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 2zbl_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKWFNTLSHN RWLEQETDRI FNFGKNAVVP TGFGWLGNKG QIKEEMGTHL DATA SEQUENCE WITARMLHVY SVAASMGRPG AYDLVDHGIK AMNGALRDKK YGGWYACVND DATA SEQUENCE QGVVDASKQG YQHFFALLGA ASAVTTGHPE ARKLLDYTIE VIEKYFWSEE DATA SEQUENCE EQMCLESWDE AFSQTEDYRG GNANMHAVEA FLIVYDVTHD KKWLDRALRI DATA SEQUENCE ASVIIHDVAR NGDYRVNEHF DSQWNPIRDY NKDNPAHRFR AYGGTPGAWI DATA SEQUENCE EWGRLMLHLH AALEARFETP PAWLLEDAKG LFHATIRDAW APDGADGFVY DATA SEQUENCE SVDWDGKPIV RERVRWPIVE AMGTAYALYT LTDDSQYEEW YQKWWDYCIK DATA SEQUENCE YLMDYENGSW WQELDADNKV TTKVWDGKQD IYHLLHCLVI PRLPLAPGLA DATA SEQUENCE PAVAAGLLDI NAXXXXXHHH H VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.164 176.300 -0.226 0.000 1.140 1 M CA 0.000 55.213 55.300 -0.145 0.000 0.988 1 M CB 0.000 32.481 32.600 -0.198 0.000 1.302 2 K N 3.694 124.021 120.400 -0.122 0.000 2.263 2 K HA 0.334 4.669 4.320 0.025 0.000 0.272 2 K C -0.702 175.928 176.600 0.051 0.000 1.033 2 K CA -0.196 55.961 56.287 -0.217 0.000 0.884 2 K CB 1.294 33.447 32.500 -0.578 0.000 1.107 2 K HN 0.732 nan 8.250 nan 0.000 0.460 3 W N 1.013 122.096 121.300 -0.362 0.000 3.033 3 W HA 0.209 4.883 4.660 0.024 0.000 0.250 3 W C 0.301 176.745 176.519 -0.125 0.000 1.105 3 W CA -0.487 56.653 57.345 -0.342 0.000 1.655 3 W CB -0.613 28.443 29.460 -0.674 0.000 1.001 3 W HN 0.328 nan 8.180 nan 0.000 0.653 4 F N 2.725 122.718 119.950 0.073 0.000 2.629 4 F HA -0.041 4.499 4.527 0.022 0.000 0.377 4 F C 1.247 177.127 175.800 0.134 0.000 1.101 4 F CA 0.339 58.385 58.000 0.077 0.000 1.301 4 F CB -0.898 38.024 39.000 -0.130 0.000 1.062 4 F HN 0.172 nan 8.300 nan 0.000 0.583 5 N N -1.194 117.754 118.700 0.414 0.000 2.725 5 N HA -0.191 4.564 4.740 0.025 0.000 0.249 5 N C -0.643 175.013 175.510 0.244 0.000 1.103 5 N CA 0.725 53.950 53.050 0.292 0.000 0.707 5 N CB -1.283 37.371 38.487 0.278 0.000 1.043 5 N HN 0.712 nan 8.380 nan 0.000 0.553 6 T N -2.817 111.890 114.554 0.253 0.000 2.823 6 T HA 0.562 4.927 4.350 0.025 0.000 0.279 6 T C 1.110 175.920 174.700 0.184 0.000 0.998 6 T CA -1.042 61.193 62.100 0.224 0.000 0.994 6 T CB 1.856 70.861 68.868 0.228 0.000 0.960 6 T HN 0.094 nan 8.240 nan 0.000 0.448 7 L N 2.184 123.490 121.223 0.139 0.000 2.141 7 L HA -0.086 4.269 4.340 0.025 0.000 0.209 7 L C 3.060 179.976 176.870 0.076 0.000 1.094 7 L CA 1.473 56.371 54.840 0.096 0.000 0.763 7 L CB -0.657 41.445 42.059 0.072 0.000 0.908 7 L HN 0.927 nan 8.230 nan 0.000 0.437 8 S N -1.100 114.647 115.700 0.077 0.000 2.356 8 S HA -0.301 4.184 4.470 0.025 0.000 0.223 8 S C 1.953 176.571 174.600 0.030 0.000 1.032 8 S CA 1.447 59.671 58.200 0.039 0.000 1.005 8 S CB -0.678 62.534 63.200 0.019 0.000 0.867 8 S HN 0.519 nan 8.310 nan 0.000 0.449 9 H N 2.625 121.649 119.070 -0.077 0.000 2.321 9 H HA 0.062 4.632 4.556 0.023 0.000 0.300 9 H C 1.856 177.199 175.328 0.024 0.000 1.087 9 H CA 2.049 58.011 56.048 -0.145 0.000 1.319 9 H CB -0.624 29.044 29.762 -0.158 0.000 1.379 9 H HN 0.353 nan 8.280 nan 0.000 0.501 10 N N 0.228 118.923 118.700 -0.008 0.000 2.223 10 N HA -0.086 4.670 4.740 0.025 0.000 0.185 10 N C 1.900 177.381 175.510 -0.047 0.000 1.016 10 N CA 0.896 53.922 53.050 -0.040 0.000 0.863 10 N CB -0.186 38.334 38.487 0.056 0.000 0.983 10 N HN 0.392 nan 8.380 nan 0.000 0.429 11 R N -0.863 119.627 120.500 -0.016 0.000 2.081 11 R HA -0.122 4.233 4.340 0.025 0.000 0.235 11 R C 1.947 178.212 176.300 -0.058 0.000 1.131 11 R CA 1.207 57.292 56.100 -0.026 0.000 0.960 11 R CB -0.399 29.899 30.300 -0.003 0.000 0.856 11 R HN 0.347 nan 8.270 nan 0.000 0.436 12 W N 1.561 122.725 121.300 -0.226 0.000 2.338 12 W HA -0.179 4.494 4.660 0.022 0.000 0.304 12 W C 1.659 178.005 176.519 -0.289 0.000 1.212 12 W CA 1.379 58.563 57.345 -0.269 0.000 1.264 12 W CB -0.240 29.005 29.460 -0.358 0.000 1.142 12 W HN -0.020 nan 8.180 nan 0.000 0.512 13 L N 0.159 121.332 121.223 -0.082 0.000 2.012 13 L HA -0.264 4.091 4.340 0.025 0.000 0.210 13 L C 2.519 179.264 176.870 -0.210 0.000 1.073 13 L CA 2.107 56.871 54.840 -0.126 0.000 0.748 13 L CB -1.107 40.904 42.059 -0.079 0.000 0.891 13 L HN 0.091 nan 8.230 nan 0.000 0.431 14 E N -0.086 120.013 120.200 -0.168 0.000 2.077 14 E HA -0.267 4.098 4.350 0.025 0.000 0.193 14 E C 2.206 178.677 176.600 -0.215 0.000 0.989 14 E CA 1.253 57.563 56.400 -0.150 0.000 0.800 14 E CB 0.064 29.718 29.700 -0.076 0.000 0.746 14 E HN 0.504 nan 8.360 nan 0.000 0.452 15 Q N -0.019 119.612 119.800 -0.282 0.000 2.124 15 Q HA -0.214 4.141 4.340 0.025 0.000 0.202 15 Q C 2.052 177.829 176.000 -0.372 0.000 0.977 15 Q CA 1.551 57.172 55.803 -0.303 0.000 0.850 15 Q CB -0.049 28.491 28.738 -0.331 0.000 0.901 15 Q HN 0.156 nan 8.270 nan 0.000 0.429 16 E N 0.246 120.108 120.200 -0.563 0.000 2.106 16 E HA -0.127 4.238 4.350 0.025 0.000 0.192 16 E C 1.737 178.151 176.600 -0.310 0.000 0.984 16 E CA 1.701 57.821 56.400 -0.467 0.000 0.806 16 E CB -0.211 29.100 29.700 -0.648 0.000 0.750 16 E HN 0.216 nan 8.360 nan 0.000 0.458 17 T N 1.139 115.482 114.554 -0.352 0.000 2.699 17 T HA -0.162 4.203 4.350 0.025 0.000 0.268 17 T C 1.238 175.552 174.700 -0.643 0.000 1.036 17 T CA 1.514 63.288 62.100 -0.542 0.000 1.147 17 T CB -0.435 68.112 68.868 -0.535 0.000 0.862 17 T HN 0.216 nan 8.240 nan 0.000 0.446 18 D N 0.486 120.696 120.400 -0.316 0.000 2.144 18 D HA -0.056 4.599 4.640 0.025 0.000 0.199 18 D C 2.279 178.564 176.300 -0.024 0.000 0.984 18 D CA 0.782 54.737 54.000 -0.075 0.000 0.834 18 D CB -0.255 40.548 40.800 0.006 0.000 0.955 18 D HN 0.307 nan 8.370 nan 0.000 0.465 19 R N 0.300 120.752 120.500 -0.080 0.000 2.081 19 R HA -0.125 4.230 4.340 0.025 0.000 0.235 19 R C 2.122 178.431 176.300 0.015 0.000 1.131 19 R CA 0.827 56.920 56.100 -0.013 0.000 0.960 19 R CB -0.019 30.261 30.300 -0.033 0.000 0.856 19 R HN 0.082 nan 8.270 nan 0.000 0.436 20 I N 0.392 120.904 120.570 -0.097 0.000 2.163 20 I HA -0.237 3.948 4.170 0.025 0.000 0.240 20 I C 2.076 178.243 176.117 0.083 0.000 1.081 20 I CA 1.255 62.501 61.300 -0.091 0.000 1.353 20 I CB -1.378 36.454 38.000 -0.279 0.000 1.054 20 I HN 0.072 nan 8.210 nan 0.000 0.407 21 F N 1.838 121.800 119.950 0.020 0.000 2.120 21 F HA -0.240 4.301 4.527 0.023 0.000 0.300 21 F C 2.418 178.346 175.800 0.214 0.000 1.095 21 F CA 1.163 59.219 58.000 0.093 0.000 1.249 21 F CB -1.587 37.464 39.000 0.086 0.000 0.995 21 F HN 0.224 nan 8.300 nan 0.000 0.480 22 N N -0.386 118.518 118.700 0.341 0.000 2.120 22 N HA -0.204 4.551 4.740 0.025 0.000 0.188 22 N C 1.900 177.546 175.510 0.227 0.000 1.024 22 N CA 1.043 54.235 53.050 0.237 0.000 0.852 22 N CB -0.967 37.620 38.487 0.166 0.000 1.003 22 N HN 0.272 nan 8.380 nan 0.000 0.424 23 F N 1.363 121.371 119.950 0.096 0.000 2.134 23 F HA -0.019 4.522 4.527 0.025 0.000 0.299 23 F C 2.212 178.068 175.800 0.094 0.000 1.097 23 F CA 1.562 59.600 58.000 0.062 0.000 1.264 23 F CB -0.565 38.445 39.000 0.017 0.000 1.001 23 F HN 0.041 nan 8.300 nan 0.000 0.479 24 G N -0.068 108.914 108.800 0.303 0.000 2.471 24 G HA2 -0.230 3.745 3.960 0.025 0.000 0.219 24 G HA3 -0.230 3.745 3.960 0.025 0.000 0.219 24 G C 1.674 176.678 174.900 0.174 0.000 1.125 24 G CA 0.538 45.793 45.100 0.260 0.000 0.775 24 G HN 0.328 nan 8.290 nan 0.000 0.548 25 K N 0.258 120.730 120.400 0.120 0.000 2.211 25 K HA -0.073 4.262 4.320 0.025 0.000 0.204 25 K C 1.935 178.493 176.600 -0.070 0.000 1.047 25 K CA 1.081 57.345 56.287 -0.039 0.000 0.935 25 K CB -0.191 32.280 32.500 -0.048 0.000 0.728 25 K HN 0.350 nan 8.250 nan 0.000 0.452 26 N N 0.376 119.015 118.700 -0.101 0.000 2.550 26 N HA -0.068 4.688 4.740 0.025 0.000 0.186 26 N C 1.270 176.728 175.510 -0.086 0.000 1.110 26 N CA 0.187 53.162 53.050 -0.126 0.000 0.912 26 N CB 0.131 38.503 38.487 -0.191 0.000 0.968 26 N HN 0.174 nan 8.380 nan 0.000 0.448 27 A N 0.415 123.230 122.820 -0.008 0.000 2.206 27 A HA 0.068 4.403 4.320 0.025 0.000 0.211 27 A C 0.761 178.368 177.584 0.038 0.000 1.158 27 A CA 0.084 52.171 52.037 0.084 0.000 0.761 27 A CB 0.069 19.199 19.000 0.217 0.000 0.801 27 A HN 0.022 nan 8.150 nan 0.000 0.473 28 V N 1.561 121.402 119.914 -0.123 0.000 2.540 28 V HA 0.257 4.392 4.120 0.025 0.000 0.297 28 V C 0.376 176.301 176.094 -0.282 0.000 1.024 28 V CA 0.506 62.544 62.300 -0.437 0.000 1.105 28 V CB 0.327 31.797 31.823 -0.589 0.000 0.938 28 V HN 0.455 nan 8.190 nan 0.000 0.482 29 V N 3.397 123.175 119.914 -0.227 0.000 3.102 29 V HA 0.568 4.703 4.120 0.025 0.000 0.312 29 V C -2.185 173.910 176.094 0.002 0.000 1.135 29 V CA -2.029 60.220 62.300 -0.085 0.000 1.022 29 V CB 1.682 33.494 31.823 -0.018 0.000 1.056 29 V HN 0.490 nan 8.190 nan 0.000 0.436 30 P HA -0.120 nan 4.420 nan 0.000 0.216 30 P C 1.291 178.605 177.300 0.024 0.000 1.150 30 P CA 2.490 65.619 63.100 0.048 0.000 0.843 30 P CB -0.030 31.678 31.700 0.012 0.000 0.787 31 T N -5.785 108.770 114.554 0.001 0.000 3.122 31 T HA 0.551 4.916 4.350 0.025 0.000 0.250 31 T C 0.915 175.578 174.700 -0.060 0.000 1.067 31 T CA 0.290 62.376 62.100 -0.024 0.000 0.966 31 T CB 0.194 69.073 68.868 0.018 0.000 1.002 31 T HN 0.259 nan 8.240 nan 0.000 0.542 32 G N 0.997 109.743 108.800 -0.091 0.000 2.374 32 G HA2 0.298 4.273 3.960 0.025 0.000 0.067 32 G HA3 0.298 4.273 3.960 0.025 0.000 0.067 32 G C -1.756 173.016 174.900 -0.213 0.000 1.023 32 G CA -0.971 44.044 45.100 -0.143 0.000 1.131 32 G HN 0.250 nan 8.290 nan 0.000 0.436 33 F N 1.926 121.920 119.950 0.073 0.000 2.507 33 F HA 0.671 5.214 4.527 0.026 0.000 0.325 33 F C 0.985 176.800 175.800 0.026 0.000 1.116 33 F CA 0.152 58.177 58.000 0.042 0.000 0.930 33 F CB 2.247 41.246 39.000 -0.001 0.000 1.146 33 F HN 0.703 nan 8.300 nan 0.000 0.447 34 G N 1.014 109.926 108.800 0.186 0.000 2.525 34 G HA2 0.118 4.094 3.960 0.025 0.000 0.287 34 G HA3 0.118 4.094 3.960 0.025 0.000 0.287 34 G C -1.732 173.279 174.900 0.185 0.000 1.350 34 G CA -0.404 44.804 45.100 0.180 0.000 1.039 34 G HN 0.662 nan 8.290 nan 0.000 0.513 35 W N 1.248 122.556 121.300 0.013 0.000 2.278 35 W HA 0.532 5.208 4.660 0.026 0.000 0.317 35 W C -0.939 175.591 176.519 0.019 0.000 1.030 35 W CA -1.044 56.291 57.345 -0.017 0.000 1.334 35 W CB 0.337 29.790 29.460 -0.012 0.000 1.215 35 W HN 0.177 nan 8.180 nan 0.000 0.405 36 L N 5.892 127.230 121.223 0.191 0.000 2.397 36 L HA 0.394 4.749 4.340 0.025 0.000 0.271 36 L C 1.254 178.319 176.870 0.324 0.000 1.148 36 L CA -0.075 54.871 54.840 0.177 0.000 0.825 36 L CB 0.436 42.516 42.059 0.035 0.000 1.117 36 L HN 0.451 nan 8.230 nan 0.000 0.456 37 G N 0.846 109.810 108.800 0.273 0.000 2.537 37 G HA2 0.086 4.061 3.960 0.025 0.000 0.297 37 G HA3 0.086 4.061 3.960 0.025 0.000 0.297 37 G C 0.603 175.694 174.900 0.318 0.000 1.310 37 G CA -0.510 44.770 45.100 0.299 0.000 1.027 37 G HN 0.644 nan 8.290 nan 0.000 0.505 38 N N -0.605 118.270 118.700 0.291 0.000 2.348 38 N HA -0.068 4.687 4.740 0.025 0.000 0.185 38 N C 1.410 177.053 175.510 0.222 0.000 1.019 38 N CA 0.875 54.092 53.050 0.278 0.000 0.880 38 N CB 0.112 38.816 38.487 0.362 0.000 0.965 38 N HN 0.460 nan 8.380 nan 0.000 0.437 39 K N -0.837 119.695 120.400 0.219 0.000 2.455 39 K HA 0.260 4.595 4.320 0.025 0.000 0.206 39 K C 0.494 177.192 176.600 0.164 0.000 1.027 39 K CA 0.116 56.513 56.287 0.183 0.000 1.113 39 K CB 0.850 33.428 32.500 0.131 0.000 0.850 39 K HN 0.084 nan 8.250 nan 0.000 0.503 40 G N 1.376 110.274 108.800 0.163 0.000 2.143 40 G HA2 -0.226 3.750 3.960 0.025 0.000 0.249 40 G HA3 -0.226 3.750 3.960 0.025 0.000 0.249 40 G C -0.089 174.671 174.900 -0.233 0.000 0.981 40 G CA -0.052 44.859 45.100 -0.316 0.000 0.665 40 G HN 0.190 nan 8.290 nan 0.000 0.528 41 Q N -0.444 119.327 119.800 -0.047 0.000 2.205 41 Q HA 0.607 4.962 4.340 0.025 0.000 0.249 41 Q C 0.900 176.912 176.000 0.020 0.000 0.948 41 Q CA -0.688 55.103 55.803 -0.019 0.000 0.895 41 Q CB 1.307 30.057 28.738 0.021 0.000 1.249 41 Q HN 0.457 nan 8.270 nan 0.000 0.458 42 I N 1.630 122.213 120.570 0.021 0.000 2.471 42 I HA 0.024 4.209 4.170 0.025 0.000 0.286 42 I C 0.616 176.785 176.117 0.086 0.000 1.079 42 I CA 0.110 61.449 61.300 0.065 0.000 1.398 42 I CB 0.310 38.337 38.000 0.044 0.000 1.403 42 I HN 0.150 nan 8.210 nan 0.000 0.530 43 K N 6.428 126.909 120.400 0.136 0.000 2.111 43 K HA 0.046 4.381 4.320 0.025 0.000 0.249 43 K C 0.792 177.425 176.600 0.057 0.000 1.157 43 K CA -0.236 56.098 56.287 0.078 0.000 1.048 43 K CB 0.406 32.926 32.500 0.034 0.000 1.498 43 K HN 0.453 nan 8.250 nan 0.000 0.344 44 E N 2.205 122.432 120.200 0.045 0.000 2.209 44 E HA -0.224 4.141 4.350 0.025 0.000 0.196 44 E C 1.691 178.311 176.600 0.032 0.000 0.993 44 E CA 1.143 57.569 56.400 0.043 0.000 0.819 44 E CB 0.277 29.993 29.700 0.027 0.000 0.745 44 E HN 0.584 nan 8.360 nan 0.000 0.477 45 E N -0.102 120.099 120.200 0.002 0.000 2.338 45 E HA -0.163 4.203 4.350 0.025 0.000 0.197 45 E C 1.449 178.043 176.600 -0.011 0.000 1.007 45 E CA 0.671 57.063 56.400 -0.013 0.000 0.849 45 E CB -0.185 29.493 29.700 -0.037 0.000 0.774 45 E HN 0.197 nan 8.360 nan 0.000 0.506 46 M N 0.709 120.302 119.600 -0.012 0.000 2.506 46 M HA 0.171 4.666 4.480 0.025 0.000 0.260 46 M C 1.409 177.870 176.300 0.268 0.000 1.104 46 M CA 0.949 56.288 55.300 0.065 0.000 1.112 46 M CB -1.099 31.426 32.600 -0.125 0.000 1.401 46 M HN 0.245 nan 8.290 nan 0.000 0.473 47 G N 0.731 109.636 108.800 0.175 0.000 2.575 47 G HA2 -0.236 3.739 3.960 0.025 0.000 0.267 47 G HA3 -0.236 3.739 3.960 0.025 0.000 0.267 47 G C -0.317 174.734 174.900 0.250 0.000 1.264 47 G CA 0.033 45.226 45.100 0.155 0.000 0.935 47 G HN 0.340 nan 8.290 nan 0.000 0.568 48 T N 1.224 115.883 114.554 0.176 0.000 2.770 48 T HA 0.581 4.947 4.350 0.025 0.000 0.297 48 T C -0.327 174.476 174.700 0.171 0.000 0.997 48 T CA -0.177 62.037 62.100 0.191 0.000 0.949 48 T CB 0.868 69.805 68.868 0.114 0.000 0.941 48 T HN 0.632 nan 8.240 nan 0.000 0.457 49 H N 1.981 121.113 119.070 0.102 0.000 2.487 49 H HA 0.306 4.877 4.556 0.025 0.000 0.333 49 H C 0.963 176.306 175.328 0.025 0.000 1.114 49 H CA -0.979 55.133 56.048 0.105 0.000 1.310 49 H CB 1.126 30.907 29.762 0.032 0.000 1.462 49 H HN 0.337 nan 8.280 nan 0.000 0.516 50 L N 3.527 124.883 121.223 0.222 0.000 2.012 50 L HA -0.156 4.199 4.340 0.025 0.000 0.210 50 L C 1.995 178.917 176.870 0.087 0.000 1.073 50 L CA 1.545 56.462 54.840 0.128 0.000 0.748 50 L CB -0.642 41.502 42.059 0.142 0.000 0.891 50 L HN 0.821 nan 8.230 nan 0.000 0.431 51 W N -0.224 121.088 121.300 0.019 0.000 2.363 51 W HA -0.174 4.501 4.660 0.025 0.000 0.296 51 W C 2.109 178.485 176.519 -0.238 0.000 1.212 51 W CA 1.191 58.461 57.345 -0.124 0.000 1.260 51 W CB -1.510 27.901 29.460 -0.083 0.000 1.131 51 W HN 0.206 nan 8.180 nan 0.000 0.530 52 I N 1.492 121.608 120.570 -0.756 0.000 2.202 52 I HA -0.251 3.935 4.170 0.025 0.000 0.242 52 I C 2.605 178.516 176.117 -0.342 0.000 1.091 52 I CA 2.084 62.940 61.300 -0.741 0.000 1.368 52 I CB -0.932 36.573 38.000 -0.825 0.000 1.058 52 I HN -0.094 nan 8.210 nan 0.000 0.410 53 T N 0.862 115.336 114.554 -0.134 0.000 2.708 53 T HA -0.153 4.213 4.350 0.025 0.000 0.266 53 T C 2.067 176.722 174.700 -0.075 0.000 1.037 53 T CA 1.513 63.651 62.100 0.062 0.000 1.146 53 T CB -0.307 68.637 68.868 0.127 0.000 0.865 53 T HN 0.465 nan 8.240 nan 0.000 0.435 54 A N 1.714 124.454 122.820 -0.134 0.000 1.902 54 A HA -0.117 4.218 4.320 0.025 0.000 0.217 54 A C 2.377 179.869 177.584 -0.153 0.000 1.181 54 A CA 1.450 53.400 52.037 -0.145 0.000 0.623 54 A CB -0.504 18.415 19.000 -0.136 0.000 0.818 54 A HN 0.400 nan 8.150 nan 0.000 0.443 55 R N -1.313 119.026 120.500 -0.269 0.000 2.081 55 R HA -0.092 4.263 4.340 0.025 0.000 0.235 55 R C 2.183 178.360 176.300 -0.204 0.000 1.131 55 R CA 1.594 57.511 56.100 -0.305 0.000 0.960 55 R CB -0.330 29.642 30.300 -0.546 0.000 0.856 55 R HN 0.417 nan 8.270 nan 0.000 0.436 56 M N 0.252 119.629 119.600 -0.372 0.000 2.175 56 M HA -0.114 4.381 4.480 0.025 0.000 0.264 56 M C 2.232 178.315 176.300 -0.362 0.000 1.063 56 M CA 1.082 56.054 55.300 -0.546 0.000 1.119 56 M CB -0.866 30.914 32.600 -1.366 0.000 1.377 56 M HN 0.150 nan 8.290 nan 0.000 0.415 57 L N 0.047 121.121 121.223 -0.249 0.000 2.012 57 L HA -0.234 4.121 4.340 0.025 0.000 0.210 57 L C 2.533 179.383 176.870 -0.033 0.000 1.073 57 L CA 2.353 57.154 54.840 -0.065 0.000 0.748 57 L CB -1.204 40.831 42.059 -0.040 0.000 0.891 57 L HN 0.442 nan 8.230 nan 0.000 0.431 58 H N -1.436 117.566 119.070 -0.112 0.000 2.321 58 H HA -0.134 4.437 4.556 0.026 0.000 0.300 58 H C 2.027 177.301 175.328 -0.090 0.000 1.087 58 H CA 2.445 58.454 56.048 -0.066 0.000 1.319 58 H CB -0.437 29.317 29.762 -0.014 0.000 1.379 58 H HN 0.163 nan 8.280 nan 0.000 0.501 59 V N 0.151 119.903 119.914 -0.269 0.000 2.287 59 V HA -0.294 3.841 4.120 0.025 0.000 0.248 59 V C 1.977 177.718 176.094 -0.589 0.000 1.053 59 V CA 2.131 64.165 62.300 -0.443 0.000 1.027 59 V CB -0.786 30.767 31.823 -0.450 0.000 0.646 59 V HN 0.506 nan 8.190 nan 0.000 0.447 60 Y N 0.087 120.236 120.300 -0.252 0.000 2.516 60 Y HA -0.061 4.504 4.550 0.025 0.000 0.291 60 Y C 2.695 178.464 175.900 -0.218 0.000 1.131 60 Y CA 0.942 58.876 58.100 -0.276 0.000 1.281 60 Y CB -0.505 37.839 38.460 -0.193 0.000 1.013 60 Y HN 0.151 nan 8.280 nan 0.000 0.554 61 S N -0.507 115.133 115.700 -0.101 0.000 2.356 61 S HA -0.162 4.323 4.470 0.025 0.000 0.223 61 S C 2.255 176.785 174.600 -0.116 0.000 1.032 61 S CA 1.448 59.603 58.200 -0.075 0.000 1.005 61 S CB -0.610 62.545 63.200 -0.075 0.000 0.867 61 S HN 0.230 nan 8.310 nan 0.000 0.449 62 V N 2.086 121.869 119.914 -0.218 0.000 2.295 62 V HA -0.210 3.925 4.120 0.025 0.000 0.246 62 V C 2.659 178.656 176.094 -0.162 0.000 1.049 62 V CA 1.740 63.947 62.300 -0.156 0.000 1.024 62 V CB -1.253 30.482 31.823 -0.147 0.000 0.648 62 V HN 0.539 nan 8.190 nan 0.000 0.447 63 A N -0.010 122.549 122.820 -0.435 0.000 1.908 63 A HA -0.166 4.169 4.320 0.025 0.000 0.218 63 A C 2.429 179.860 177.584 -0.256 0.000 1.181 63 A CA 2.269 53.874 52.037 -0.719 0.000 0.627 63 A CB -0.812 17.348 19.000 -1.401 0.000 0.818 63 A HN 0.590 nan 8.150 nan 0.000 0.445 64 A N -0.629 122.118 122.820 -0.121 0.000 1.877 64 A HA -0.089 4.246 4.320 0.025 0.000 0.216 64 A C 2.429 180.018 177.584 0.009 0.000 1.186 64 A CA 2.084 54.128 52.037 0.011 0.000 0.620 64 A CB -0.971 18.109 19.000 0.135 0.000 0.822 64 A HN 0.457 nan 8.150 nan 0.000 0.443 65 S N -0.436 115.264 115.700 0.001 0.000 2.419 65 S HA -0.107 4.378 4.470 0.025 0.000 0.233 65 S C 1.723 176.330 174.600 0.012 0.000 1.016 65 S CA 1.597 59.803 58.200 0.009 0.000 0.974 65 S CB -0.376 62.830 63.200 0.009 0.000 0.786 65 S HN 0.573 nan 8.310 nan 0.000 0.492 66 M N 0.342 119.949 119.600 0.012 0.000 2.659 66 M HA 0.125 4.620 4.480 0.025 0.000 0.243 66 M C 1.335 177.655 176.300 0.034 0.000 1.111 66 M CA 0.460 55.786 55.300 0.043 0.000 1.070 66 M CB -0.025 32.639 32.600 0.106 0.000 1.525 66 M HN 0.441 nan 8.290 nan 0.000 0.517 67 G N 1.335 110.142 108.800 0.012 0.000 2.149 67 G HA2 -0.228 3.747 3.960 0.025 0.000 0.235 67 G HA3 -0.228 3.747 3.960 0.025 0.000 0.235 67 G C -0.362 174.546 174.900 0.014 0.000 1.018 67 G CA -0.319 44.787 45.100 0.009 0.000 0.728 67 G HN 0.319 nan 8.290 nan 0.000 0.508 68 R N 0.821 121.326 120.500 0.007 0.000 2.196 68 R HA 0.524 4.879 4.340 0.025 0.000 0.340 68 R C -2.145 174.162 176.300 0.012 0.000 1.043 68 R CA -2.024 54.085 56.100 0.015 0.000 0.883 68 R CB 0.425 30.724 30.300 -0.001 0.000 1.078 68 R HN 0.155 nan 8.270 nan 0.000 0.462 69 P HA 0.069 nan 4.420 nan 0.000 0.265 69 P C 0.685 177.993 177.300 0.014 0.000 1.187 69 P CA 0.860 63.969 63.100 0.016 0.000 0.766 69 P CB 0.824 32.531 31.700 0.011 0.000 0.820 70 G N 2.034 110.845 108.800 0.018 0.000 2.284 70 G HA2 -0.340 3.636 3.960 0.025 0.000 0.230 70 G HA3 -0.340 3.636 3.960 0.025 0.000 0.230 70 G C 1.250 176.136 174.900 -0.023 0.000 1.021 70 G CA 0.565 45.660 45.100 -0.009 0.000 0.619 70 G HN 0.683 nan 8.290 nan 0.000 0.510 71 A N -0.265 122.558 122.820 0.007 0.000 1.902 71 A HA 0.164 4.499 4.320 0.025 0.000 0.217 71 A C 1.971 179.601 177.584 0.077 0.000 1.181 71 A CA 2.239 54.290 52.037 0.023 0.000 0.623 71 A CB -0.592 18.418 19.000 0.016 0.000 0.818 71 A HN 1.210 nan 8.150 nan 0.000 0.443 72 Y N 0.595 120.895 120.300 0.001 0.000 2.274 72 Y HA -0.220 4.345 4.550 0.026 0.000 0.290 72 Y C 2.051 177.988 175.900 0.061 0.000 1.145 72 Y CA 1.911 60.035 58.100 0.041 0.000 1.203 72 Y CB -0.192 38.287 38.460 0.032 0.000 0.984 72 Y HN 0.477 nan 8.280 nan 0.000 0.533 73 D N -0.145 120.303 120.400 0.080 0.000 2.144 73 D HA -0.196 4.459 4.640 0.025 0.000 0.199 73 D C 1.944 178.222 176.300 -0.037 0.000 0.984 73 D CA 1.531 55.534 54.000 0.006 0.000 0.834 73 D CB -0.241 40.562 40.800 0.006 0.000 0.955 73 D HN 0.447 nan 8.370 nan 0.000 0.465 74 L N -0.512 120.677 121.223 -0.057 0.000 2.156 74 L HA -0.059 4.296 4.340 0.025 0.000 0.208 74 L C 2.446 179.393 176.870 0.128 0.000 1.095 74 L CA 0.282 55.134 54.840 0.019 0.000 0.770 74 L CB -0.316 41.612 42.059 -0.218 0.000 0.914 74 L HN 0.039 nan 8.230 nan 0.000 0.439 75 V N 0.402 120.311 119.914 -0.008 0.000 2.295 75 V HA -0.330 3.805 4.120 0.025 0.000 0.246 75 V C 2.216 178.193 176.094 -0.196 0.000 1.049 75 V CA 2.299 64.544 62.300 -0.092 0.000 1.024 75 V CB -0.457 31.255 31.823 -0.185 0.000 0.648 75 V HN 0.473 nan 8.190 nan 0.000 0.447 76 D N -0.989 119.269 120.400 -0.237 0.000 2.097 76 D HA -0.253 4.403 4.640 0.025 0.000 0.195 76 D C 2.184 178.446 176.300 -0.065 0.000 0.989 76 D CA 1.583 55.496 54.000 -0.144 0.000 0.827 76 D CB -0.258 40.531 40.800 -0.018 0.000 0.966 76 D HN 0.576 nan 8.370 nan 0.000 0.456 77 H N -0.613 118.398 119.070 -0.098 0.000 2.319 77 H HA -0.114 4.457 4.556 0.025 0.000 0.297 77 H C 2.013 177.298 175.328 -0.071 0.000 1.097 77 H CA 1.867 57.847 56.048 -0.113 0.000 1.285 77 H CB -0.345 29.298 29.762 -0.198 0.000 1.368 77 H HN 0.316 nan 8.280 nan 0.000 0.495 78 G N 0.748 109.586 108.800 0.063 0.000 2.402 78 G HA2 -0.176 3.799 3.960 0.025 0.000 0.216 78 G HA3 -0.176 3.799 3.960 0.025 0.000 0.216 78 G C 1.980 176.837 174.900 -0.071 0.000 1.162 78 G CA 0.800 45.965 45.100 0.109 0.000 0.777 78 G HN 0.390 nan 8.290 nan 0.000 0.539 79 I N 0.529 121.010 120.570 -0.149 0.000 2.179 79 I HA -0.158 4.027 4.170 0.025 0.000 0.242 79 I C 2.717 178.767 176.117 -0.112 0.000 1.088 79 I CA 1.039 62.233 61.300 -0.177 0.000 1.357 79 I CB -0.103 37.675 38.000 -0.370 0.000 1.051 79 I HN 0.010 nan 8.210 nan 0.000 0.409 80 K N 1.113 121.434 120.400 -0.132 0.000 2.074 80 K HA -0.174 4.161 4.320 0.025 0.000 0.209 80 K C 2.210 178.742 176.600 -0.112 0.000 1.048 80 K CA 1.743 57.967 56.287 -0.106 0.000 0.926 80 K CB -0.740 31.686 32.500 -0.124 0.000 0.713 80 K HN 0.362 nan 8.250 nan 0.000 0.444 81 A N 1.469 124.170 122.820 -0.199 0.000 1.902 81 A HA -0.123 4.213 4.320 0.025 0.000 0.217 81 A C 2.106 179.696 177.584 0.009 0.000 1.181 81 A CA 1.475 53.423 52.037 -0.148 0.000 0.623 81 A CB -0.332 18.537 19.000 -0.219 0.000 0.818 81 A HN 0.149 nan 8.150 nan 0.000 0.443 82 M N -0.259 119.354 119.600 0.021 0.000 2.630 82 M HA -0.018 4.478 4.480 0.025 0.000 0.254 82 M C 0.588 177.103 176.300 0.360 0.000 1.092 82 M CA 0.948 56.337 55.300 0.149 0.000 1.087 82 M CB -1.458 31.131 32.600 -0.017 0.000 1.453 82 M HN 0.518 nan 8.290 nan 0.000 0.509 83 N N -0.469 118.333 118.700 0.170 0.000 2.205 83 N HA 0.178 4.934 4.740 0.025 0.000 0.201 83 N C 1.129 176.684 175.510 0.076 0.000 1.128 83 N CA -0.056 53.068 53.050 0.124 0.000 0.867 83 N CB 0.753 39.276 38.487 0.060 0.000 0.996 83 N HN 0.289 nan 8.380 nan 0.000 0.503 84 G N 0.042 108.894 108.800 0.086 0.000 3.392 84 G HA2 0.461 4.436 3.960 0.025 0.000 0.188 84 G HA3 0.461 4.436 3.960 0.025 0.000 0.188 84 G C 1.009 175.971 174.900 0.104 0.000 1.485 84 G CA 0.226 45.361 45.100 0.059 0.000 0.943 84 G HN 0.127 nan 8.290 nan 0.000 0.627 85 A N -0.587 122.294 122.820 0.101 0.000 1.972 85 A HA 0.065 4.400 4.320 0.025 0.000 0.219 85 A C 2.422 180.168 177.584 0.271 0.000 1.169 85 A CA 1.270 53.394 52.037 0.145 0.000 0.635 85 A CB -0.557 18.497 19.000 0.090 0.000 0.810 85 A HN 0.368 nan 8.150 nan 0.000 0.446 86 L N -0.969 120.419 121.223 0.275 0.000 2.201 86 L HA -0.071 4.284 4.340 0.025 0.000 0.212 86 L C 1.482 178.583 176.870 0.384 0.000 1.105 86 L CA 0.533 55.612 54.840 0.399 0.000 0.775 86 L CB -0.232 42.040 42.059 0.355 0.000 0.913 86 L HN 0.329 nan 8.230 nan 0.000 0.440 87 R N 1.164 121.806 120.500 0.237 0.000 2.316 87 R HA 0.007 4.363 4.340 0.025 0.000 0.314 87 R C -0.373 175.778 176.300 -0.249 0.000 1.069 87 R CA -0.175 55.845 56.100 -0.133 0.000 0.959 87 R CB 0.182 30.440 30.300 -0.070 0.000 0.987 87 R HN -0.112 nan 8.270 nan 0.000 0.446 88 D N 3.746 123.806 120.400 -0.567 0.000 2.374 88 D HA 0.070 4.725 4.640 0.025 0.000 0.240 88 D C -0.151 176.020 176.300 -0.215 0.000 1.229 88 D CA -0.067 53.620 54.000 -0.521 0.000 0.895 88 D CB 0.904 41.289 40.800 -0.691 0.000 1.046 88 D HN 0.493 nan 8.370 nan 0.000 0.498 89 K N 2.448 122.782 120.400 -0.109 0.000 2.288 89 K HA -0.056 4.279 4.320 0.025 0.000 0.201 89 K C 1.749 178.276 176.600 -0.121 0.000 1.048 89 K CA 0.665 56.886 56.287 -0.111 0.000 0.956 89 K CB 0.315 32.772 32.500 -0.072 0.000 0.746 89 K HN 0.268 nan 8.250 nan 0.000 0.461 90 K N -0.736 119.572 120.400 -0.154 0.000 2.044 90 K HA -0.037 4.298 4.320 0.025 0.000 0.204 90 K C 0.959 177.349 176.600 -0.350 0.000 1.045 90 K CA 1.150 57.240 56.287 -0.327 0.000 0.951 90 K CB 0.134 32.313 32.500 -0.536 0.000 0.738 90 K HN 0.081 nan 8.250 nan 0.000 0.443 91 Y N -0.380 119.938 120.300 0.030 0.000 2.442 91 Y HA 0.309 4.874 4.550 0.025 0.000 0.250 91 Y C 0.755 176.751 175.900 0.159 0.000 1.113 91 Y CA 0.287 58.442 58.100 0.092 0.000 1.273 91 Y CB 1.149 39.653 38.460 0.074 0.000 1.138 91 Y HN 0.321 nan 8.280 nan 0.000 0.522 92 G N -0.433 108.476 108.800 0.182 0.000 2.712 92 G HA2 0.344 4.320 3.960 0.025 0.000 0.683 92 G HA3 0.344 4.320 3.960 0.025 0.000 0.683 92 G C 0.234 175.221 174.900 0.145 0.000 1.320 92 G CA -0.565 44.630 45.100 0.158 0.000 0.847 92 G HN 1.045 nan 8.290 nan 0.000 0.553 93 G N -0.921 107.846 108.800 -0.055 0.000 2.645 93 G HA2 0.033 4.008 3.960 0.025 0.000 0.246 93 G HA3 0.033 4.008 3.960 0.025 0.000 0.246 93 G C 0.122 174.747 174.900 -0.458 0.000 1.322 93 G CA 0.577 45.628 45.100 -0.083 0.000 0.898 93 G HN 1.776 nan 8.290 nan 0.000 0.573 94 W N -0.686 120.749 121.300 0.225 0.000 2.785 94 W HA 0.534 5.210 4.660 0.026 0.000 0.333 94 W C -0.540 175.979 176.519 0.000 0.000 1.062 94 W CA -1.085 56.229 57.345 -0.051 0.000 1.233 94 W CB 1.273 30.657 29.460 -0.127 0.000 1.413 94 W HN 0.495 nan 8.180 nan 0.000 0.489 95 Y N 1.038 121.514 120.300 0.293 0.000 2.550 95 Y HA 0.073 4.638 4.550 0.025 0.000 0.343 95 Y C 1.455 177.475 175.900 0.200 0.000 1.245 95 Y CA 0.694 58.916 58.100 0.203 0.000 1.462 95 Y CB 0.203 38.742 38.460 0.133 0.000 1.340 95 Y HN 0.562 nan 8.280 nan 0.000 0.604 96 A N 1.089 124.109 122.820 0.333 0.000 1.968 96 A HA 0.032 4.368 4.320 0.025 0.000 0.217 96 A C 0.646 178.318 177.584 0.147 0.000 1.169 96 A CA 1.277 53.461 52.037 0.244 0.000 0.638 96 A CB -0.214 18.910 19.000 0.207 0.000 0.812 96 A HN 0.704 nan 8.150 nan 0.000 0.446 97 C N -0.554 118.798 119.300 0.087 0.000 2.931 97 C HA 0.584 5.060 4.460 0.025 0.000 0.370 97 C C -0.795 174.188 174.990 -0.011 0.000 1.071 97 C CA -0.258 58.720 59.018 -0.067 0.000 1.266 97 C CB 0.745 28.304 27.740 -0.302 0.000 1.691 97 C HN 0.945 nan 8.230 nan 0.000 0.511 98 V N 3.980 123.900 119.914 0.009 0.000 3.141 98 V HA 0.901 5.036 4.120 0.025 0.000 0.312 98 V C -0.782 175.318 176.094 0.010 0.000 1.157 98 V CA -0.460 61.842 62.300 0.002 0.000 1.041 98 V CB 2.086 33.937 31.823 0.047 0.000 1.071 98 V HN 1.094 nan 8.190 nan 0.000 0.441 99 N N -0.886 117.813 118.700 -0.001 0.000 3.283 99 N HA 0.437 5.192 4.740 0.025 0.000 0.338 99 N C 0.096 175.610 175.510 0.007 0.000 1.517 99 N CA -0.381 52.676 53.050 0.012 0.000 0.733 99 N CB 0.307 38.799 38.487 0.008 0.000 1.797 99 N HN 0.541 nan 8.380 nan 0.000 0.637 100 D N -0.838 119.566 120.400 0.007 0.000 2.350 100 D HA -0.100 4.555 4.640 0.025 0.000 0.216 100 D C 0.522 176.821 176.300 -0.003 0.000 0.968 100 D CA 1.002 55.005 54.000 0.004 0.000 0.894 100 D CB 0.157 40.960 40.800 0.004 0.000 0.909 100 D HN 0.707 nan 8.370 nan 0.000 0.520 101 Q N -0.402 119.393 119.800 -0.009 0.000 2.171 101 Q HA 0.440 4.796 4.340 0.025 0.000 0.218 101 Q C 0.782 176.765 176.000 -0.027 0.000 0.822 101 Q CA -0.226 55.568 55.803 -0.015 0.000 0.987 101 Q CB 1.704 30.435 28.738 -0.013 0.000 1.144 101 Q HN 0.041 nan 8.270 nan 0.000 0.494 102 G N 0.331 109.108 108.800 -0.038 0.000 2.356 102 G HA2 0.139 4.115 3.960 0.025 0.000 0.266 102 G HA3 0.139 4.115 3.960 0.025 0.000 0.266 102 G C -1.670 173.162 174.900 -0.114 0.000 1.312 102 G CA -0.563 44.493 45.100 -0.072 0.000 0.922 102 G HN 0.000 nan 8.290 nan 0.000 0.480 103 V N 0.816 120.611 119.914 -0.198 0.000 2.465 103 V HA 0.434 4.569 4.120 0.025 0.000 0.279 103 V C 1.196 177.191 176.094 -0.165 0.000 1.045 103 V CA -0.163 61.963 62.300 -0.291 0.000 0.938 103 V CB 1.190 32.641 31.823 -0.621 0.000 0.986 103 V HN 0.698 nan 8.190 nan 0.000 0.467 104 V N 2.012 121.858 119.914 -0.114 0.000 2.672 104 V HA 0.166 4.301 4.120 0.025 0.000 0.242 104 V C 0.400 176.467 176.094 -0.045 0.000 1.059 104 V CA 0.969 63.230 62.300 -0.065 0.000 1.081 104 V CB 0.228 32.021 31.823 -0.050 0.000 0.752 104 V HN 0.955 nan 8.190 nan 0.000 0.472 105 D N -0.399 119.983 120.400 -0.030 0.000 2.473 105 D HA 0.492 5.147 4.640 0.025 0.000 0.253 105 D C 0.331 176.676 176.300 0.075 0.000 1.233 105 D CA 0.135 54.147 54.000 0.021 0.000 0.908 105 D CB 1.831 42.653 40.800 0.037 0.000 1.170 105 D HN 0.116 nan 8.370 nan 0.000 0.558 106 A N 2.797 125.660 122.820 0.073 0.000 2.251 106 A HA 0.193 4.528 4.320 0.025 0.000 0.209 106 A C 1.048 178.772 177.584 0.232 0.000 1.187 106 A CA 0.171 52.323 52.037 0.192 0.000 0.823 106 A CB -0.315 18.743 19.000 0.097 0.000 0.846 106 A HN 0.532 nan 8.150 nan 0.000 0.486 107 S N 0.230 116.019 115.700 0.147 0.000 2.584 107 S HA 0.358 4.843 4.470 0.025 0.000 0.270 107 S C -0.194 174.508 174.600 0.169 0.000 1.346 107 S CA -0.279 57.985 58.200 0.107 0.000 1.018 107 S CB 0.657 63.916 63.200 0.097 0.000 0.899 107 S HN 0.135 nan 8.310 nan 0.000 0.542 108 K N 2.472 122.956 120.400 0.140 0.000 2.419 108 K HA 0.297 4.632 4.320 0.025 0.000 0.244 108 K C -0.648 176.217 176.600 0.442 0.000 1.045 108 K CA -0.315 56.135 56.287 0.272 0.000 1.004 108 K CB 1.022 33.437 32.500 -0.141 0.000 1.376 108 K HN 0.610 nan 8.250 nan 0.000 0.460 109 Q N 0.826 120.888 119.800 0.435 0.000 2.322 109 Q HA 0.196 4.551 4.340 0.025 0.000 0.256 109 Q C 1.293 177.406 176.000 0.189 0.000 0.960 109 Q CA -0.138 55.862 55.803 0.329 0.000 0.934 109 Q CB 1.540 30.420 28.738 0.238 0.000 1.200 109 Q HN 0.732 nan 8.270 nan 0.000 0.435 110 G N 2.237 111.089 108.800 0.087 0.000 2.476 110 G HA2 -0.345 3.630 3.960 0.025 0.000 0.218 110 G HA3 -0.345 3.630 3.960 0.025 0.000 0.218 110 G C 1.152 176.025 174.900 -0.046 0.000 1.164 110 G CA 0.739 45.612 45.100 -0.378 0.000 0.768 110 G HN 0.700 nan 8.290 nan 0.000 0.560 111 Y N 1.424 121.815 120.300 0.152 0.000 2.102 111 Y HA -0.283 4.282 4.550 0.026 0.000 0.280 111 Y C 3.088 179.105 175.900 0.195 0.000 1.178 111 Y CA 2.638 60.872 58.100 0.222 0.000 1.146 111 Y CB -0.168 38.345 38.460 0.088 0.000 0.968 111 Y HN 0.327 nan 8.280 nan 0.000 0.504 112 Q N -1.608 118.386 119.800 0.323 0.000 2.172 112 Q HA -0.176 4.179 4.340 0.025 0.000 0.200 112 Q C 2.045 178.065 176.000 0.033 0.000 0.964 112 Q CA 1.227 57.189 55.803 0.265 0.000 0.855 112 Q CB -0.321 28.580 28.738 0.273 0.000 0.918 112 Q HN 0.705 nan 8.270 nan 0.000 0.444 113 H N -0.572 118.372 119.070 -0.210 0.000 2.423 113 H HA -0.076 4.495 4.556 0.025 0.000 0.297 113 H C 1.751 176.831 175.328 -0.413 0.000 1.075 113 H CA 0.976 56.801 56.048 -0.372 0.000 1.342 113 H CB 0.087 29.428 29.762 -0.702 0.000 1.395 113 H HN 0.226 nan 8.280 nan 0.000 0.530 114 F N -0.035 119.845 119.950 -0.117 0.000 2.234 114 F HA -0.128 4.414 4.527 0.025 0.000 0.299 114 F C 2.211 177.771 175.800 -0.400 0.000 1.087 114 F CA 0.690 58.544 58.000 -0.243 0.000 1.340 114 F CB -0.740 38.059 39.000 -0.335 0.000 1.031 114 F HN 0.024 nan 8.300 nan 0.000 0.500 115 F N 0.033 119.884 119.950 -0.166 0.000 2.186 115 F HA -0.090 4.452 4.527 0.025 0.000 0.299 115 F C 2.460 178.100 175.800 -0.266 0.000 1.090 115 F CA 0.950 58.788 58.000 -0.270 0.000 1.307 115 F CB -1.101 37.708 39.000 -0.319 0.000 1.019 115 F HN -0.062 nan 8.300 nan 0.000 0.489 116 A N -0.205 122.520 122.820 -0.159 0.000 1.940 116 A HA -0.196 4.139 4.320 0.025 0.000 0.219 116 A C 2.127 179.547 177.584 -0.273 0.000 1.176 116 A CA 1.681 53.496 52.037 -0.370 0.000 0.631 116 A CB -1.059 17.490 19.000 -0.751 0.000 0.814 116 A HN 0.355 nan 8.150 nan 0.000 0.446 117 L N -0.907 120.213 121.223 -0.171 0.000 2.027 117 L HA -0.081 4.274 4.340 0.025 0.000 0.206 117 L C 2.270 179.073 176.870 -0.112 0.000 1.074 117 L CA 1.942 56.724 54.840 -0.097 0.000 0.745 117 L CB -0.548 41.532 42.059 0.036 0.000 0.898 117 L HN 0.370 nan 8.230 nan 0.000 0.433 118 L N -0.211 120.931 121.223 -0.135 0.000 2.012 118 L HA -0.062 4.293 4.340 0.025 0.000 0.210 118 L C 2.324 179.156 176.870 -0.063 0.000 1.073 118 L CA 2.234 56.991 54.840 -0.138 0.000 0.748 118 L CB -1.453 40.453 42.059 -0.254 0.000 0.891 118 L HN 0.303 nan 8.230 nan 0.000 0.431 119 G N -1.231 107.531 108.800 -0.064 0.000 2.418 119 G HA2 -0.249 3.727 3.960 0.025 0.000 0.217 119 G HA3 -0.249 3.727 3.960 0.025 0.000 0.217 119 G C 1.586 176.459 174.900 -0.045 0.000 1.158 119 G CA 0.863 45.950 45.100 -0.022 0.000 0.771 119 G HN 0.665 nan 8.290 nan 0.000 0.545 120 A N 1.122 123.889 122.820 -0.089 0.000 1.898 120 A HA 0.311 4.647 4.320 0.025 0.000 0.216 120 A C 2.820 180.372 177.584 -0.054 0.000 1.181 120 A CA 2.216 54.208 52.037 -0.074 0.000 0.620 120 A CB -0.790 18.164 19.000 -0.077 0.000 0.819 120 A HN 0.755 nan 8.150 nan 0.000 0.442 121 A N -0.613 122.166 122.820 -0.068 0.000 1.877 121 A HA -0.057 4.278 4.320 0.025 0.000 0.216 121 A C 2.446 180.014 177.584 -0.028 0.000 1.186 121 A CA 2.040 54.033 52.037 -0.074 0.000 0.620 121 A CB -0.901 18.031 19.000 -0.113 0.000 0.822 121 A HN 0.439 nan 8.150 nan 0.000 0.443 122 S N -0.111 115.601 115.700 0.019 0.000 2.368 122 S HA -0.066 4.419 4.470 0.025 0.000 0.225 122 S C 2.278 176.886 174.600 0.014 0.000 1.030 122 S CA 1.199 59.431 58.200 0.054 0.000 0.999 122 S CB -0.457 62.852 63.200 0.183 0.000 0.844 122 S HN 0.798 nan 8.310 nan 0.000 0.459 123 A N 0.989 123.809 122.820 -0.001 0.000 1.972 123 A HA -0.038 4.297 4.320 0.025 0.000 0.219 123 A C 2.281 179.879 177.584 0.023 0.000 1.169 123 A CA 1.264 53.295 52.037 -0.009 0.000 0.635 123 A CB -0.843 18.122 19.000 -0.059 0.000 0.810 123 A HN 0.340 nan 8.150 nan 0.000 0.446 124 V N 0.807 120.727 119.914 0.010 0.000 2.392 124 V HA -0.265 3.871 4.120 0.025 0.000 0.249 124 V C 2.984 179.095 176.094 0.029 0.000 1.059 124 V CA 2.447 64.760 62.300 0.021 0.000 1.051 124 V CB -1.294 30.522 31.823 -0.012 0.000 0.658 124 V HN 0.879 nan 8.190 nan 0.000 0.455 125 T N -1.899 112.665 114.554 0.017 0.000 3.007 125 T HA -0.167 4.198 4.350 0.025 0.000 0.270 125 T C 1.707 176.434 174.700 0.046 0.000 1.107 125 T CA 1.650 63.760 62.100 0.017 0.000 1.118 125 T CB -0.609 68.262 68.868 0.005 0.000 0.889 125 T HN 0.649 nan 8.240 nan 0.000 0.506 126 T N -2.177 112.428 114.554 0.084 0.000 3.088 126 T HA 0.372 4.737 4.350 0.025 0.000 0.259 126 T C 2.003 176.803 174.700 0.167 0.000 1.122 126 T CA 0.708 62.895 62.100 0.146 0.000 1.095 126 T CB -0.720 68.297 68.868 0.248 0.000 0.930 126 T HN 0.985 nan 8.240 nan 0.000 0.508 127 G N 1.236 110.120 108.800 0.139 0.000 2.162 127 G HA2 -0.296 3.679 3.960 0.025 0.000 0.260 127 G HA3 -0.296 3.679 3.960 0.025 0.000 0.260 127 G C 0.012 175.025 174.900 0.188 0.000 0.976 127 G CA 0.235 45.407 45.100 0.119 0.000 0.655 127 G HN 0.913 nan 8.290 nan 0.000 0.533 128 H N 2.087 121.272 119.070 0.192 0.000 3.125 128 H HA 0.126 4.696 4.556 0.025 0.000 0.310 128 H C -0.629 174.763 175.328 0.107 0.000 0.980 128 H CA -0.181 55.991 56.048 0.206 0.000 1.422 128 H CB 1.317 31.122 29.762 0.072 0.000 1.432 128 H HN 0.179 nan 8.280 nan 0.000 0.577 129 P HA -0.100 nan 4.420 nan 0.000 0.225 129 P C 0.495 177.910 177.300 0.192 0.000 1.148 129 P CA 0.953 64.110 63.100 0.096 0.000 0.779 129 P CB 0.500 32.198 31.700 -0.003 0.000 0.780 130 E N -0.898 119.545 120.200 0.405 0.000 2.474 130 E HA 0.190 4.555 4.350 0.025 0.000 0.195 130 E C 1.830 178.508 176.600 0.130 0.000 1.039 130 E CA 0.214 56.755 56.400 0.234 0.000 0.881 130 E CB -0.354 29.477 29.700 0.220 0.000 0.970 130 E HN 0.190 nan 8.360 nan 0.000 0.486 131 A N 1.570 124.476 122.820 0.144 0.000 1.897 131 A HA -0.147 4.188 4.320 0.025 0.000 0.215 131 A C 2.254 179.869 177.584 0.052 0.000 1.181 131 A CA 1.479 53.543 52.037 0.044 0.000 0.620 131 A CB -0.243 18.786 19.000 0.048 0.000 0.821 131 A HN 0.066 nan 8.150 nan 0.000 0.443 132 R N 0.583 121.124 120.500 0.067 0.000 2.081 132 R HA -0.131 4.224 4.340 0.025 0.000 0.235 132 R C 2.117 178.460 176.300 0.072 0.000 1.131 132 R CA 2.182 58.314 56.100 0.054 0.000 0.960 132 R CB -0.514 29.815 30.300 0.048 0.000 0.856 132 R HN 0.574 nan 8.270 nan 0.000 0.436 133 K N -0.242 120.208 120.400 0.084 0.000 2.032 133 K HA -0.187 4.149 4.320 0.025 0.000 0.209 133 K C 1.904 178.592 176.600 0.147 0.000 1.048 133 K CA 1.762 58.109 56.287 0.101 0.000 0.927 133 K CB -0.331 32.219 32.500 0.083 0.000 0.712 133 K HN 0.220 nan 8.250 nan 0.000 0.441 134 L N 1.311 122.614 121.223 0.134 0.000 2.027 134 L HA -0.127 4.228 4.340 0.025 0.000 0.206 134 L C 2.184 179.168 176.870 0.190 0.000 1.074 134 L CA 1.348 56.303 54.840 0.191 0.000 0.745 134 L CB -0.696 41.428 42.059 0.108 0.000 0.898 134 L HN 0.303 nan 8.230 nan 0.000 0.433 135 L N -0.222 121.056 121.223 0.093 0.000 2.012 135 L HA -0.227 4.128 4.340 0.025 0.000 0.210 135 L C 2.068 178.990 176.870 0.086 0.000 1.073 135 L CA 2.019 56.888 54.840 0.047 0.000 0.748 135 L CB -1.117 40.933 42.059 -0.014 0.000 0.891 135 L HN 0.320 nan 8.230 nan 0.000 0.431 136 D N -1.483 118.985 120.400 0.113 0.000 2.123 136 D HA -0.270 4.385 4.640 0.025 0.000 0.196 136 D C 2.021 178.436 176.300 0.193 0.000 0.992 136 D CA 1.773 55.854 54.000 0.134 0.000 0.833 136 D CB -0.352 40.524 40.800 0.127 0.000 0.954 136 D HN 0.522 nan 8.370 nan 0.000 0.455 137 Y N 1.536 121.916 120.300 0.132 0.000 2.200 137 Y HA -0.171 4.394 4.550 0.025 0.000 0.290 137 Y C 2.303 178.358 175.900 0.257 0.000 1.137 137 Y CA 1.619 59.816 58.100 0.161 0.000 1.163 137 Y CB -0.580 37.974 38.460 0.158 0.000 0.988 137 Y HN -0.108 nan 8.280 nan 0.000 0.518 138 T N 1.337 116.007 114.554 0.193 0.000 2.720 138 T HA -0.204 4.161 4.350 0.025 0.000 0.268 138 T C 2.069 176.836 174.700 0.112 0.000 1.037 138 T CA 2.008 64.232 62.100 0.207 0.000 1.144 138 T CB -0.496 68.456 68.868 0.139 0.000 0.864 138 T HN 0.357 nan 8.240 nan 0.000 0.444 139 I N 0.998 121.626 120.570 0.098 0.000 2.208 139 I HA -0.200 3.985 4.170 0.025 0.000 0.245 139 I C 2.707 178.914 176.117 0.150 0.000 1.097 139 I CA 1.454 62.855 61.300 0.167 0.000 1.363 139 I CB -0.397 37.716 38.000 0.187 0.000 1.051 139 I HN 0.350 nan 8.210 nan 0.000 0.413 140 E N 0.245 120.471 120.200 0.044 0.000 2.058 140 E HA -0.200 4.165 4.350 0.025 0.000 0.194 140 E C 2.330 178.874 176.600 -0.094 0.000 0.997 140 E CA 1.543 57.930 56.400 -0.021 0.000 0.801 140 E CB -0.136 29.549 29.700 -0.025 0.000 0.746 140 E HN 0.323 nan 8.360 nan 0.000 0.450 141 V N 1.823 121.635 119.914 -0.169 0.000 2.295 141 V HA -0.253 3.882 4.120 0.025 0.000 0.246 141 V C 2.315 178.502 176.094 0.157 0.000 1.049 141 V CA 1.221 63.482 62.300 -0.066 0.000 1.024 141 V CB -0.379 31.442 31.823 -0.003 0.000 0.648 141 V HN 0.277 nan 8.190 nan 0.000 0.447 142 I N 0.182 120.920 120.570 0.279 0.000 2.179 142 I HA -0.211 3.974 4.170 0.025 0.000 0.242 142 I C 2.520 178.879 176.117 0.404 0.000 1.088 142 I CA 1.734 63.304 61.300 0.450 0.000 1.357 142 I CB -1.149 37.148 38.000 0.496 0.000 1.051 142 I HN 0.477 nan 8.210 nan 0.000 0.409 143 E N 0.330 120.686 120.200 0.260 0.000 2.208 143 E HA -0.217 4.148 4.350 0.025 0.000 0.193 143 E C 2.109 178.722 176.600 0.022 0.000 0.988 143 E CA 0.687 57.209 56.400 0.203 0.000 0.828 143 E CB 0.032 29.803 29.700 0.119 0.000 0.763 143 E HN 0.407 nan 8.360 nan 0.000 0.478 144 K N -0.180 120.099 120.400 -0.202 0.000 2.076 144 K HA -0.105 4.230 4.320 0.025 0.000 0.204 144 K C 0.974 177.110 176.600 -0.774 0.000 1.051 144 K CA 1.165 57.085 56.287 -0.611 0.000 0.949 144 K CB 0.206 32.090 32.500 -1.025 0.000 0.726 144 K HN 0.068 nan 8.250 nan 0.000 0.443 145 Y N -2.493 117.588 120.300 -0.365 0.000 2.452 145 Y HA 0.226 4.791 4.550 0.025 0.000 0.262 145 Y C 0.874 176.550 175.900 -0.373 0.000 1.089 145 Y CA -0.275 57.416 58.100 -0.681 0.000 1.262 145 Y CB 0.678 38.214 38.460 -1.540 0.000 1.236 145 Y HN -0.047 nan 8.280 nan 0.000 0.512 146 F N -2.519 117.658 119.950 0.378 0.000 2.740 146 F HA 0.177 4.720 4.527 0.026 0.000 0.304 146 F C 0.583 176.774 175.800 0.652 0.000 1.098 146 F CA -0.593 57.693 58.000 0.478 0.000 1.258 146 F CB 0.332 39.459 39.000 0.212 0.000 1.061 146 F HN -0.046 nan 8.300 nan 0.000 0.598 147 W N 2.229 123.861 121.300 0.552 0.000 2.335 147 W HA 0.489 5.164 4.660 0.026 0.000 0.307 147 W C -0.438 176.247 176.519 0.276 0.000 1.117 147 W CA -0.751 56.865 57.345 0.451 0.000 1.228 147 W CB 1.486 31.184 29.460 0.396 0.000 1.240 147 W HN -0.232 nan 8.180 nan 0.000 0.468 148 S N 4.716 120.124 115.700 -0.487 0.000 2.422 148 S HA 0.067 4.553 4.470 0.025 0.000 0.298 148 S C 0.992 175.132 174.600 -0.766 0.000 1.118 148 S CA -0.290 57.650 58.200 -0.432 0.000 1.083 148 S CB 1.066 64.149 63.200 -0.194 0.000 0.971 148 S HN 0.595 nan 8.310 nan 0.000 0.478 149 E N 3.621 123.598 120.200 -0.372 0.000 2.110 149 E HA -0.174 4.191 4.350 0.025 0.000 0.193 149 E C 1.934 178.443 176.600 -0.152 0.000 0.988 149 E CA 1.482 57.781 56.400 -0.169 0.000 0.804 149 E CB -0.003 29.704 29.700 0.012 0.000 0.745 149 E HN 0.992 nan 8.360 nan 0.000 0.458 150 E N 0.717 120.838 120.200 -0.132 0.000 2.047 150 E HA -0.173 4.192 4.350 0.025 0.000 0.191 150 E C 1.521 178.053 176.600 -0.114 0.000 0.987 150 E CA 1.075 57.423 56.400 -0.086 0.000 0.799 150 E CB -0.278 29.396 29.700 -0.043 0.000 0.752 150 E HN 0.233 nan 8.360 nan 0.000 0.449 151 E N 0.245 120.350 120.200 -0.159 0.000 2.371 151 E HA -0.037 4.328 4.350 0.025 0.000 0.194 151 E C 0.009 176.424 176.600 -0.310 0.000 1.012 151 E CA 0.058 56.363 56.400 -0.159 0.000 0.860 151 E CB 0.249 29.943 29.700 -0.010 0.000 0.811 151 E HN 0.166 nan 8.360 nan 0.000 0.502 152 Q N -0.100 119.439 119.800 -0.436 0.000 2.435 152 Q HA -0.212 4.143 4.340 0.025 0.000 0.312 152 Q C -0.463 175.182 176.000 -0.592 0.000 1.333 152 Q CA 1.003 56.502 55.803 -0.506 0.000 0.883 152 Q CB -1.011 27.665 28.738 -0.104 0.000 1.170 152 Q HN 0.283 nan 8.270 nan 0.000 0.443 153 M N -1.544 117.567 119.600 -0.814 0.000 2.721 153 M HA 0.318 4.813 4.480 0.025 0.000 0.271 153 M C -0.392 175.846 176.300 -0.103 0.000 1.259 153 M CA -0.667 54.419 55.300 -0.357 0.000 0.835 153 M CB 1.563 33.873 32.600 -0.483 0.000 1.689 153 M HN 0.115 nan 8.290 nan 0.000 0.470 154 C N 1.937 121.437 119.300 0.333 0.000 2.401 154 C HA 0.642 5.118 4.460 0.025 0.000 0.365 154 C C 0.854 176.175 174.990 0.552 0.000 1.250 154 C CA -0.823 58.530 59.018 0.559 0.000 2.131 154 C CB -0.174 27.949 27.740 0.638 0.000 2.445 154 C HN 0.628 nan 8.230 nan 0.000 0.550 155 L N 1.759 123.309 121.223 0.545 0.000 2.479 155 L HA 0.214 4.569 4.340 0.025 0.000 0.248 155 L C 1.399 178.594 176.870 0.541 0.000 1.205 155 L CA -0.003 55.092 54.840 0.424 0.000 0.817 155 L CB 0.293 42.558 42.059 0.344 0.000 1.162 155 L HN 0.740 nan 8.230 nan 0.000 0.486 156 E N 0.284 120.714 120.200 0.382 0.000 2.094 156 E HA 0.030 4.395 4.350 0.025 0.000 0.193 156 E C -0.054 176.835 176.600 0.482 0.000 0.950 156 E CA 0.648 57.309 56.400 0.435 0.000 0.842 156 E CB 0.510 30.452 29.700 0.402 0.000 0.816 156 E HN 0.652 nan 8.360 nan 0.000 0.465 157 S N -2.204 113.694 115.700 0.330 0.000 2.588 157 S HA 0.624 5.109 4.470 0.025 0.000 0.269 157 S C -1.614 173.051 174.600 0.110 0.000 1.157 157 S CA -1.071 57.360 58.200 0.384 0.000 0.824 157 S CB 0.413 63.757 63.200 0.240 0.000 1.126 157 S HN 0.187 nan 8.310 nan 0.000 0.464 158 W N 1.037 122.401 121.300 0.107 0.000 2.975 158 W HA 0.523 5.198 4.660 0.025 0.000 0.342 158 W C -0.384 176.041 176.519 -0.157 0.000 1.168 158 W CA -0.326 56.981 57.345 -0.064 0.000 1.141 158 W CB 0.819 30.178 29.460 -0.168 0.000 1.445 158 W HN 0.870 nan 8.180 nan 0.000 0.560 159 D N 0.180 120.620 120.400 0.066 0.000 2.363 159 D HA -0.053 4.602 4.640 0.025 0.000 0.240 159 D C 1.003 177.140 176.300 -0.273 0.000 1.236 159 D CA -0.062 53.899 54.000 -0.064 0.000 0.927 159 D CB 0.551 41.318 40.800 -0.056 0.000 1.150 159 D HN 0.704 nan 8.370 nan 0.000 0.458 160 E N 0.261 120.321 120.200 -0.234 0.000 2.086 160 E HA -0.274 4.091 4.350 0.025 0.000 0.200 160 E C 1.470 177.685 176.600 -0.642 0.000 1.012 160 E CA 1.644 57.864 56.400 -0.298 0.000 0.812 160 E CB -0.268 29.392 29.700 -0.067 0.000 0.743 160 E HN 0.568 nan 8.360 nan 0.000 0.453 161 A N -0.358 122.028 122.820 -0.725 0.000 2.278 161 A HA 0.132 4.467 4.320 0.025 0.000 0.212 161 A C -0.000 177.303 177.584 -0.468 0.000 1.213 161 A CA -0.049 51.328 52.037 -1.101 0.000 0.840 161 A CB -0.514 17.891 19.000 -0.992 0.000 0.866 161 A HN 0.440 nan 8.150 nan 0.000 0.489 162 F N -0.287 119.436 119.950 -0.379 0.000 3.004 162 F HA -0.287 4.255 4.527 0.025 0.000 0.264 162 F C 1.772 177.525 175.800 -0.078 0.000 0.979 162 F CA 0.847 58.573 58.000 -0.455 0.000 0.896 162 F CB -2.280 35.995 39.000 -1.209 0.000 0.813 162 F HN 0.422 nan 8.300 nan 0.000 0.804 163 S N -1.348 114.471 115.700 0.198 0.000 2.475 163 S HA 0.136 4.621 4.470 0.025 0.000 0.224 163 S C 0.544 175.322 174.600 0.297 0.000 1.042 163 S CA 0.529 58.850 58.200 0.202 0.000 0.935 163 S CB 0.366 63.602 63.200 0.060 0.000 0.801 163 S HN 0.605 nan 8.310 nan 0.000 0.509 164 Q N -0.107 119.863 119.800 0.283 0.000 2.345 164 Q HA 0.615 4.970 4.340 0.025 0.000 0.275 164 Q C -1.349 174.525 176.000 -0.210 0.000 1.063 164 Q CA -0.762 55.078 55.803 0.061 0.000 0.819 164 Q CB 1.638 30.375 28.738 -0.003 0.000 1.356 164 Q HN 0.003 nan 8.270 nan 0.000 0.418 165 T N 0.539 114.680 114.554 -0.689 0.000 2.928 165 T HA 0.171 4.536 4.350 0.025 0.000 0.284 165 T C -0.624 173.809 174.700 -0.444 0.000 1.008 165 T CA -0.425 61.058 62.100 -1.029 0.000 1.057 165 T CB 1.220 69.126 68.868 -1.603 0.000 1.018 165 T HN 0.636 nan 8.240 nan 0.000 0.493 166 E N 1.950 121.962 120.200 -0.313 0.000 2.384 166 E HA -0.009 4.357 4.350 0.025 0.000 0.266 166 E C -0.542 176.011 176.600 -0.078 0.000 1.012 166 E CA -0.296 56.035 56.400 -0.115 0.000 0.901 166 E CB 0.487 30.176 29.700 -0.017 0.000 0.967 166 E HN 0.490 nan 8.360 nan 0.000 0.435 167 D N 4.318 124.702 120.400 -0.027 0.000 2.688 167 D HA 0.072 4.727 4.640 0.025 0.000 0.228 167 D C -1.698 174.643 176.300 0.068 0.000 1.116 167 D CA 0.373 54.364 54.000 -0.015 0.000 1.023 167 D CB -0.645 40.150 40.800 -0.009 0.000 1.100 167 D HN 0.361 nan 8.370 nan 0.000 0.487 168 Y N 0.862 121.077 120.300 -0.143 0.000 2.522 168 Y HA 0.365 4.930 4.550 0.025 0.000 0.326 168 Y C -1.815 173.949 175.900 -0.227 0.000 1.198 168 Y CA -1.019 56.984 58.100 -0.162 0.000 1.112 168 Y CB 0.923 39.317 38.460 -0.111 0.000 1.342 168 Y HN -0.115 nan 8.280 nan 0.000 0.460 169 R N 3.163 123.116 120.500 -0.912 0.000 2.628 169 R HA 0.723 5.078 4.340 0.025 0.000 0.288 169 R C -0.880 174.898 176.300 -0.870 0.000 0.980 169 R CA -0.760 54.796 56.100 -0.907 0.000 0.891 169 R CB 1.915 31.154 30.300 -1.768 0.000 1.188 169 R HN 0.926 nan 8.270 nan 0.000 0.450 170 G N -0.397 108.284 108.800 -0.198 0.000 2.530 170 G HA2 0.433 4.408 3.960 0.025 0.000 0.316 170 G HA3 0.433 4.408 3.960 0.025 0.000 0.316 170 G C 0.667 175.824 174.900 0.428 0.000 1.298 170 G CA -0.530 44.686 45.100 0.194 0.000 0.948 170 G HN 0.543 nan 8.290 nan 0.000 0.486 171 G N 1.059 110.169 108.800 0.517 0.000 2.443 171 G HA2 -0.211 3.764 3.960 0.025 0.000 0.219 171 G HA3 -0.211 3.764 3.960 0.025 0.000 0.219 171 G C 1.312 176.551 174.900 0.566 0.000 1.131 171 G CA 0.918 46.379 45.100 0.602 0.000 0.775 171 G HN 0.641 nan 8.290 nan 0.000 0.547 172 N N 0.456 119.457 118.700 0.502 0.000 2.062 172 N HA -0.061 4.694 4.740 0.025 0.000 0.191 172 N C 2.609 178.405 175.510 0.476 0.000 1.042 172 N CA 0.997 54.349 53.050 0.504 0.000 0.845 172 N CB -0.138 38.698 38.487 0.582 0.000 1.024 172 N HN 0.232 nan 8.380 nan 0.000 0.424 173 A N 0.926 124.069 122.820 0.538 0.000 1.908 173 A HA -0.181 4.154 4.320 0.025 0.000 0.218 173 A C 1.906 179.556 177.584 0.109 0.000 1.181 173 A CA 1.726 54.030 52.037 0.445 0.000 0.627 173 A CB -0.862 18.482 19.000 0.574 0.000 0.818 173 A HN 0.440 nan 8.150 nan 0.000 0.445 174 N N -0.954 117.851 118.700 0.174 0.000 2.166 174 N HA -0.126 4.629 4.740 0.025 0.000 0.186 174 N C 1.710 177.110 175.510 -0.183 0.000 1.019 174 N CA 1.598 54.663 53.050 0.024 0.000 0.856 174 N CB -0.331 38.331 38.487 0.293 0.000 0.993 174 N HN 0.628 nan 8.380 nan 0.000 0.426 175 M N -0.170 119.291 119.600 -0.232 0.000 2.086 175 M HA -0.182 4.313 4.480 0.025 0.000 0.261 175 M C 1.362 177.129 176.300 -0.888 0.000 1.067 175 M CA 1.618 56.327 55.300 -0.985 0.000 1.116 175 M CB -0.061 31.833 32.600 -1.177 0.000 1.348 175 M HN 0.296 nan 8.290 nan 0.000 0.407 176 H N -0.272 118.468 119.070 -0.550 0.000 2.495 176 H HA 0.068 4.639 4.556 0.025 0.000 0.287 176 H C 2.082 176.923 175.328 -0.812 0.000 1.033 176 H CA 1.268 56.903 56.048 -0.690 0.000 1.307 176 H CB -0.264 28.996 29.762 -0.837 0.000 1.401 176 H HN 0.543 nan 8.280 nan 0.000 0.555 177 A N 0.776 122.999 122.820 -0.995 0.000 1.877 177 A HA -0.119 4.216 4.320 0.025 0.000 0.216 177 A C 2.784 179.597 177.584 -1.285 0.000 1.186 177 A CA 1.475 52.539 52.037 -1.620 0.000 0.620 177 A CB -0.881 16.829 19.000 -2.151 0.000 0.822 177 A HN 0.189 nan 8.150 nan 0.000 0.443 178 V N 0.259 119.688 119.914 -0.809 0.000 2.282 178 V HA -0.340 3.795 4.120 0.025 0.000 0.249 178 V C 2.577 178.486 176.094 -0.308 0.000 1.057 178 V CA 2.528 64.573 62.300 -0.425 0.000 1.032 178 V CB -0.813 30.854 31.823 -0.259 0.000 0.645 178 V HN 0.796 nan 8.190 nan 0.000 0.447 179 E N 0.110 120.076 120.200 -0.391 0.000 2.070 179 E HA -0.282 4.084 4.350 0.025 0.000 0.197 179 E C 2.207 178.676 176.600 -0.217 0.000 1.004 179 E CA 1.725 57.955 56.400 -0.284 0.000 0.805 179 E CB -0.247 29.268 29.700 -0.309 0.000 0.744 179 E HN 0.572 nan 8.360 nan 0.000 0.451 180 A N 0.413 123.066 122.820 -0.278 0.000 1.898 180 A HA -0.120 4.216 4.320 0.025 0.000 0.216 180 A C 1.920 179.534 177.584 0.050 0.000 1.181 180 A CA 1.056 53.005 52.037 -0.146 0.000 0.620 180 A CB -0.692 18.236 19.000 -0.120 0.000 0.819 180 A HN 0.338 nan 8.150 nan 0.000 0.442 181 F N 0.191 120.073 119.950 -0.113 0.000 2.171 181 F HA -0.104 4.437 4.527 0.025 0.000 0.300 181 F C 2.090 177.894 175.800 0.006 0.000 1.090 181 F CA 0.464 58.451 58.000 -0.022 0.000 1.293 181 F CB -1.226 37.842 39.000 0.114 0.000 1.013 181 F HN 0.107 nan 8.300 nan 0.000 0.486 182 L N -0.597 120.727 121.223 0.168 0.000 2.042 182 L HA -0.255 4.101 4.340 0.025 0.000 0.210 182 L C 2.383 179.324 176.870 0.119 0.000 1.076 182 L CA 0.845 55.759 54.840 0.123 0.000 0.749 182 L CB -0.547 41.529 42.059 0.028 0.000 0.893 182 L HN 0.028 nan 8.230 nan 0.000 0.432 183 I N -1.185 119.396 120.570 0.019 0.000 2.406 183 I HA -0.149 4.037 4.170 0.025 0.000 0.249 183 I C 2.547 178.610 176.117 -0.091 0.000 1.122 183 I CA 0.984 62.270 61.300 -0.024 0.000 1.431 183 I CB -1.071 36.907 38.000 -0.037 0.000 1.087 183 I HN 0.033 nan 8.210 nan 0.000 0.424 184 V N 0.897 120.704 119.914 -0.179 0.000 2.332 184 V HA -0.330 3.805 4.120 0.025 0.000 0.248 184 V C 2.502 178.408 176.094 -0.313 0.000 1.055 184 V CA 1.975 64.020 62.300 -0.425 0.000 1.038 184 V CB -1.066 30.165 31.823 -0.986 0.000 0.651 184 V HN 0.369 nan 8.190 nan 0.000 0.450 185 Y N 1.684 121.871 120.300 -0.188 0.000 2.128 185 Y HA -0.281 4.283 4.550 0.024 0.000 0.284 185 Y C 2.337 178.208 175.900 -0.049 0.000 1.154 185 Y CA 2.144 60.255 58.100 0.017 0.000 1.149 185 Y CB -0.469 38.068 38.460 0.127 0.000 0.976 185 Y HN 0.312 nan 8.280 nan 0.000 0.505 186 D N -0.296 120.018 120.400 -0.143 0.000 2.221 186 D HA -0.133 4.522 4.640 0.025 0.000 0.204 186 D C 1.838 177.851 176.300 -0.479 0.000 0.982 186 D CA 1.849 55.662 54.000 -0.312 0.000 0.857 186 D CB -0.245 40.510 40.800 -0.076 0.000 0.934 186 D HN 0.449 nan 8.370 nan 0.000 0.475 187 V N -1.995 117.720 119.914 -0.331 0.000 3.376 187 V HA 0.270 4.405 4.120 0.025 0.000 0.313 187 V C 1.291 177.240 176.094 -0.241 0.000 1.393 187 V CA 0.824 62.960 62.300 -0.272 0.000 1.125 187 V CB 0.165 31.889 31.823 -0.165 0.000 1.037 187 V HN 0.115 nan 8.190 nan 0.000 0.440 188 T N -4.944 109.444 114.554 -0.276 0.000 2.969 188 T HA 0.173 4.538 4.350 0.025 0.000 0.258 188 T C 0.797 175.430 174.700 -0.112 0.000 0.962 188 T CA 0.518 62.539 62.100 -0.131 0.000 0.903 188 T CB -0.394 68.476 68.868 0.003 0.000 1.177 188 T HN 0.345 nan 8.240 nan 0.000 0.511 189 H N 2.270 121.152 119.070 -0.313 0.000 2.404 189 H HA -0.115 4.456 4.556 0.024 0.000 0.323 189 H C -0.456 174.777 175.328 -0.158 0.000 1.029 189 H CA 1.382 57.166 56.048 -0.440 0.000 1.111 189 H CB -1.387 28.220 29.762 -0.259 0.000 1.524 189 H HN 0.586 nan 8.280 nan 0.000 0.394 190 D N 0.332 120.788 120.400 0.093 0.000 2.381 190 D HA 0.171 4.826 4.640 0.025 0.000 0.235 190 D C 1.170 177.689 176.300 0.365 0.000 1.068 190 D CA -0.588 53.545 54.000 0.222 0.000 0.832 190 D CB 0.677 41.615 40.800 0.229 0.000 1.101 190 D HN 0.100 nan 8.370 nan 0.000 0.515 191 K N 2.797 123.353 120.400 0.259 0.000 2.117 191 K HA -0.294 4.042 4.320 0.025 0.000 0.215 191 K C 1.832 178.440 176.600 0.014 0.000 1.053 191 K CA 2.226 58.610 56.287 0.161 0.000 0.935 191 K CB -0.016 32.517 32.500 0.055 0.000 0.719 191 K HN 0.556 nan 8.250 nan 0.000 0.460 192 K N -0.310 120.000 120.400 -0.150 0.000 2.103 192 K HA -0.193 4.142 4.320 0.025 0.000 0.207 192 K C 1.834 178.104 176.600 -0.550 0.000 1.048 192 K CA 1.935 57.975 56.287 -0.412 0.000 0.930 192 K CB -0.520 31.616 32.500 -0.606 0.000 0.716 192 K HN 0.268 nan 8.250 nan 0.000 0.444 193 W N 0.756 121.940 121.300 -0.194 0.000 2.388 193 W HA -0.036 4.639 4.660 0.025 0.000 0.294 193 W C 2.022 178.445 176.519 -0.160 0.000 1.212 193 W CA -0.188 56.980 57.345 -0.296 0.000 1.271 193 W CB -0.271 29.101 29.460 -0.146 0.000 1.126 193 W HN 0.075 nan 8.180 nan 0.000 0.535 194 L N 0.372 121.618 121.223 0.039 0.000 2.131 194 L HA -0.127 4.228 4.340 0.025 0.000 0.206 194 L C 1.731 178.557 176.870 -0.074 0.000 1.087 194 L CA 1.855 56.625 54.840 -0.116 0.000 0.767 194 L CB -0.948 40.850 42.059 -0.435 0.000 0.917 194 L HN -0.161 nan 8.230 nan 0.000 0.441 195 D N -0.556 119.785 120.400 -0.097 0.000 2.123 195 D HA -0.182 4.473 4.640 0.025 0.000 0.196 195 D C 2.325 178.597 176.300 -0.047 0.000 0.992 195 D CA 1.161 55.117 54.000 -0.074 0.000 0.833 195 D CB -0.023 40.716 40.800 -0.101 0.000 0.954 195 D HN 0.294 nan 8.370 nan 0.000 0.455 196 R N 0.639 121.047 120.500 -0.154 0.000 2.066 196 R HA 0.013 4.369 4.340 0.025 0.000 0.232 196 R C 2.374 178.769 176.300 0.158 0.000 1.131 196 R CA 1.188 57.188 56.100 -0.166 0.000 0.955 196 R CB -0.323 29.545 30.300 -0.720 0.000 0.851 196 R HN 0.092 nan 8.270 nan 0.000 0.432 197 A N 1.633 124.596 122.820 0.239 0.000 1.892 197 A HA -0.180 4.155 4.320 0.025 0.000 0.218 197 A C 2.117 179.816 177.584 0.191 0.000 1.188 197 A CA 1.173 53.349 52.037 0.232 0.000 0.631 197 A CB -0.664 18.448 19.000 0.188 0.000 0.822 197 A HN 0.249 nan 8.150 nan 0.000 0.447 198 L N -0.521 120.785 121.223 0.139 0.000 2.046 198 L HA -0.178 4.177 4.340 0.025 0.000 0.208 198 L C 2.657 179.673 176.870 0.244 0.000 1.077 198 L CA 2.626 57.573 54.840 0.178 0.000 0.747 198 L CB -0.797 41.322 42.059 0.100 0.000 0.896 198 L HN 0.564 nan 8.230 nan 0.000 0.432 199 R N 0.599 121.207 120.500 0.180 0.000 2.073 199 R HA -0.168 4.187 4.340 0.025 0.000 0.234 199 R C 2.142 178.512 176.300 0.116 0.000 1.134 199 R CA 1.898 58.086 56.100 0.147 0.000 0.952 199 R CB -0.896 29.513 30.300 0.181 0.000 0.850 199 R HN 0.429 nan 8.270 nan 0.000 0.433 200 I N 0.717 121.399 120.570 0.186 0.000 2.163 200 I HA -0.261 3.924 4.170 0.025 0.000 0.243 200 I C 2.418 178.603 176.117 0.114 0.000 1.085 200 I CA 1.627 63.012 61.300 0.143 0.000 1.347 200 I CB -0.546 37.593 38.000 0.233 0.000 1.044 200 I HN 0.380 nan 8.210 nan 0.000 0.408 201 A N 0.586 123.553 122.820 0.244 0.000 1.972 201 A HA -0.215 4.120 4.320 0.025 0.000 0.219 201 A C 2.484 180.122 177.584 0.089 0.000 1.169 201 A CA 2.057 54.228 52.037 0.224 0.000 0.635 201 A CB -0.799 18.477 19.000 0.459 0.000 0.810 201 A HN 0.551 nan 8.150 nan 0.000 0.446 202 S N -0.641 115.107 115.700 0.078 0.000 2.402 202 S HA -0.085 4.400 4.470 0.025 0.000 0.229 202 S C 1.712 176.145 174.600 -0.277 0.000 1.021 202 S CA 1.417 59.451 58.200 -0.277 0.000 0.974 202 S CB -0.621 62.452 63.200 -0.212 0.000 0.800 202 S HN 0.231 nan 8.310 nan 0.000 0.484 203 V N 1.905 121.677 119.914 -0.236 0.000 2.300 203 V HA 0.003 4.138 4.120 0.025 0.000 0.241 203 V C 2.575 178.489 176.094 -0.299 0.000 1.034 203 V CA 1.155 63.271 62.300 -0.306 0.000 1.021 203 V CB -0.545 31.018 31.823 -0.434 0.000 0.662 203 V HN 0.414 nan 8.190 nan 0.000 0.458 204 I N -0.195 120.184 120.570 -0.318 0.000 2.252 204 I HA -0.149 4.037 4.170 0.025 0.000 0.245 204 I C 2.216 178.104 176.117 -0.382 0.000 1.102 204 I CA 1.811 62.925 61.300 -0.310 0.000 1.385 204 I CB -0.768 36.993 38.000 -0.400 0.000 1.064 204 I HN 0.227 nan 8.210 nan 0.000 0.414 205 I N -0.489 119.824 120.570 -0.430 0.000 2.681 205 I HA -0.112 4.073 4.170 0.025 0.000 0.247 205 I C 2.582 178.586 176.117 -0.188 0.000 1.091 205 I CA 1.096 62.211 61.300 -0.309 0.000 1.442 205 I CB -1.571 36.301 38.000 -0.214 0.000 1.219 205 I HN 0.176 nan 8.210 nan 0.000 0.451 206 H N 0.946 119.820 119.070 -0.328 0.000 2.423 206 H HA -0.139 4.433 4.556 0.025 0.000 0.297 206 H C 1.777 176.872 175.328 -0.387 0.000 1.075 206 H CA 2.049 57.835 56.048 -0.437 0.000 1.342 206 H CB 0.169 29.313 29.762 -1.030 0.000 1.395 206 H HN 0.304 nan 8.280 nan 0.000 0.530 207 D N -1.002 119.179 120.400 -0.365 0.000 2.278 207 D HA -0.082 4.573 4.640 0.025 0.000 0.228 207 D C 2.297 178.417 176.300 -0.300 0.000 1.020 207 D CA 1.565 55.362 54.000 -0.338 0.000 0.922 207 D CB -0.444 40.202 40.800 -0.256 0.000 1.051 207 D HN 0.193 nan 8.370 nan 0.000 0.452 208 V N 1.439 121.217 119.914 -0.226 0.000 2.244 208 V HA -0.089 4.046 4.120 0.025 0.000 0.244 208 V C 2.720 178.661 176.094 -0.255 0.000 1.042 208 V CA 2.099 64.293 62.300 -0.177 0.000 1.006 208 V CB -1.174 30.642 31.823 -0.011 0.000 0.641 208 V HN 0.375 nan 8.190 nan 0.000 0.446 209 A N 0.056 122.710 122.820 -0.277 0.000 1.877 209 A HA -0.243 4.092 4.320 0.025 0.000 0.216 209 A C 2.418 179.706 177.584 -0.494 0.000 1.186 209 A CA 2.018 53.856 52.037 -0.332 0.000 0.620 209 A CB -0.634 18.188 19.000 -0.296 0.000 0.822 209 A HN 0.465 nan 8.150 nan 0.000 0.443 210 R N -0.125 120.015 120.500 -0.599 0.000 2.105 210 R HA -0.138 4.218 4.340 0.025 0.000 0.239 210 R C 1.030 176.914 176.300 -0.692 0.000 1.135 210 R CA 1.682 57.188 56.100 -0.990 0.000 0.967 210 R CB -0.264 29.617 30.300 -0.699 0.000 0.861 210 R HN 0.508 nan 8.270 nan 0.000 0.442 211 N N -0.573 117.850 118.700 -0.461 0.000 2.461 211 N HA -0.015 4.740 4.740 0.025 0.000 0.188 211 N C 0.376 175.723 175.510 -0.273 0.000 1.134 211 N CA 0.887 53.740 53.050 -0.328 0.000 0.878 211 N CB 0.989 39.314 38.487 -0.270 0.000 0.972 211 N HN 0.296 nan 8.380 nan 0.000 0.456 212 G N 0.325 108.942 108.800 -0.304 0.000 4.757 212 G HA2 0.107 4.082 3.960 0.025 0.000 0.303 212 G HA3 0.107 4.082 3.960 0.025 0.000 0.303 212 G C -0.396 174.390 174.900 -0.191 0.000 1.318 212 G CA -0.358 44.608 45.100 -0.223 0.000 1.020 212 G HN -0.021 nan 8.290 nan 0.000 0.589 213 D N -0.132 120.149 120.400 -0.198 0.000 2.837 213 D HA -0.251 4.404 4.640 0.025 0.000 0.230 213 D C 0.289 176.568 176.300 -0.035 0.000 1.152 213 D CA 1.115 55.069 54.000 -0.077 0.000 0.736 213 D CB -1.478 39.329 40.800 0.011 0.000 1.084 213 D HN 0.679 nan 8.370 nan 0.000 0.429 214 Y N -2.475 117.711 120.300 -0.189 0.000 4.604 214 Y HA -0.335 4.231 4.550 0.026 0.000 0.230 214 Y C 0.962 176.447 175.900 -0.691 0.000 1.066 214 Y CA 1.077 59.004 58.100 -0.288 0.000 1.990 214 Y CB -1.609 36.778 38.460 -0.122 0.000 1.619 214 Y HN 0.230 nan 8.280 nan 0.000 0.649 215 R N 0.882 121.009 120.500 -0.623 0.000 2.248 215 R HA 0.365 4.720 4.340 0.025 0.000 0.337 215 R C -0.084 175.865 176.300 -0.584 0.000 1.085 215 R CA -0.444 55.036 56.100 -1.033 0.000 0.934 215 R CB 0.705 30.855 30.300 -0.251 0.000 1.034 215 R HN -0.043 nan 8.270 nan 0.000 0.465 216 V N 4.121 123.507 119.914 -0.879 0.000 2.485 216 V HA -0.080 4.056 4.120 0.025 0.000 0.287 216 V C 0.955 177.124 176.094 0.126 0.000 1.022 216 V CA 0.011 62.163 62.300 -0.248 0.000 1.067 216 V CB 0.285 32.076 31.823 -0.052 0.000 0.967 216 V HN 0.701 nan 8.190 nan 0.000 0.479 217 N N 4.336 123.047 118.700 0.018 0.000 2.430 217 N HA 0.119 4.875 4.740 0.025 0.000 0.265 217 N C 0.648 176.106 175.510 -0.086 0.000 1.100 217 N CA -0.147 52.862 53.050 -0.068 0.000 0.961 217 N CB 1.306 39.518 38.487 -0.459 0.000 1.075 217 N HN 0.730 nan 8.380 nan 0.000 0.478 218 E N 1.445 121.549 120.200 -0.160 0.000 2.307 218 E HA 0.041 4.406 4.350 0.025 0.000 0.195 218 E C -0.330 176.072 176.600 -0.329 0.000 0.975 218 E CA 0.318 56.628 56.400 -0.150 0.000 0.878 218 E CB 0.292 29.870 29.700 -0.205 0.000 0.845 218 E HN 0.609 nan 8.360 nan 0.000 0.488 219 H N -0.276 118.630 119.070 -0.274 0.000 2.519 219 H HA 0.316 4.887 4.556 0.025 0.000 0.316 219 H C -0.812 174.082 175.328 -0.723 0.000 1.065 219 H CA -0.175 55.616 56.048 -0.427 0.000 1.264 219 H CB 0.172 29.788 29.762 -0.242 0.000 1.413 219 H HN -0.076 nan 8.280 nan 0.000 0.465 220 F N 1.177 120.803 119.950 -0.540 0.000 2.588 220 F HA 0.145 4.687 4.527 0.025 0.000 0.314 220 F C 0.524 175.997 175.800 -0.546 0.000 1.069 220 F CA -1.105 56.617 58.000 -0.464 0.000 0.931 220 F CB 1.448 40.127 39.000 -0.534 0.000 1.260 220 F HN 0.451 nan 8.300 nan 0.000 0.465 221 D N -0.556 119.759 120.400 -0.143 0.000 2.447 221 D HA 0.143 4.798 4.640 0.025 0.000 0.265 221 D C 0.787 176.914 176.300 -0.288 0.000 1.250 221 D CA -0.439 53.467 54.000 -0.158 0.000 1.046 221 D CB 0.260 41.026 40.800 -0.057 0.000 1.095 221 D HN 0.309 nan 8.370 nan 0.000 0.555 222 S N -1.140 114.436 115.700 -0.207 0.000 2.507 222 S HA -0.098 4.387 4.470 0.025 0.000 0.235 222 S C 1.074 175.565 174.600 -0.183 0.000 0.988 222 S CA 0.516 58.574 58.200 -0.236 0.000 0.944 222 S CB -0.201 62.919 63.200 -0.133 0.000 0.762 222 S HN 0.420 nan 8.310 nan 0.000 0.526 223 Q N -0.991 118.748 119.800 -0.102 0.000 2.280 223 Q HA 0.148 4.503 4.340 0.025 0.000 0.201 223 Q C -0.356 175.731 176.000 0.144 0.000 0.890 223 Q CA -0.170 55.648 55.803 0.025 0.000 0.947 223 Q CB -0.579 28.176 28.738 0.029 0.000 1.081 223 Q HN 0.623 nan 8.270 nan 0.000 0.502 224 W N 1.390 122.662 121.300 -0.047 0.000 4.435 224 W HA -0.207 4.468 4.660 0.025 0.000 0.351 224 W C -0.512 176.074 176.519 0.111 0.000 1.319 224 W CA 0.106 57.399 57.345 -0.086 0.000 0.791 224 W CB -2.029 27.282 29.460 -0.249 0.000 2.419 224 W HN 0.070 nan 8.180 nan 0.000 1.406 225 N N 0.794 119.642 118.700 0.247 0.000 2.438 225 N HA 0.351 5.106 4.740 0.025 0.000 0.282 225 N C -2.213 173.385 175.510 0.145 0.000 1.037 225 N CA -1.673 51.495 53.050 0.196 0.000 0.942 225 N CB 0.870 39.398 38.487 0.068 0.000 1.136 225 N HN -0.309 nan 8.380 nan 0.000 0.481 226 P HA 0.094 nan 4.420 nan 0.000 0.265 226 P C -0.259 176.918 177.300 -0.205 0.000 1.187 226 P CA 0.345 63.238 63.100 -0.345 0.000 0.766 226 P CB 0.523 31.975 31.700 -0.413 0.000 0.820 227 I N 4.043 124.498 120.570 -0.191 0.000 2.361 227 I HA 0.230 4.415 4.170 0.025 0.000 0.282 227 I C 1.517 177.665 176.117 0.050 0.000 1.075 227 I CA -0.523 60.771 61.300 -0.009 0.000 1.205 227 I CB 0.865 38.935 38.000 0.116 0.000 1.406 227 I HN 0.220 nan 8.210 nan 0.000 0.481 228 R N 2.760 123.249 120.500 -0.019 0.000 2.148 228 R HA -0.087 4.269 4.340 0.025 0.000 0.223 228 R C 0.863 177.336 176.300 0.288 0.000 1.088 228 R CA 0.918 57.017 56.100 -0.002 0.000 0.985 228 R CB -0.200 29.950 30.300 -0.249 0.000 0.880 228 R HN 0.686 nan 8.270 nan 0.000 0.451 229 D N -1.726 118.844 120.400 0.283 0.000 2.368 229 D HA -0.096 4.559 4.640 0.025 0.000 0.218 229 D C 0.186 176.724 176.300 0.398 0.000 1.112 229 D CA -0.598 53.659 54.000 0.428 0.000 0.834 229 D CB -0.811 40.179 40.800 0.317 0.000 0.953 229 D HN 0.059 nan 8.370 nan 0.000 0.505 230 Y N 2.141 122.559 120.300 0.196 0.000 2.717 230 Y HA 0.052 4.617 4.550 0.025 0.000 0.330 230 Y C 0.746 176.692 175.900 0.076 0.000 1.217 230 Y CA 0.608 58.747 58.100 0.064 0.000 1.506 230 Y CB 0.196 38.611 38.460 -0.077 0.000 1.268 230 Y HN -0.090 nan 8.280 nan 0.000 0.561 231 N N 2.989 121.390 118.700 -0.498 0.000 2.741 231 N HA -0.311 4.444 4.740 0.025 0.000 0.250 231 N C 1.248 176.789 175.510 0.052 0.000 1.115 231 N CA 1.292 54.187 53.050 -0.259 0.000 0.724 231 N CB -0.772 37.595 38.487 -0.201 0.000 1.090 231 N HN 0.836 nan 8.380 nan 0.000 0.558 232 K N 0.318 120.777 120.400 0.099 0.000 2.089 232 K HA -0.180 4.155 4.320 0.025 0.000 0.210 232 K C 0.466 176.977 176.600 -0.148 0.000 1.048 232 K CA 1.771 58.000 56.287 -0.095 0.000 0.926 232 K CB 0.050 32.520 32.500 -0.049 0.000 0.714 232 K HN 0.224 nan 8.250 nan 0.000 0.448 233 D N -0.495 119.848 120.400 -0.094 0.000 2.349 233 D HA -0.041 4.615 4.640 0.025 0.000 0.215 233 D C 0.213 176.481 176.300 -0.054 0.000 1.016 233 D CA 0.563 54.515 54.000 -0.080 0.000 0.870 233 D CB 0.020 40.777 40.800 -0.071 0.000 0.917 233 D HN 0.304 nan 8.370 nan 0.000 0.524 234 N N 0.659 119.340 118.700 -0.031 0.000 2.703 234 N HA 0.076 4.831 4.740 0.025 0.000 0.283 234 N C -2.056 173.510 175.510 0.092 0.000 1.851 234 N CA -1.274 51.791 53.050 0.024 0.000 0.826 234 N CB 1.302 39.815 38.487 0.044 0.000 1.239 234 N HN -0.203 nan 8.380 nan 0.000 0.495 235 P HA -0.050 nan 4.420 nan 0.000 0.220 235 P C 0.678 178.114 177.300 0.226 0.000 1.148 235 P CA 0.855 64.048 63.100 0.154 0.000 0.803 235 P CB 0.235 31.965 31.700 0.050 0.000 0.782 236 A N -0.838 122.086 122.820 0.173 0.000 2.462 236 A HA 0.035 4.370 4.320 0.025 0.000 0.261 236 A C 0.822 178.511 177.584 0.175 0.000 1.323 236 A CA -0.349 51.806 52.037 0.198 0.000 0.913 236 A CB -1.401 17.631 19.000 0.053 0.000 1.028 236 A HN 0.152 nan 8.150 nan 0.000 0.511 237 H N 0.938 120.088 119.070 0.133 0.000 3.038 237 H HA 0.054 4.625 4.556 0.025 0.000 0.338 237 H C 1.011 176.394 175.328 0.092 0.000 1.041 237 H CA 0.833 56.931 56.048 0.084 0.000 1.394 237 H CB 0.533 30.369 29.762 0.124 0.000 1.357 237 H HN 0.407 nan 8.280 nan 0.000 0.600 238 R N 3.070 123.408 120.500 -0.270 0.000 2.148 238 R HA -0.091 4.265 4.340 0.025 0.000 0.227 238 R C 0.992 177.107 176.300 -0.307 0.000 1.103 238 R CA 1.453 57.278 56.100 -0.458 0.000 0.983 238 R CB 0.264 29.903 30.300 -1.102 0.000 0.874 238 R HN 0.470 nan 8.270 nan 0.000 0.451 239 F N -1.491 118.712 119.950 0.423 0.000 2.834 239 F HA 0.300 4.842 4.527 0.025 0.000 0.332 239 F C 0.564 176.545 175.800 0.302 0.000 1.056 239 F CA -0.279 57.872 58.000 0.250 0.000 1.178 239 F CB 0.824 39.782 39.000 -0.071 0.000 1.037 239 F HN -0.331 nan 8.300 nan 0.000 0.580 240 R N 0.780 121.562 120.500 0.470 0.000 2.701 240 R HA 0.502 4.858 4.340 0.025 0.000 0.281 240 R C -0.307 176.219 176.300 0.376 0.000 1.367 240 R CA -0.333 55.981 56.100 0.357 0.000 1.510 240 R CB 0.903 31.195 30.300 -0.014 0.000 1.306 240 R HN 0.032 nan 8.270 nan 0.000 0.682 241 A N 0.877 123.950 122.820 0.422 0.000 2.483 241 A HA -0.017 4.318 4.320 0.025 0.000 0.238 241 A C -0.335 177.491 177.584 0.402 0.000 1.070 241 A CA -0.051 52.195 52.037 0.348 0.000 0.770 241 A CB 0.054 19.127 19.000 0.123 0.000 1.008 241 A HN 0.553 nan 8.150 nan 0.000 0.497 242 Y N 2.183 122.607 120.300 0.206 0.000 2.597 242 Y HA 0.371 4.936 4.550 0.025 0.000 0.336 242 Y C 1.135 177.078 175.900 0.072 0.000 1.216 242 Y CA 1.371 59.581 58.100 0.184 0.000 1.463 242 Y CB 0.067 38.579 38.460 0.086 0.000 1.303 242 Y HN 1.751 nan 8.280 nan 0.000 0.576 243 G N 3.220 111.560 108.800 -0.767 0.000 2.512 243 G HA2 -0.092 3.883 3.960 0.025 0.000 0.254 243 G HA3 -0.092 3.883 3.960 0.025 0.000 0.254 243 G C -0.003 174.454 174.900 -0.738 0.000 1.199 243 G CA -0.393 44.038 45.100 -1.116 0.000 0.941 243 G HN 1.448 nan 8.290 nan 0.000 0.569 244 G N -0.691 107.681 108.800 -0.714 0.000 2.371 244 G HA2 0.682 4.657 3.960 0.025 0.000 0.326 244 G HA3 0.682 4.657 3.960 0.025 0.000 0.326 244 G C 0.072 174.894 174.900 -0.129 0.000 1.127 244 G CA 1.100 46.155 45.100 -0.075 0.000 0.885 244 G HN 1.653 nan 8.290 nan 0.000 0.477 245 T N 1.806 116.311 114.554 -0.081 0.000 2.963 245 T HA 0.481 4.846 4.350 0.025 0.000 0.343 245 T C -1.535 172.684 174.700 -0.802 0.000 1.146 245 T CA -1.709 60.143 62.100 -0.412 0.000 1.016 245 T CB 1.773 70.430 68.868 -0.351 0.000 1.046 245 T HN 0.138 nan 8.240 nan 0.000 0.496 246 P HA -0.029 nan 4.420 nan 0.000 0.217 246 P C 1.773 178.557 177.300 -0.861 0.000 1.148 246 P CA 1.164 63.240 63.100 -1.706 0.000 0.828 246 P CB -0.081 30.879 31.700 -1.232 0.000 0.783 247 G N 0.212 108.592 108.800 -0.700 0.000 2.469 247 G HA2 -0.316 3.659 3.960 0.025 0.000 0.219 247 G HA3 -0.316 3.659 3.960 0.025 0.000 0.219 247 G C 1.637 176.581 174.900 0.074 0.000 1.150 247 G CA 1.040 45.803 45.100 -0.563 0.000 0.763 247 G HN 0.348 nan 8.290 nan 0.000 0.561 248 A N 0.152 123.141 122.820 0.283 0.000 1.930 248 A HA 0.020 4.355 4.320 0.025 0.000 0.217 248 A C 2.178 180.109 177.584 0.577 0.000 1.175 248 A CA 1.585 53.912 52.037 0.484 0.000 0.627 248 A CB -0.576 18.743 19.000 0.531 0.000 0.815 248 A HN 0.469 nan 8.150 nan 0.000 0.443 249 W N -0.341 121.118 121.300 0.265 0.000 2.335 249 W HA -0.080 4.594 4.660 0.025 0.000 0.311 249 W C 2.069 178.718 176.519 0.217 0.000 1.213 249 W CA 0.394 57.894 57.345 0.259 0.000 1.274 249 W CB -1.370 28.168 29.460 0.131 0.000 1.148 249 W HN 0.346 nan 8.180 nan 0.000 0.498 250 I N 0.172 120.908 120.570 0.276 0.000 2.353 250 I HA -0.226 3.959 4.170 0.025 0.000 0.248 250 I C 2.511 178.740 176.117 0.187 0.000 1.119 250 I CA 1.466 62.854 61.300 0.146 0.000 1.417 250 I CB -0.287 37.629 38.000 -0.140 0.000 1.078 250 I HN -0.036 nan 8.210 nan 0.000 0.421 251 E N 0.168 120.487 120.200 0.198 0.000 2.058 251 E HA -0.300 4.065 4.350 0.025 0.000 0.194 251 E C 2.033 178.709 176.600 0.127 0.000 0.997 251 E CA 1.922 58.416 56.400 0.156 0.000 0.801 251 E CB -0.286 29.518 29.700 0.173 0.000 0.746 251 E HN 0.543 nan 8.360 nan 0.000 0.450 252 W N 0.395 121.775 121.300 0.134 0.000 2.321 252 W HA -0.160 4.515 4.660 0.025 0.000 0.306 252 W C 2.363 178.939 176.519 0.095 0.000 1.217 252 W CA 1.341 58.754 57.345 0.113 0.000 1.257 252 W CB -0.685 28.873 29.460 0.163 0.000 1.145 252 W HN 0.258 nan 8.180 nan 0.000 0.509 253 G N -0.034 108.981 108.800 0.358 0.000 2.491 253 G HA2 -0.354 3.621 3.960 0.025 0.000 0.218 253 G HA3 -0.354 3.621 3.960 0.025 0.000 0.218 253 G C 1.446 176.400 174.900 0.091 0.000 1.180 253 G CA 1.390 46.612 45.100 0.203 0.000 0.774 253 G HN 0.243 nan 8.290 nan 0.000 0.562 254 R N -0.036 120.507 120.500 0.071 0.000 2.081 254 R HA 0.059 4.414 4.340 0.025 0.000 0.235 254 R C 2.658 178.938 176.300 -0.033 0.000 1.131 254 R CA 1.135 57.213 56.100 -0.036 0.000 0.960 254 R CB -0.388 29.919 30.300 0.011 0.000 0.856 254 R HN 0.407 nan 8.270 nan 0.000 0.436 255 L N 0.188 121.462 121.223 0.085 0.000 2.079 255 L HA -0.209 4.146 4.340 0.025 0.000 0.210 255 L C 2.647 179.585 176.870 0.113 0.000 1.081 255 L CA 1.443 56.359 54.840 0.127 0.000 0.752 255 L CB -0.317 41.735 42.059 -0.012 0.000 0.896 255 L HN 0.331 nan 8.230 nan 0.000 0.433 256 M N -0.734 118.939 119.600 0.122 0.000 2.213 256 M HA -0.203 4.293 4.480 0.025 0.000 0.263 256 M C 2.162 178.444 176.300 -0.031 0.000 1.062 256 M CA 1.587 56.928 55.300 0.069 0.000 1.105 256 M CB -0.217 32.448 32.600 0.110 0.000 1.385 256 M HN 0.279 nan 8.290 nan 0.000 0.417 257 L N -1.546 119.616 121.223 -0.102 0.000 2.179 257 L HA -0.156 4.199 4.340 0.025 0.000 0.208 257 L C 2.473 179.246 176.870 -0.162 0.000 1.096 257 L CA 0.646 55.366 54.840 -0.200 0.000 0.779 257 L CB -1.011 40.849 42.059 -0.331 0.000 0.922 257 L HN 0.347 nan 8.230 nan 0.000 0.443 258 H N -0.200 118.851 119.070 -0.030 0.000 2.387 258 H HA -0.170 4.401 4.556 0.024 0.000 0.299 258 H C 2.188 177.507 175.328 -0.015 0.000 1.099 258 H CA 1.442 57.483 56.048 -0.012 0.000 1.315 258 H CB -0.012 29.743 29.762 -0.011 0.000 1.380 258 H HN 0.176 nan 8.280 nan 0.000 0.513 259 L N 0.428 121.699 121.223 0.079 0.000 2.017 259 L HA -0.159 4.196 4.340 0.025 0.000 0.208 259 L C 2.579 179.418 176.870 -0.052 0.000 1.073 259 L CA 1.953 56.786 54.840 -0.012 0.000 0.745 259 L CB -0.917 41.120 42.059 -0.036 0.000 0.894 259 L HN 0.277 nan 8.230 nan 0.000 0.432 260 H N -0.843 118.133 119.070 -0.158 0.000 2.289 260 H HA -0.178 4.393 4.556 0.024 0.000 0.296 260 H C 2.042 177.286 175.328 -0.140 0.000 1.091 260 H CA 2.084 58.022 56.048 -0.184 0.000 1.274 260 H CB 0.006 29.647 29.762 -0.202 0.000 1.364 260 H HN 0.413 nan 8.280 nan 0.000 0.490 261 A N 0.774 123.669 122.820 0.125 0.000 1.933 261 A HA -0.058 4.277 4.320 0.025 0.000 0.218 261 A C 2.594 180.177 177.584 -0.001 0.000 1.175 261 A CA 1.473 53.554 52.037 0.073 0.000 0.628 261 A CB -1.245 17.793 19.000 0.064 0.000 0.814 261 A HN 0.662 nan 8.150 nan 0.000 0.444 262 A N -0.117 122.705 122.820 0.002 0.000 1.902 262 A HA -0.059 4.276 4.320 0.025 0.000 0.217 262 A C 2.166 179.706 177.584 -0.072 0.000 1.181 262 A CA 1.529 53.566 52.037 0.001 0.000 0.623 262 A CB -0.610 18.350 19.000 -0.067 0.000 0.818 262 A HN 0.474 nan 8.150 nan 0.000 0.443 263 L N -0.698 120.435 121.223 -0.150 0.000 2.017 263 L HA -0.214 4.141 4.340 0.025 0.000 0.208 263 L C 2.604 179.369 176.870 -0.175 0.000 1.073 263 L CA 1.714 56.449 54.840 -0.174 0.000 0.745 263 L CB -0.669 41.251 42.059 -0.233 0.000 0.894 263 L HN 0.458 nan 8.230 nan 0.000 0.432 264 E N 0.164 120.233 120.200 -0.218 0.000 2.118 264 E HA -0.248 4.118 4.350 0.025 0.000 0.195 264 E C 2.219 178.652 176.600 -0.279 0.000 0.992 264 E CA 1.178 57.444 56.400 -0.225 0.000 0.804 264 E CB -0.196 29.396 29.700 -0.181 0.000 0.741 264 E HN 0.525 nan 8.360 nan 0.000 0.458 265 A N 1.829 124.526 122.820 -0.206 0.000 2.067 265 A HA -0.148 4.188 4.320 0.025 0.000 0.219 265 A C 1.888 179.295 177.584 -0.296 0.000 1.158 265 A CA 0.927 52.820 52.037 -0.240 0.000 0.661 265 A CB -0.379 18.582 19.000 -0.064 0.000 0.801 265 A HN 0.210 nan 8.150 nan 0.000 0.452 266 R N -2.455 117.949 120.500 -0.160 0.000 2.609 266 R HA 0.402 4.757 4.340 0.025 0.000 0.326 266 R C -0.595 175.784 176.300 0.131 0.000 1.090 266 R CA -0.349 55.752 56.100 0.001 0.000 1.072 266 R CB -0.795 29.546 30.300 0.067 0.000 1.330 266 R HN 0.134 nan 8.270 nan 0.000 0.572 267 F N 0.121 120.053 119.950 -0.031 0.000 3.074 267 F HA -0.263 4.278 4.527 0.024 0.000 0.289 267 F C 0.056 175.827 175.800 -0.048 0.000 0.863 267 F CA 1.066 59.044 58.000 -0.036 0.000 1.121 267 F CB -1.502 37.481 39.000 -0.027 0.000 1.169 267 F HN 0.438 nan 8.300 nan 0.000 0.570 268 E N 0.082 120.292 120.200 0.017 0.000 2.191 268 E HA 0.411 4.777 4.350 0.025 0.000 0.274 268 E C -0.073 176.472 176.600 -0.091 0.000 0.948 268 E CA -0.585 55.800 56.400 -0.024 0.000 0.802 268 E CB 1.296 30.968 29.700 -0.046 0.000 1.137 268 E HN 0.077 nan 8.360 nan 0.000 0.397 269 T N 5.992 120.497 114.554 -0.081 0.000 2.752 269 T HA 0.220 4.585 4.350 0.025 0.000 0.295 269 T C -2.277 172.312 174.700 -0.186 0.000 0.923 269 T CA -1.156 60.871 62.100 -0.122 0.000 1.112 269 T CB 0.581 69.406 68.868 -0.071 0.000 0.884 269 T HN 0.326 nan 8.240 nan 0.000 0.525 270 P HA 0.285 nan 4.420 nan 0.000 0.275 270 P C -2.458 174.671 177.300 -0.285 0.000 1.228 270 P CA -1.776 61.097 63.100 -0.378 0.000 0.786 270 P CB -0.412 30.859 31.700 -0.715 0.000 0.927 271 P HA 0.009 nan 4.420 nan 0.000 0.266 271 P C 0.503 177.626 177.300 -0.296 0.000 1.195 271 P CA 0.070 63.012 63.100 -0.264 0.000 0.768 271 P CB 0.463 31.953 31.700 -0.351 0.000 0.838 272 A N 4.488 127.252 122.820 -0.093 0.000 2.070 272 A HA -0.146 4.190 4.320 0.025 0.000 0.220 272 A C 1.874 179.467 177.584 0.015 0.000 1.159 272 A CA 1.085 53.115 52.037 -0.012 0.000 0.656 272 A CB -1.356 17.678 19.000 0.056 0.000 0.800 272 A HN 0.841 nan 8.150 nan 0.000 0.453 273 W N -0.230 121.047 121.300 -0.038 0.000 2.465 273 W HA -0.018 4.659 4.660 0.027 0.000 0.268 273 W C 1.149 177.678 176.519 0.017 0.000 1.242 273 W CA 0.602 57.927 57.345 -0.032 0.000 1.248 273 W CB -0.973 28.298 29.460 -0.315 0.000 1.118 273 W HN 0.246 nan 8.180 nan 0.000 0.587 274 L N 0.924 121.842 121.223 -0.508 0.000 1.994 274 L HA -0.260 4.096 4.340 0.025 0.000 0.208 274 L C 2.800 179.611 176.870 -0.098 0.000 1.071 274 L CA 1.405 56.012 54.840 -0.390 0.000 0.745 274 L CB -1.142 40.632 42.059 -0.474 0.000 0.892 274 L HN 0.030 nan 8.230 nan 0.000 0.431 275 L N -0.214 120.958 121.223 -0.086 0.000 2.072 275 L HA -0.151 4.204 4.340 0.025 0.000 0.205 275 L C 2.372 179.232 176.870 -0.016 0.000 1.079 275 L CA 1.635 56.410 54.840 -0.107 0.000 0.752 275 L CB -0.505 41.459 42.059 -0.159 0.000 0.906 275 L HN 0.190 nan 8.230 nan 0.000 0.436 276 E N -0.297 119.943 120.200 0.067 0.000 2.049 276 E HA -0.259 4.106 4.350 0.025 0.000 0.198 276 E C 1.743 178.418 176.600 0.126 0.000 1.007 276 E CA 1.705 58.183 56.400 0.129 0.000 0.809 276 E CB -0.214 29.620 29.700 0.224 0.000 0.749 276 E HN 0.550 nan 8.360 nan 0.000 0.450 277 D N -0.018 120.522 120.400 0.233 0.000 2.183 277 D HA -0.056 4.599 4.640 0.025 0.000 0.203 277 D C 1.813 178.136 176.300 0.038 0.000 0.969 277 D CA 1.061 55.212 54.000 0.251 0.000 0.842 277 D CB -0.245 40.883 40.800 0.546 0.000 0.957 277 D HN 0.173 nan 8.370 nan 0.000 0.484 278 A N 1.293 124.143 122.820 0.050 0.000 1.877 278 A HA -0.224 4.111 4.320 0.025 0.000 0.216 278 A C 2.058 179.630 177.584 -0.021 0.000 1.186 278 A CA 1.480 53.524 52.037 0.012 0.000 0.620 278 A CB -0.388 18.579 19.000 -0.055 0.000 0.822 278 A HN 0.131 nan 8.150 nan 0.000 0.443 279 K N -0.781 119.599 120.400 -0.033 0.000 2.032 279 K HA -0.131 4.204 4.320 0.025 0.000 0.209 279 K C 2.146 178.811 176.600 0.108 0.000 1.048 279 K CA 1.248 57.587 56.287 0.087 0.000 0.927 279 K CB -0.551 32.034 32.500 0.142 0.000 0.712 279 K HN 0.476 nan 8.250 nan 0.000 0.441 280 G N 1.423 110.060 108.800 -0.272 0.000 2.446 280 G HA2 -0.242 3.733 3.960 0.025 0.000 0.217 280 G HA3 -0.242 3.733 3.960 0.025 0.000 0.217 280 G C 1.498 176.065 174.900 -0.556 0.000 1.168 280 G CA 0.747 45.336 45.100 -0.850 0.000 0.771 280 G HN 0.100 nan 8.290 nan 0.000 0.551 281 L N -0.969 120.056 121.223 -0.330 0.000 2.056 281 L HA 0.036 4.391 4.340 0.025 0.000 0.207 281 L C 2.542 179.521 176.870 0.181 0.000 1.078 281 L CA 0.952 55.830 54.840 0.063 0.000 0.749 281 L CB -0.421 41.749 42.059 0.185 0.000 0.901 281 L HN 0.248 nan 8.230 nan 0.000 0.433 282 F N 0.165 120.096 119.950 -0.033 0.000 2.075 282 F HA -0.266 4.277 4.527 0.026 0.000 0.297 282 F C 2.828 178.556 175.800 -0.120 0.000 1.113 282 F CA 1.749 59.690 58.000 -0.098 0.000 1.218 282 F CB -0.242 38.635 39.000 -0.205 0.000 0.984 282 F HN 0.118 nan 8.300 nan 0.000 0.472 283 H N -0.254 119.011 119.070 0.324 0.000 2.389 283 H HA -0.019 4.552 4.556 0.025 0.000 0.299 283 H C 2.356 177.775 175.328 0.151 0.000 1.081 283 H CA 1.190 57.366 56.048 0.213 0.000 1.345 283 H CB -0.852 29.049 29.762 0.230 0.000 1.393 283 H HN 0.422 nan 8.280 nan 0.000 0.520 284 A N 0.756 123.740 122.820 0.273 0.000 1.902 284 A HA -0.155 4.181 4.320 0.025 0.000 0.217 284 A C 2.604 180.446 177.584 0.430 0.000 1.181 284 A CA 1.984 54.224 52.037 0.338 0.000 0.623 284 A CB -0.850 18.340 19.000 0.317 0.000 0.818 284 A HN 0.371 nan 8.150 nan 0.000 0.443 285 T N 0.407 115.164 114.554 0.338 0.000 2.684 285 T HA -0.129 4.236 4.350 0.025 0.000 0.267 285 T C 1.798 176.571 174.700 0.121 0.000 1.036 285 T CA 1.650 63.819 62.100 0.114 0.000 1.148 285 T CB -0.418 68.348 68.868 -0.171 0.000 0.863 285 T HN 0.432 nan 8.240 nan 0.000 0.436 286 I N 0.557 121.146 120.570 0.031 0.000 2.202 286 I HA -0.150 4.035 4.170 0.025 0.000 0.242 286 I C 2.834 179.061 176.117 0.184 0.000 1.091 286 I CA 1.148 62.490 61.300 0.071 0.000 1.368 286 I CB -0.370 37.473 38.000 -0.261 0.000 1.058 286 I HN 0.129 nan 8.210 nan 0.000 0.410 287 R N 0.966 121.582 120.500 0.194 0.000 2.094 287 R HA -0.239 4.116 4.340 0.025 0.000 0.239 287 R C 1.610 178.024 176.300 0.191 0.000 1.137 287 R CA 2.459 58.683 56.100 0.207 0.000 0.943 287 R CB -0.184 30.251 30.300 0.224 0.000 0.850 287 R HN 0.336 nan 8.270 nan 0.000 0.433 288 D N -1.350 119.176 120.400 0.211 0.000 2.277 288 D HA 0.052 4.707 4.640 0.025 0.000 0.209 288 D C 1.120 177.470 176.300 0.083 0.000 0.970 288 D CA 1.253 55.352 54.000 0.164 0.000 0.874 288 D CB 0.424 41.370 40.800 0.245 0.000 0.982 288 D HN 0.398 nan 8.370 nan 0.000 0.504 289 A N -0.626 122.252 122.820 0.098 0.000 2.287 289 A HA 0.066 4.402 4.320 0.025 0.000 0.214 289 A C 0.418 178.058 177.584 0.094 0.000 1.228 289 A CA -0.454 51.626 52.037 0.072 0.000 0.939 289 A CB -0.038 18.963 19.000 0.002 0.000 0.992 289 A HN 0.240 nan 8.150 nan 0.000 0.502 290 W N 1.151 122.374 121.300 -0.128 0.000 2.345 290 W HA 0.394 5.070 4.660 0.027 0.000 0.308 290 W C 0.426 176.813 176.519 -0.220 0.000 1.273 290 W CA -0.092 56.971 57.345 -0.469 0.000 1.243 290 W CB 0.329 29.491 29.460 -0.498 0.000 1.260 290 W HN 0.712 nan 8.180 nan 0.000 0.509 291 A N 6.638 128.747 122.820 -1.184 0.000 2.511 291 A HA -0.235 4.100 4.320 0.025 0.000 0.297 291 A C -1.556 175.815 177.584 -0.355 0.000 1.476 291 A CA 0.922 52.450 52.037 -0.848 0.000 0.757 291 A CB -1.571 16.855 19.000 -0.957 0.000 1.072 291 A HN 0.598 nan 8.150 nan 0.000 0.413 292 P HA 0.098 nan 4.420 nan 0.000 0.251 292 P C 0.143 177.388 177.300 -0.092 0.000 1.223 292 P CA 1.319 64.353 63.100 -0.109 0.000 0.796 292 P CB 0.210 31.865 31.700 -0.075 0.000 1.068 293 D N -2.168 118.156 120.400 -0.127 0.000 2.692 293 D HA 0.234 4.889 4.640 0.025 0.000 0.290 293 D C 1.081 177.323 176.300 -0.098 0.000 1.455 293 D CA -0.276 53.667 54.000 -0.095 0.000 0.796 293 D CB -0.432 40.312 40.800 -0.095 0.000 1.131 293 D HN 0.122 nan 8.370 nan 0.000 0.467 294 G N -0.729 108.008 108.800 -0.104 0.000 2.157 294 G HA2 0.133 4.108 3.960 0.025 0.000 0.248 294 G HA3 0.133 4.108 3.960 0.025 0.000 0.248 294 G C 0.294 175.133 174.900 -0.102 0.000 0.979 294 G CA 0.051 45.101 45.100 -0.084 0.000 0.650 294 G HN 1.087 nan 8.290 nan 0.000 0.529 295 A N -0.723 122.001 122.820 -0.160 0.000 2.587 295 A HA 0.698 5.034 4.320 0.025 0.000 0.293 295 A C -0.528 176.871 177.584 -0.309 0.000 1.087 295 A CA -0.255 51.678 52.037 -0.175 0.000 0.692 295 A CB 1.128 20.031 19.000 -0.161 0.000 1.291 295 A HN 0.088 nan 8.150 nan 0.000 0.407 296 D N -0.043 120.194 120.400 -0.271 0.000 2.361 296 D HA 0.508 5.164 4.640 0.025 0.000 0.239 296 D C 0.767 176.639 176.300 -0.714 0.000 1.200 296 D CA 1.977 55.664 54.000 -0.522 0.000 0.915 296 D CB 0.863 41.679 40.800 0.026 0.000 1.170 296 D HN 1.532 nan 8.370 nan 0.000 0.444 297 G N -0.677 107.183 108.800 -1.567 0.000 2.497 297 G HA2 -0.060 3.915 3.960 0.025 0.000 0.686 297 G HA3 -0.060 3.915 3.960 0.025 0.000 0.686 297 G C -1.231 173.111 174.900 -0.930 0.000 1.288 297 G CA -1.031 43.387 45.100 -1.137 0.000 0.899 297 G HN 0.258 nan 8.290 nan 0.000 0.608 298 F N 0.809 120.543 119.950 -0.361 0.000 2.405 298 F HA 0.516 5.058 4.527 0.025 0.000 0.355 298 F C 1.422 177.068 175.800 -0.257 0.000 1.121 298 F CA -0.215 57.624 58.000 -0.268 0.000 1.112 298 F CB 1.700 40.516 39.000 -0.306 0.000 1.126 298 F HN 0.582 nan 8.300 nan 0.000 0.481 299 V N 1.858 121.745 119.914 -0.046 0.000 3.237 299 V HA -0.059 4.076 4.120 0.025 0.000 0.305 299 V C 0.603 176.671 176.094 -0.043 0.000 1.096 299 V CA -0.262 62.006 62.300 -0.053 0.000 1.130 299 V CB 0.410 32.191 31.823 -0.070 0.000 1.048 299 V HN 0.835 nan 8.190 nan 0.000 0.484 300 Y N 1.993 122.204 120.300 -0.148 0.000 2.243 300 Y HA 0.189 4.754 4.550 0.025 0.000 0.293 300 Y C 1.459 177.264 175.900 -0.158 0.000 1.124 300 Y CA 0.950 58.953 58.100 -0.161 0.000 1.159 300 Y CB -0.004 38.414 38.460 -0.070 0.000 1.008 300 Y HN 1.022 nan 8.280 nan 0.000 0.527 301 S N -0.186 115.420 115.700 -0.157 0.000 2.588 301 S HA 0.707 5.193 4.470 0.025 0.000 0.275 301 S C -1.057 173.452 174.600 -0.153 0.000 1.130 301 S CA -0.218 57.835 58.200 -0.245 0.000 0.855 301 S CB 1.802 64.900 63.200 -0.170 0.000 1.116 301 S HN 0.509 nan 8.310 nan 0.000 0.472 302 V N -1.110 118.693 119.914 -0.186 0.000 3.040 302 V HA 0.721 4.856 4.120 0.025 0.000 0.312 302 V C -0.630 175.344 176.094 -0.200 0.000 1.115 302 V CA -0.830 61.398 62.300 -0.120 0.000 0.998 302 V CB 1.607 33.392 31.823 -0.062 0.000 1.042 302 V HN 0.939 nan 8.190 nan 0.000 0.433 303 D N 0.869 121.194 120.400 -0.126 0.000 2.414 303 D HA 0.288 4.943 4.640 0.025 0.000 0.251 303 D C 0.587 176.725 176.300 -0.270 0.000 1.252 303 D CA -0.363 53.511 54.000 -0.211 0.000 0.999 303 D CB 0.998 41.816 40.800 0.030 0.000 1.093 303 D HN 0.729 nan 8.370 nan 0.000 0.515 304 W N -0.520 120.835 121.300 0.091 0.000 2.699 304 W HA -0.023 4.652 4.660 0.025 0.000 0.249 304 W C 1.354 177.909 176.519 0.059 0.000 1.280 304 W CA 0.182 57.558 57.345 0.053 0.000 1.345 304 W CB 0.062 29.526 29.460 0.006 0.000 1.128 304 W HN 0.370 nan 8.180 nan 0.000 0.642 305 D N -1.139 119.390 120.400 0.215 0.000 2.340 305 D HA 0.160 4.815 4.640 0.025 0.000 0.217 305 D C 1.833 178.212 176.300 0.133 0.000 1.081 305 D CA 0.514 54.608 54.000 0.157 0.000 0.842 305 D CB -0.290 40.585 40.800 0.125 0.000 0.934 305 D HN 0.135 nan 8.370 nan 0.000 0.511 306 G N 0.505 109.387 108.800 0.136 0.000 2.176 306 G HA2 -0.332 3.643 3.960 0.025 0.000 0.253 306 G HA3 -0.332 3.643 3.960 0.025 0.000 0.253 306 G C 0.229 175.180 174.900 0.084 0.000 0.979 306 G CA 0.185 45.370 45.100 0.143 0.000 0.641 306 G HN 0.578 nan 8.290 nan 0.000 0.530 307 K N 1.529 121.964 120.400 0.059 0.000 2.322 307 K HA 0.441 4.776 4.320 0.025 0.000 0.283 307 K C -2.208 174.398 176.600 0.011 0.000 1.042 307 K CA -1.810 54.498 56.287 0.035 0.000 0.958 307 K CB 0.781 33.304 32.500 0.038 0.000 0.984 307 K HN 0.024 nan 8.250 nan 0.000 0.473 308 P HA -0.035 nan 4.420 nan 0.000 0.265 308 P C -0.226 177.069 177.300 -0.007 0.000 1.193 308 P CA 0.356 63.444 63.100 -0.021 0.000 0.765 308 P CB 0.614 32.294 31.700 -0.033 0.000 0.823 309 I N 1.581 122.151 120.570 0.000 0.000 3.578 309 I HA 0.043 4.228 4.170 0.025 0.000 0.238 309 I C 0.240 176.375 176.117 0.030 0.000 1.080 309 I CA 0.266 61.578 61.300 0.021 0.000 1.538 309 I CB -0.027 38.010 38.000 0.061 0.000 1.477 309 I HN -0.031 nan 8.210 nan 0.000 0.464 310 V N 2.843 122.798 119.914 0.068 0.000 2.368 310 V HA 0.195 4.330 4.120 0.025 0.000 0.266 310 V C 0.913 177.053 176.094 0.076 0.000 1.045 310 V CA 0.014 62.377 62.300 0.104 0.000 0.899 310 V CB 0.753 32.730 31.823 0.257 0.000 1.006 310 V HN 0.297 nan 8.190 nan 0.000 0.470 311 R N 1.675 122.188 120.500 0.022 0.000 2.300 311 R HA 0.117 4.472 4.340 0.025 0.000 0.199 311 R C 0.293 176.576 176.300 -0.027 0.000 0.920 311 R CA -0.157 55.933 56.100 -0.016 0.000 1.046 311 R CB 0.300 30.576 30.300 -0.041 0.000 0.984 311 R HN 0.645 nan 8.270 nan 0.000 0.493 312 E N 1.259 121.450 120.200 -0.014 0.000 2.481 312 E HA -0.055 4.310 4.350 0.025 0.000 0.263 312 E C -0.429 176.156 176.600 -0.026 0.000 0.992 312 E CA 0.599 56.978 56.400 -0.035 0.000 0.938 312 E CB 0.419 30.086 29.700 -0.054 0.000 0.933 312 E HN -0.139 nan 8.360 nan 0.000 0.453 313 R N 1.847 122.329 120.500 -0.030 0.000 2.287 313 R HA 0.260 4.615 4.340 0.025 0.000 0.327 313 R C -0.863 175.439 176.300 0.002 0.000 1.109 313 R CA -0.332 55.762 56.100 -0.010 0.000 1.013 313 R CB 0.472 30.793 30.300 0.034 0.000 1.126 313 R HN 0.214 nan 8.270 nan 0.000 0.503 314 V N 3.148 123.030 119.914 -0.054 0.000 2.834 314 V HA 0.161 4.296 4.120 0.025 0.000 0.301 314 V C 1.872 177.903 176.094 -0.105 0.000 1.066 314 V CA -0.403 61.855 62.300 -0.070 0.000 1.052 314 V CB 1.489 33.242 31.823 -0.116 0.000 1.021 314 V HN 0.736 nan 8.190 nan 0.000 0.480 315 R N 2.317 122.800 120.500 -0.028 0.000 2.066 315 R HA -0.119 4.236 4.340 0.025 0.000 0.232 315 R C 2.241 178.496 176.300 -0.076 0.000 1.131 315 R CA 2.272 58.400 56.100 0.046 0.000 0.955 315 R CB -0.164 30.204 30.300 0.113 0.000 0.851 315 R HN 0.957 nan 8.270 nan 0.000 0.432 316 W N 0.743 121.924 121.300 -0.199 0.000 2.374 316 W HA 0.023 4.697 4.660 0.024 0.000 0.288 316 W C -1.385 174.970 176.519 -0.275 0.000 1.218 316 W CA 0.290 57.404 57.345 -0.384 0.000 1.245 316 W CB -1.888 27.051 29.460 -0.868 0.000 1.126 316 W HN 0.085 nan 8.180 nan 0.000 0.545 317 P HA -0.213 nan 4.420 nan 0.000 0.215 317 P C 2.129 179.069 177.300 -0.600 0.000 1.157 317 P CA 2.201 64.750 63.100 -0.918 0.000 0.868 317 P CB -0.372 30.729 31.700 -0.999 0.000 0.788 318 I N -1.043 119.303 120.570 -0.374 0.000 2.315 318 I HA -0.175 4.010 4.170 0.025 0.000 0.248 318 I C 1.825 177.826 176.117 -0.193 0.000 1.117 318 I CA 1.117 62.252 61.300 -0.276 0.000 1.404 318 I CB -0.128 37.857 38.000 -0.024 0.000 1.071 318 I HN -0.221 nan 8.210 nan 0.000 0.419 319 V N 1.180 121.044 119.914 -0.084 0.000 2.287 319 V HA -0.262 3.873 4.120 0.025 0.000 0.248 319 V C 2.488 178.611 176.094 0.050 0.000 1.053 319 V CA 1.842 64.125 62.300 -0.027 0.000 1.027 319 V CB -0.719 31.063 31.823 -0.069 0.000 0.646 319 V HN 0.436 nan 8.190 nan 0.000 0.447 320 E N 0.237 120.467 120.200 0.051 0.000 2.072 320 E HA -0.149 4.216 4.350 0.025 0.000 0.191 320 E C 2.383 179.003 176.600 0.032 0.000 0.985 320 E CA 1.420 57.894 56.400 0.124 0.000 0.801 320 E CB -0.623 29.202 29.700 0.208 0.000 0.750 320 E HN 0.566 nan 8.360 nan 0.000 0.452 321 A N 1.124 123.814 122.820 -0.217 0.000 1.917 321 A HA -0.219 4.116 4.320 0.025 0.000 0.219 321 A C 2.305 180.037 177.584 0.246 0.000 1.182 321 A CA 2.027 53.880 52.037 -0.307 0.000 0.633 321 A CB -0.579 17.713 19.000 -1.180 0.000 0.819 321 A HN 0.194 nan 8.150 nan 0.000 0.448 322 M N -0.635 119.148 119.600 0.305 0.000 2.117 322 M HA -0.065 4.430 4.480 0.025 0.000 0.262 322 M C 2.313 179.019 176.300 0.677 0.000 1.065 322 M CA 1.459 57.157 55.300 0.663 0.000 1.114 322 M CB -0.617 32.198 32.600 0.358 0.000 1.361 322 M HN 0.476 nan 8.290 nan 0.000 0.408 323 G N -0.436 108.630 108.800 0.443 0.000 2.440 323 G HA2 -0.192 3.783 3.960 0.025 0.000 0.218 323 G HA3 -0.192 3.783 3.960 0.025 0.000 0.218 323 G C 1.501 176.600 174.900 0.333 0.000 1.154 323 G CA 1.566 46.897 45.100 0.386 0.000 0.767 323 G HN 0.404 nan 8.290 nan 0.000 0.552 324 T N 1.520 116.257 114.554 0.305 0.000 2.857 324 T HA 0.124 4.489 4.350 0.025 0.000 0.266 324 T C 2.809 177.629 174.700 0.200 0.000 1.048 324 T CA 1.223 63.458 62.100 0.225 0.000 1.139 324 T CB -0.279 68.756 68.868 0.278 0.000 0.874 324 T HN 0.366 nan 8.240 nan 0.000 0.455 325 A N 0.857 123.984 122.820 0.511 0.000 1.908 325 A HA -0.131 4.204 4.320 0.025 0.000 0.218 325 A C 2.082 179.816 177.584 0.250 0.000 1.181 325 A CA 1.636 53.961 52.037 0.479 0.000 0.627 325 A CB -1.029 18.520 19.000 0.915 0.000 0.818 325 A HN 0.589 nan 8.150 nan 0.000 0.445 326 Y N 0.658 121.020 120.300 0.102 0.000 2.145 326 Y HA -0.093 4.471 4.550 0.022 0.000 0.286 326 Y C 2.639 178.331 175.900 -0.346 0.000 1.145 326 Y CA 1.353 59.197 58.100 -0.427 0.000 1.148 326 Y CB -0.692 37.544 38.460 -0.373 0.000 0.981 326 Y HN 0.297 nan 8.280 nan 0.000 0.507 327 A N 0.373 122.994 122.820 -0.333 0.000 1.908 327 A HA -0.172 4.164 4.320 0.025 0.000 0.218 327 A C 2.346 179.606 177.584 -0.540 0.000 1.181 327 A CA 1.944 53.696 52.037 -0.476 0.000 0.627 327 A CB -1.181 17.626 19.000 -0.322 0.000 0.818 327 A HN 0.577 nan 8.150 nan 0.000 0.445 328 L N -2.324 118.559 121.223 -0.566 0.000 2.056 328 L HA -0.155 4.200 4.340 0.025 0.000 0.207 328 L C 2.550 179.015 176.870 -0.674 0.000 1.078 328 L CA 1.558 55.904 54.840 -0.825 0.000 0.749 328 L CB -0.552 40.585 42.059 -1.537 0.000 0.901 328 L HN 0.600 nan 8.230 nan 0.000 0.433 329 Y N 0.816 120.789 120.300 -0.544 0.000 2.165 329 Y HA -0.325 4.239 4.550 0.022 0.000 0.286 329 Y C 2.596 178.285 175.900 -0.351 0.000 1.155 329 Y CA 2.243 60.196 58.100 -0.245 0.000 1.164 329 Y CB -0.524 37.876 38.460 -0.100 0.000 0.978 329 Y HN 0.068 nan 8.280 nan 0.000 0.513 330 T N 0.613 114.813 114.554 -0.591 0.000 2.746 330 T HA -0.174 4.191 4.350 0.025 0.000 0.267 330 T C 1.718 176.132 174.700 -0.478 0.000 1.039 330 T CA 1.683 63.425 62.100 -0.597 0.000 1.142 330 T CB -0.423 68.012 68.868 -0.722 0.000 0.866 330 T HN 0.181 nan 8.240 nan 0.000 0.444 331 L N 0.955 121.900 121.223 -0.463 0.000 2.179 331 L HA 0.055 4.410 4.340 0.025 0.000 0.208 331 L C 2.746 179.427 176.870 -0.314 0.000 1.096 331 L CA 1.463 56.068 54.840 -0.392 0.000 0.779 331 L CB -0.557 41.227 42.059 -0.458 0.000 0.922 331 L HN 0.440 nan 8.230 nan 0.000 0.443 332 T N -6.744 107.622 114.554 -0.313 0.000 2.990 332 T HA 0.092 4.458 4.350 0.025 0.000 0.249 332 T C 1.009 175.599 174.700 -0.183 0.000 1.039 332 T CA 0.442 62.436 62.100 -0.177 0.000 1.036 332 T CB 0.160 69.012 68.868 -0.026 0.000 0.994 332 T HN 0.120 nan 8.240 nan 0.000 0.489 333 D N 1.283 121.451 120.400 -0.387 0.000 3.059 333 D HA -0.148 4.507 4.640 0.025 0.000 0.220 333 D C -0.677 175.539 176.300 -0.140 0.000 1.169 333 D CA 0.974 54.686 54.000 -0.480 0.000 0.902 333 D CB -1.469 39.177 40.800 -0.257 0.000 1.116 333 D HN 0.599 nan 8.370 nan 0.000 0.417 334 D N -0.661 119.766 120.400 0.045 0.000 2.316 334 D HA 0.256 4.911 4.640 0.025 0.000 0.245 334 D C 1.167 177.649 176.300 0.304 0.000 1.171 334 D CA 0.527 54.628 54.000 0.169 0.000 0.856 334 D CB 1.204 42.101 40.800 0.162 0.000 1.090 334 D HN 0.005 nan 8.370 nan 0.000 0.476 335 S N 3.536 119.367 115.700 0.218 0.000 2.420 335 S HA -0.293 4.192 4.470 0.025 0.000 0.237 335 S C 1.777 176.392 174.600 0.026 0.000 1.023 335 S CA 2.144 60.440 58.200 0.160 0.000 0.991 335 S CB -0.240 62.994 63.200 0.057 0.000 0.792 335 S HN 0.718 nan 8.310 nan 0.000 0.488 336 Q N -0.831 118.928 119.800 -0.068 0.000 2.181 336 Q HA -0.206 4.149 4.340 0.025 0.000 0.205 336 Q C 1.726 177.681 176.000 -0.074 0.000 0.980 336 Q CA 1.978 57.678 55.803 -0.172 0.000 0.862 336 Q CB -0.814 27.793 28.738 -0.219 0.000 0.905 336 Q HN 0.770 nan 8.270 nan 0.000 0.429 337 Y N 1.114 121.531 120.300 0.195 0.000 2.242 337 Y HA -0.130 4.434 4.550 0.025 0.000 0.291 337 Y C 2.432 178.475 175.900 0.238 0.000 1.137 337 Y CA 1.290 59.525 58.100 0.226 0.000 1.181 337 Y CB 0.024 38.553 38.460 0.114 0.000 0.989 337 Y HN 0.280 nan 8.280 nan 0.000 0.527 338 E N 0.724 121.059 120.200 0.226 0.000 2.106 338 E HA -0.210 4.155 4.350 0.025 0.000 0.192 338 E C 1.698 178.111 176.600 -0.313 0.000 0.984 338 E CA 1.246 57.526 56.400 -0.199 0.000 0.806 338 E CB 0.037 29.434 29.700 -0.506 0.000 0.750 338 E HN 0.542 nan 8.360 nan 0.000 0.458 339 E N -0.347 119.674 120.200 -0.299 0.000 2.077 339 E HA -0.197 4.168 4.350 0.025 0.000 0.193 339 E C 1.723 177.988 176.600 -0.559 0.000 0.989 339 E CA 1.338 57.457 56.400 -0.469 0.000 0.800 339 E CB -0.210 29.196 29.700 -0.490 0.000 0.746 339 E HN 0.425 nan 8.360 nan 0.000 0.452 340 W N 0.159 121.177 121.300 -0.470 0.000 2.355 340 W HA -0.228 4.446 4.660 0.024 0.000 0.309 340 W C 2.309 178.259 176.519 -0.949 0.000 1.206 340 W CA 1.074 57.842 57.345 -0.961 0.000 1.284 340 W CB -0.580 28.312 29.460 -0.946 0.000 1.145 340 W HN 0.164 nan 8.180 nan 0.000 0.502 341 Y N 1.511 121.702 120.300 -0.180 0.000 2.114 341 Y HA -0.394 4.171 4.550 0.026 0.000 0.282 341 Y C 2.363 178.269 175.900 0.009 0.000 1.165 341 Y CA 2.511 60.676 58.100 0.108 0.000 1.148 341 Y CB -0.755 37.833 38.460 0.213 0.000 0.972 341 Y HN 0.067 nan 8.280 nan 0.000 0.504 342 Q N 0.045 119.638 119.800 -0.344 0.000 2.050 342 Q HA -0.226 4.129 4.340 0.025 0.000 0.202 342 Q C 2.365 178.194 176.000 -0.286 0.000 0.980 342 Q CA 1.865 57.267 55.803 -0.669 0.000 0.840 342 Q CB -0.285 27.753 28.738 -1.168 0.000 0.898 342 Q HN 0.448 nan 8.270 nan 0.000 0.424 343 K N 0.004 120.193 120.400 -0.352 0.000 2.063 343 K HA -0.187 4.148 4.320 0.025 0.000 0.208 343 K C 1.675 178.317 176.600 0.068 0.000 1.048 343 K CA 1.432 57.583 56.287 -0.227 0.000 0.928 343 K CB -0.006 32.202 32.500 -0.487 0.000 0.713 343 K HN 0.267 nan 8.250 nan 0.000 0.442 344 W N -0.190 121.125 121.300 0.025 0.000 2.418 344 W HA -0.088 4.587 4.660 0.025 0.000 0.292 344 W C 1.864 178.451 176.519 0.113 0.000 1.213 344 W CA 0.082 57.459 57.345 0.052 0.000 1.283 344 W CB -1.364 28.087 29.460 -0.015 0.000 1.119 344 W HN 0.234 nan 8.180 nan 0.000 0.542 345 W N 1.186 122.632 121.300 0.243 0.000 2.335 345 W HA -0.239 4.437 4.660 0.026 0.000 0.311 345 W C 2.137 178.755 176.519 0.166 0.000 1.213 345 W CA 1.459 58.911 57.345 0.179 0.000 1.274 345 W CB -0.454 29.090 29.460 0.140 0.000 1.148 345 W HN -0.233 nan 8.180 nan 0.000 0.498 346 D N -1.184 119.468 120.400 0.420 0.000 2.104 346 D HA -0.277 4.379 4.640 0.025 0.000 0.194 346 D C 1.605 178.068 176.300 0.272 0.000 0.994 346 D CA 1.632 55.795 54.000 0.272 0.000 0.830 346 D CB -1.056 39.856 40.800 0.187 0.000 0.959 346 D HN 0.248 nan 8.370 nan 0.000 0.452 347 Y N 0.940 121.400 120.300 0.266 0.000 2.128 347 Y HA -0.299 4.266 4.550 0.025 0.000 0.284 347 Y C 2.405 178.452 175.900 0.246 0.000 1.154 347 Y CA 1.484 59.781 58.100 0.329 0.000 1.149 347 Y CB -0.372 38.391 38.460 0.505 0.000 0.976 347 Y HN -0.001 nan 8.280 nan 0.000 0.505 348 C N 0.217 119.755 119.300 0.397 0.000 2.413 348 C HA -0.206 4.269 4.460 0.025 0.000 0.276 348 C C 2.743 177.648 174.990 -0.142 0.000 1.236 348 C CA 1.434 60.517 59.018 0.108 0.000 1.735 348 C CB -1.392 26.356 27.740 0.012 0.000 2.031 348 C HN 0.753 nan 8.230 nan 0.000 0.474 349 I N 0.531 121.108 120.570 0.011 0.000 2.394 349 I HA -0.177 4.009 4.170 0.025 0.000 0.251 349 I C 2.541 178.588 176.117 -0.116 0.000 1.136 349 I CA 1.440 62.717 61.300 -0.039 0.000 1.425 349 I CB -0.374 37.680 38.000 0.090 0.000 1.079 349 I HN 0.330 nan 8.210 nan 0.000 0.425 350 K N -0.179 120.097 120.400 -0.206 0.000 2.097 350 K HA -0.179 4.156 4.320 0.025 0.000 0.205 350 K C 1.399 177.660 176.600 -0.566 0.000 1.050 350 K CA 1.806 57.821 56.287 -0.454 0.000 0.938 350 K CB -0.022 32.052 32.500 -0.710 0.000 0.718 350 K HN 0.412 nan 8.250 nan 0.000 0.442 351 Y N -1.426 118.728 120.300 -0.244 0.000 2.512 351 Y HA 0.177 4.742 4.550 0.025 0.000 0.268 351 Y C 1.587 177.452 175.900 -0.058 0.000 1.102 351 Y CA -0.400 57.558 58.100 -0.237 0.000 1.261 351 Y CB 0.656 38.798 38.460 -0.530 0.000 1.250 351 Y HN -0.118 nan 8.280 nan 0.000 0.506 352 L N -0.684 120.563 121.223 0.039 0.000 2.362 352 L HA 0.189 4.544 4.340 0.025 0.000 0.204 352 L C 0.456 177.241 176.870 -0.142 0.000 1.060 352 L CA 0.144 55.055 54.840 0.118 0.000 0.827 352 L CB 0.101 42.257 42.059 0.162 0.000 1.027 352 L HN 0.078 nan 8.230 nan 0.000 0.474 353 M N 0.903 120.167 119.600 -0.560 0.000 2.248 353 M HA -0.021 4.474 4.480 0.025 0.000 0.345 353 M C -0.451 175.551 176.300 -0.497 0.000 1.243 353 M CA 0.549 55.346 55.300 -0.840 0.000 1.090 353 M CB 0.288 32.355 32.600 -0.887 0.000 1.683 353 M HN -0.109 nan 8.290 nan 0.000 0.450 354 D N 2.276 122.311 120.400 -0.608 0.000 2.434 354 D HA 0.178 4.833 4.640 0.025 0.000 0.275 354 D C -0.073 175.998 176.300 -0.380 0.000 1.172 354 D CA -0.206 53.463 54.000 -0.551 0.000 0.916 354 D CB 0.224 40.371 40.800 -1.088 0.000 1.041 354 D HN 0.471 nan 8.370 nan 0.000 0.501 355 Y N 0.922 121.137 120.300 -0.142 0.000 2.421 355 Y HA -0.102 4.462 4.550 0.024 0.000 0.292 355 Y C 2.156 178.022 175.900 -0.057 0.000 1.136 355 Y CA 0.743 58.794 58.100 -0.082 0.000 1.255 355 Y CB 0.332 38.763 38.460 -0.048 0.000 0.991 355 Y HN 0.352 nan 8.280 nan 0.000 0.552 356 E N 0.613 120.864 120.200 0.085 0.000 2.028 356 E HA -0.149 4.216 4.350 0.025 0.000 0.191 356 E C 1.426 178.045 176.600 0.031 0.000 0.988 356 E CA 1.737 58.179 56.400 0.070 0.000 0.799 356 E CB -0.130 29.628 29.700 0.097 0.000 0.755 356 E HN 0.300 nan 8.360 nan 0.000 0.447 357 N N -0.489 118.177 118.700 -0.056 0.000 2.282 357 N HA 0.199 4.954 4.740 0.025 0.000 0.185 357 N C -0.004 175.502 175.510 -0.006 0.000 1.099 357 N CA 0.870 53.898 53.050 -0.037 0.000 0.878 357 N CB 1.370 39.802 38.487 -0.091 0.000 0.993 357 N HN 0.233 nan 8.380 nan 0.000 0.481 358 G N 0.555 109.283 108.800 -0.120 0.000 2.576 358 G HA2 0.051 4.026 3.960 0.025 0.000 0.686 358 G HA3 0.051 4.026 3.960 0.025 0.000 0.686 358 G C -0.149 174.409 174.900 -0.570 0.000 1.242 358 G CA -0.208 44.824 45.100 -0.114 0.000 0.819 358 G HN 0.271 nan 8.290 nan 0.000 0.655 359 S N -1.251 114.079 115.700 -0.617 0.000 3.236 359 S HA -0.165 4.321 4.470 0.025 0.000 0.629 359 S C 0.089 174.565 174.600 -0.205 0.000 2.873 359 S CA 2.123 59.940 58.200 -0.637 0.000 3.603 359 S CB -1.013 61.276 63.200 -1.517 0.000 0.287 359 S HN 2.010 nan 8.310 nan 0.000 1.458 360 W N 0.144 121.108 121.300 -0.559 0.000 2.781 360 W HA 0.637 5.312 4.660 0.024 0.000 0.345 360 W C -0.597 175.720 176.519 -0.337 0.000 1.085 360 W CA -1.432 55.676 57.345 -0.396 0.000 1.198 360 W CB -0.238 29.112 29.460 -0.183 0.000 1.423 360 W HN 0.694 nan 8.180 nan 0.000 0.532 361 W N 1.749 123.121 121.300 0.121 0.000 2.209 361 W HA 0.068 4.744 4.660 0.026 0.000 0.344 361 W C 1.776 178.357 176.519 0.104 0.000 1.285 361 W CA 0.117 57.514 57.345 0.087 0.000 1.267 361 W CB 0.330 29.830 29.460 0.068 0.000 1.167 361 W HN 0.375 nan 8.180 nan 0.000 0.574 362 Q N 0.875 120.887 119.800 0.353 0.000 2.302 362 Q HA 0.012 4.368 4.340 0.025 0.000 0.202 362 Q C -0.200 175.899 176.000 0.166 0.000 0.936 362 Q CA 1.244 57.154 55.803 0.178 0.000 0.886 362 Q CB 0.387 29.202 28.738 0.129 0.000 0.986 362 Q HN 0.534 nan 8.270 nan 0.000 0.487 363 E N -0.578 119.743 120.200 0.201 0.000 2.347 363 E HA 0.393 4.758 4.350 0.025 0.000 0.285 363 E C -1.660 174.969 176.600 0.050 0.000 0.925 363 E CA -0.401 56.071 56.400 0.120 0.000 0.779 363 E CB 0.893 30.676 29.700 0.138 0.000 1.233 363 E HN 0.204 nan 8.360 nan 0.000 0.414 364 L N 2.547 123.777 121.223 0.011 0.000 2.319 364 L HA 0.506 4.861 4.340 0.025 0.000 0.267 364 L C 0.065 176.894 176.870 -0.068 0.000 1.011 364 L CA -1.217 53.587 54.840 -0.060 0.000 0.818 364 L CB 1.415 43.436 42.059 -0.064 0.000 1.316 364 L HN 0.652 nan 8.230 nan 0.000 0.432 365 D N 0.901 121.243 120.400 -0.096 0.000 2.414 365 D HA 0.157 4.812 4.640 0.025 0.000 0.259 365 D C 0.953 177.193 176.300 -0.100 0.000 1.269 365 D CA -0.138 53.810 54.000 -0.086 0.000 1.028 365 D CB 0.703 41.453 40.800 -0.084 0.000 1.093 365 D HN 0.556 nan 8.370 nan 0.000 0.545 366 A N -0.779 121.986 122.820 -0.092 0.000 2.172 366 A HA -0.107 4.228 4.320 0.025 0.000 0.216 366 A C 1.172 178.677 177.584 -0.132 0.000 1.154 366 A CA 1.024 52.997 52.037 -0.106 0.000 0.701 366 A CB -0.466 18.483 19.000 -0.086 0.000 0.789 366 A HN 0.530 nan 8.150 nan 0.000 0.465 367 D N -0.114 120.206 120.400 -0.134 0.000 2.368 367 D HA 0.053 4.709 4.640 0.025 0.000 0.218 367 D C -0.253 175.906 176.300 -0.234 0.000 1.112 367 D CA -0.089 53.819 54.000 -0.153 0.000 0.834 367 D CB 0.006 40.743 40.800 -0.105 0.000 0.953 367 D HN 0.327 nan 8.370 nan 0.000 0.505 368 N N 1.161 119.699 118.700 -0.271 0.000 2.776 368 N HA -0.191 4.564 4.740 0.025 0.000 0.250 368 N C 0.089 175.432 175.510 -0.279 0.000 1.112 368 N CA 0.670 53.471 53.050 -0.415 0.000 0.733 368 N CB -1.172 36.695 38.487 -1.032 0.000 1.097 368 N HN 0.382 nan 8.380 nan 0.000 0.558 369 K N 1.016 121.305 120.400 -0.186 0.000 2.156 369 K HA 0.398 4.733 4.320 0.025 0.000 0.271 369 K C 0.296 176.768 176.600 -0.213 0.000 0.995 369 K CA -0.493 55.697 56.287 -0.163 0.000 0.890 369 K CB 1.323 33.748 32.500 -0.125 0.000 1.073 369 K HN -0.103 nan 8.250 nan 0.000 0.454 370 V N 3.297 123.007 119.914 -0.340 0.000 2.681 370 V HA -0.044 4.092 4.120 0.025 0.000 0.306 370 V C 0.594 176.520 176.094 -0.280 0.000 1.077 370 V CA 0.734 62.751 62.300 -0.472 0.000 1.224 370 V CB 0.741 31.947 31.823 -1.029 0.000 0.879 370 V HN 0.895 nan 8.190 nan 0.000 0.494 371 T N 3.489 117.937 114.554 -0.176 0.000 2.841 371 T HA 0.563 4.928 4.350 0.025 0.000 0.296 371 T C -0.700 173.988 174.700 -0.019 0.000 1.166 371 T CA -0.382 61.664 62.100 -0.090 0.000 1.007 371 T CB 2.018 70.844 68.868 -0.069 0.000 1.253 371 T HN 0.698 nan 8.240 nan 0.000 0.511 372 T N 2.736 117.293 114.554 0.004 0.000 2.864 372 T HA 0.515 4.880 4.350 0.025 0.000 0.299 372 T C 0.196 174.911 174.700 0.025 0.000 1.011 372 T CA -0.636 61.495 62.100 0.051 0.000 0.975 372 T CB 1.522 70.428 68.868 0.064 0.000 0.962 372 T HN 0.644 nan 8.240 nan 0.000 0.448 373 K N 2.298 122.713 120.400 0.025 0.000 3.056 373 K HA 0.207 4.542 4.320 0.025 0.000 0.231 373 K C 1.378 177.942 176.600 -0.059 0.000 2.020 373 K CA 0.051 56.326 56.287 -0.020 0.000 1.343 373 K CB 0.040 32.519 32.500 -0.035 0.000 2.325 373 K HN 0.243 nan 8.250 nan 0.000 0.513 374 V N 0.905 120.767 119.914 -0.087 0.000 2.453 374 V HA -0.034 4.101 4.120 0.025 0.000 0.247 374 V C 0.603 176.502 176.094 -0.326 0.000 1.048 374 V CA 1.251 63.405 62.300 -0.244 0.000 1.049 374 V CB -0.278 31.326 31.823 -0.365 0.000 0.672 374 V HN 0.283 nan 8.190 nan 0.000 0.457 375 W N -1.869 119.426 121.300 -0.008 0.000 2.967 375 W HA 0.617 5.293 4.660 0.026 0.000 0.342 375 W C -0.812 175.797 176.519 0.150 0.000 1.162 375 W CA -0.508 56.898 57.345 0.102 0.000 1.085 375 W CB 1.147 30.678 29.460 0.118 0.000 1.460 375 W HN -0.296 nan 8.180 nan 0.000 0.584 376 D N 0.348 121.125 120.400 0.627 0.000 2.470 376 D HA 0.455 5.110 4.640 0.025 0.000 0.233 376 D C -0.085 176.570 176.300 0.591 0.000 1.372 376 D CA 0.749 55.013 54.000 0.440 0.000 0.994 376 D CB 0.944 41.891 40.800 0.245 0.000 1.377 376 D HN 0.590 nan 8.370 nan 0.000 0.586 377 G N 2.903 111.986 108.800 0.471 0.000 2.483 377 G HA2 -0.099 3.877 3.960 0.025 0.000 0.521 377 G HA3 -0.099 3.877 3.960 0.025 0.000 0.521 377 G C -0.735 174.371 174.900 0.344 0.000 1.278 377 G CA -0.801 44.580 45.100 0.468 0.000 0.965 377 G HN 0.377 nan 8.290 nan 0.000 0.504 378 K N 0.966 121.530 120.400 0.272 0.000 3.163 378 K HA 0.196 4.531 4.320 0.025 0.000 0.186 378 K C 1.447 178.081 176.600 0.057 0.000 1.111 378 K CA -0.242 56.126 56.287 0.136 0.000 0.918 378 K CB 1.007 33.599 32.500 0.153 0.000 1.059 378 K HN 0.548 nan 8.250 nan 0.000 0.558 379 Q N 0.154 119.831 119.800 -0.206 0.000 2.436 379 Q HA -0.078 4.277 4.340 0.025 0.000 0.209 379 Q C -0.459 175.300 176.000 -0.402 0.000 0.965 379 Q CA 1.199 56.702 55.803 -0.501 0.000 0.910 379 Q CB -0.005 27.873 28.738 -1.434 0.000 0.980 379 Q HN 0.287 nan 8.270 nan 0.000 0.491 380 D N 0.213 120.440 120.400 -0.288 0.000 2.278 380 D HA 0.345 5.000 4.640 0.025 0.000 0.245 380 D C 0.706 176.921 176.300 -0.141 0.000 1.052 380 D CA -0.560 53.309 54.000 -0.218 0.000 0.834 380 D CB 0.974 41.683 40.800 -0.152 0.000 1.194 380 D HN 0.191 nan 8.370 nan 0.000 0.481 381 I N 1.229 121.728 120.570 -0.119 0.000 4.288 381 I HA 0.207 4.392 4.170 0.025 0.000 0.331 381 I C 1.383 177.395 176.117 -0.174 0.000 1.322 381 I CA -0.522 60.686 61.300 -0.154 0.000 1.149 381 I CB -0.148 37.796 38.000 -0.093 0.000 1.112 381 I HN 0.401 nan 8.210 nan 0.000 0.403 382 Y N 2.767 122.913 120.300 -0.256 0.000 2.114 382 Y HA -0.315 4.251 4.550 0.026 0.000 0.282 382 Y C 2.585 178.234 175.900 -0.419 0.000 1.165 382 Y CA 2.122 60.056 58.100 -0.278 0.000 1.148 382 Y CB -0.697 37.586 38.460 -0.295 0.000 0.972 382 Y HN 0.186 nan 8.280 nan 0.000 0.504 383 H N 0.344 118.963 119.070 -0.752 0.000 2.421 383 H HA -0.132 4.439 4.556 0.025 0.000 0.298 383 H C 2.339 177.265 175.328 -0.669 0.000 1.087 383 H CA 1.847 57.385 56.048 -0.850 0.000 1.330 383 H CB -0.289 29.305 29.762 -0.280 0.000 1.388 383 H HN 0.431 nan 8.280 nan 0.000 0.526 384 L N 0.645 121.613 121.223 -0.425 0.000 2.187 384 L HA -0.177 4.179 4.340 0.025 0.000 0.213 384 L C 2.387 179.076 176.870 -0.302 0.000 1.100 384 L CA 0.527 55.101 54.840 -0.443 0.000 0.765 384 L CB -0.325 41.379 42.059 -0.592 0.000 0.904 384 L HN 0.210 nan 8.230 nan 0.000 0.437 385 L N -1.281 119.732 121.223 -0.349 0.000 2.362 385 L HA -0.197 4.159 4.340 0.025 0.000 0.219 385 L C 2.151 179.025 176.870 0.007 0.000 1.134 385 L CA 0.969 55.706 54.840 -0.172 0.000 0.807 385 L CB -0.793 41.190 42.059 -0.126 0.000 0.927 385 L HN 0.423 nan 8.230 nan 0.000 0.447 386 H N -0.961 118.083 119.070 -0.043 0.000 2.502 386 H HA -0.089 4.482 4.556 0.024 0.000 0.283 386 H C 2.246 177.658 175.328 0.141 0.000 1.015 386 H CA 1.055 57.132 56.048 0.048 0.000 1.298 386 H CB 0.180 29.963 29.762 0.035 0.000 1.411 386 H HN 0.585 nan 8.280 nan 0.000 0.556 387 C N -1.090 118.354 119.300 0.239 0.000 3.065 387 C HA 0.335 4.810 4.460 0.025 0.000 0.285 387 C C 1.862 177.172 174.990 0.534 0.000 1.257 387 C CA -0.567 58.677 59.018 0.376 0.000 1.691 387 C CB -0.694 27.163 27.740 0.196 0.000 2.089 387 C HN 0.384 nan 8.230 nan 0.000 0.630 388 L N 0.623 122.036 121.223 0.316 0.000 2.388 388 L HA 0.185 4.540 4.340 0.025 0.000 0.209 388 L C 2.440 179.392 176.870 0.136 0.000 1.061 388 L CA 0.719 55.717 54.840 0.263 0.000 0.834 388 L CB 0.006 42.115 42.059 0.084 0.000 1.029 388 L HN 0.199 nan 8.230 nan 0.000 0.473 389 V N -1.042 118.929 119.914 0.095 0.000 3.013 389 V HA 0.026 4.161 4.120 0.025 0.000 0.238 389 V C 2.123 178.251 176.094 0.057 0.000 1.161 389 V CA 0.295 62.633 62.300 0.062 0.000 1.170 389 V CB 0.522 32.378 31.823 0.055 0.000 0.917 389 V HN 0.166 nan 8.190 nan 0.000 0.478 390 I N 1.156 121.783 120.570 0.096 0.000 2.151 390 I HA -0.185 4.000 4.170 0.025 0.000 0.243 390 I C -0.513 175.452 176.117 -0.253 0.000 1.080 390 I CA 1.965 63.306 61.300 0.068 0.000 1.339 390 I CB -1.188 36.930 38.000 0.196 0.000 1.039 390 I HN 0.354 nan 8.210 nan 0.000 0.409 391 P HA -0.101 nan 4.420 nan 0.000 0.236 391 P C 0.763 177.713 177.300 -0.584 0.000 1.172 391 P CA 1.171 63.585 63.100 -1.143 0.000 0.759 391 P CB -0.092 31.464 31.700 -0.240 0.000 0.843 392 R N -1.521 118.858 120.500 -0.201 0.000 2.432 392 R HA 0.314 4.669 4.340 0.025 0.000 0.260 392 R C 0.254 176.581 176.300 0.044 0.000 0.935 392 R CA -0.012 56.078 56.100 -0.016 0.000 1.080 392 R CB 0.252 30.568 30.300 0.027 0.000 1.155 392 R HN 0.222 nan 8.270 nan 0.000 0.531 393 L N 1.065 122.321 121.223 0.056 0.000 2.371 393 L HA 0.538 4.893 4.340 0.025 0.000 0.262 393 L C -2.303 174.701 176.870 0.224 0.000 1.006 393 L CA -2.589 52.330 54.840 0.132 0.000 0.818 393 L CB 2.185 44.317 42.059 0.121 0.000 1.354 393 L HN -0.178 nan 8.230 nan 0.000 0.415 394 P HA 0.116 nan 4.420 nan 0.000 0.274 394 P C 0.393 177.803 177.300 0.183 0.000 1.260 394 P CA -0.273 62.918 63.100 0.151 0.000 0.793 394 P CB 0.956 32.713 31.700 0.096 0.000 1.048 395 L N -1.192 120.110 121.223 0.132 0.000 2.418 395 L HA 0.189 4.544 4.340 0.025 0.000 0.218 395 L C 1.221 178.245 176.870 0.256 0.000 1.125 395 L CA 0.564 55.522 54.840 0.197 0.000 0.835 395 L CB -0.341 41.712 42.059 -0.010 0.000 0.953 395 L HN 0.368 nan 8.230 nan 0.000 0.454 396 A N 0.129 123.039 122.820 0.149 0.000 2.414 396 A HA 0.711 5.046 4.320 0.025 0.000 0.306 396 A C -2.409 175.239 177.584 0.107 0.000 1.054 396 A CA -1.220 50.897 52.037 0.134 0.000 0.724 396 A CB 0.966 20.030 19.000 0.108 0.000 1.267 396 A HN -0.181 nan 8.150 nan 0.000 0.418 397 P HA 0.322 nan 4.420 nan 0.000 0.275 397 P C 0.700 178.054 177.300 0.089 0.000 1.270 397 P CA 0.093 63.262 63.100 0.116 0.000 0.791 397 P CB 0.339 32.092 31.700 0.088 0.000 1.089 398 G N -0.763 108.066 108.800 0.047 0.000 2.631 398 G HA2 0.123 4.098 3.960 0.025 0.000 0.271 398 G HA3 0.123 4.098 3.960 0.025 0.000 0.271 398 G C 0.885 175.786 174.900 0.001 0.000 1.302 398 G CA -0.400 44.674 45.100 -0.043 0.000 1.002 398 G HN 0.538 nan 8.290 nan 0.000 0.519 399 L N 0.753 121.970 121.223 -0.010 0.000 1.951 399 L HA -0.178 4.177 4.340 0.025 0.000 0.222 399 L C 3.015 179.922 176.870 0.062 0.000 1.078 399 L CA 3.358 58.238 54.840 0.067 0.000 0.778 399 L CB -1.052 41.092 42.059 0.143 0.000 0.893 399 L HN 0.579 nan 8.230 nan 0.000 0.436 400 A N -0.566 122.294 122.820 0.067 0.000 1.877 400 A HA -0.079 4.256 4.320 0.025 0.000 0.216 400 A C 0.226 177.822 177.584 0.019 0.000 1.186 400 A CA 1.849 53.899 52.037 0.022 0.000 0.620 400 A CB -2.133 16.879 19.000 0.020 0.000 0.822 400 A HN 0.511 nan 8.150 nan 0.000 0.443 401 P HA -0.159 nan 4.420 nan 0.000 0.216 401 P C 1.756 179.070 177.300 0.025 0.000 1.153 401 P CA 2.093 65.198 63.100 0.008 0.000 0.858 401 P CB -0.133 31.565 31.700 -0.004 0.000 0.789 402 A N -0.752 122.092 122.820 0.040 0.000 1.902 402 A HA -0.150 4.185 4.320 0.025 0.000 0.217 402 A C 2.323 179.936 177.584 0.048 0.000 1.181 402 A CA 1.795 53.864 52.037 0.053 0.000 0.623 402 A CB -1.694 17.349 19.000 0.072 0.000 0.818 402 A HN 0.031 nan 8.150 nan 0.000 0.443 403 V N -0.118 119.822 119.914 0.044 0.000 2.343 403 V HA -0.237 3.898 4.120 0.025 0.000 0.247 403 V C 3.034 179.147 176.094 0.031 0.000 1.051 403 V CA 1.897 64.221 62.300 0.040 0.000 1.036 403 V CB -1.264 30.581 31.823 0.037 0.000 0.654 403 V HN 0.601 nan 8.190 nan 0.000 0.451 404 A N 0.042 122.876 122.820 0.024 0.000 1.972 404 A HA -0.057 4.279 4.320 0.025 0.000 0.219 404 A C 2.292 179.889 177.584 0.022 0.000 1.169 404 A CA 1.799 53.848 52.037 0.020 0.000 0.635 404 A CB -0.618 18.392 19.000 0.015 0.000 0.810 404 A HN 0.593 nan 8.150 nan 0.000 0.446 405 A N -1.695 121.141 122.820 0.027 0.000 2.209 405 A HA 0.375 4.710 4.320 0.025 0.000 0.212 405 A C 1.798 179.402 177.584 0.033 0.000 1.158 405 A CA 1.298 53.353 52.037 0.030 0.000 0.742 405 A CB -0.950 18.073 19.000 0.038 0.000 0.790 405 A HN 1.925 nan 8.150 nan 0.000 0.472 406 G N -1.320 107.501 108.800 0.034 0.000 2.149 406 G HA2 -0.213 3.762 3.960 0.025 0.000 0.235 406 G HA3 -0.213 3.762 3.960 0.025 0.000 0.235 406 G C 0.494 175.420 174.900 0.042 0.000 1.018 406 G CA 0.335 45.456 45.100 0.035 0.000 0.728 406 G HN 0.484 nan 8.290 nan 0.000 0.508 407 L N -0.149 121.103 121.223 0.049 0.000 2.591 407 L HA 0.332 4.687 4.340 0.025 0.000 0.228 407 L C 1.658 178.566 176.870 0.063 0.000 1.133 407 L CA -0.232 54.643 54.840 0.057 0.000 0.880 407 L CB -0.012 42.085 42.059 0.064 0.000 1.033 407 L HN 0.248 nan 8.230 nan 0.000 0.450 408 L N 1.455 122.713 121.223 0.058 0.000 2.540 408 L HA -0.095 4.260 4.340 0.025 0.000 0.276 408 L C 0.545 177.452 176.870 0.062 0.000 1.212 408 L CA 0.340 55.215 54.840 0.059 0.000 0.893 408 L CB 0.086 42.176 42.059 0.052 0.000 1.138 408 L HN 0.322 nan 8.230 nan 0.000 0.491 409 D N 1.420 121.863 120.400 0.071 0.000 3.077 409 D HA -0.295 4.360 4.640 0.025 0.000 0.217 409 D C 1.185 177.536 176.300 0.085 0.000 1.162 409 D CA 1.201 55.249 54.000 0.081 0.000 0.943 409 D CB -0.983 39.859 40.800 0.070 0.000 1.122 409 D HN 0.655 nan 8.370 nan 0.000 0.413 410 I N 0.317 120.936 120.570 0.082 0.000 2.264 410 I HA -0.283 3.902 4.170 0.025 0.000 0.248 410 I C 1.484 177.652 176.117 0.086 0.000 1.111 410 I CA 1.516 62.862 61.300 0.076 0.000 1.382 410 I CB 0.087 38.129 38.000 0.070 0.000 1.060 410 I HN -0.013 nan 8.210 nan 0.000 0.418 411 N N 1.233 119.997 118.700 0.106 0.000 2.398 411 N HA 0.143 4.899 4.740 0.025 0.000 0.188 411 N C 0.295 175.885 175.510 0.133 0.000 1.122 411 N CA 0.612 53.732 53.050 0.117 0.000 0.866 411 N CB 0.111 38.681 38.487 0.138 0.000 0.970 411 N HN 0.366 nan 8.380 nan 0.000 0.462 419 H N 0.588 119.722 119.070 0.107 0.000 2.547 419 H HA 0.177 4.747 4.556 0.023 0.000 0.272 419 H C 0.537 175.913 175.328 0.080 0.000 0.989 419 H CA 0.935 57.047 56.048 0.107 0.000 1.214 419 H CB -0.045 29.800 29.762 0.138 0.000 1.389 419 H HN 0.656 nan 8.280 nan 0.000 0.577 420 H N -2.493 116.406 119.070 -0.286 0.000 2.966 420 H HA 0.416 4.989 4.556 0.028 0.000 0.330 420 H C -0.874 174.299 175.328 -0.259 0.000 1.292 420 H CA -1.185 54.701 56.048 -0.270 0.000 1.127 420 H CB 0.880 30.445 29.762 -0.329 0.000 1.863 420 H HN 0.065 nan 8.280 nan 0.000 0.543 421 H N 0.000 119.167 119.070 0.162 0.000 2.539 421 H HA 0.000 4.572 4.556 0.027 0.000 0.296 421 H CA 0.000 56.114 56.048 0.109 0.000 1.023 421 H CB 0.000 29.805 29.762 0.071 0.000 1.292 421 H HN 0.000 nan 8.280 nan 0.000 0.496