500 V C 1.880 177.961 176.094 -0.021 0.000 1.060 500 V CA 1.833 64.127 62.300 -0.010 0.000 1.042 500 V CB -0.570 31.245 31.823 -0.012 0.000 0.650 500 V HN 0.393 nan 8.190 nan 0.000 0.450 501 N N -0.318 118.362 118.700 -0.034 0.000 2.270 501 N HA -0.145 4.585 4.740 -0.016 0.000 0.181 501 N C 2.085 177.557 175.510 -0.063 0.000 1.016 501 N CA 1.043 54.059 53.050 -0.058 0.000 0.870 501 N CB -0.145 38.284 38.487 -0.097 0.000 0.979 501 N HN 0.432 nan 8.380 nan 0.000 0.431 502 R N 1.526 121.990 120.500 -0.060 0.000 2.096 502 R HA -0.083 4.248 4.340 -0.016 0.000 0.235 502 R C 1.699 177.978 176.300 -0.035 0.000 1.127 502 R CA 1.047 57.115 56.100 -0.053 0.000 0.968 502 R CB 0.171 30.449 30.300 -0.037 0.000 0.861 502 R HN 0.158 nan 8.270 nan 0.000 0.440 503 E N 0.113 120.298 120.200 -0.025 0.000 2.058 503 E HA -0.175 4.166 4.350 -0.016 0.000 0.194 503 E C 2.055 178.643 176.600 -0.020 0.000 0.997 503 E CA 1.589 57.978 56.400 -0.019 0.000 0.801 503 E CB -0.318 29.373 29.700 -0.014 0.000 0.746 503 E HN 0.238 nan 8.360 nan 0.000 0.450 504 V N 1.036 120.936 119.914 -0.023 0.000 2.407 504 V HA -0.180 3.930 4.120 -0.016 0.000 0.248 504 V C 1.861 177.942 176.094 -0.022 0.000 1.055 504 V CA 1.432 63.719 62.300 -0.021 0.000 1.049 504 V CB -0.577 31.232 31.823 -0.023 0.000 0.662 504 V HN 0.117 nan 8.190 nan 0.000 0.455 505 R N 0.000 120.483 120.500 -0.028 0.000 2.786 505 R HA 0.000 4.330 4.340 -0.016 0.000 0.208 505 R CA 0.000 56.084 56.100 -0.027 0.000 0.921 505 R CB 0.000 30.278 30.300 -0.036 0.000 0.687 505 R HN 0.000 nan 8.270 nan 0.000 0.535