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_F 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 0.000 176.169 176.300 -0.219 0.000 1.140 1 M CA 0.000 55.215 55.300 -0.142 0.000 0.988 1 M CB 0.000 32.483 32.600 -0.194 0.000 1.302 2 K N 3.469 123.795 120.400 -0.125 0.000 2.240 2 K HA 0.332 4.667 4.320 0.025 0.000 0.271 2 K C -0.719 175.921 176.600 0.067 0.000 1.018 2 K CA -0.110 56.053 56.287 -0.207 0.000 0.874 2 K CB 1.357 33.526 32.500 -0.551 0.000 1.098 2 K HN 0.721 nan 8.250 nan 0.000 0.458 3 W N 1.176 122.264 121.300 -0.354 0.000 3.298 3 W HA 0.196 4.871 4.660 0.024 0.000 0.239 3 W C 0.270 176.715 176.519 -0.124 0.000 1.082 3 W CA -0.486 56.658 57.345 -0.335 0.000 1.711 3 W CB -0.558 28.503 29.460 -0.666 0.000 0.944 3 W HN 0.341 nan 8.180 nan 0.000 0.712 4 F N 2.781 122.775 119.950 0.073 0.000 2.629 4 F HA -0.030 4.510 4.527 0.022 0.000 0.377 4 F C 1.244 177.131 175.800 0.146 0.000 1.101 4 F CA 0.389 58.437 58.000 0.079 0.000 1.301 4 F CB -0.857 38.069 39.000 -0.124 0.000 1.062 4 F HN 0.157 nan 8.300 nan 0.000 0.583 5 N N -1.292 117.665 118.700 0.428 0.000 2.741 5 N HA -0.190 4.565 4.740 0.025 0.000 0.250 5 N C -0.611 175.053 175.510 0.257 0.000 1.115 5 N CA 0.765 53.999 53.050 0.306 0.000 0.724 5 N CB -1.278 37.386 38.487 0.294 0.000 1.090 5 N HN 0.723 nan 8.380 nan 0.000 0.558 6 T N -2.747 111.966 114.554 0.266 0.000 2.823 6 T HA 0.562 4.927 4.350 0.025 0.000 0.279 6 T C 1.147 175.960 174.700 0.188 0.000 0.998 6 T CA -1.037 61.203 62.100 0.233 0.000 0.994 6 T CB 1.823 70.831 68.868 0.235 0.000 0.960 6 T HN 0.094 nan 8.240 nan 0.000 0.448 7 L N 2.257 123.564 121.223 0.141 0.000 2.083 7 L HA -0.100 4.255 4.340 0.025 0.000 0.209 7 L C 3.099 180.013 176.870 0.074 0.000 1.083 7 L CA 1.568 56.466 54.840 0.097 0.000 0.752 7 L CB -0.702 41.401 42.059 0.073 0.000 0.899 7 L HN 0.935 nan 8.230 nan 0.000 0.433 8 S N -1.054 114.689 115.700 0.072 0.000 2.359 8 S HA -0.315 4.170 4.470 0.025 0.000 0.224 8 S C 1.950 176.563 174.600 0.022 0.000 1.035 8 S CA 1.577 59.797 58.200 0.033 0.000 1.018 8 S CB -0.687 62.520 63.200 0.012 0.000 0.876 8 S HN 0.531 nan 8.310 nan 0.000 0.448 9 H N 2.524 121.550 119.070 -0.073 0.000 2.357 9 H HA 0.103 4.673 4.556 0.023 0.000 0.301 9 H C 1.868 177.216 175.328 0.034 0.000 1.082 9 H CA 1.940 57.906 56.048 -0.137 0.000 1.342 9 H CB -0.610 29.073 29.762 -0.131 0.000 1.389 9 H HN 0.347 nan 8.280 nan 0.000 0.511 10 N N 0.298 118.991 118.700 -0.011 0.000 2.223 10 N HA -0.089 4.666 4.740 0.025 0.000 0.185 10 N C 1.905 177.387 175.510 -0.047 0.000 1.016 10 N CA 0.887 53.915 53.050 -0.037 0.000 0.863 10 N CB -0.191 38.333 38.487 0.061 0.000 0.983 10 N HN 0.390 nan 8.380 nan 0.000 0.429 11 R N -0.806 119.683 120.500 -0.018 0.000 2.073 11 R HA -0.134 4.221 4.340 0.025 0.000 0.234 11 R C 1.966 178.231 176.300 -0.058 0.000 1.134 11 R CA 1.268 57.352 56.100 -0.027 0.000 0.952 11 R CB -0.424 29.873 30.300 -0.004 0.000 0.850 11 R HN 0.341 nan 8.270 nan 0.000 0.433 12 W N 1.631 122.793 121.300 -0.230 0.000 2.335 12 W HA -0.188 4.485 4.660 0.021 0.000 0.311 12 W C 1.692 178.038 176.519 -0.290 0.000 1.213 12 W CA 1.453 58.633 57.345 -0.274 0.000 1.274 12 W CB -0.288 28.948 29.460 -0.373 0.000 1.148 12 W HN -0.021 nan 8.180 nan 0.000 0.498 13 L N 0.115 121.283 121.223 -0.091 0.000 2.012 13 L HA -0.272 4.083 4.340 0.025 0.000 0.210 13 L C 2.502 179.249 176.870 -0.205 0.000 1.073 13 L CA 2.118 56.882 54.840 -0.126 0.000 0.748 13 L CB -1.206 40.824 42.059 -0.049 0.000 0.891 13 L HN 0.091 nan 8.230 nan 0.000 0.431 14 E N -0.016 120.086 120.200 -0.163 0.000 2.085 14 E HA -0.276 4.089 4.350 0.025 0.000 0.194 14 E C 2.233 178.707 176.600 -0.211 0.000 0.994 14 E CA 1.384 57.695 56.400 -0.147 0.000 0.801 14 E CB 0.035 29.689 29.700 -0.077 0.000 0.743 14 E HN 0.494 nan 8.360 nan 0.000 0.453 15 Q N -0.069 119.569 119.800 -0.269 0.000 2.084 15 Q HA -0.221 4.134 4.340 0.025 0.000 0.202 15 Q C 2.085 177.871 176.000 -0.356 0.000 0.978 15 Q CA 1.571 57.201 55.803 -0.288 0.000 0.844 15 Q CB -0.062 28.485 28.738 -0.318 0.000 0.898 15 Q HN 0.168 nan 8.270 nan 0.000 0.426 16 E N 0.207 120.078 120.200 -0.548 0.000 2.106 16 E HA -0.137 4.228 4.350 0.025 0.000 0.192 16 E C 1.741 178.159 176.600 -0.302 0.000 0.984 16 E CA 1.743 57.870 56.400 -0.455 0.000 0.806 16 E CB -0.201 29.113 29.700 -0.642 0.000 0.750 16 E HN 0.221 nan 8.360 nan 0.000 0.458 17 T N 1.071 115.418 114.554 -0.345 0.000 2.720 17 T HA -0.157 4.208 4.350 0.025 0.000 0.268 17 T C 1.229 175.539 174.700 -0.650 0.000 1.037 17 T CA 1.466 63.245 62.100 -0.535 0.000 1.144 17 T CB -0.421 68.127 68.868 -0.532 0.000 0.864 17 T HN 0.213 nan 8.240 nan 0.000 0.444 18 D N 0.537 120.745 120.400 -0.321 0.000 2.144 18 D HA -0.053 4.602 4.640 0.025 0.000 0.199 18 D C 2.294 178.582 176.300 -0.021 0.000 0.984 18 D CA 0.812 54.766 54.000 -0.075 0.000 0.834 18 D CB -0.247 40.554 40.800 0.002 0.000 0.955 18 D HN 0.294 nan 8.370 nan 0.000 0.465 19 R N 0.221 120.676 120.500 -0.075 0.000 2.081 19 R HA -0.121 4.234 4.340 0.025 0.000 0.235 19 R C 2.155 178.467 176.300 0.021 0.000 1.131 19 R CA 0.829 56.925 56.100 -0.006 0.000 0.960 19 R CB -0.031 30.255 30.300 -0.024 0.000 0.856 19 R HN 0.095 nan 8.270 nan 0.000 0.436 20 I N 0.289 120.804 120.570 -0.093 0.000 2.202 20 I HA -0.238 3.947 4.170 0.025 0.000 0.242 20 I C 2.065 178.234 176.117 0.086 0.000 1.091 20 I CA 1.266 62.512 61.300 -0.089 0.000 1.368 20 I CB -1.279 36.556 38.000 -0.275 0.000 1.058 20 I HN 0.077 nan 8.210 nan 0.000 0.410 21 F N 1.807 121.769 119.950 0.021 0.000 2.126 21 F HA -0.211 4.330 4.527 0.023 0.000 0.299 21 F C 2.401 178.330 175.800 0.216 0.000 1.096 21 F CA 1.015 59.071 58.000 0.092 0.000 1.255 21 F CB -1.549 37.503 39.000 0.087 0.000 0.997 21 F HN 0.210 nan 8.300 nan 0.000 0.479 22 N N -0.241 118.664 118.700 0.342 0.000 2.104 22 N HA -0.227 4.528 4.740 0.025 0.000 0.190 22 N C 1.894 177.539 175.510 0.225 0.000 1.024 22 N CA 1.151 54.342 53.050 0.235 0.000 0.853 22 N CB -0.999 37.588 38.487 0.167 0.000 1.008 22 N HN 0.258 nan 8.380 nan 0.000 0.424 23 F N 1.234 121.244 119.950 0.100 0.000 2.134 23 F HA -0.023 4.518 4.527 0.025 0.000 0.299 23 F C 2.225 178.082 175.800 0.094 0.000 1.097 23 F CA 1.602 59.640 58.000 0.064 0.000 1.264 23 F CB -0.587 38.424 39.000 0.018 0.000 1.001 23 F HN 0.053 nan 8.300 nan 0.000 0.479 24 G N -0.198 108.781 108.800 0.298 0.000 2.509 24 G HA2 -0.209 3.766 3.960 0.025 0.000 0.218 24 G HA3 -0.209 3.766 3.960 0.025 0.000 0.218 24 G C 1.633 176.626 174.900 0.155 0.000 1.124 24 G CA 0.440 45.688 45.100 0.247 0.000 0.776 24 G HN 0.329 nan 8.290 nan 0.000 0.547 25 K N 0.671 121.126 120.400 0.092 0.000 2.209 25 K HA -0.063 4.272 4.320 0.025 0.000 0.204 25 K C 1.904 178.460 176.600 -0.073 0.000 1.048 25 K CA 0.889 57.144 56.287 -0.054 0.000 0.940 25 K CB -0.066 32.397 32.500 -0.062 0.000 0.729 25 K HN 0.181 nan 8.250 nan 0.000 0.451 26 N N 0.974 119.609 118.700 -0.109 0.000 2.453 26 N HA -0.112 4.643 4.740 0.025 0.000 0.183 26 N C 1.388 176.846 175.510 -0.085 0.000 1.041 26 N CA 0.908 53.875 53.050 -0.138 0.000 0.900 26 N CB 0.001 38.336 38.487 -0.253 0.000 0.961 26 N HN 0.190 nan 8.380 nan 0.000 0.443 27 A N 0.483 123.298 122.820 -0.007 0.000 2.208 27 A HA 0.097 4.432 4.320 0.025 0.000 0.209 27 A C 0.892 178.518 177.584 0.070 0.000 1.161 27 A CA -0.092 52.000 52.037 0.091 0.000 0.782 27 A CB 0.039 19.161 19.000 0.203 0.000 0.816 27 A HN 0.005 nan 8.150 nan 0.000 0.477 28 V N 1.611 121.478 119.914 -0.078 0.000 2.540 28 V HA 0.260 4.395 4.120 0.025 0.000 0.297 28 V C 0.364 176.305 176.094 -0.255 0.000 1.024 28 V CA 0.520 62.592 62.300 -0.380 0.000 1.105 28 V CB 0.192 31.701 31.823 -0.523 0.000 0.938 28 V HN 0.471 nan 8.190 nan 0.000 0.482 29 V N 3.248 123.033 119.914 -0.214 0.000 3.130 29 V HA 0.560 4.695 4.120 0.025 0.000 0.310 29 V C -2.274 173.817 176.094 -0.005 0.000 1.158 29 V CA -2.061 60.188 62.300 -0.085 0.000 1.029 29 V CB 1.773 33.582 31.823 -0.024 0.000 1.057 29 V HN 0.476 nan 8.190 nan 0.000 0.436 30 P HA -0.105 nan 4.420 nan 0.000 0.217 30 P C 1.267 178.573 177.300 0.010 0.000 1.148 30 P CA 2.405 65.532 63.100 0.045 0.000 0.828 30 P CB -0.001 31.703 31.700 0.007 0.000 0.783 31 T N -5.927 108.617 114.554 -0.015 0.000 3.086 31 T HA 0.545 4.910 4.350 0.025 0.000 0.250 31 T C 0.951 175.602 174.700 -0.082 0.000 1.074 31 T CA 0.299 62.376 62.100 -0.039 0.000 0.988 31 T CB 0.269 69.141 68.868 0.006 0.000 0.988 31 T HN 0.246 nan 8.240 nan 0.000 0.530 32 G N 1.073 109.798 108.800 -0.125 0.000 2.272 32 G HA2 0.283 4.258 3.960 0.025 0.000 0.068 32 G HA3 0.283 4.258 3.960 0.025 0.000 0.068 32 G C -1.740 172.982 174.900 -0.297 0.000 1.073 32 G CA -0.966 44.016 45.100 -0.197 0.000 1.154 32 G HN 0.253 nan 8.290 nan 0.000 0.429 33 F N 1.960 121.948 119.950 0.063 0.000 2.507 33 F HA 0.674 5.216 4.527 0.025 0.000 0.325 33 F C 0.985 176.800 175.800 0.025 0.000 1.116 33 F CA 0.131 58.154 58.000 0.037 0.000 0.930 33 F CB 2.213 41.211 39.000 -0.003 0.000 1.146 33 F HN 0.706 nan 8.300 nan 0.000 0.447 34 G N 0.965 109.877 108.800 0.188 0.000 2.535 34 G HA2 0.109 4.084 3.960 0.025 0.000 0.282 34 G HA3 0.109 4.084 3.960 0.025 0.000 0.282 34 G C -1.699 173.328 174.900 0.211 0.000 1.350 34 G CA -0.405 44.808 45.100 0.188 0.000 1.039 34 G HN 0.672 nan 8.290 nan 0.000 0.509 35 W N 1.316 122.644 121.300 0.046 0.000 2.278 35 W HA 0.526 5.202 4.660 0.026 0.000 0.317 35 W C -0.898 175.650 176.519 0.048 0.000 1.030 35 W CA -1.033 56.328 57.345 0.027 0.000 1.334 35 W CB 0.269 29.763 29.460 0.057 0.000 1.215 35 W HN 0.189 nan 8.180 nan 0.000 0.405 36 L N 6.034 127.380 121.223 0.205 0.000 2.397 36 L HA 0.405 4.760 4.340 0.025 0.000 0.271 36 L C 1.259 178.338 176.870 0.348 0.000 1.148 36 L CA -0.127 54.835 54.840 0.203 0.000 0.825 36 L CB 0.343 42.437 42.059 0.060 0.000 1.117 36 L HN 0.443 nan 8.230 nan 0.000 0.456 37 G N 0.764 109.746 108.800 0.303 0.000 2.532 37 G HA2 0.086 4.061 3.960 0.025 0.000 0.291 37 G HA3 0.086 4.061 3.960 0.025 0.000 0.291 37 G C 0.597 175.695 174.900 0.329 0.000 1.349 37 G CA -0.501 44.791 45.100 0.320 0.000 1.038 37 G HN 0.648 nan 8.290 nan 0.000 0.518 38 N N -0.387 118.495 118.700 0.303 0.000 2.364 38 N HA -0.060 4.695 4.740 0.025 0.000 0.183 38 N C 1.480 177.139 175.510 0.250 0.000 1.022 38 N CA 0.697 53.924 53.050 0.296 0.000 0.883 38 N CB 0.176 38.893 38.487 0.383 0.000 0.965 38 N HN 0.254 nan 8.380 nan 0.000 0.438 39 K N -0.387 120.152 120.400 0.232 0.000 2.372 39 K HA 0.242 4.577 4.320 0.025 0.000 0.200 39 K C 0.805 177.502 176.600 0.162 0.000 1.022 39 K CA -0.000 56.399 56.287 0.187 0.000 1.125 39 K CB 0.167 32.747 32.500 0.133 0.000 0.855 39 K HN 0.156 nan 8.250 nan 0.000 0.524 40 G N 2.703 111.604 108.800 0.169 0.000 2.153 40 G HA2 -0.272 3.703 3.960 0.025 0.000 0.252 40 G HA3 -0.272 3.703 3.960 0.025 0.000 0.252 40 G C 0.069 174.859 174.900 -0.184 0.000 0.994 40 G CA 0.520 45.436 45.100 -0.307 0.000 0.698 40 G HN 0.417 nan 8.290 nan 0.000 0.521 41 Q N 0.548 120.341 119.800 -0.013 0.000 2.259 41 Q HA 0.575 4.930 4.340 0.025 0.000 0.246 41 Q C 0.292 176.319 176.000 0.045 0.000 0.920 41 Q CA -0.828 54.981 55.803 0.010 0.000 0.895 41 Q CB 1.224 29.990 28.738 0.047 0.000 1.220 41 Q HN 0.467 nan 8.270 nan 0.000 0.439 42 I N 2.200 122.792 120.570 0.037 0.000 2.533 42 I HA 0.047 4.232 4.170 0.025 0.000 0.284 42 I C 0.473 176.648 176.117 0.097 0.000 1.109 42 I CA 0.056 61.403 61.300 0.079 0.000 1.412 42 I CB 0.402 38.433 38.000 0.051 0.000 1.396 42 I HN 0.382 nan 8.210 nan 0.000 0.543 43 K N 6.665 127.153 120.400 0.147 0.000 2.184 43 K HA 0.143 4.478 4.320 0.025 0.000 0.259 43 K C 0.658 177.294 176.600 0.060 0.000 1.119 43 K CA -0.141 56.198 56.287 0.086 0.000 0.991 43 K CB 0.536 33.068 32.500 0.053 0.000 1.522 43 K HN 0.526 nan 8.250 nan 0.000 0.405 44 E N 1.827 122.054 120.200 0.044 0.000 2.130 44 E HA -0.252 4.113 4.350 0.025 0.000 0.196 44 E C 1.651 178.262 176.600 0.019 0.000 0.998 44 E CA 1.257 57.679 56.400 0.037 0.000 0.806 44 E CB 0.196 29.910 29.700 0.022 0.000 0.738 44 E HN 0.562 nan 8.360 nan 0.000 0.459 45 E N 0.833 121.027 120.200 -0.010 0.000 2.333 45 E HA -0.199 4.166 4.350 0.025 0.000 0.198 45 E C 1.587 178.162 176.600 -0.042 0.000 1.007 45 E CA 0.919 57.301 56.400 -0.030 0.000 0.845 45 E CB -0.060 29.613 29.700 -0.046 0.000 0.766 45 E HN 0.268 nan 8.360 nan 0.000 0.507 46 M N 0.540 120.111 119.600 -0.049 0.000 2.514 46 M HA 0.193 4.688 4.480 0.025 0.000 0.258 46 M C 1.354 177.768 176.300 0.190 0.000 1.119 46 M CA 0.916 56.209 55.300 -0.012 0.000 1.111 46 M CB -0.870 31.573 32.600 -0.263 0.000 1.390 46 M HN 0.231 nan 8.290 nan 0.000 0.475 47 G N 0.805 109.679 108.800 0.122 0.000 2.601 47 G HA2 -0.225 3.750 3.960 0.025 0.000 0.252 47 G HA3 -0.225 3.750 3.960 0.025 0.000 0.252 47 G C -0.363 174.644 174.900 0.178 0.000 1.294 47 G CA -0.093 45.063 45.100 0.093 0.000 0.912 47 G HN 0.319 nan 8.290 nan 0.000 0.574 48 T N 1.280 115.889 114.554 0.091 0.000 2.821 48 T HA 0.568 4.933 4.350 0.025 0.000 0.307 48 T C -0.190 174.556 174.700 0.078 0.000 1.034 48 T CA -0.180 61.994 62.100 0.123 0.000 0.953 48 T CB 0.702 69.616 68.868 0.077 0.000 0.968 48 T HN 0.636 nan 8.240 nan 0.000 0.462 49 H N 1.846 120.958 119.070 0.070 0.000 2.525 49 H HA 0.268 4.839 4.556 0.025 0.000 0.339 49 H C 1.067 176.390 175.328 -0.008 0.000 1.109 49 H CA -0.871 55.212 56.048 0.058 0.000 1.352 49 H CB 1.016 30.724 29.762 -0.090 0.000 1.461 49 H HN 0.338 nan 8.280 nan 0.000 0.533 50 L N 3.423 124.771 121.223 0.209 0.000 2.017 50 L HA -0.158 4.197 4.340 0.025 0.000 0.208 50 L C 1.966 178.881 176.870 0.074 0.000 1.073 50 L CA 1.486 56.398 54.840 0.121 0.000 0.745 50 L CB -0.586 41.562 42.059 0.147 0.000 0.894 50 L HN 0.820 nan 8.230 nan 0.000 0.432 51 W N -0.325 120.990 121.300 0.024 0.000 2.363 51 W HA -0.151 4.524 4.660 0.024 0.000 0.296 51 W C 2.086 178.457 176.519 -0.248 0.000 1.212 51 W CA 1.099 58.366 57.345 -0.130 0.000 1.260 51 W CB -1.425 27.981 29.460 -0.090 0.000 1.131 51 W HN 0.195 nan 8.180 nan 0.000 0.530 52 I N 1.508 121.615 120.570 -0.770 0.000 2.202 52 I HA -0.245 3.940 4.170 0.025 0.000 0.242 52 I C 2.605 178.519 176.117 -0.338 0.000 1.091 52 I CA 2.026 62.882 61.300 -0.739 0.000 1.368 52 I CB -0.961 36.550 38.000 -0.815 0.000 1.058 52 I HN -0.098 nan 8.210 nan 0.000 0.410 53 T N 0.955 115.427 114.554 -0.136 0.000 2.684 53 T HA -0.188 4.177 4.350 0.025 0.000 0.267 53 T C 2.044 176.710 174.700 -0.057 0.000 1.036 53 T CA 1.655 63.801 62.100 0.077 0.000 1.148 53 T CB -0.314 68.627 68.868 0.122 0.000 0.863 53 T HN 0.477 nan 8.240 nan 0.000 0.436 54 A N 1.507 124.249 122.820 -0.129 0.000 1.930 54 A HA -0.081 4.254 4.320 0.025 0.000 0.217 54 A C 2.372 179.870 177.584 -0.145 0.000 1.175 54 A CA 1.314 53.266 52.037 -0.141 0.000 0.627 54 A CB -0.460 18.457 19.000 -0.138 0.000 0.815 54 A HN 0.399 nan 8.150 nan 0.000 0.443 55 R N -1.237 119.106 120.500 -0.262 0.000 2.081 55 R HA -0.078 4.277 4.340 0.025 0.000 0.235 55 R C 2.137 178.319 176.300 -0.196 0.000 1.131 55 R CA 1.536 57.455 56.100 -0.302 0.000 0.960 55 R CB -0.318 29.652 30.300 -0.550 0.000 0.856 55 R HN 0.415 nan 8.270 nan 0.000 0.436 56 M N 0.258 119.641 119.600 -0.362 0.000 2.175 56 M HA -0.115 4.380 4.480 0.025 0.000 0.264 56 M C 2.243 178.342 176.300 -0.335 0.000 1.063 56 M CA 1.082 56.059 55.300 -0.539 0.000 1.119 56 M CB -0.883 30.887 32.600 -1.383 0.000 1.377 56 M HN 0.145 nan 8.290 nan 0.000 0.415 57 L N 0.126 121.216 121.223 -0.222 0.000 2.013 57 L HA -0.244 4.111 4.340 0.025 0.000 0.212 57 L C 2.546 179.402 176.870 -0.025 0.000 1.073 57 L CA 2.395 57.206 54.840 -0.048 0.000 0.753 57 L CB -1.224 40.818 42.059 -0.029 0.000 0.890 57 L HN 0.452 nan 8.230 nan 0.000 0.432 58 H N -1.529 117.479 119.070 -0.103 0.000 2.321 58 H HA -0.126 4.445 4.556 0.025 0.000 0.300 58 H C 2.028 177.305 175.328 -0.085 0.000 1.087 58 H CA 2.355 58.368 56.048 -0.058 0.000 1.319 58 H CB -0.414 29.346 29.762 -0.003 0.000 1.379 58 H HN 0.166 nan 8.280 nan 0.000 0.501 59 V N 0.154 119.915 119.914 -0.256 0.000 2.295 59 V HA -0.287 3.848 4.120 0.025 0.000 0.246 59 V C 1.940 177.671 176.094 -0.605 0.000 1.049 59 V CA 2.094 64.133 62.300 -0.436 0.000 1.024 59 V CB -0.754 30.807 31.823 -0.436 0.000 0.648 59 V HN 0.505 nan 8.190 nan 0.000 0.447 60 Y N 0.131 120.280 120.300 -0.252 0.000 2.516 60 Y HA -0.068 4.497 4.550 0.025 0.000 0.291 60 Y C 2.695 178.459 175.900 -0.227 0.000 1.131 60 Y CA 0.959 58.889 58.100 -0.283 0.000 1.281 60 Y CB -0.504 37.837 38.460 -0.199 0.000 1.013 60 Y HN 0.161 nan 8.280 nan 0.000 0.554 61 S N -0.544 115.090 115.700 -0.111 0.000 2.368 61 S HA -0.161 4.324 4.470 0.025 0.000 0.225 61 S C 2.251 176.779 174.600 -0.120 0.000 1.030 61 S CA 1.432 59.583 58.200 -0.081 0.000 0.999 61 S CB -0.615 62.538 63.200 -0.078 0.000 0.844 61 S HN 0.233 nan 8.310 nan 0.000 0.459 62 V N 2.060 121.842 119.914 -0.220 0.000 2.295 62 V HA -0.196 3.939 4.120 0.025 0.000 0.246 62 V C 2.665 178.669 176.094 -0.149 0.000 1.049 62 V CA 1.692 63.901 62.300 -0.153 0.000 1.024 62 V CB -1.244 30.489 31.823 -0.150 0.000 0.648 62 V HN 0.536 nan 8.190 nan 0.000 0.447 63 A N 0.042 122.606 122.820 -0.427 0.000 1.908 63 A HA -0.182 4.153 4.320 0.025 0.000 0.218 63 A C 2.430 179.873 177.584 -0.235 0.000 1.181 63 A CA 2.313 53.938 52.037 -0.686 0.000 0.627 63 A CB -0.829 17.332 19.000 -1.397 0.000 0.818 63 A HN 0.589 nan 8.150 nan 0.000 0.445 64 A N -0.626 122.125 122.820 -0.115 0.000 1.877 64 A HA -0.080 4.255 4.320 0.025 0.000 0.216 64 A C 2.419 180.012 177.584 0.014 0.000 1.186 64 A CA 2.073 54.118 52.037 0.013 0.000 0.620 64 A CB -0.923 18.152 19.000 0.125 0.000 0.822 64 A HN 0.466 nan 8.150 nan 0.000 0.443 65 S N -0.377 115.326 115.700 0.004 0.000 2.419 65 S HA -0.083 4.402 4.470 0.025 0.000 0.233 65 S C 1.683 176.294 174.600 0.019 0.000 1.016 65 S CA 1.504 59.713 58.200 0.014 0.000 0.974 65 S CB -0.362 62.846 63.200 0.014 0.000 0.786 65 S HN 0.576 nan 8.310 nan 0.000 0.492 66 M N 0.502 120.115 119.600 0.021 0.000 2.659 66 M HA 0.131 4.626 4.480 0.025 0.000 0.243 66 M C 1.328 177.653 176.300 0.041 0.000 1.111 66 M CA 0.396 55.727 55.300 0.052 0.000 1.070 66 M CB -0.094 32.577 32.600 0.118 0.000 1.525 66 M HN 0.434 nan 8.290 nan 0.000 0.517 67 G N 1.442 110.254 108.800 0.020 0.000 2.160 67 G HA2 -0.242 3.733 3.960 0.025 0.000 0.244 67 G HA3 -0.242 3.733 3.960 0.025 0.000 0.244 67 G C -0.336 174.575 174.900 0.020 0.000 1.022 67 G CA -0.237 44.872 45.100 0.015 0.000 0.741 67 G HN 0.337 nan 8.290 nan 0.000 0.508 68 R N 0.784 121.293 120.500 0.015 0.000 2.202 68 R HA 0.524 4.879 4.340 0.025 0.000 0.334 68 R C -2.126 174.184 176.300 0.016 0.000 1.036 68 R CA -1.896 54.218 56.100 0.022 0.000 0.878 68 R CB 0.487 30.796 30.300 0.015 0.000 1.067 68 R HN 0.150 nan 8.270 nan 0.000 0.457 69 P HA 0.079 nan 4.420 nan 0.000 0.265 69 P C 0.668 177.977 177.300 0.016 0.000 1.187 69 P CA 0.773 63.883 63.100 0.017 0.000 0.766 69 P CB 0.854 32.562 31.700 0.012 0.000 0.820 70 G N 1.964 110.777 108.800 0.023 0.000 2.299 70 G HA2 -0.346 3.629 3.960 0.025 0.000 0.237 70 G HA3 -0.346 3.629 3.960 0.025 0.000 0.237 70 G C 1.250 176.141 174.900 -0.015 0.000 1.027 70 G CA 0.583 45.682 45.100 -0.001 0.000 0.619 70 G HN 0.687 nan 8.290 nan 0.000 0.513 71 A N -0.309 122.517 122.820 0.011 0.000 1.902 71 A HA 0.154 4.489 4.320 0.025 0.000 0.217 71 A C 1.978 179.610 177.584 0.079 0.000 1.181 71 A CA 2.257 54.309 52.037 0.025 0.000 0.623 71 A CB -0.587 18.421 19.000 0.013 0.000 0.818 71 A HN 1.212 nan 8.150 nan 0.000 0.443 72 Y N 0.990 121.292 120.300 0.003 0.000 2.224 72 Y HA -0.214 4.351 4.550 0.025 0.000 0.289 72 Y C 1.849 177.788 175.900 0.064 0.000 1.146 72 Y CA 1.901 60.028 58.100 0.044 0.000 1.182 72 Y CB -0.150 38.333 38.460 0.038 0.000 0.983 72 Y HN 0.346 nan 8.280 nan 0.000 0.524 73 D N 0.002 120.462 120.400 0.099 0.000 2.149 73 D HA -0.186 4.469 4.640 0.025 0.000 0.198 73 D C 2.201 178.484 176.300 -0.029 0.000 0.990 73 D CA 1.406 55.417 54.000 0.018 0.000 0.839 73 D CB -0.276 40.532 40.800 0.013 0.000 0.948 73 D HN 0.401 nan 8.370 nan 0.000 0.460 74 L N -0.056 121.135 121.223 -0.052 0.000 2.156 74 L HA -0.096 4.259 4.340 0.025 0.000 0.208 74 L C 2.446 179.386 176.870 0.117 0.000 1.095 74 L CA 0.345 55.190 54.840 0.008 0.000 0.770 74 L CB -0.222 41.684 42.059 -0.254 0.000 0.914 74 L HN -0.052 nan 8.230 nan 0.000 0.439 75 V N 0.224 120.132 119.914 -0.010 0.000 2.295 75 V HA -0.339 3.796 4.120 0.025 0.000 0.246 75 V C 2.191 178.149 176.094 -0.227 0.000 1.049 75 V CA 2.292 64.528 62.300 -0.107 0.000 1.024 75 V CB -0.482 31.223 31.823 -0.196 0.000 0.648 75 V HN 0.481 nan 8.190 nan 0.000 0.447 76 D N -0.982 119.259 120.400 -0.265 0.000 2.104 76 D HA -0.257 4.398 4.640 0.025 0.000 0.194 76 D C 2.182 178.431 176.300 -0.085 0.000 0.994 76 D CA 1.622 55.515 54.000 -0.179 0.000 0.830 76 D CB -0.253 40.540 40.800 -0.012 0.000 0.959 76 D HN 0.582 nan 8.370 nan 0.000 0.452 77 H N -0.594 118.410 119.070 -0.110 0.000 2.319 77 H HA -0.114 4.457 4.556 0.025 0.000 0.299 77 H C 2.037 177.312 175.328 -0.088 0.000 1.092 77 H CA 1.864 57.839 56.048 -0.122 0.000 1.302 77 H CB -0.387 29.259 29.762 -0.194 0.000 1.373 77 H HN 0.312 nan 8.280 nan 0.000 0.497 78 G N 0.931 109.754 108.800 0.039 0.000 2.421 78 G HA2 -0.201 3.774 3.960 0.025 0.000 0.216 78 G HA3 -0.201 3.774 3.960 0.025 0.000 0.216 78 G C 1.981 176.830 174.900 -0.084 0.000 1.171 78 G CA 0.912 46.066 45.100 0.090 0.000 0.775 78 G HN 0.403 nan 8.290 nan 0.000 0.543 79 I N 0.302 120.776 120.570 -0.160 0.000 2.179 79 I HA -0.161 4.024 4.170 0.025 0.000 0.242 79 I C 2.831 178.876 176.117 -0.119 0.000 1.088 79 I CA 1.253 62.445 61.300 -0.180 0.000 1.357 79 I CB -0.183 37.600 38.000 -0.363 0.000 1.051 79 I HN 0.120 nan 8.210 nan 0.000 0.409 80 K N 0.872 121.185 120.400 -0.146 0.000 2.063 80 K HA -0.176 4.159 4.320 0.025 0.000 0.208 80 K C 2.265 178.789 176.600 -0.128 0.000 1.048 80 K CA 1.592 57.807 56.287 -0.120 0.000 0.928 80 K CB -0.294 32.129 32.500 -0.129 0.000 0.713 80 K HN 0.325 nan 8.250 nan 0.000 0.442 81 A N 1.081 123.773 122.820 -0.215 0.000 1.902 81 A HA -0.156 4.179 4.320 0.025 0.000 0.217 81 A C 2.020 179.602 177.584 -0.004 0.000 1.181 81 A CA 1.425 53.366 52.037 -0.161 0.000 0.623 81 A CB -0.321 18.537 19.000 -0.236 0.000 0.818 81 A HN 0.148 nan 8.150 nan 0.000 0.443 82 M N 0.120 119.726 119.600 0.009 0.000 2.476 82 M HA 0.008 4.503 4.480 0.025 0.000 0.262 82 M C 0.570 177.068 176.300 0.331 0.000 1.079 82 M CA 0.797 56.185 55.300 0.147 0.000 1.104 82 M CB -1.120 31.481 32.600 0.001 0.000 1.409 82 M HN 0.342 nan 8.290 nan 0.000 0.467 83 N N 0.127 118.907 118.700 0.133 0.000 2.230 83 N HA 0.172 4.927 4.740 0.025 0.000 0.202 83 N C 1.035 176.564 175.510 0.031 0.000 1.119 83 N CA 0.255 53.347 53.050 0.071 0.000 0.851 83 N CB 0.928 39.425 38.487 0.016 0.000 0.990 83 N HN 0.326 nan 8.380 nan 0.000 0.497 84 G N 0.017 108.849 108.800 0.054 0.000 3.310 84 G HA2 0.462 4.437 3.960 0.025 0.000 0.176 84 G HA3 0.462 4.437 3.960 0.025 0.000 0.176 84 G C 0.966 175.912 174.900 0.076 0.000 1.307 84 G CA 0.378 45.497 45.100 0.032 0.000 0.935 84 G HN 0.087 nan 8.290 nan 0.000 0.628 85 A N -0.582 122.286 122.820 0.081 0.000 1.978 85 A HA 0.061 4.396 4.320 0.025 0.000 0.220 85 A C 2.399 180.137 177.584 0.257 0.000 1.170 85 A CA 1.301 53.418 52.037 0.134 0.000 0.636 85 A CB -0.552 18.499 19.000 0.085 0.000 0.810 85 A HN 0.362 nan 8.150 nan 0.000 0.448 86 L N -1.150 120.224 121.223 0.252 0.000 2.275 86 L HA -0.039 4.316 4.340 0.025 0.000 0.215 86 L C 1.567 178.629 176.870 0.320 0.000 1.119 86 L CA 0.360 55.421 54.840 0.369 0.000 0.790 86 L CB -0.198 42.061 42.059 0.333 0.000 0.919 86 L HN 0.321 nan 8.230 nan 0.000 0.443 87 R N 1.028 121.624 120.500 0.159 0.000 2.347 87 R HA -0.004 4.351 4.340 0.025 0.000 0.304 87 R C -0.256 175.819 176.300 -0.375 0.000 1.072 87 R CA -0.284 55.675 56.100 -0.235 0.000 0.980 87 R CB 0.389 30.579 30.300 -0.184 0.000 0.986 87 R HN -0.111 nan 8.270 nan 0.000 0.448 88 D N 4.237 124.233 120.400 -0.675 0.000 2.374 88 D HA 0.016 4.671 4.640 0.025 0.000 0.240 88 D C 0.063 176.215 176.300 -0.247 0.000 1.229 88 D CA 0.001 53.638 54.000 -0.606 0.000 0.895 88 D CB 0.941 41.351 40.800 -0.649 0.000 1.046 88 D HN 0.473 nan 8.370 nan 0.000 0.498 89 K N 3.318 123.636 120.400 -0.136 0.000 2.486 89 K HA -0.066 4.269 4.320 0.025 0.000 0.194 89 K C 1.390 177.915 176.600 -0.125 0.000 1.033 89 K CA 0.240 56.454 56.287 -0.121 0.000 1.004 89 K CB 0.720 33.173 32.500 -0.079 0.000 0.798 89 K HN 0.390 nan 8.250 nan 0.000 0.495 90 K N -0.078 120.221 120.400 -0.168 0.000 2.190 90 K HA 0.012 4.347 4.320 0.025 0.000 0.202 90 K C 0.959 177.344 176.600 -0.357 0.000 1.045 90 K CA 0.538 56.622 56.287 -0.338 0.000 0.976 90 K CB 0.275 32.437 32.500 -0.562 0.000 0.849 90 K HN -0.027 nan 8.250 nan 0.000 0.468 91 Y N 0.039 120.362 120.300 0.038 0.000 2.442 91 Y HA 0.324 4.889 4.550 0.025 0.000 0.250 91 Y C 0.753 176.750 175.900 0.161 0.000 1.113 91 Y CA 0.217 58.376 58.100 0.098 0.000 1.273 91 Y CB 1.026 39.540 38.460 0.091 0.000 1.138 91 Y HN 0.316 nan 8.280 nan 0.000 0.522 92 G N -0.248 108.661 108.800 0.181 0.000 2.756 92 G HA2 0.321 4.296 3.960 0.025 0.000 0.678 92 G HA3 0.321 4.296 3.960 0.025 0.000 0.678 92 G C 0.258 175.259 174.900 0.169 0.000 1.349 92 G CA -0.503 44.698 45.100 0.168 0.000 0.847 92 G HN 1.092 nan 8.290 nan 0.000 0.548 93 G N -1.025 107.766 108.800 -0.015 0.000 2.645 93 G HA2 0.043 4.018 3.960 0.025 0.000 0.246 93 G HA3 0.043 4.018 3.960 0.025 0.000 0.246 93 G C 0.115 174.749 174.900 -0.443 0.000 1.322 93 G CA 0.536 45.626 45.100 -0.017 0.000 0.898 93 G HN 1.767 nan 8.290 nan 0.000 0.573 94 W N -0.764 120.678 121.300 0.236 0.000 2.785 94 W HA 0.540 5.215 4.660 0.026 0.000 0.333 94 W C -0.521 176.006 176.519 0.014 0.000 1.062 94 W CA -1.062 56.249 57.345 -0.056 0.000 1.233 94 W CB 1.344 30.718 29.460 -0.142 0.000 1.413 94 W HN 0.493 nan 8.180 nan 0.000 0.489 95 Y N 0.979 121.459 120.300 0.301 0.000 2.578 95 Y HA 0.084 4.649 4.550 0.025 0.000 0.339 95 Y C 1.423 177.455 175.900 0.219 0.000 1.231 95 Y CA 0.590 58.818 58.100 0.214 0.000 1.461 95 Y CB 0.154 38.697 38.460 0.140 0.000 1.323 95 Y HN 0.553 nan 8.280 nan 0.000 0.590 96 A N 1.083 124.115 122.820 0.355 0.000 1.968 96 A HA 0.037 4.372 4.320 0.025 0.000 0.217 96 A C 0.637 178.340 177.584 0.198 0.000 1.169 96 A CA 1.239 53.445 52.037 0.282 0.000 0.638 96 A CB -0.197 18.952 19.000 0.249 0.000 0.812 96 A HN 0.695 nan 8.150 nan 0.000 0.446 97 C N -0.582 118.791 119.300 0.122 0.000 2.811 97 C HA 0.590 5.065 4.460 0.025 0.000 0.352 97 C C -0.742 174.248 174.990 -0.001 0.000 1.098 97 C CA -0.244 58.754 59.018 -0.034 0.000 1.295 97 C CB 0.761 28.361 27.740 -0.233 0.000 1.758 97 C HN 0.936 nan 8.230 nan 0.000 0.488 98 V N 3.886 123.802 119.914 0.005 0.000 3.141 98 V HA 0.916 5.051 4.120 0.025 0.000 0.312 98 V C -0.868 175.223 176.094 -0.005 0.000 1.157 98 V CA -0.470 61.830 62.300 0.001 0.000 1.041 98 V CB 2.135 33.993 31.823 0.059 0.000 1.071 98 V HN 1.096 nan 8.190 nan 0.000 0.441 99 N N -1.103 117.590 118.700 -0.010 0.000 3.229 99 N HA 0.435 5.190 4.740 0.025 0.000 0.315 99 N C 0.078 175.587 175.510 -0.002 0.000 1.520 99 N CA -0.378 52.671 53.050 -0.001 0.000 0.769 99 N CB 0.342 38.826 38.487 -0.006 0.000 1.766 99 N HN 0.496 nan 8.380 nan 0.000 0.618 100 D N -0.847 119.552 120.400 -0.001 0.000 2.309 100 D HA -0.074 4.581 4.640 0.025 0.000 0.212 100 D C 0.674 176.970 176.300 -0.008 0.000 0.968 100 D CA 1.269 55.267 54.000 -0.003 0.000 0.882 100 D CB 0.146 40.944 40.800 -0.003 0.000 0.918 100 D HN 0.497 nan 8.370 nan 0.000 0.503 101 Q N -0.838 118.954 119.800 -0.013 0.000 2.378 101 Q HA 0.329 4.684 4.340 0.025 0.000 0.216 101 Q C 0.813 176.797 176.000 -0.028 0.000 0.892 101 Q CA 0.318 56.110 55.803 -0.018 0.000 0.931 101 Q CB 1.473 30.200 28.738 -0.019 0.000 1.086 101 Q HN 0.231 nan 8.270 nan 0.000 0.528 102 G N -1.324 107.454 108.800 -0.037 0.000 2.356 102 G HA2 0.064 4.038 3.960 0.025 0.000 0.266 102 G HA3 0.064 4.038 3.960 0.025 0.000 0.266 102 G C -1.651 173.188 174.900 -0.102 0.000 1.312 102 G CA -0.672 44.389 45.100 -0.065 0.000 0.922 102 G HN -0.138 nan 8.290 nan 0.000 0.480 103 V N 1.147 120.949 119.914 -0.186 0.000 2.461 103 V HA 0.411 4.546 4.120 0.025 0.000 0.275 103 V C 1.273 177.267 176.094 -0.168 0.000 1.047 103 V CA -0.135 61.997 62.300 -0.279 0.000 0.955 103 V CB 1.049 32.495 31.823 -0.628 0.000 0.988 103 V HN 0.699 nan 8.190 nan 0.000 0.471 104 V N 2.215 122.061 119.914 -0.114 0.000 2.581 104 V HA 0.144 4.279 4.120 0.025 0.000 0.240 104 V C 0.485 176.551 176.094 -0.047 0.000 1.054 104 V CA 1.041 63.299 62.300 -0.070 0.000 1.076 104 V CB 0.131 31.917 31.823 -0.061 0.000 0.748 104 V HN 0.954 nan 8.190 nan 0.000 0.474 105 D N -0.478 119.906 120.400 -0.027 0.000 2.542 105 D HA 0.514 5.169 4.640 0.025 0.000 0.252 105 D C 0.297 176.643 176.300 0.075 0.000 1.222 105 D CA 0.112 54.128 54.000 0.026 0.000 0.895 105 D CB 1.844 42.678 40.800 0.057 0.000 1.207 105 D HN 0.120 nan 8.370 nan 0.000 0.558 106 A N 2.814 125.672 122.820 0.064 0.000 2.275 106 A HA 0.204 4.539 4.320 0.025 0.000 0.212 106 A C 1.020 178.737 177.584 0.222 0.000 1.201 106 A CA 0.134 52.275 52.037 0.173 0.000 0.843 106 A CB -0.339 18.704 19.000 0.071 0.000 0.873 106 A HN 0.538 nan 8.150 nan 0.000 0.492 107 S N 0.392 116.181 115.700 0.148 0.000 2.584 107 S HA 0.325 4.810 4.470 0.025 0.000 0.270 107 S C -0.205 174.505 174.600 0.183 0.000 1.346 107 S CA -0.226 58.045 58.200 0.118 0.000 1.018 107 S CB 0.607 63.873 63.200 0.110 0.000 0.899 107 S HN 0.169 nan 8.310 nan 0.000 0.542 108 K N 2.447 122.936 120.400 0.149 0.000 2.414 108 K HA 0.300 4.635 4.320 0.025 0.000 0.251 108 K C -0.666 176.205 176.600 0.451 0.000 1.037 108 K CA -0.364 56.093 56.287 0.284 0.000 0.980 108 K CB 1.142 33.572 32.500 -0.115 0.000 1.280 108 K HN 0.611 nan 8.250 nan 0.000 0.451 109 Q N 0.952 121.026 119.800 0.456 0.000 2.331 109 Q HA 0.213 4.568 4.340 0.025 0.000 0.257 109 Q C 1.263 177.403 176.000 0.234 0.000 0.957 109 Q CA -0.187 55.832 55.803 0.359 0.000 0.923 109 Q CB 1.634 30.534 28.738 0.270 0.000 1.212 109 Q HN 0.770 nan 8.270 nan 0.000 0.443 110 G N 2.045 110.934 108.800 0.148 0.000 2.446 110 G HA2 -0.336 3.639 3.960 0.025 0.000 0.217 110 G HA3 -0.336 3.639 3.960 0.025 0.000 0.217 110 G C 1.159 176.052 174.900 -0.012 0.000 1.168 110 G CA 0.682 45.585 45.100 -0.328 0.000 0.771 110 G HN 0.708 nan 8.290 nan 0.000 0.551 111 Y N 1.376 121.788 120.300 0.186 0.000 2.102 111 Y HA -0.284 4.282 4.550 0.025 0.000 0.280 111 Y C 3.096 179.125 175.900 0.216 0.000 1.178 111 Y CA 2.615 60.866 58.100 0.251 0.000 1.146 111 Y CB -0.061 38.475 38.460 0.128 0.000 0.968 111 Y HN 0.314 nan 8.280 nan 0.000 0.504 112 Q N -1.580 118.429 119.800 0.348 0.000 2.187 112 Q HA -0.170 4.185 4.340 0.025 0.000 0.199 112 Q C 1.993 178.019 176.000 0.042 0.000 0.957 112 Q CA 1.163 57.139 55.803 0.287 0.000 0.857 112 Q CB -0.306 28.614 28.738 0.303 0.000 0.929 112 Q HN 0.707 nan 8.270 nan 0.000 0.453 113 H N -0.572 118.374 119.070 -0.206 0.000 2.423 113 H HA -0.071 4.500 4.556 0.025 0.000 0.297 113 H C 1.688 176.756 175.328 -0.434 0.000 1.075 113 H CA 0.943 56.768 56.048 -0.371 0.000 1.342 113 H CB 0.122 29.469 29.762 -0.693 0.000 1.395 113 H HN 0.226 nan 8.280 nan 0.000 0.530 114 F N -0.117 119.760 119.950 -0.121 0.000 2.234 114 F HA -0.116 4.426 4.527 0.025 0.000 0.299 114 F C 2.187 177.729 175.800 -0.429 0.000 1.087 114 F CA 0.632 58.475 58.000 -0.261 0.000 1.340 114 F CB -0.723 38.063 39.000 -0.355 0.000 1.031 114 F HN 0.021 nan 8.300 nan 0.000 0.500 115 F N 0.154 120.003 119.950 -0.168 0.000 2.186 115 F HA -0.106 4.435 4.527 0.024 0.000 0.299 115 F C 2.481 178.117 175.800 -0.272 0.000 1.090 115 F CA 0.959 58.797 58.000 -0.270 0.000 1.307 115 F CB -1.181 37.634 39.000 -0.308 0.000 1.019 115 F HN -0.059 nan 8.300 nan 0.000 0.489 116 A N -0.171 122.541 122.820 -0.180 0.000 1.908 116 A HA -0.206 4.129 4.320 0.025 0.000 0.218 116 A C 2.142 179.557 177.584 -0.281 0.000 1.181 116 A CA 1.734 53.525 52.037 -0.409 0.000 0.627 116 A CB -1.103 17.398 19.000 -0.832 0.000 0.818 116 A HN 0.345 nan 8.150 nan 0.000 0.445 117 L N -0.877 120.243 121.223 -0.173 0.000 2.027 117 L HA -0.101 4.254 4.340 0.025 0.000 0.206 117 L C 2.287 179.094 176.870 -0.104 0.000 1.074 117 L CA 2.029 56.816 54.840 -0.088 0.000 0.745 117 L CB -0.618 41.465 42.059 0.040 0.000 0.898 117 L HN 0.386 nan 8.230 nan 0.000 0.433 118 L N -0.233 120.911 121.223 -0.132 0.000 2.012 118 L HA -0.065 4.290 4.340 0.025 0.000 0.210 118 L C 2.329 179.167 176.870 -0.053 0.000 1.073 118 L CA 2.256 57.018 54.840 -0.130 0.000 0.748 118 L CB -1.510 40.402 42.059 -0.245 0.000 0.891 118 L HN 0.301 nan 8.230 nan 0.000 0.431 119 G N -1.142 107.625 108.800 -0.055 0.000 2.446 119 G HA2 -0.272 3.703 3.960 0.025 0.000 0.217 119 G HA3 -0.272 3.703 3.960 0.025 0.000 0.217 119 G C 1.597 176.474 174.900 -0.038 0.000 1.168 119 G CA 0.986 46.076 45.100 -0.016 0.000 0.771 119 G HN 0.684 nan 8.290 nan 0.000 0.551 120 A N 1.165 123.937 122.820 -0.079 0.000 1.877 120 A HA 0.260 4.595 4.320 0.025 0.000 0.216 120 A C 2.839 180.398 177.584 -0.042 0.000 1.186 120 A CA 2.372 54.374 52.037 -0.059 0.000 0.620 120 A CB -0.863 18.108 19.000 -0.048 0.000 0.822 120 A HN 0.820 nan 8.150 nan 0.000 0.443 121 A N -0.597 122.190 122.820 -0.056 0.000 1.902 121 A HA -0.070 4.265 4.320 0.025 0.000 0.217 121 A C 2.447 180.021 177.584 -0.017 0.000 1.181 121 A CA 2.093 54.094 52.037 -0.061 0.000 0.623 121 A CB -0.903 18.038 19.000 -0.099 0.000 0.818 121 A HN 0.454 nan 8.150 nan 0.000 0.443 122 S N -0.081 115.638 115.700 0.031 0.000 2.368 122 S HA -0.053 4.432 4.470 0.025 0.000 0.225 122 S C 2.277 176.888 174.600 0.019 0.000 1.030 122 S CA 1.166 59.404 58.200 0.063 0.000 0.999 122 S CB -0.465 62.852 63.200 0.194 0.000 0.844 122 S HN 0.803 nan 8.310 nan 0.000 0.459 123 A N 1.076 123.898 122.820 0.003 0.000 1.972 123 A HA -0.040 4.295 4.320 0.025 0.000 0.219 123 A C 2.289 179.886 177.584 0.022 0.000 1.169 123 A CA 1.276 53.307 52.037 -0.009 0.000 0.635 123 A CB -0.859 18.107 19.000 -0.057 0.000 0.810 123 A HN 0.338 nan 8.150 nan 0.000 0.446 124 V N 0.783 120.705 119.914 0.012 0.000 2.392 124 V HA -0.271 3.864 4.120 0.025 0.000 0.249 124 V C 2.985 179.096 176.094 0.027 0.000 1.059 124 V CA 2.466 64.778 62.300 0.020 0.000 1.051 124 V CB -1.355 30.461 31.823 -0.012 0.000 0.658 124 V HN 0.873 nan 8.190 nan 0.000 0.455 125 T N -1.770 112.794 114.554 0.017 0.000 2.977 125 T HA -0.172 4.193 4.350 0.025 0.000 0.271 125 T C 1.680 176.407 174.700 0.045 0.000 1.105 125 T CA 1.684 63.795 62.100 0.018 0.000 1.116 125 T CB -0.628 68.245 68.868 0.009 0.000 0.878 125 T HN 0.660 nan 8.240 nan 0.000 0.509 126 T N -2.318 112.285 114.554 0.081 0.000 3.088 126 T HA 0.379 4.744 4.350 0.025 0.000 0.259 126 T C 2.019 176.819 174.700 0.167 0.000 1.122 126 T CA 0.714 62.899 62.100 0.143 0.000 1.095 126 T CB -0.693 68.316 68.868 0.236 0.000 0.930 126 T HN 0.975 nan 8.240 nan 0.000 0.508 127 G N 1.263 110.145 108.800 0.137 0.000 2.162 127 G HA2 -0.302 3.673 3.960 0.025 0.000 0.260 127 G HA3 -0.302 3.673 3.960 0.025 0.000 0.260 127 G C 0.027 175.039 174.900 0.185 0.000 0.976 127 G CA 0.255 45.426 45.100 0.119 0.000 0.655 127 G HN 0.922 nan 8.290 nan 0.000 0.533 128 H N 2.264 121.447 119.070 0.188 0.000 3.125 128 H HA 0.090 4.661 4.556 0.024 0.000 0.310 128 H C -0.411 174.980 175.328 0.105 0.000 0.980 128 H CA -0.053 56.115 56.048 0.200 0.000 1.422 128 H CB 1.223 31.011 29.762 0.043 0.000 1.432 128 H HN 0.195 nan 8.280 nan 0.000 0.577 129 P HA -0.132 nan 4.420 nan 0.000 0.223 129 P C 0.484 177.879 177.300 0.158 0.000 1.144 129 P CA 1.074 64.204 63.100 0.050 0.000 0.783 129 P CB 0.508 32.182 31.700 -0.043 0.000 0.771 130 E N -1.227 119.194 120.200 0.369 0.000 2.498 130 E HA 0.213 4.578 4.350 0.025 0.000 0.203 130 E C 1.840 178.528 176.600 0.146 0.000 1.013 130 E CA 0.148 56.686 56.400 0.230 0.000 0.927 130 E CB -0.191 29.640 29.700 0.219 0.000 1.012 130 E HN 0.174 nan 8.360 nan 0.000 0.482 131 A N 1.489 124.407 122.820 0.162 0.000 1.873 131 A HA -0.168 4.167 4.320 0.025 0.000 0.215 131 A C 2.244 179.863 177.584 0.058 0.000 1.186 131 A CA 1.636 53.709 52.037 0.061 0.000 0.616 131 A CB -0.248 18.790 19.000 0.064 0.000 0.823 131 A HN 0.086 nan 8.150 nan 0.000 0.442 132 R N 0.431 120.972 120.500 0.068 0.000 2.081 132 R HA -0.098 4.257 4.340 0.025 0.000 0.235 132 R C 1.912 178.254 176.300 0.070 0.000 1.131 132 R CA 2.173 58.304 56.100 0.052 0.000 0.960 132 R CB -0.475 29.851 30.300 0.044 0.000 0.856 132 R HN 0.556 nan 8.270 nan 0.000 0.436 133 K N -0.218 120.231 120.400 0.082 0.000 2.097 133 K HA -0.139 4.196 4.320 0.025 0.000 0.206 133 K C 1.913 178.598 176.600 0.141 0.000 1.049 133 K CA 1.410 57.756 56.287 0.098 0.000 0.933 133 K CB -0.325 32.224 32.500 0.080 0.000 0.717 133 K HN 0.107 nan 8.250 nan 0.000 0.442 134 L N 1.141 122.442 121.223 0.130 0.000 2.056 134 L HA -0.117 4.238 4.340 0.025 0.000 0.207 134 L C 2.018 179.012 176.870 0.207 0.000 1.078 134 L CA 1.350 56.302 54.840 0.186 0.000 0.749 134 L CB -0.517 41.609 42.059 0.112 0.000 0.901 134 L HN 0.097 nan 8.230 nan 0.000 0.433 135 L N -0.384 120.905 121.223 0.110 0.000 2.046 135 L HA -0.190 4.165 4.340 0.025 0.000 0.208 135 L C 2.052 178.979 176.870 0.094 0.000 1.077 135 L CA 1.857 56.736 54.840 0.065 0.000 0.747 135 L CB -1.055 41.002 42.059 -0.003 0.000 0.896 135 L HN 0.306 nan 8.230 nan 0.000 0.432 136 D N -1.367 119.101 120.400 0.114 0.000 2.104 136 D HA -0.276 4.379 4.640 0.025 0.000 0.194 136 D C 2.021 178.421 176.300 0.168 0.000 0.994 136 D CA 1.822 55.897 54.000 0.125 0.000 0.830 136 D CB -0.383 40.488 40.800 0.118 0.000 0.959 136 D HN 0.507 nan 8.370 nan 0.000 0.452 137 Y N 1.656 122.027 120.300 0.118 0.000 2.200 137 Y HA -0.205 4.360 4.550 0.025 0.000 0.290 137 Y C 2.326 178.359 175.900 0.223 0.000 1.137 137 Y CA 1.821 60.004 58.100 0.138 0.000 1.163 137 Y CB -0.539 38.000 38.460 0.132 0.000 0.988 137 Y HN -0.103 nan 8.280 nan 0.000 0.518 138 T N 1.177 115.875 114.554 0.241 0.000 2.746 138 T HA -0.202 4.163 4.350 0.025 0.000 0.267 138 T C 2.026 176.807 174.700 0.136 0.000 1.039 138 T CA 1.965 64.231 62.100 0.278 0.000 1.142 138 T CB -0.485 68.533 68.868 0.251 0.000 0.866 138 T HN 0.362 nan 8.240 nan 0.000 0.444 139 I N 1.009 121.641 120.570 0.102 0.000 2.208 139 I HA -0.190 3.995 4.170 0.025 0.000 0.245 139 I C 2.662 178.859 176.117 0.134 0.000 1.097 139 I CA 1.427 62.823 61.300 0.160 0.000 1.363 139 I CB -0.372 37.733 38.000 0.175 0.000 1.051 139 I HN 0.339 nan 8.210 nan 0.000 0.413 140 E N 0.148 120.354 120.200 0.011 0.000 2.085 140 E HA -0.199 4.166 4.350 0.025 0.000 0.194 140 E C 2.304 178.823 176.600 -0.135 0.000 0.994 140 E CA 1.478 57.834 56.400 -0.072 0.000 0.801 140 E CB -0.103 29.521 29.700 -0.127 0.000 0.743 140 E HN 0.316 nan 8.360 nan 0.000 0.453 141 V N 1.605 121.409 119.914 -0.183 0.000 2.358 141 V HA -0.240 3.895 4.120 0.025 0.000 0.246 141 V C 2.257 178.445 176.094 0.157 0.000 1.047 141 V CA 1.153 63.410 62.300 -0.071 0.000 1.035 141 V CB -0.346 31.491 31.823 0.024 0.000 0.658 141 V HN 0.276 nan 8.190 nan 0.000 0.452 142 I N 0.217 120.957 120.570 0.283 0.000 2.179 142 I HA -0.214 3.971 4.170 0.025 0.000 0.242 142 I C 2.547 178.905 176.117 0.402 0.000 1.088 142 I CA 1.737 63.309 61.300 0.453 0.000 1.357 142 I CB -1.193 37.108 38.000 0.502 0.000 1.051 142 I HN 0.465 nan 8.210 nan 0.000 0.409 143 E N 0.360 120.715 120.200 0.260 0.000 2.150 143 E HA -0.230 4.135 4.350 0.025 0.000 0.193 143 E C 2.156 178.769 176.600 0.021 0.000 0.985 143 E CA 0.833 57.351 56.400 0.196 0.000 0.814 143 E CB -0.012 29.756 29.700 0.113 0.000 0.752 143 E HN 0.409 nan 8.360 nan 0.000 0.466 144 K N -0.166 120.111 120.400 -0.205 0.000 2.062 144 K HA -0.125 4.210 4.320 0.025 0.000 0.205 144 K C 1.017 177.166 176.600 -0.751 0.000 1.051 144 K CA 1.259 57.183 56.287 -0.605 0.000 0.941 144 K CB 0.175 32.068 32.500 -1.012 0.000 0.719 144 K HN 0.096 nan 8.250 nan 0.000 0.440 145 Y N -2.587 117.509 120.300 -0.341 0.000 2.423 145 Y HA 0.210 4.775 4.550 0.025 0.000 0.257 145 Y C 0.865 176.540 175.900 -0.376 0.000 1.087 145 Y CA -0.318 57.396 58.100 -0.644 0.000 1.258 145 Y CB 0.697 38.251 38.460 -1.509 0.000 1.237 145 Y HN -0.040 nan 8.280 nan 0.000 0.517 146 F N -2.590 117.589 119.950 0.381 0.000 2.778 146 F HA 0.182 4.724 4.527 0.025 0.000 0.314 146 F C 0.592 176.784 175.800 0.653 0.000 1.073 146 F CA -0.619 57.677 58.000 0.494 0.000 1.218 146 F CB 0.338 39.499 39.000 0.268 0.000 1.037 146 F HN -0.047 nan 8.300 nan 0.000 0.594 147 W N 2.346 123.972 121.300 0.544 0.000 2.335 147 W HA 0.474 5.150 4.660 0.026 0.000 0.307 147 W C -0.354 176.327 176.519 0.270 0.000 1.117 147 W CA -0.708 56.902 57.345 0.442 0.000 1.228 147 W CB 1.451 31.137 29.460 0.377 0.000 1.240 147 W HN -0.230 nan 8.180 nan 0.000 0.468 148 S N 4.333 119.731 115.700 -0.503 0.000 2.410 148 S HA 0.046 4.531 4.470 0.025 0.000 0.304 148 S C 0.829 175.012 174.600 -0.696 0.000 1.095 148 S CA -0.174 57.779 58.200 -0.412 0.000 1.089 148 S CB 1.278 64.364 63.200 -0.189 0.000 0.968 148 S HN 0.624 nan 8.310 nan 0.000 0.480 149 E N 3.208 123.205 120.200 -0.339 0.000 2.110 149 E HA -0.101 4.264 4.350 0.025 0.000 0.193 149 E C 1.749 178.260 176.600 -0.149 0.000 0.988 149 E CA 1.218 57.519 56.400 -0.165 0.000 0.804 149 E CB 0.054 29.754 29.700 0.000 0.000 0.745 149 E HN 0.715 nan 8.360 nan 0.000 0.458 150 E N 0.435 120.557 120.200 -0.129 0.000 2.028 150 E HA -0.165 4.200 4.350 0.025 0.000 0.191 150 E C 1.707 178.240 176.600 -0.113 0.000 0.988 150 E CA 1.131 57.480 56.400 -0.085 0.000 0.799 150 E CB 0.022 29.694 29.700 -0.045 0.000 0.755 150 E HN 0.404 nan 8.360 nan 0.000 0.447 151 E N 0.238 120.346 120.200 -0.153 0.000 2.358 151 E HA -0.055 4.310 4.350 0.025 0.000 0.195 151 E C -0.002 176.412 176.600 -0.310 0.000 1.010 151 E CA -0.024 56.281 56.400 -0.159 0.000 0.856 151 E CB 0.205 29.896 29.700 -0.015 0.000 0.795 151 E HN 0.104 nan 8.360 nan 0.000 0.504 152 Q N -0.206 119.333 119.800 -0.435 0.000 2.435 152 Q HA -0.212 4.143 4.340 0.025 0.000 0.312 152 Q C -0.459 175.182 176.000 -0.599 0.000 1.333 152 Q CA 1.015 56.525 55.803 -0.489 0.000 0.883 152 Q CB -1.032 27.647 28.738 -0.099 0.000 1.170 152 Q HN 0.290 nan 8.270 nan 0.000 0.443 153 M N -1.609 117.474 119.600 -0.860 0.000 2.880 153 M HA 0.310 4.805 4.480 0.025 0.000 0.269 153 M C -0.450 175.746 176.300 -0.174 0.000 1.248 153 M CA -0.640 54.409 55.300 -0.418 0.000 0.821 153 M CB 1.524 33.805 32.600 -0.532 0.000 1.650 153 M HN 0.112 nan 8.290 nan 0.000 0.479 154 C N 2.026 121.505 119.300 0.297 0.000 2.388 154 C HA 0.626 5.101 4.460 0.025 0.000 0.362 154 C C 0.803 176.122 174.990 0.549 0.000 1.266 154 C CA -0.789 58.557 59.018 0.547 0.000 2.028 154 C CB -0.236 27.864 27.740 0.600 0.000 2.440 154 C HN 0.612 nan 8.230 nan 0.000 0.547 155 L N 1.999 123.548 121.223 0.544 0.000 2.476 155 L HA 0.170 4.525 4.340 0.025 0.000 0.255 155 L C 1.430 178.632 176.870 0.553 0.000 1.218 155 L CA 0.078 55.175 54.840 0.429 0.000 0.819 155 L CB 0.348 42.617 42.059 0.351 0.000 1.119 155 L HN 0.744 nan 8.230 nan 0.000 0.485 156 E N 0.352 120.782 120.200 0.384 0.000 2.094 156 E HA 0.021 4.386 4.350 0.025 0.000 0.193 156 E C 0.003 176.905 176.600 0.503 0.000 0.950 156 E CA 0.666 57.334 56.400 0.446 0.000 0.842 156 E CB 0.507 30.452 29.700 0.407 0.000 0.816 156 E HN 0.653 nan 8.360 nan 0.000 0.465 157 S N -2.336 113.567 115.700 0.338 0.000 2.587 157 S HA 0.617 5.102 4.470 0.025 0.000 0.269 157 S C -1.678 172.985 174.600 0.104 0.000 1.154 157 S CA -1.062 57.372 58.200 0.390 0.000 0.824 157 S CB 0.378 63.733 63.200 0.258 0.000 1.118 157 S HN 0.185 nan 8.310 nan 0.000 0.462 158 W N 0.949 122.310 121.300 0.101 0.000 3.029 158 W HA 0.503 5.178 4.660 0.025 0.000 0.339 158 W C -0.556 175.878 176.519 -0.142 0.000 1.198 158 W CA -0.293 57.019 57.345 -0.054 0.000 1.148 158 W CB 0.876 30.247 29.460 -0.148 0.000 1.451 158 W HN 0.879 nan 8.180 nan 0.000 0.564 159 D N 0.155 120.610 120.400 0.092 0.000 2.363 159 D HA -0.060 4.595 4.640 0.025 0.000 0.240 159 D C 1.012 177.175 176.300 -0.229 0.000 1.236 159 D CA -0.036 53.940 54.000 -0.039 0.000 0.927 159 D CB 0.495 41.272 40.800 -0.038 0.000 1.150 159 D HN 0.699 nan 8.370 nan 0.000 0.458 160 E N 0.241 120.321 120.200 -0.199 0.000 2.086 160 E HA -0.288 4.077 4.350 0.025 0.000 0.200 160 E C 1.659 177.898 176.600 -0.603 0.000 1.012 160 E CA 1.768 58.014 56.400 -0.257 0.000 0.812 160 E CB -0.316 29.361 29.700 -0.038 0.000 0.743 160 E HN 0.578 nan 8.360 nan 0.000 0.453 161 A N -0.376 122.024 122.820 -0.701 0.000 2.235 161 A HA 0.047 4.382 4.320 0.025 0.000 0.208 161 A C 0.159 177.421 177.584 -0.535 0.000 1.172 161 A CA 0.255 51.606 52.037 -1.144 0.000 0.786 161 A CB -0.558 17.912 19.000 -0.883 0.000 0.804 161 A HN 0.486 nan 8.150 nan 0.000 0.479 162 F N -0.473 119.231 119.950 -0.411 0.000 3.067 162 F HA -0.275 4.267 4.527 0.025 0.000 0.279 162 F C 1.763 177.492 175.800 -0.119 0.000 0.945 162 F CA 0.836 58.533 58.000 -0.505 0.000 0.948 162 F CB -2.238 36.000 39.000 -1.270 0.000 0.898 162 F HN 0.410 nan 8.300 nan 0.000 0.746 163 S N -2.118 113.702 115.700 0.200 0.000 2.483 163 S HA 0.253 4.738 4.470 0.025 0.000 0.221 163 S C 0.553 175.344 174.600 0.318 0.000 1.030 163 S CA 0.560 58.889 58.200 0.215 0.000 0.925 163 S CB 0.586 63.826 63.200 0.066 0.000 0.795 163 S HN 0.368 nan 8.310 nan 0.000 0.511 164 Q N 1.098 121.085 119.800 0.312 0.000 2.271 164 Q HA 0.535 4.890 4.340 0.025 0.000 0.268 164 Q C -1.059 174.794 176.000 -0.245 0.000 1.021 164 Q CA -0.176 55.662 55.803 0.058 0.000 0.802 164 Q CB 2.087 30.827 28.738 0.003 0.000 1.282 164 Q HN 0.177 nan 8.270 nan 0.000 0.431 165 T N 2.175 116.259 114.554 -0.784 0.000 2.913 165 T HA 0.259 4.624 4.350 0.025 0.000 0.287 165 T C -0.557 173.857 174.700 -0.477 0.000 1.008 165 T CA -0.373 61.044 62.100 -1.139 0.000 1.067 165 T CB 0.598 68.484 68.868 -1.636 0.000 0.996 165 T HN 0.672 nan 8.240 nan 0.000 0.513 166 E N 2.142 122.143 120.200 -0.331 0.000 2.384 166 E HA -0.030 4.335 4.350 0.025 0.000 0.266 166 E C -0.459 176.092 176.600 -0.083 0.000 1.012 166 E CA -0.288 56.041 56.400 -0.119 0.000 0.901 166 E CB 0.456 30.151 29.700 -0.008 0.000 0.967 166 E HN 0.483 nan 8.360 nan 0.000 0.435 167 D N 4.309 124.690 120.400 -0.032 0.000 2.801 167 D HA 0.062 4.717 4.640 0.025 0.000 0.232 167 D C -1.640 174.699 176.300 0.066 0.000 1.128 167 D CA 0.403 54.393 54.000 -0.017 0.000 1.003 167 D CB -0.647 40.147 40.800 -0.009 0.000 1.110 167 D HN 0.353 nan 8.370 nan 0.000 0.477 168 Y N 0.479 120.699 120.300 -0.132 0.000 2.573 168 Y HA 0.403 4.968 4.550 0.025 0.000 0.328 168 Y C -1.770 174.000 175.900 -0.218 0.000 1.170 168 Y CA -1.048 56.963 58.100 -0.149 0.000 1.078 168 Y CB 0.974 39.376 38.460 -0.097 0.000 1.341 168 Y HN -0.163 nan 8.280 nan 0.000 0.459 169 R N 3.030 122.956 120.500 -0.957 0.000 2.621 169 R HA 0.708 5.063 4.340 0.025 0.000 0.292 169 R C -0.957 174.768 176.300 -0.958 0.000 0.969 169 R CA -0.795 54.727 56.100 -0.962 0.000 0.887 169 R CB 1.944 31.166 30.300 -1.797 0.000 1.180 169 R HN 0.938 nan 8.270 nan 0.000 0.450 170 G N -0.402 108.244 108.800 -0.258 0.000 2.544 170 G HA2 0.425 4.400 3.960 0.025 0.000 0.313 170 G HA3 0.425 4.400 3.960 0.025 0.000 0.313 170 G C 0.701 175.848 174.900 0.413 0.000 1.316 170 G CA -0.512 44.689 45.100 0.168 0.000 0.944 170 G HN 0.554 nan 8.290 nan 0.000 0.489 171 G N 1.215 110.322 108.800 0.512 0.000 2.432 171 G HA2 -0.235 3.740 3.960 0.025 0.000 0.219 171 G HA3 -0.235 3.740 3.960 0.025 0.000 0.219 171 G C 1.338 176.567 174.900 0.548 0.000 1.135 171 G CA 1.011 46.468 45.100 0.595 0.000 0.767 171 G HN 0.638 nan 8.290 nan 0.000 0.550 172 N N 0.430 119.422 118.700 0.487 0.000 2.109 172 N HA -0.026 4.729 4.740 0.025 0.000 0.188 172 N C 2.604 178.388 175.510 0.457 0.000 1.034 172 N CA 0.917 54.253 53.050 0.477 0.000 0.846 172 N CB -0.134 38.686 38.487 0.554 0.000 1.010 172 N HN 0.229 nan 8.380 nan 0.000 0.425 173 A N 0.968 124.109 122.820 0.535 0.000 1.908 173 A HA -0.170 4.165 4.320 0.025 0.000 0.218 173 A C 1.905 179.549 177.584 0.101 0.000 1.181 173 A CA 1.657 53.963 52.037 0.449 0.000 0.627 173 A CB -0.813 18.533 19.000 0.576 0.000 0.818 173 A HN 0.431 nan 8.150 nan 0.000 0.445 174 N N -1.001 117.797 118.700 0.163 0.000 2.188 174 N HA -0.100 4.655 4.740 0.025 0.000 0.184 174 N C 1.714 177.102 175.510 -0.203 0.000 1.018 174 N CA 1.508 54.563 53.050 0.008 0.000 0.858 174 N CB -0.322 38.329 38.487 0.274 0.000 0.989 174 N HN 0.612 nan 8.380 nan 0.000 0.426 175 M N -0.114 119.340 119.600 -0.244 0.000 2.080 175 M HA -0.196 4.299 4.480 0.025 0.000 0.260 175 M C 1.335 177.098 176.300 -0.897 0.000 1.068 175 M CA 1.642 56.344 55.300 -0.997 0.000 1.109 175 M CB -0.074 31.825 32.600 -1.170 0.000 1.342 175 M HN 0.297 nan 8.290 nan 0.000 0.405 176 H N -0.293 118.443 119.070 -0.556 0.000 2.524 176 H HA 0.082 4.653 4.556 0.025 0.000 0.282 176 H C 2.055 176.897 175.328 -0.811 0.000 1.016 176 H CA 1.216 56.852 56.048 -0.687 0.000 1.270 176 H CB -0.254 29.002 29.762 -0.844 0.000 1.394 176 H HN 0.543 nan 8.280 nan 0.000 0.568 177 A N 0.675 122.905 122.820 -0.982 0.000 1.877 177 A HA -0.110 4.225 4.320 0.025 0.000 0.216 177 A C 2.765 179.590 177.584 -1.266 0.000 1.186 177 A CA 1.400 52.472 52.037 -1.607 0.000 0.620 177 A CB -0.818 16.939 19.000 -2.072 0.000 0.822 177 A HN 0.192 nan 8.150 nan 0.000 0.443 178 V N 0.282 119.725 119.914 -0.785 0.000 2.287 178 V HA -0.325 3.810 4.120 0.025 0.000 0.248 178 V C 2.571 178.492 176.094 -0.288 0.000 1.053 178 V CA 2.473 64.530 62.300 -0.405 0.000 1.027 178 V CB -0.812 30.858 31.823 -0.254 0.000 0.646 178 V HN 0.806 nan 8.190 nan 0.000 0.447 179 E N 0.278 120.256 120.200 -0.370 0.000 2.070 179 E HA -0.285 4.080 4.350 0.025 0.000 0.197 179 E C 2.201 178.680 176.600 -0.201 0.000 1.004 179 E CA 1.763 58.007 56.400 -0.260 0.000 0.805 179 E CB -0.260 29.280 29.700 -0.267 0.000 0.744 179 E HN 0.562 nan 8.360 nan 0.000 0.451 180 A N 0.469 123.131 122.820 -0.264 0.000 1.898 180 A HA -0.128 4.207 4.320 0.025 0.000 0.216 180 A C 1.950 179.569 177.584 0.057 0.000 1.181 180 A CA 1.162 53.118 52.037 -0.136 0.000 0.620 180 A CB -0.757 18.173 19.000 -0.117 0.000 0.819 180 A HN 0.357 nan 8.150 nan 0.000 0.442 181 F N 0.156 120.042 119.950 -0.108 0.000 2.161 181 F HA -0.133 4.409 4.527 0.024 0.000 0.300 181 F C 2.124 177.933 175.800 0.015 0.000 1.089 181 F CA 0.569 58.558 58.000 -0.018 0.000 1.282 181 F CB -1.246 37.812 39.000 0.098 0.000 1.010 181 F HN 0.108 nan 8.300 nan 0.000 0.485 182 L N -0.583 120.749 121.223 0.182 0.000 2.012 182 L HA -0.262 4.093 4.340 0.025 0.000 0.210 182 L C 2.406 179.362 176.870 0.143 0.000 1.073 182 L CA 0.902 55.824 54.840 0.137 0.000 0.748 182 L CB -0.543 41.540 42.059 0.039 0.000 0.891 182 L HN 0.032 nan 8.230 nan 0.000 0.431 183 I N -1.204 119.391 120.570 0.041 0.000 2.406 183 I HA -0.156 4.029 4.170 0.025 0.000 0.249 183 I C 2.547 178.628 176.117 -0.061 0.000 1.122 183 I CA 0.996 62.298 61.300 0.002 0.000 1.431 183 I CB -1.038 36.952 38.000 -0.017 0.000 1.087 183 I HN 0.044 nan 8.210 nan 0.000 0.424 184 V N 0.860 120.683 119.914 -0.151 0.000 2.332 184 V HA -0.327 3.808 4.120 0.025 0.000 0.248 184 V C 2.491 178.426 176.094 -0.265 0.000 1.055 184 V CA 1.915 63.981 62.300 -0.390 0.000 1.038 184 V CB -1.031 30.235 31.823 -0.928 0.000 0.651 184 V HN 0.363 nan 8.190 nan 0.000 0.450 185 Y N 1.703 121.921 120.300 -0.136 0.000 2.128 185 Y HA -0.276 4.289 4.550 0.024 0.000 0.284 185 Y C 2.322 178.259 175.900 0.062 0.000 1.154 185 Y CA 2.135 60.280 58.100 0.074 0.000 1.149 185 Y CB -0.439 38.113 38.460 0.154 0.000 0.976 185 Y HN 0.321 nan 8.280 nan 0.000 0.505 186 D N -0.380 119.996 120.400 -0.040 0.000 2.263 186 D HA -0.116 4.538 4.640 0.025 0.000 0.208 186 D C 1.801 177.886 176.300 -0.357 0.000 0.971 186 D CA 1.701 55.605 54.000 -0.159 0.000 0.867 186 D CB -0.194 40.612 40.800 0.009 0.000 0.929 186 D HN 0.448 nan 8.370 nan 0.000 0.492 187 V N -1.995 117.756 119.914 -0.272 0.000 3.376 187 V HA 0.275 4.410 4.120 0.025 0.000 0.313 187 V C 1.268 177.218 176.094 -0.240 0.000 1.393 187 V CA 0.795 62.942 62.300 -0.256 0.000 1.125 187 V CB 0.181 31.912 31.823 -0.154 0.000 1.037 187 V HN 0.107 nan 8.190 nan 0.000 0.440 188 T N -4.611 109.787 114.554 -0.260 0.000 2.993 188 T HA 0.200 4.565 4.350 0.025 0.000 0.260 188 T C 0.697 175.337 174.700 -0.101 0.000 0.939 188 T CA 0.660 62.687 62.100 -0.122 0.000 0.886 188 T CB -0.692 68.189 68.868 0.023 0.000 1.209 188 T HN 0.501 nan 8.240 nan 0.000 0.518 189 H N 2.372 121.272 119.070 -0.282 0.000 2.355 189 H HA -0.122 4.448 4.556 0.024 0.000 0.324 189 H C -0.821 174.440 175.328 -0.112 0.000 1.015 189 H CA 0.586 56.393 56.048 -0.401 0.000 1.101 189 H CB -0.850 28.755 29.762 -0.261 0.000 1.555 189 H HN 0.417 nan 8.280 nan 0.000 0.386 190 D N 0.742 121.234 120.400 0.153 0.000 2.453 190 D HA 0.086 4.741 4.640 0.025 0.000 0.238 190 D C 1.023 177.545 176.300 0.369 0.000 1.088 190 D CA -0.798 53.342 54.000 0.233 0.000 0.854 190 D CB 0.867 41.809 40.800 0.237 0.000 1.076 190 D HN 0.553 nan 8.370 nan 0.000 0.533 191 K N 3.611 124.180 120.400 0.282 0.000 2.360 191 K HA -0.208 4.127 4.320 0.025 0.000 0.201 191 K C 1.524 178.129 176.600 0.008 0.000 1.046 191 K CA 1.058 57.472 56.287 0.212 0.000 0.945 191 K CB -0.048 32.514 32.500 0.103 0.000 0.750 191 K HN 0.328 nan 8.250 nan 0.000 0.464 192 K N 0.631 120.954 120.400 -0.128 0.000 2.160 192 K HA -0.185 4.150 4.320 0.025 0.000 0.206 192 K C 1.365 177.629 176.600 -0.561 0.000 1.047 192 K CA 1.692 57.744 56.287 -0.392 0.000 0.930 192 K CB -0.482 31.682 32.500 -0.560 0.000 0.720 192 K HN 0.366 nan 8.250 nan 0.000 0.450 193 W N 0.627 121.812 121.300 -0.193 0.000 2.418 193 W HA 0.001 4.676 4.660 0.025 0.000 0.292 193 W C 2.004 178.413 176.519 -0.184 0.000 1.213 193 W CA -0.192 56.970 57.345 -0.305 0.000 1.283 193 W CB -0.250 29.122 29.460 -0.147 0.000 1.119 193 W HN 0.075 nan 8.180 nan 0.000 0.542 194 L N 0.371 121.608 121.223 0.023 0.000 2.156 194 L HA -0.126 4.229 4.340 0.025 0.000 0.208 194 L C 1.716 178.534 176.870 -0.086 0.000 1.095 194 L CA 1.833 56.597 54.840 -0.127 0.000 0.770 194 L CB -0.822 40.967 42.059 -0.451 0.000 0.914 194 L HN -0.170 nan 8.230 nan 0.000 0.439 195 D N -0.497 119.837 120.400 -0.109 0.000 2.123 195 D HA -0.180 4.475 4.640 0.025 0.000 0.196 195 D C 2.324 178.594 176.300 -0.049 0.000 0.992 195 D CA 1.187 55.138 54.000 -0.081 0.000 0.833 195 D CB -0.030 40.704 40.800 -0.109 0.000 0.954 195 D HN 0.296 nan 8.370 nan 0.000 0.455 196 R N 0.591 120.995 120.500 -0.160 0.000 2.075 196 R HA 0.008 4.363 4.340 0.025 0.000 0.232 196 R C 2.346 178.735 176.300 0.148 0.000 1.126 196 R CA 1.192 57.185 56.100 -0.179 0.000 0.963 196 R CB -0.290 29.550 30.300 -0.767 0.000 0.858 196 R HN 0.095 nan 8.270 nan 0.000 0.435 197 A N 1.412 124.367 122.820 0.224 0.000 1.883 197 A HA -0.167 4.168 4.320 0.025 0.000 0.217 197 A C 2.157 179.855 177.584 0.191 0.000 1.186 197 A CA 1.123 53.304 52.037 0.239 0.000 0.624 197 A CB -0.670 18.450 19.000 0.199 0.000 0.822 197 A HN 0.257 nan 8.150 nan 0.000 0.444 198 L N -0.867 120.436 121.223 0.133 0.000 2.042 198 L HA -0.217 4.138 4.340 0.025 0.000 0.210 198 L C 2.827 179.843 176.870 0.243 0.000 1.076 198 L CA 2.245 57.186 54.840 0.168 0.000 0.749 198 L CB -0.389 41.723 42.059 0.088 0.000 0.893 198 L HN 0.553 nan 8.230 nan 0.000 0.432 199 R N 0.681 121.290 120.500 0.182 0.000 2.073 199 R HA -0.166 4.189 4.340 0.025 0.000 0.234 199 R C 2.003 178.373 176.300 0.116 0.000 1.134 199 R CA 1.765 57.955 56.100 0.151 0.000 0.952 199 R CB -0.821 29.591 30.300 0.187 0.000 0.850 199 R HN 0.343 nan 8.270 nan 0.000 0.433 200 I N 0.738 121.420 120.570 0.185 0.000 2.163 200 I HA -0.257 3.928 4.170 0.025 0.000 0.243 200 I C 2.395 178.573 176.117 0.102 0.000 1.085 200 I CA 1.613 62.993 61.300 0.134 0.000 1.347 200 I CB -0.490 37.650 38.000 0.233 0.000 1.044 200 I HN 0.384 nan 8.210 nan 0.000 0.408 201 A N 0.524 123.486 122.820 0.237 0.000 1.972 201 A HA -0.215 4.120 4.320 0.025 0.000 0.219 201 A C 2.483 180.122 177.584 0.090 0.000 1.169 201 A CA 2.011 54.173 52.037 0.207 0.000 0.635 201 A CB -0.833 18.433 19.000 0.443 0.000 0.810 201 A HN 0.542 nan 8.150 nan 0.000 0.446 202 S N -0.543 115.218 115.700 0.103 0.000 2.399 202 S HA -0.105 4.380 4.470 0.025 0.000 0.231 202 S C 1.706 176.140 174.600 -0.277 0.000 1.022 202 S CA 1.525 59.561 58.200 -0.274 0.000 0.983 202 S CB -0.663 62.421 63.200 -0.195 0.000 0.803 202 S HN 0.238 nan 8.310 nan 0.000 0.480 203 V N 1.575 121.348 119.914 -0.235 0.000 2.331 203 V HA 0.094 4.229 4.120 0.025 0.000 0.242 203 V C 2.457 178.374 176.094 -0.294 0.000 1.034 203 V CA 1.435 63.554 62.300 -0.302 0.000 1.027 203 V CB -0.562 31.003 31.823 -0.430 0.000 0.667 203 V HN 0.446 nan 8.190 nan 0.000 0.457 204 I N -0.469 119.909 120.570 -0.319 0.000 2.353 204 I HA -0.159 4.026 4.170 0.025 0.000 0.248 204 I C 2.050 177.936 176.117 -0.384 0.000 1.119 204 I CA 1.223 62.339 61.300 -0.306 0.000 1.417 204 I CB -0.086 37.714 38.000 -0.333 0.000 1.078 204 I HN 0.232 nan 8.210 nan 0.000 0.421 205 I N -0.642 119.667 120.570 -0.434 0.000 2.900 205 I HA -0.102 4.083 4.170 0.025 0.000 0.251 205 I C 2.495 178.494 176.117 -0.196 0.000 1.102 205 I CA 1.279 62.385 61.300 -0.322 0.000 1.457 205 I CB -1.565 36.289 38.000 -0.244 0.000 1.285 205 I HN 0.152 nan 8.210 nan 0.000 0.459 206 H N 1.122 119.991 119.070 -0.336 0.000 2.387 206 H HA -0.156 4.415 4.556 0.025 0.000 0.299 206 H C 1.775 176.863 175.328 -0.399 0.000 1.090 206 H CA 2.179 57.954 56.048 -0.455 0.000 1.332 206 H CB 0.118 29.239 29.762 -1.068 0.000 1.386 206 H HN 0.296 nan 8.280 nan 0.000 0.516 207 D N -0.976 119.192 120.400 -0.387 0.000 2.191 207 D HA -0.088 4.567 4.640 0.025 0.000 0.221 207 D C 2.354 178.469 176.300 -0.309 0.000 1.006 207 D CA 1.628 55.415 54.000 -0.355 0.000 0.910 207 D CB -0.461 40.181 40.800 -0.263 0.000 1.031 207 D HN 0.188 nan 8.370 nan 0.000 0.447 208 V N 1.440 121.217 119.914 -0.229 0.000 2.261 208 V HA -0.131 4.004 4.120 0.025 0.000 0.246 208 V C 2.702 178.637 176.094 -0.265 0.000 1.047 208 V CA 2.162 64.352 62.300 -0.184 0.000 1.015 208 V CB -1.183 30.630 31.823 -0.017 0.000 0.642 208 V HN 0.383 nan 8.190 nan 0.000 0.446 209 A N -0.014 122.633 122.820 -0.288 0.000 1.877 209 A HA -0.241 4.094 4.320 0.025 0.000 0.216 209 A C 2.423 179.698 177.584 -0.515 0.000 1.186 209 A CA 2.002 53.831 52.037 -0.347 0.000 0.620 209 A CB -0.627 18.190 19.000 -0.305 0.000 0.822 209 A HN 0.461 nan 8.150 nan 0.000 0.443 210 R N -0.201 119.930 120.500 -0.615 0.000 2.105 210 R HA -0.139 4.216 4.340 0.025 0.000 0.239 210 R C 1.059 176.949 176.300 -0.683 0.000 1.135 210 R CA 1.683 57.199 56.100 -0.973 0.000 0.967 210 R CB -0.238 29.664 30.300 -0.663 0.000 0.861 210 R HN 0.500 nan 8.270 nan 0.000 0.442 211 N N -0.663 117.761 118.700 -0.461 0.000 2.461 211 N HA -0.010 4.745 4.740 0.025 0.000 0.188 211 N C 0.354 175.697 175.510 -0.278 0.000 1.134 211 N CA 0.862 53.714 53.050 -0.330 0.000 0.878 211 N CB 1.030 39.352 38.487 -0.274 0.000 0.972 211 N HN 0.284 nan 8.380 nan 0.000 0.456 212 G N 0.267 108.880 108.800 -0.311 0.000 4.757 212 G HA2 0.118 4.093 3.960 0.025 0.000 0.303 212 G HA3 0.118 4.093 3.960 0.025 0.000 0.303 212 G C -0.390 174.389 174.900 -0.202 0.000 1.318 212 G CA -0.359 44.601 45.100 -0.233 0.000 1.020 212 G HN -0.011 nan 8.290 nan 0.000 0.589 213 D N -0.166 120.112 120.400 -0.203 0.000 2.837 213 D HA -0.248 4.407 4.640 0.025 0.000 0.230 213 D C 0.232 176.514 176.300 -0.030 0.000 1.152 213 D CA 1.112 55.066 54.000 -0.075 0.000 0.736 213 D CB -1.412 39.393 40.800 0.009 0.000 1.084 213 D HN 0.684 nan 8.370 nan 0.000 0.429 214 Y N -2.374 117.808 120.300 -0.198 0.000 4.490 214 Y HA -0.322 4.244 4.550 0.026 0.000 0.233 214 Y C 0.929 176.406 175.900 -0.705 0.000 1.101 214 Y CA 0.989 58.910 58.100 -0.297 0.000 2.010 214 Y CB -1.552 36.832 38.460 -0.126 0.000 1.622 214 Y HN 0.211 nan 8.280 nan 0.000 0.675 215 R N 0.831 120.943 120.500 -0.646 0.000 2.210 215 R HA 0.402 4.757 4.340 0.025 0.000 0.338 215 R C -0.126 175.802 176.300 -0.620 0.000 1.062 215 R CA -0.514 54.945 56.100 -1.069 0.000 0.902 215 R CB 0.932 31.070 30.300 -0.269 0.000 1.050 215 R HN -0.050 nan 8.270 nan 0.000 0.461 216 V N 4.151 123.539 119.914 -0.876 0.000 2.479 216 V HA -0.041 4.094 4.120 0.025 0.000 0.281 216 V C 0.895 177.074 176.094 0.141 0.000 1.031 216 V CA -0.211 61.953 62.300 -0.227 0.000 1.038 216 V CB 0.540 32.360 31.823 -0.005 0.000 0.981 216 V HN 0.700 nan 8.190 nan 0.000 0.478 217 N N 4.260 122.971 118.700 0.018 0.000 2.458 217 N HA 0.134 4.889 4.740 0.025 0.000 0.270 217 N C 0.617 176.092 175.510 -0.058 0.000 1.102 217 N CA -0.168 52.840 53.050 -0.070 0.000 0.967 217 N CB 1.300 39.505 38.487 -0.471 0.000 1.078 217 N HN 0.734 nan 8.380 nan 0.000 0.471 218 E N 1.478 121.581 120.200 -0.163 0.000 2.340 218 E HA 0.043 4.408 4.350 0.025 0.000 0.198 218 E C -0.355 176.071 176.600 -0.291 0.000 0.961 218 E CA 0.268 56.580 56.400 -0.146 0.000 0.905 218 E CB 0.364 29.919 29.700 -0.242 0.000 0.884 218 E HN 0.609 nan 8.360 nan 0.000 0.491 219 H N -0.277 118.660 119.070 -0.221 0.000 2.504 219 H HA 0.357 4.929 4.556 0.025 0.000 0.322 219 H C -0.788 174.142 175.328 -0.662 0.000 1.055 219 H CA -0.229 55.601 56.048 -0.364 0.000 1.231 219 H CB 0.317 29.955 29.762 -0.207 0.000 1.417 219 H HN -0.091 nan 8.280 nan 0.000 0.472 220 F N 1.020 120.662 119.950 -0.513 0.000 2.603 220 F HA 0.146 4.688 4.527 0.025 0.000 0.317 220 F C 0.486 175.982 175.800 -0.507 0.000 1.066 220 F CA -1.064 56.668 58.000 -0.446 0.000 0.941 220 F CB 1.450 40.108 39.000 -0.569 0.000 1.291 220 F HN 0.459 nan 8.300 nan 0.000 0.472 221 D N -0.641 119.686 120.400 -0.121 0.000 2.447 221 D HA 0.142 4.797 4.640 0.025 0.000 0.265 221 D C 0.762 176.885 176.300 -0.295 0.000 1.250 221 D CA -0.417 53.494 54.000 -0.149 0.000 1.046 221 D CB 0.210 40.978 40.800 -0.052 0.000 1.095 221 D HN 0.311 nan 8.370 nan 0.000 0.555 222 S N -1.350 114.221 115.700 -0.214 0.000 2.507 222 S HA -0.096 4.389 4.470 0.025 0.000 0.235 222 S C 1.209 175.699 174.600 -0.183 0.000 0.988 222 S CA 0.521 58.576 58.200 -0.243 0.000 0.944 222 S CB -0.212 62.909 63.200 -0.132 0.000 0.762 222 S HN 0.402 nan 8.310 nan 0.000 0.526 223 Q N -1.053 118.684 119.800 -0.104 0.000 2.247 223 Q HA 0.102 4.457 4.340 0.025 0.000 0.204 223 Q C -0.550 175.538 176.000 0.146 0.000 0.872 223 Q CA -0.154 55.666 55.803 0.027 0.000 0.951 223 Q CB 0.036 28.790 28.738 0.027 0.000 1.099 223 Q HN 0.654 nan 8.270 nan 0.000 0.501 224 W N 1.252 122.529 121.300 -0.039 0.000 4.435 224 W HA -0.218 4.457 4.660 0.025 0.000 0.351 224 W C -0.382 176.232 176.519 0.157 0.000 1.319 224 W CA 0.028 57.336 57.345 -0.063 0.000 0.791 224 W CB -2.104 27.204 29.460 -0.254 0.000 2.419 224 W HN 0.075 nan 8.180 nan 0.000 1.406 225 N N 0.938 119.791 118.700 0.256 0.000 2.455 225 N HA 0.324 5.079 4.740 0.025 0.000 0.280 225 N C -2.202 173.381 175.510 0.121 0.000 1.055 225 N CA -1.531 51.629 53.050 0.183 0.000 0.961 225 N CB 0.853 39.377 38.487 0.061 0.000 1.121 225 N HN -0.294 nan 8.380 nan 0.000 0.476 226 P HA 0.086 nan 4.420 nan 0.000 0.265 226 P C -0.222 176.948 177.300 -0.216 0.000 1.187 226 P CA 0.346 63.213 63.100 -0.388 0.000 0.766 226 P CB 0.518 31.951 31.700 -0.444 0.000 0.820 227 I N 4.067 124.523 120.570 -0.189 0.000 2.361 227 I HA 0.224 4.409 4.170 0.025 0.000 0.282 227 I C 1.518 177.686 176.117 0.085 0.000 1.075 227 I CA -0.563 60.742 61.300 0.008 0.000 1.205 227 I CB 0.783 38.867 38.000 0.139 0.000 1.406 227 I HN 0.232 nan 8.210 nan 0.000 0.481 228 R N 2.765 123.272 120.500 0.012 0.000 2.120 228 R HA -0.117 4.238 4.340 0.025 0.000 0.234 228 R C 1.027 177.574 176.300 0.411 0.000 1.123 228 R CA 1.094 57.234 56.100 0.067 0.000 0.975 228 R CB -0.239 29.956 30.300 -0.175 0.000 0.866 228 R HN 0.689 nan 8.270 nan 0.000 0.446 229 D N -1.672 118.949 120.400 0.368 0.000 2.342 229 D HA -0.101 4.554 4.640 0.025 0.000 0.221 229 D C 0.178 176.747 176.300 0.448 0.000 1.101 229 D CA -0.582 53.718 54.000 0.500 0.000 0.837 229 D CB -0.805 40.181 40.800 0.311 0.000 0.938 229 D HN 0.066 nan 8.370 nan 0.000 0.508 230 Y N 2.201 122.665 120.300 0.273 0.000 2.717 230 Y HA 0.017 4.582 4.550 0.025 0.000 0.330 230 Y C 0.721 176.692 175.900 0.118 0.000 1.217 230 Y CA 0.663 58.829 58.100 0.111 0.000 1.506 230 Y CB 0.157 38.602 38.460 -0.024 0.000 1.268 230 Y HN -0.100 nan 8.280 nan 0.000 0.561 231 N N 2.723 121.151 118.700 -0.455 0.000 2.714 231 N HA -0.293 4.462 4.740 0.025 0.000 0.250 231 N C 1.080 176.593 175.510 0.005 0.000 1.117 231 N CA 1.345 54.241 53.050 -0.257 0.000 0.719 231 N CB -0.908 37.461 38.487 -0.196 0.000 1.081 231 N HN 0.748 nan 8.380 nan 0.000 0.557 232 K N 0.529 120.924 120.400 -0.008 0.000 2.113 232 K HA -0.103 4.232 4.320 0.025 0.000 0.208 232 K C 0.810 177.266 176.600 -0.239 0.000 1.047 232 K CA 1.828 57.933 56.287 -0.302 0.000 0.928 232 K CB 0.058 32.408 32.500 -0.249 0.000 0.716 232 K HN 0.213 nan 8.250 nan 0.000 0.446 233 D N -0.765 119.549 120.400 -0.143 0.000 2.350 233 D HA -0.024 4.631 4.640 0.025 0.000 0.213 233 D C -0.050 176.209 176.300 -0.069 0.000 1.031 233 D CA 0.439 54.375 54.000 -0.107 0.000 0.861 233 D CB 0.159 40.903 40.800 -0.092 0.000 0.926 233 D HN 0.106 nan 8.370 nan 0.000 0.520 234 N N 0.555 119.226 118.700 -0.048 0.000 2.723 234 N HA 0.109 4.864 4.740 0.025 0.000 0.290 234 N C -2.005 173.557 175.510 0.086 0.000 1.882 234 N CA -1.620 51.440 53.050 0.017 0.000 0.851 234 N CB 1.105 39.613 38.487 0.035 0.000 1.234 234 N HN -0.146 nan 8.380 nan 0.000 0.491 235 P HA -0.028 nan 4.420 nan 0.000 0.220 235 P C 0.519 177.955 177.300 0.226 0.000 1.148 235 P CA 0.721 63.917 63.100 0.160 0.000 0.803 235 P CB 0.284 32.033 31.700 0.082 0.000 0.782 236 A N -1.035 121.889 122.820 0.173 0.000 2.476 236 A HA 0.063 4.398 4.320 0.025 0.000 0.263 236 A C 0.494 178.178 177.584 0.166 0.000 1.342 236 A CA -0.336 51.815 52.037 0.190 0.000 0.926 236 A CB -1.725 17.305 19.000 0.050 0.000 1.019 236 A HN 0.205 nan 8.150 nan 0.000 0.515 237 H N 0.067 119.216 119.070 0.132 0.000 2.972 237 H HA 0.166 4.737 4.556 0.025 0.000 0.343 237 H C 1.361 176.740 175.328 0.086 0.000 1.054 237 H CA 0.523 56.618 56.048 0.078 0.000 1.412 237 H CB 0.562 30.395 29.762 0.117 0.000 1.385 237 H HN 0.338 nan 8.280 nan 0.000 0.600 238 R N 3.027 123.355 120.500 -0.287 0.000 2.189 238 R HA -0.084 4.271 4.340 0.025 0.000 0.223 238 R C 0.602 176.698 176.300 -0.339 0.000 1.092 238 R CA 1.406 57.222 56.100 -0.473 0.000 0.989 238 R CB 0.244 29.848 30.300 -1.160 0.000 0.876 238 R HN 0.581 nan 8.270 nan 0.000 0.457 239 F N -1.448 118.717 119.950 0.358 0.000 2.819 239 F HA 0.290 4.832 4.527 0.025 0.000 0.325 239 F C 0.609 176.599 175.800 0.317 0.000 1.041 239 F CA -0.272 57.867 58.000 0.232 0.000 1.184 239 F CB 0.770 39.722 39.000 -0.081 0.000 1.019 239 F HN -0.335 nan 8.300 nan 0.000 0.590 240 R N 0.897 121.713 120.500 0.527 0.000 2.738 240 R HA 0.540 4.895 4.340 0.025 0.000 0.280 240 R C -0.326 176.201 176.300 0.378 0.000 1.456 240 R CA -0.344 55.984 56.100 0.380 0.000 1.612 240 R CB 0.906 31.225 30.300 0.032 0.000 1.286 240 R HN 0.027 nan 8.270 nan 0.000 0.660 241 A N 0.945 124.019 122.820 0.423 0.000 2.445 241 A HA 0.017 4.352 4.320 0.025 0.000 0.242 241 A C -0.371 177.452 177.584 0.397 0.000 1.075 241 A CA -0.158 52.089 52.037 0.350 0.000 0.777 241 A CB 0.099 19.197 19.000 0.164 0.000 1.013 241 A HN 0.553 nan 8.150 nan 0.000 0.493 242 Y N 1.966 122.386 120.300 0.200 0.000 2.597 242 Y HA 0.366 4.931 4.550 0.025 0.000 0.336 242 Y C 1.151 177.083 175.900 0.055 0.000 1.216 242 Y CA 1.341 59.544 58.100 0.172 0.000 1.463 242 Y CB 0.019 38.524 38.460 0.075 0.000 1.303 242 Y HN 1.765 nan 8.280 nan 0.000 0.576 243 G N 3.191 111.455 108.800 -0.893 0.000 2.528 243 G HA2 -0.113 3.862 3.960 0.025 0.000 0.262 243 G HA3 -0.113 3.862 3.960 0.025 0.000 0.262 243 G C 0.036 174.461 174.900 -0.791 0.000 1.200 243 G CA -0.343 43.978 45.100 -1.300 0.000 0.951 243 G HN 1.486 nan 8.290 nan 0.000 0.566 244 G N -0.905 107.455 108.800 -0.733 0.000 2.356 244 G HA2 0.628 4.603 3.960 0.025 0.000 0.322 244 G HA3 0.628 4.603 3.960 0.025 0.000 0.322 244 G C -0.304 174.511 174.900 -0.142 0.000 1.125 244 G CA 0.763 45.816 45.100 -0.079 0.000 0.885 244 G HN 1.064 nan 8.290 nan 0.000 0.467 245 T N 4.870 119.370 114.554 -0.091 0.000 3.042 245 T HA 0.309 4.674 4.350 0.025 0.000 0.356 245 T C -1.674 172.556 174.700 -0.783 0.000 1.233 245 T CA -0.995 60.870 62.100 -0.390 0.000 1.038 245 T CB 1.859 70.629 68.868 -0.164 0.000 1.089 245 T HN 0.227 nan 8.240 nan 0.000 0.531 246 P HA -0.102 nan 4.420 nan 0.000 0.217 246 P C 1.877 178.634 177.300 -0.904 0.000 1.148 246 P CA 0.771 62.795 63.100 -1.794 0.000 0.828 246 P CB 0.056 30.964 31.700 -1.319 0.000 0.783 247 G N 0.294 108.660 108.800 -0.723 0.000 2.469 247 G HA2 -0.308 3.667 3.960 0.025 0.000 0.220 247 G HA3 -0.308 3.667 3.960 0.025 0.000 0.220 247 G C 1.642 176.579 174.900 0.061 0.000 1.136 247 G CA 1.014 45.762 45.100 -0.587 0.000 0.759 247 G HN 0.350 nan 8.290 nan 0.000 0.562 248 A N 0.141 123.129 122.820 0.280 0.000 1.969 248 A HA 0.026 4.361 4.320 0.025 0.000 0.218 248 A C 2.168 180.096 177.584 0.574 0.000 1.169 248 A CA 1.542 53.861 52.037 0.471 0.000 0.635 248 A CB -0.554 18.753 19.000 0.511 0.000 0.810 248 A HN 0.469 nan 8.150 nan 0.000 0.445 249 W N -0.325 121.133 121.300 0.265 0.000 2.355 249 W HA -0.079 4.595 4.660 0.024 0.000 0.309 249 W C 2.067 178.716 176.519 0.217 0.000 1.206 249 W CA 0.369 57.870 57.345 0.259 0.000 1.284 249 W CB -1.395 28.144 29.460 0.131 0.000 1.145 249 W HN 0.343 nan 8.180 nan 0.000 0.502 250 I N 0.225 120.964 120.570 0.281 0.000 2.439 250 I HA -0.238 3.947 4.170 0.025 0.000 0.251 250 I C 2.520 178.748 176.117 0.184 0.000 1.139 250 I CA 1.543 62.928 61.300 0.142 0.000 1.438 250 I CB -0.280 37.635 38.000 -0.142 0.000 1.085 250 I HN -0.021 nan 8.210 nan 0.000 0.427 251 E N 0.140 120.461 120.200 0.200 0.000 2.051 251 E HA -0.290 4.075 4.350 0.025 0.000 0.192 251 E C 2.051 178.731 176.600 0.133 0.000 0.991 251 E CA 1.746 58.242 56.400 0.161 0.000 0.799 251 E CB -0.294 29.513 29.700 0.178 0.000 0.748 251 E HN 0.534 nan 8.360 nan 0.000 0.449 252 W N 0.470 121.850 121.300 0.134 0.000 2.305 252 W HA -0.182 4.493 4.660 0.025 0.000 0.308 252 W C 2.353 178.928 176.519 0.094 0.000 1.226 252 W CA 1.359 58.771 57.345 0.112 0.000 1.253 252 W CB -0.661 28.897 29.460 0.162 0.000 1.146 252 W HN 0.264 nan 8.180 nan 0.000 0.507 253 G N -0.185 108.824 108.800 0.348 0.000 2.446 253 G HA2 -0.330 3.645 3.960 0.025 0.000 0.217 253 G HA3 -0.330 3.645 3.960 0.025 0.000 0.217 253 G C 1.437 176.391 174.900 0.090 0.000 1.168 253 G CA 1.293 46.512 45.100 0.199 0.000 0.771 253 G HN 0.237 nan 8.290 nan 0.000 0.551 254 R N -0.046 120.498 120.500 0.073 0.000 2.073 254 R HA 0.058 4.413 4.340 0.025 0.000 0.234 254 R C 2.637 178.931 176.300 -0.011 0.000 1.134 254 R CA 1.091 57.175 56.100 -0.025 0.000 0.952 254 R CB -0.385 29.928 30.300 0.021 0.000 0.850 254 R HN 0.397 nan 8.270 nan 0.000 0.433 255 L N 0.204 121.484 121.223 0.095 0.000 2.042 255 L HA -0.223 4.132 4.340 0.025 0.000 0.210 255 L C 2.652 179.593 176.870 0.118 0.000 1.076 255 L CA 1.526 56.443 54.840 0.128 0.000 0.749 255 L CB -0.356 41.698 42.059 -0.008 0.000 0.893 255 L HN 0.340 nan 8.230 nan 0.000 0.432 256 M N -0.703 118.975 119.600 0.130 0.000 2.279 256 M HA -0.206 4.289 4.480 0.025 0.000 0.264 256 M C 2.155 178.439 176.300 -0.027 0.000 1.062 256 M CA 1.544 56.888 55.300 0.073 0.000 1.099 256 M CB -0.236 32.430 32.600 0.110 0.000 1.394 256 M HN 0.288 nan 8.290 nan 0.000 0.426 257 L N -1.522 119.646 121.223 -0.093 0.000 2.179 257 L HA -0.146 4.209 4.340 0.025 0.000 0.208 257 L C 2.473 179.245 176.870 -0.163 0.000 1.096 257 L CA 0.640 55.363 54.840 -0.195 0.000 0.779 257 L CB -1.007 40.856 42.059 -0.326 0.000 0.922 257 L HN 0.357 nan 8.230 nan 0.000 0.443 258 H N 0.078 119.131 119.070 -0.029 0.000 2.387 258 H HA -0.169 4.402 4.556 0.024 0.000 0.299 258 H C 2.351 177.669 175.328 -0.016 0.000 1.090 258 H CA 1.426 57.467 56.048 -0.011 0.000 1.332 258 H CB -0.052 29.706 29.762 -0.007 0.000 1.386 258 H HN 0.299 nan 8.280 nan 0.000 0.516 259 L N 0.180 121.450 121.223 0.079 0.000 2.017 259 L HA -0.204 4.151 4.340 0.025 0.000 0.208 259 L C 2.829 179.663 176.870 -0.060 0.000 1.073 259 L CA 1.268 56.098 54.840 -0.017 0.000 0.745 259 L CB -0.392 41.645 42.059 -0.037 0.000 0.894 259 L HN 0.340 nan 8.230 nan 0.000 0.432 260 H N 0.070 119.043 119.070 -0.162 0.000 2.289 260 H HA -0.238 4.332 4.556 0.024 0.000 0.294 260 H C 1.951 177.189 175.328 -0.149 0.000 1.095 260 H CA 2.096 58.030 56.048 -0.189 0.000 1.256 260 H CB 0.128 29.768 29.762 -0.203 0.000 1.359 260 H HN 0.470 nan 8.280 nan 0.000 0.487 261 A N 0.968 123.851 122.820 0.104 0.000 1.930 261 A HA 0.009 4.344 4.320 0.025 0.000 0.217 261 A C 2.764 180.339 177.584 -0.015 0.000 1.175 261 A CA 1.648 53.720 52.037 0.059 0.000 0.627 261 A CB -0.967 18.066 19.000 0.054 0.000 0.815 261 A HN 0.590 nan 8.150 nan 0.000 0.443 262 A N -0.037 122.777 122.820 -0.010 0.000 1.908 262 A HA -0.084 4.251 4.320 0.025 0.000 0.218 262 A C 2.167 179.692 177.584 -0.100 0.000 1.181 262 A CA 1.579 53.604 52.037 -0.020 0.000 0.627 262 A CB -0.614 18.333 19.000 -0.089 0.000 0.818 262 A HN 0.478 nan 8.150 nan 0.000 0.445 263 L N -0.830 120.291 121.223 -0.171 0.000 2.056 263 L HA -0.196 4.159 4.340 0.025 0.000 0.207 263 L C 2.599 179.350 176.870 -0.199 0.000 1.078 263 L CA 1.609 56.333 54.840 -0.193 0.000 0.749 263 L CB -0.677 41.236 42.059 -0.243 0.000 0.901 263 L HN 0.461 nan 8.230 nan 0.000 0.433 264 E N 0.281 120.338 120.200 -0.238 0.000 2.118 264 E HA -0.255 4.110 4.350 0.025 0.000 0.195 264 E C 2.245 178.647 176.600 -0.330 0.000 0.992 264 E CA 1.212 57.462 56.400 -0.250 0.000 0.804 264 E CB -0.197 29.385 29.700 -0.196 0.000 0.741 264 E HN 0.520 nan 8.360 nan 0.000 0.458 265 A N 1.826 124.496 122.820 -0.250 0.000 2.015 265 A HA -0.167 4.168 4.320 0.025 0.000 0.219 265 A C 1.909 179.267 177.584 -0.377 0.000 1.163 265 A CA 1.167 53.032 52.037 -0.286 0.000 0.646 265 A CB -0.407 18.531 19.000 -0.103 0.000 0.806 265 A HN 0.232 nan 8.150 nan 0.000 0.448 266 R N -2.669 117.690 120.500 -0.235 0.000 2.609 266 R HA 0.430 4.785 4.340 0.025 0.000 0.326 266 R C -0.570 175.776 176.300 0.076 0.000 1.090 266 R CA -0.352 55.712 56.100 -0.060 0.000 1.072 266 R CB -0.775 29.543 30.300 0.030 0.000 1.330 266 R HN 0.133 nan 8.270 nan 0.000 0.572 267 F N -0.016 119.910 119.950 -0.039 0.000 3.074 267 F HA -0.265 4.276 4.527 0.023 0.000 0.289 267 F C -0.009 175.759 175.800 -0.053 0.000 0.863 267 F CA 1.009 58.984 58.000 -0.042 0.000 1.121 267 F CB -1.579 37.403 39.000 -0.031 0.000 1.169 267 F HN 0.442 nan 8.300 nan 0.000 0.570 268 E N 0.169 120.371 120.200 0.003 0.000 2.166 268 E HA 0.408 4.773 4.350 0.025 0.000 0.275 268 E C -0.080 176.460 176.600 -0.099 0.000 0.941 268 E CA -0.603 55.778 56.400 -0.031 0.000 0.784 268 E CB 1.257 30.925 29.700 -0.053 0.000 1.115 268 E HN 0.087 nan 8.360 nan 0.000 0.399 269 T N 6.386 120.888 114.554 -0.085 0.000 2.769 269 T HA 0.188 4.553 4.350 0.025 0.000 0.293 269 T C -2.206 172.378 174.700 -0.193 0.000 0.931 269 T CA -1.088 60.935 62.100 -0.128 0.000 1.139 269 T CB 0.442 69.264 68.868 -0.076 0.000 0.881 269 T HN 0.345 nan 8.240 nan 0.000 0.532 270 P HA 0.283 nan 4.420 nan 0.000 0.275 270 P C -2.533 174.585 177.300 -0.304 0.000 1.228 270 P CA -1.793 61.073 63.100 -0.390 0.000 0.786 270 P CB -0.375 30.890 31.700 -0.724 0.000 0.927 271 P HA 0.017 nan 4.420 nan 0.000 0.266 271 P C 0.636 177.749 177.300 -0.312 0.000 1.195 271 P CA 0.038 62.969 63.100 -0.282 0.000 0.768 271 P CB 0.406 31.874 31.700 -0.387 0.000 0.838 272 A N 4.444 127.200 122.820 -0.107 0.000 2.019 272 A HA -0.149 4.186 4.320 0.025 0.000 0.219 272 A C 1.892 179.477 177.584 0.001 0.000 1.164 272 A CA 1.162 53.184 52.037 -0.024 0.000 0.644 272 A CB -1.391 17.639 19.000 0.050 0.000 0.805 272 A HN 0.840 nan 8.150 nan 0.000 0.449 273 W N -0.101 121.162 121.300 -0.061 0.000 2.465 273 W HA -0.051 4.625 4.660 0.027 0.000 0.268 273 W C 1.189 177.699 176.519 -0.016 0.000 1.242 273 W CA 0.693 57.995 57.345 -0.072 0.000 1.248 273 W CB -1.045 28.177 29.460 -0.397 0.000 1.118 273 W HN 0.252 nan 8.180 nan 0.000 0.587 274 L N 0.890 121.793 121.223 -0.534 0.000 2.012 274 L HA -0.267 4.088 4.340 0.025 0.000 0.210 274 L C 2.810 179.620 176.870 -0.100 0.000 1.073 274 L CA 1.467 56.070 54.840 -0.394 0.000 0.748 274 L CB -1.127 40.658 42.059 -0.457 0.000 0.891 274 L HN 0.035 nan 8.230 nan 0.000 0.431 275 L N -0.286 120.887 121.223 -0.083 0.000 2.072 275 L HA -0.139 4.216 4.340 0.025 0.000 0.205 275 L C 2.360 179.217 176.870 -0.023 0.000 1.079 275 L CA 1.618 56.395 54.840 -0.105 0.000 0.752 275 L CB -0.471 41.493 42.059 -0.159 0.000 0.906 275 L HN 0.185 nan 8.230 nan 0.000 0.436 276 E N -0.326 119.910 120.200 0.060 0.000 2.058 276 E HA -0.244 4.121 4.350 0.025 0.000 0.194 276 E C 1.735 178.402 176.600 0.112 0.000 0.997 276 E CA 1.626 58.096 56.400 0.116 0.000 0.801 276 E CB -0.193 29.630 29.700 0.206 0.000 0.746 276 E HN 0.529 nan 8.360 nan 0.000 0.450 277 D N 0.129 120.660 120.400 0.219 0.000 2.183 277 D HA -0.068 4.587 4.640 0.025 0.000 0.203 277 D C 1.835 178.159 176.300 0.041 0.000 0.969 277 D CA 1.092 55.239 54.000 0.244 0.000 0.842 277 D CB -0.254 40.865 40.800 0.531 0.000 0.957 277 D HN 0.174 nan 8.370 nan 0.000 0.484 278 A N 1.223 124.069 122.820 0.044 0.000 1.877 278 A HA -0.223 4.112 4.320 0.025 0.000 0.216 278 A C 2.071 179.631 177.584 -0.040 0.000 1.186 278 A CA 1.457 53.497 52.037 0.005 0.000 0.620 278 A CB -0.377 18.587 19.000 -0.061 0.000 0.822 278 A HN 0.123 nan 8.150 nan 0.000 0.443 279 K N -0.860 119.501 120.400 -0.065 0.000 2.032 279 K HA -0.122 4.213 4.320 0.025 0.000 0.209 279 K C 2.173 178.787 176.600 0.024 0.000 1.048 279 K CA 1.190 57.483 56.287 0.011 0.000 0.927 279 K CB -0.547 32.015 32.500 0.102 0.000 0.712 279 K HN 0.475 nan 8.250 nan 0.000 0.441 280 G N 1.499 110.118 108.800 -0.301 0.000 2.446 280 G HA2 -0.254 3.721 3.960 0.025 0.000 0.217 280 G HA3 -0.254 3.721 3.960 0.025 0.000 0.217 280 G C 1.502 176.068 174.900 -0.556 0.000 1.168 280 G CA 0.792 45.366 45.100 -0.877 0.000 0.771 280 G HN 0.105 nan 8.290 nan 0.000 0.551 281 L N -0.946 120.078 121.223 -0.333 0.000 2.017 281 L HA 0.012 4.367 4.340 0.025 0.000 0.208 281 L C 2.561 179.538 176.870 0.178 0.000 1.073 281 L CA 1.150 56.028 54.840 0.064 0.000 0.745 281 L CB -0.461 41.706 42.059 0.179 0.000 0.894 281 L HN 0.263 nan 8.230 nan 0.000 0.432 282 F N 0.139 120.070 119.950 -0.032 0.000 2.069 282 F HA -0.283 4.260 4.527 0.026 0.000 0.298 282 F C 2.797 178.566 175.800 -0.052 0.000 1.113 282 F CA 1.778 59.734 58.000 -0.074 0.000 1.214 282 F CB -0.240 38.642 39.000 -0.197 0.000 0.978 282 F HN 0.129 nan 8.300 nan 0.000 0.474 283 H N -0.247 119.020 119.070 0.328 0.000 2.423 283 H HA 0.037 4.608 4.556 0.025 0.000 0.297 283 H C 2.343 177.768 175.328 0.161 0.000 1.075 283 H CA 1.107 57.294 56.048 0.233 0.000 1.342 283 H CB -0.788 29.127 29.762 0.255 0.000 1.395 283 H HN 0.427 nan 8.280 nan 0.000 0.530 284 A N 0.594 123.588 122.820 0.291 0.000 1.898 284 A HA -0.141 4.194 4.320 0.025 0.000 0.216 284 A C 2.591 180.441 177.584 0.444 0.000 1.181 284 A CA 1.906 54.153 52.037 0.350 0.000 0.620 284 A CB -0.797 18.396 19.000 0.321 0.000 0.819 284 A HN 0.358 nan 8.150 nan 0.000 0.442 285 T N 0.447 115.210 114.554 0.349 0.000 2.684 285 T HA -0.124 4.241 4.350 0.025 0.000 0.267 285 T C 1.802 176.578 174.700 0.126 0.000 1.036 285 T CA 1.633 63.806 62.100 0.121 0.000 1.148 285 T CB -0.416 68.353 68.868 -0.165 0.000 0.863 285 T HN 0.425 nan 8.240 nan 0.000 0.436 286 I N 0.599 121.200 120.570 0.051 0.000 2.226 286 I HA -0.159 4.026 4.170 0.025 0.000 0.245 286 I C 2.840 179.077 176.117 0.200 0.000 1.100 286 I CA 1.152 62.508 61.300 0.093 0.000 1.374 286 I CB -0.380 37.498 38.000 -0.203 0.000 1.057 286 I HN 0.146 nan 8.210 nan 0.000 0.413 287 R N 1.035 121.661 120.500 0.210 0.000 2.094 287 R HA -0.238 4.117 4.340 0.025 0.000 0.239 287 R C 1.618 178.035 176.300 0.195 0.000 1.137 287 R CA 2.477 58.706 56.100 0.216 0.000 0.943 287 R CB -0.190 30.247 30.300 0.229 0.000 0.850 287 R HN 0.318 nan 8.270 nan 0.000 0.433 288 D N -1.351 119.179 120.400 0.216 0.000 2.301 288 D HA 0.057 4.712 4.640 0.025 0.000 0.206 288 D C 1.073 177.420 176.300 0.078 0.000 0.979 288 D CA 1.203 55.302 54.000 0.166 0.000 0.874 288 D CB 0.561 41.512 40.800 0.251 0.000 0.968 288 D HN 0.415 nan 8.370 nan 0.000 0.510 289 A N -0.660 122.218 122.820 0.096 0.000 2.287 289 A HA 0.064 4.399 4.320 0.025 0.000 0.214 289 A C 0.437 178.084 177.584 0.105 0.000 1.228 289 A CA -0.451 51.630 52.037 0.073 0.000 0.939 289 A CB -0.025 18.974 19.000 -0.003 0.000 0.992 289 A HN 0.230 nan 8.150 nan 0.000 0.502 290 W N 1.203 122.444 121.300 -0.099 0.000 2.345 290 W HA 0.392 5.068 4.660 0.026 0.000 0.308 290 W C 0.442 176.837 176.519 -0.206 0.000 1.273 290 W CA -0.038 57.048 57.345 -0.433 0.000 1.243 290 W CB 0.318 29.483 29.460 -0.492 0.000 1.260 290 W HN 0.731 nan 8.180 nan 0.000 0.509 291 A N 6.604 128.720 122.820 -1.172 0.000 2.511 291 A HA -0.234 4.101 4.320 0.025 0.000 0.297 291 A C -1.591 175.795 177.584 -0.329 0.000 1.476 291 A CA 0.906 52.457 52.037 -0.810 0.000 0.757 291 A CB -1.576 16.902 19.000 -0.871 0.000 1.072 291 A HN 0.593 nan 8.150 nan 0.000 0.413 292 P HA 0.089 nan 4.420 nan 0.000 0.245 292 P C 0.183 177.433 177.300 -0.083 0.000 1.206 292 P CA 1.350 64.391 63.100 -0.099 0.000 0.781 292 P CB 0.173 31.833 31.700 -0.067 0.000 0.994 293 D N -2.076 118.253 120.400 -0.118 0.000 2.673 293 D HA 0.259 4.914 4.640 0.025 0.000 0.278 293 D C 1.099 177.344 176.300 -0.091 0.000 1.393 293 D CA -0.344 53.603 54.000 -0.089 0.000 0.805 293 D CB -0.428 40.318 40.800 -0.090 0.000 1.110 293 D HN 0.123 nan 8.370 nan 0.000 0.476 294 G N -0.753 107.989 108.800 -0.096 0.000 2.141 294 G HA2 0.133 4.108 3.960 0.025 0.000 0.242 294 G HA3 0.133 4.108 3.960 0.025 0.000 0.242 294 G C 0.263 175.107 174.900 -0.093 0.000 0.982 294 G CA -0.002 45.052 45.100 -0.076 0.000 0.662 294 G HN 1.070 nan 8.290 nan 0.000 0.527 295 A N -0.672 122.057 122.820 -0.152 0.000 2.572 295 A HA 0.687 5.022 4.320 0.025 0.000 0.295 295 A C -0.524 176.882 177.584 -0.296 0.000 1.072 295 A CA -0.273 51.665 52.037 -0.164 0.000 0.691 295 A CB 1.148 20.056 19.000 -0.153 0.000 1.291 295 A HN 0.090 nan 8.150 nan 0.000 0.404 296 D N 0.045 120.298 120.400 -0.246 0.000 2.361 296 D HA 0.511 5.166 4.640 0.025 0.000 0.239 296 D C 0.774 176.659 176.300 -0.691 0.000 1.200 296 D CA 1.959 55.666 54.000 -0.488 0.000 0.915 296 D CB 0.866 41.706 40.800 0.066 0.000 1.170 296 D HN 1.551 nan 8.370 nan 0.000 0.444 297 G N -0.705 107.159 108.800 -1.559 0.000 2.515 297 G HA2 -0.051 3.924 3.960 0.025 0.000 0.686 297 G HA3 -0.051 3.924 3.960 0.025 0.000 0.686 297 G C -1.256 173.053 174.900 -0.986 0.000 1.274 297 G CA -1.032 43.394 45.100 -1.124 0.000 0.874 297 G HN 0.261 nan 8.290 nan 0.000 0.631 298 F N 0.738 120.454 119.950 -0.391 0.000 2.415 298 F HA 0.530 5.071 4.527 0.024 0.000 0.348 298 F C 1.415 177.054 175.800 -0.268 0.000 1.119 298 F CA -0.269 57.561 58.000 -0.283 0.000 1.069 298 F CB 1.762 40.578 39.000 -0.307 0.000 1.124 298 F HN 0.580 nan 8.300 nan 0.000 0.472 299 V N 1.881 121.769 119.914 -0.043 0.000 3.319 299 V HA -0.015 4.120 4.120 0.025 0.000 0.303 299 V C 0.476 176.538 176.094 -0.054 0.000 1.094 299 V CA -0.243 62.023 62.300 -0.057 0.000 1.106 299 V CB 0.492 32.272 31.823 -0.072 0.000 1.099 299 V HN 0.838 nan 8.190 nan 0.000 0.476 300 Y N 1.767 121.973 120.300 -0.156 0.000 2.231 300 Y HA 0.217 4.782 4.550 0.025 0.000 0.294 300 Y C 1.456 177.255 175.900 -0.167 0.000 1.120 300 Y CA 0.932 58.929 58.100 -0.171 0.000 1.141 300 Y CB 0.015 38.430 38.460 -0.076 0.000 1.022 300 Y HN 1.014 nan 8.280 nan 0.000 0.523 301 S N -0.122 115.476 115.700 -0.171 0.000 2.588 301 S HA 0.711 5.196 4.470 0.025 0.000 0.275 301 S C -1.077 173.426 174.600 -0.162 0.000 1.130 301 S CA -0.200 57.845 58.200 -0.258 0.000 0.855 301 S CB 1.808 64.895 63.200 -0.189 0.000 1.116 301 S HN 0.516 nan 8.310 nan 0.000 0.472 302 V N -0.943 118.852 119.914 -0.198 0.000 3.078 302 V HA 0.830 4.965 4.120 0.025 0.000 0.311 302 V C -0.737 175.217 176.094 -0.234 0.000 1.138 302 V CA -0.997 61.223 62.300 -0.133 0.000 1.007 302 V CB 1.443 33.229 31.823 -0.062 0.000 1.045 302 V HN 1.089 nan 8.190 nan 0.000 0.432 303 D N 1.101 121.407 120.400 -0.156 0.000 2.447 303 D HA 0.187 4.842 4.640 0.025 0.000 0.265 303 D C 0.550 176.671 176.300 -0.298 0.000 1.250 303 D CA -0.523 53.310 54.000 -0.278 0.000 1.046 303 D CB 0.413 41.217 40.800 0.006 0.000 1.095 303 D HN 0.708 nan 8.370 nan 0.000 0.555 304 W N -1.192 120.141 121.300 0.054 0.000 2.825 304 W HA 0.059 4.734 4.660 0.025 0.000 0.243 304 W C 0.842 177.388 176.519 0.044 0.000 1.293 304 W CA -0.109 57.252 57.345 0.028 0.000 1.403 304 W CB 0.192 29.647 29.460 -0.009 0.000 1.134 304 W HN 0.240 nan 8.180 nan 0.000 0.666 305 D N -0.872 119.652 120.400 0.208 0.000 2.349 305 D HA 0.120 4.775 4.640 0.025 0.000 0.214 305 D C 1.939 178.317 176.300 0.130 0.000 1.063 305 D CA 1.011 55.104 54.000 0.154 0.000 0.847 305 D CB 0.282 41.156 40.800 0.123 0.000 0.933 305 D HN 0.177 nan 8.370 nan 0.000 0.513 306 G N 1.742 110.620 108.800 0.129 0.000 2.157 306 G HA2 -0.303 3.672 3.960 0.025 0.000 0.248 306 G HA3 -0.303 3.672 3.960 0.025 0.000 0.248 306 G C 0.448 175.397 174.900 0.082 0.000 0.979 306 G CA 0.119 45.301 45.100 0.137 0.000 0.650 306 G HN 0.353 nan 8.290 nan 0.000 0.529 307 K N 1.335 121.769 120.400 0.057 0.000 2.322 307 K HA 0.464 4.799 4.320 0.025 0.000 0.283 307 K C -2.197 174.410 176.600 0.012 0.000 1.042 307 K CA -1.805 54.504 56.287 0.036 0.000 0.958 307 K CB 0.836 33.360 32.500 0.041 0.000 0.984 307 K HN 0.028 nan 8.250 nan 0.000 0.473 308 P HA -0.005 nan 4.420 nan 0.000 0.268 308 P C -0.269 177.031 177.300 0.000 0.000 1.205 308 P CA 0.232 63.322 63.100 -0.017 0.000 0.771 308 P CB 0.665 32.349 31.700 -0.028 0.000 0.858 309 I N 1.137 121.712 120.570 0.008 0.000 3.744 309 I HA 0.055 4.240 4.170 0.025 0.000 0.240 309 I C 0.168 176.311 176.117 0.043 0.000 1.096 309 I CA 0.175 61.497 61.300 0.037 0.000 1.558 309 I CB -0.068 37.983 38.000 0.085 0.000 1.531 309 I HN -0.043 nan 8.210 nan 0.000 0.459 310 V N 2.958 122.920 119.914 0.079 0.000 2.389 310 V HA 0.186 4.321 4.120 0.025 0.000 0.264 310 V C 0.887 177.030 176.094 0.082 0.000 1.049 310 V CA 0.070 62.438 62.300 0.113 0.000 0.932 310 V CB 0.633 32.613 31.823 0.262 0.000 1.011 310 V HN 0.307 nan 8.190 nan 0.000 0.475 311 R N 1.720 122.235 120.500 0.026 0.000 2.300 311 R HA 0.133 4.488 4.340 0.025 0.000 0.199 311 R C 0.294 176.578 176.300 -0.027 0.000 0.920 311 R CA -0.199 55.892 56.100 -0.014 0.000 1.046 311 R CB 0.318 30.595 30.300 -0.039 0.000 0.984 311 R HN 0.641 nan 8.270 nan 0.000 0.493 312 E N 1.301 121.493 120.200 -0.013 0.000 2.481 312 E HA -0.055 4.310 4.350 0.025 0.000 0.263 312 E C -0.422 176.162 176.600 -0.026 0.000 0.992 312 E CA 0.593 56.972 56.400 -0.034 0.000 0.938 312 E CB 0.427 30.094 29.700 -0.054 0.000 0.933 312 E HN -0.142 nan 8.360 nan 0.000 0.453 313 R N 1.844 122.325 120.500 -0.032 0.000 2.287 313 R HA 0.254 4.609 4.340 0.025 0.000 0.327 313 R C -0.889 175.410 176.300 -0.002 0.000 1.109 313 R CA -0.345 55.747 56.100 -0.014 0.000 1.013 313 R CB 0.453 30.770 30.300 0.028 0.000 1.126 313 R HN 0.214 nan 8.270 nan 0.000 0.503 314 V N 3.186 123.065 119.914 -0.058 0.000 2.881 314 V HA 0.137 4.272 4.120 0.025 0.000 0.303 314 V C 1.898 177.922 176.094 -0.116 0.000 1.070 314 V CA -0.367 61.886 62.300 -0.079 0.000 1.074 314 V CB 1.416 33.168 31.823 -0.118 0.000 1.012 314 V HN 0.738 nan 8.190 nan 0.000 0.482 315 R N 2.454 122.931 120.500 -0.038 0.000 2.066 315 R HA -0.120 4.235 4.340 0.025 0.000 0.232 315 R C 2.259 178.510 176.300 -0.081 0.000 1.131 315 R CA 2.249 58.371 56.100 0.036 0.000 0.955 315 R CB -0.170 30.194 30.300 0.107 0.000 0.851 315 R HN 0.961 nan 8.270 nan 0.000 0.432 316 W N 0.800 121.973 121.300 -0.211 0.000 2.363 316 W HA -0.008 4.667 4.660 0.024 0.000 0.296 316 W C -1.362 174.987 176.519 -0.282 0.000 1.212 316 W CA 0.399 57.505 57.345 -0.398 0.000 1.260 316 W CB -1.972 26.954 29.460 -0.891 0.000 1.131 316 W HN 0.088 nan 8.180 nan 0.000 0.530 317 P HA -0.213 nan 4.420 nan 0.000 0.215 317 P C 2.131 179.065 177.300 -0.610 0.000 1.157 317 P CA 2.294 64.843 63.100 -0.919 0.000 0.874 317 P CB -0.396 30.712 31.700 -0.987 0.000 0.790 318 I N -1.162 119.186 120.570 -0.370 0.000 2.439 318 I HA -0.162 4.023 4.170 0.025 0.000 0.251 318 I C 1.788 177.781 176.117 -0.207 0.000 1.139 318 I CA 1.035 62.170 61.300 -0.274 0.000 1.438 318 I CB -0.087 37.894 38.000 -0.032 0.000 1.085 318 I HN -0.226 nan 8.210 nan 0.000 0.427 319 V N 1.194 121.052 119.914 -0.093 0.000 2.295 319 V HA -0.247 3.888 4.120 0.025 0.000 0.246 319 V C 2.486 178.606 176.094 0.044 0.000 1.049 319 V CA 1.800 64.082 62.300 -0.030 0.000 1.024 319 V CB -0.735 31.050 31.823 -0.064 0.000 0.648 319 V HN 0.429 nan 8.190 nan 0.000 0.447 320 E N 0.307 120.535 120.200 0.046 0.000 2.110 320 E HA -0.166 4.199 4.350 0.025 0.000 0.193 320 E C 2.374 178.990 176.600 0.027 0.000 0.988 320 E CA 1.443 57.915 56.400 0.121 0.000 0.804 320 E CB -0.613 29.211 29.700 0.208 0.000 0.745 320 E HN 0.570 nan 8.360 nan 0.000 0.458 321 A N 1.106 123.796 122.820 -0.217 0.000 1.908 321 A HA -0.214 4.121 4.320 0.025 0.000 0.218 321 A C 2.310 180.029 177.584 0.224 0.000 1.181 321 A CA 2.011 53.855 52.037 -0.321 0.000 0.627 321 A CB -0.574 17.729 19.000 -1.161 0.000 0.818 321 A HN 0.195 nan 8.150 nan 0.000 0.445 322 M N -0.626 119.143 119.600 0.281 0.000 2.117 322 M HA -0.072 4.423 4.480 0.025 0.000 0.262 322 M C 2.309 179.005 176.300 0.660 0.000 1.065 322 M CA 1.483 57.177 55.300 0.655 0.000 1.114 322 M CB -0.610 32.218 32.600 0.379 0.000 1.361 322 M HN 0.480 nan 8.290 nan 0.000 0.408 323 G N -0.481 108.577 108.800 0.430 0.000 2.418 323 G HA2 -0.179 3.796 3.960 0.025 0.000 0.217 323 G HA3 -0.179 3.796 3.960 0.025 0.000 0.217 323 G C 1.498 176.590 174.900 0.320 0.000 1.158 323 G CA 1.490 46.815 45.100 0.374 0.000 0.771 323 G HN 0.396 nan 8.290 nan 0.000 0.545 324 T N 1.593 116.320 114.554 0.287 0.000 2.821 324 T HA 0.095 4.460 4.350 0.025 0.000 0.267 324 T C 2.818 177.621 174.700 0.172 0.000 1.046 324 T CA 1.275 63.498 62.100 0.205 0.000 1.139 324 T CB -0.306 68.718 68.868 0.260 0.000 0.871 324 T HN 0.363 nan 8.240 nan 0.000 0.454 325 A N 0.898 123.995 122.820 0.462 0.000 1.908 325 A HA -0.144 4.191 4.320 0.025 0.000 0.218 325 A C 2.088 179.807 177.584 0.224 0.000 1.181 325 A CA 1.748 54.047 52.037 0.437 0.000 0.627 325 A CB -1.087 18.443 19.000 0.884 0.000 0.818 325 A HN 0.600 nan 8.150 nan 0.000 0.445 326 Y N 0.648 120.996 120.300 0.080 0.000 2.145 326 Y HA -0.108 4.455 4.550 0.022 0.000 0.286 326 Y C 2.631 178.325 175.900 -0.343 0.000 1.145 326 Y CA 1.430 59.269 58.100 -0.435 0.000 1.148 326 Y CB -0.640 37.583 38.460 -0.395 0.000 0.981 326 Y HN 0.302 nan 8.280 nan 0.000 0.507 327 A N 0.419 123.037 122.820 -0.337 0.000 1.902 327 A HA -0.164 4.171 4.320 0.025 0.000 0.217 327 A C 2.340 179.604 177.584 -0.534 0.000 1.181 327 A CA 1.903 53.654 52.037 -0.477 0.000 0.623 327 A CB -1.180 17.624 19.000 -0.326 0.000 0.818 327 A HN 0.576 nan 8.150 nan 0.000 0.443 328 L N -2.209 118.685 121.223 -0.548 0.000 2.056 328 L HA -0.176 4.179 4.340 0.025 0.000 0.207 328 L C 2.573 179.067 176.870 -0.627 0.000 1.078 328 L CA 1.669 56.036 54.840 -0.789 0.000 0.749 328 L CB -0.577 40.605 42.059 -1.462 0.000 0.901 328 L HN 0.612 nan 8.230 nan 0.000 0.433 329 Y N 0.809 120.808 120.300 -0.503 0.000 2.165 329 Y HA -0.312 4.251 4.550 0.022 0.000 0.286 329 Y C 2.603 178.305 175.900 -0.331 0.000 1.155 329 Y CA 2.221 60.194 58.100 -0.212 0.000 1.164 329 Y CB -0.529 37.871 38.460 -0.101 0.000 0.978 329 Y HN 0.062 nan 8.280 nan 0.000 0.513 330 T N 0.681 114.884 114.554 -0.585 0.000 2.746 330 T HA -0.175 4.190 4.350 0.025 0.000 0.267 330 T C 1.723 176.140 174.700 -0.472 0.000 1.039 330 T CA 1.726 63.470 62.100 -0.594 0.000 1.142 330 T CB -0.428 68.013 68.868 -0.712 0.000 0.866 330 T HN 0.182 nan 8.240 nan 0.000 0.444 331 L N 0.956 121.906 121.223 -0.455 0.000 2.179 331 L HA 0.051 4.406 4.340 0.025 0.000 0.208 331 L C 2.772 179.458 176.870 -0.308 0.000 1.096 331 L CA 1.484 56.091 54.840 -0.387 0.000 0.779 331 L CB -0.619 41.163 42.059 -0.462 0.000 0.922 331 L HN 0.439 nan 8.230 nan 0.000 0.443 332 T N -6.837 107.536 114.554 -0.302 0.000 2.990 332 T HA 0.063 4.428 4.350 0.025 0.000 0.249 332 T C 0.621 175.220 174.700 -0.169 0.000 1.039 332 T CA 0.329 62.327 62.100 -0.171 0.000 1.036 332 T CB 0.131 68.980 68.868 -0.032 0.000 0.994 332 T HN 0.194 nan 8.240 nan 0.000 0.489 333 D N 1.364 121.554 120.400 -0.350 0.000 3.059 333 D HA -0.129 4.526 4.640 0.025 0.000 0.220 333 D C -0.458 175.762 176.300 -0.134 0.000 1.169 333 D CA 1.311 55.062 54.000 -0.414 0.000 0.902 333 D CB -1.562 39.097 40.800 -0.233 0.000 1.116 333 D HN 0.578 nan 8.370 nan 0.000 0.417 334 D N 0.202 120.616 120.400 0.023 0.000 2.316 334 D HA 0.216 4.871 4.640 0.025 0.000 0.245 334 D C 1.204 177.660 176.300 0.260 0.000 1.171 334 D CA 0.213 54.289 54.000 0.127 0.000 0.856 334 D CB 0.888 41.765 40.800 0.128 0.000 1.090 334 D HN 0.039 nan 8.370 nan 0.000 0.476 335 S N 2.776 118.595 115.700 0.200 0.000 2.515 335 S HA -0.227 4.258 4.470 0.025 0.000 0.231 335 S C 1.695 176.299 174.600 0.007 0.000 0.987 335 S CA 0.738 59.058 58.200 0.201 0.000 0.936 335 S CB -0.381 62.876 63.200 0.095 0.000 0.766 335 S HN 0.700 nan 8.310 nan 0.000 0.528 336 Q N 0.460 120.187 119.800 -0.121 0.000 2.181 336 Q HA -0.203 4.152 4.340 0.025 0.000 0.205 336 Q C 1.536 177.440 176.000 -0.158 0.000 0.980 336 Q CA 1.531 57.191 55.803 -0.238 0.000 0.862 336 Q CB -0.968 27.605 28.738 -0.276 0.000 0.905 336 Q HN 0.723 nan 8.270 nan 0.000 0.429 337 Y N 1.187 121.582 120.300 0.158 0.000 2.242 337 Y HA -0.135 4.429 4.550 0.024 0.000 0.291 337 Y C 2.419 178.451 175.900 0.219 0.000 1.137 337 Y CA 1.302 59.518 58.100 0.194 0.000 1.181 337 Y CB -0.009 38.506 38.460 0.091 0.000 0.989 337 Y HN 0.268 nan 8.280 nan 0.000 0.527 338 E N 0.746 121.077 120.200 0.217 0.000 2.106 338 E HA -0.213 4.152 4.350 0.025 0.000 0.192 338 E C 1.727 178.137 176.600 -0.316 0.000 0.984 338 E CA 1.186 57.467 56.400 -0.200 0.000 0.806 338 E CB 0.026 29.417 29.700 -0.515 0.000 0.750 338 E HN 0.555 nan 8.360 nan 0.000 0.458 339 E N -0.307 119.704 120.200 -0.316 0.000 2.058 339 E HA -0.216 4.149 4.350 0.025 0.000 0.194 339 E C 1.750 178.013 176.600 -0.560 0.000 0.997 339 E CA 1.442 57.556 56.400 -0.476 0.000 0.801 339 E CB -0.231 29.161 29.700 -0.513 0.000 0.746 339 E HN 0.440 nan 8.360 nan 0.000 0.450 340 W N 0.038 121.047 121.300 -0.485 0.000 2.355 340 W HA -0.205 4.469 4.660 0.024 0.000 0.309 340 W C 2.301 178.254 176.519 -0.943 0.000 1.206 340 W CA 0.918 57.663 57.345 -1.000 0.000 1.284 340 W CB -0.503 28.302 29.460 -1.093 0.000 1.145 340 W HN 0.161 nan 8.180 nan 0.000 0.502 341 Y N 1.517 121.714 120.300 -0.171 0.000 2.114 341 Y HA -0.376 4.189 4.550 0.026 0.000 0.282 341 Y C 2.326 178.241 175.900 0.025 0.000 1.165 341 Y CA 2.454 60.631 58.100 0.130 0.000 1.148 341 Y CB -0.704 37.868 38.460 0.187 0.000 0.972 341 Y HN 0.056 nan 8.280 nan 0.000 0.504 342 Q N -0.002 119.596 119.800 -0.337 0.000 2.046 342 Q HA -0.200 4.155 4.340 0.025 0.000 0.200 342 Q C 2.343 178.169 176.000 -0.291 0.000 0.975 342 Q CA 1.756 57.164 55.803 -0.659 0.000 0.836 342 Q CB -0.269 27.767 28.738 -1.170 0.000 0.896 342 Q HN 0.432 nan 8.270 nan 0.000 0.428 343 K N 0.100 120.297 120.400 -0.338 0.000 2.063 343 K HA -0.191 4.144 4.320 0.025 0.000 0.208 343 K C 1.687 178.341 176.600 0.090 0.000 1.048 343 K CA 1.471 57.637 56.287 -0.202 0.000 0.928 343 K CB -0.031 32.207 32.500 -0.436 0.000 0.713 343 K HN 0.254 nan 8.250 nan 0.000 0.442 344 W N -0.057 121.270 121.300 0.045 0.000 2.381 344 W HA -0.119 4.556 4.660 0.024 0.000 0.301 344 W C 1.915 178.507 176.519 0.123 0.000 1.205 344 W CA 0.242 57.628 57.345 0.067 0.000 1.285 344 W CB -1.381 28.080 29.460 0.003 0.000 1.133 344 W HN 0.254 nan 8.180 nan 0.000 0.521 345 W N 1.098 122.539 121.300 0.236 0.000 2.335 345 W HA -0.242 4.433 4.660 0.026 0.000 0.311 345 W C 2.157 178.774 176.519 0.164 0.000 1.213 345 W CA 1.396 58.846 57.345 0.174 0.000 1.274 345 W CB -0.466 29.074 29.460 0.134 0.000 1.148 345 W HN -0.234 nan 8.180 nan 0.000 0.498 346 D N -1.236 119.411 120.400 0.412 0.000 2.123 346 D HA -0.267 4.388 4.640 0.025 0.000 0.196 346 D C 1.577 178.033 176.300 0.261 0.000 0.992 346 D CA 1.575 55.734 54.000 0.265 0.000 0.833 346 D CB -0.956 39.950 40.800 0.178 0.000 0.954 346 D HN 0.272 nan 8.370 nan 0.000 0.455 347 Y N 0.875 121.327 120.300 0.254 0.000 2.181 347 Y HA -0.248 4.316 4.550 0.024 0.000 0.288 347 Y C 2.371 178.411 175.900 0.232 0.000 1.146 347 Y CA 1.351 59.640 58.100 0.315 0.000 1.164 347 Y CB -0.335 38.426 38.460 0.501 0.000 0.982 347 Y HN -0.020 nan 8.280 nan 0.000 0.515 348 C N 0.324 119.857 119.300 0.389 0.000 2.413 348 C HA -0.202 4.273 4.460 0.025 0.000 0.276 348 C C 2.733 177.637 174.990 -0.143 0.000 1.248 348 C CA 1.433 60.503 59.018 0.087 0.000 1.742 348 C CB -1.397 26.315 27.740 -0.046 0.000 2.017 348 C HN 0.749 nan 8.230 nan 0.000 0.481 349 I N 0.493 121.072 120.570 0.015 0.000 2.439 349 I HA -0.169 4.016 4.170 0.025 0.000 0.251 349 I C 2.553 178.604 176.117 -0.110 0.000 1.139 349 I CA 1.405 62.688 61.300 -0.027 0.000 1.438 349 I CB -0.372 37.692 38.000 0.107 0.000 1.085 349 I HN 0.324 nan 8.210 nan 0.000 0.427 350 K N -0.110 120.166 120.400 -0.207 0.000 2.057 350 K HA -0.185 4.150 4.320 0.025 0.000 0.206 350 K C 1.470 177.743 176.600 -0.545 0.000 1.050 350 K CA 1.866 57.880 56.287 -0.455 0.000 0.935 350 K CB -0.044 32.014 32.500 -0.736 0.000 0.715 350 K HN 0.411 nan 8.250 nan 0.000 0.439 351 Y N -1.443 118.715 120.300 -0.237 0.000 2.526 351 Y HA 0.170 4.735 4.550 0.025 0.000 0.265 351 Y C 1.613 177.485 175.900 -0.048 0.000 1.092 351 Y CA -0.374 57.585 58.100 -0.234 0.000 1.277 351 Y CB 0.659 38.795 38.460 -0.540 0.000 1.228 351 Y HN -0.109 nan 8.280 nan 0.000 0.507 352 L N -0.780 120.468 121.223 0.041 0.000 2.467 352 L HA 0.203 4.558 4.340 0.025 0.000 0.213 352 L C 0.423 177.181 176.870 -0.188 0.000 1.053 352 L CA 0.092 54.995 54.840 0.104 0.000 0.847 352 L CB 0.156 42.295 42.059 0.134 0.000 1.075 352 L HN 0.065 nan 8.230 nan 0.000 0.479 353 M N 1.041 120.281 119.600 -0.601 0.000 2.238 353 M HA -0.012 4.483 4.480 0.025 0.000 0.350 353 M C -0.490 175.481 176.300 -0.547 0.000 1.321 353 M CA 0.524 55.279 55.300 -0.908 0.000 1.097 353 M CB 0.275 32.331 32.600 -0.906 0.000 1.713 353 M HN -0.104 nan 8.290 nan 0.000 0.455 354 D N 2.478 122.497 120.400 -0.635 0.000 2.432 354 D HA 0.176 4.831 4.640 0.025 0.000 0.265 354 D C -0.104 175.971 176.300 -0.375 0.000 1.160 354 D CA -0.218 53.444 54.000 -0.564 0.000 0.911 354 D CB 0.274 40.417 40.800 -1.096 0.000 1.052 354 D HN 0.472 nan 8.370 nan 0.000 0.508 355 Y N 1.231 121.450 120.300 -0.136 0.000 2.439 355 Y HA -0.034 4.530 4.550 0.024 0.000 0.292 355 Y C 2.038 177.909 175.900 -0.048 0.000 1.130 355 Y CA 0.742 58.797 58.100 -0.075 0.000 1.254 355 Y CB 0.442 38.877 38.460 -0.043 0.000 1.000 355 Y HN 0.384 nan 8.280 nan 0.000 0.554 356 E N -0.094 120.165 120.200 0.098 0.000 2.046 356 E HA -0.146 4.219 4.350 0.025 0.000 0.190 356 E C 1.375 178.004 176.600 0.049 0.000 0.982 356 E CA 1.107 57.557 56.400 0.082 0.000 0.800 356 E CB -0.059 29.703 29.700 0.103 0.000 0.756 356 E HN 0.509 nan 8.360 nan 0.000 0.449 357 N N -0.465 118.219 118.700 -0.028 0.000 2.368 357 N HA 0.102 4.857 4.740 0.025 0.000 0.178 357 N C 0.481 176.019 175.510 0.046 0.000 1.076 357 N CA 0.880 53.930 53.050 0.000 0.000 0.889 357 N CB 1.785 40.237 38.487 -0.058 0.000 1.040 357 N HN 0.137 nan 8.380 nan 0.000 0.463 358 G N 0.488 109.243 108.800 -0.075 0.000 2.484 358 G HA2 0.091 4.066 3.960 0.025 0.000 0.685 358 G HA3 0.091 4.066 3.960 0.025 0.000 0.685 358 G C -0.162 174.424 174.900 -0.522 0.000 1.294 358 G CA -0.172 44.890 45.100 -0.064 0.000 0.879 358 G HN 0.271 nan 8.290 nan 0.000 0.646 359 S N -1.325 114.035 115.700 -0.567 0.000 3.236 359 S HA -0.158 4.327 4.470 0.025 0.000 0.629 359 S C 0.047 174.539 174.600 -0.179 0.000 2.873 359 S CA 2.124 59.955 58.200 -0.616 0.000 3.603 359 S CB -1.043 61.252 63.200 -1.509 0.000 0.287 359 S HN 2.023 nan 8.310 nan 0.000 1.458 360 W N 0.021 120.975 121.300 -0.577 0.000 2.864 360 W HA 0.640 5.314 4.660 0.023 0.000 0.343 360 W C -0.697 175.598 176.519 -0.374 0.000 1.109 360 W CA -1.390 55.701 57.345 -0.423 0.000 1.192 360 W CB -0.187 29.151 29.460 -0.205 0.000 1.426 360 W HN 0.705 nan 8.180 nan 0.000 0.529 361 W N 1.776 123.146 121.300 0.117 0.000 2.209 361 W HA 0.082 4.757 4.660 0.026 0.000 0.344 361 W C 1.749 178.326 176.519 0.097 0.000 1.285 361 W CA 0.124 57.518 57.345 0.082 0.000 1.267 361 W CB 0.320 29.817 29.460 0.062 0.000 1.167 361 W HN 0.366 nan 8.180 nan 0.000 0.574 362 Q N 0.862 120.867 119.800 0.342 0.000 2.302 362 Q HA 0.028 4.383 4.340 0.025 0.000 0.202 362 Q C -0.203 175.889 176.000 0.153 0.000 0.936 362 Q CA 1.242 57.145 55.803 0.166 0.000 0.886 362 Q CB 0.406 29.210 28.738 0.111 0.000 0.986 362 Q HN 0.532 nan 8.270 nan 0.000 0.487 363 E N -0.589 119.726 120.200 0.191 0.000 2.354 363 E HA 0.385 4.750 4.350 0.025 0.000 0.283 363 E C -1.685 174.949 176.600 0.057 0.000 0.938 363 E CA -0.400 56.070 56.400 0.117 0.000 0.777 363 E CB 0.930 30.714 29.700 0.141 0.000 1.222 363 E HN 0.204 nan 8.360 nan 0.000 0.423 364 L N 2.389 123.621 121.223 0.016 0.000 2.341 364 L HA 0.498 4.853 4.340 0.025 0.000 0.267 364 L C 0.045 176.876 176.870 -0.063 0.000 1.009 364 L CA -1.215 53.595 54.840 -0.051 0.000 0.819 364 L CB 1.438 43.460 42.059 -0.063 0.000 1.323 364 L HN 0.625 nan 8.230 nan 0.000 0.425 365 D N 1.020 121.365 120.400 -0.091 0.000 2.380 365 D HA 0.152 4.807 4.640 0.025 0.000 0.254 365 D C 0.930 177.170 176.300 -0.101 0.000 1.288 365 D CA -0.115 53.834 54.000 -0.084 0.000 1.008 365 D CB 0.740 41.491 40.800 -0.082 0.000 1.099 365 D HN 0.567 nan 8.370 nan 0.000 0.537 366 A N -0.713 122.052 122.820 -0.093 0.000 2.216 366 A HA -0.075 4.260 4.320 0.025 0.000 0.214 366 A C 0.997 178.502 177.584 -0.133 0.000 1.160 366 A CA 0.835 52.807 52.037 -0.107 0.000 0.725 366 A CB -0.399 18.549 19.000 -0.086 0.000 0.784 366 A HN 0.505 nan 8.150 nan 0.000 0.472 367 D N 0.069 120.388 120.400 -0.135 0.000 2.424 367 D HA 0.059 4.714 4.640 0.025 0.000 0.220 367 D C -0.235 175.926 176.300 -0.232 0.000 1.150 367 D CA -0.128 53.781 54.000 -0.152 0.000 0.831 367 D CB -0.030 40.708 40.800 -0.104 0.000 0.981 367 D HN 0.305 nan 8.370 nan 0.000 0.500 368 N N 1.081 119.614 118.700 -0.279 0.000 2.741 368 N HA -0.177 4.578 4.740 0.025 0.000 0.250 368 N C -0.326 175.003 175.510 -0.303 0.000 1.115 368 N CA 0.819 53.606 53.050 -0.437 0.000 0.724 368 N CB -1.062 36.781 38.487 -1.073 0.000 1.090 368 N HN 0.399 nan 8.380 nan 0.000 0.558 369 K N 0.436 120.721 120.400 -0.192 0.000 2.138 369 K HA 0.470 4.805 4.320 0.025 0.000 0.263 369 K C 0.370 176.848 176.600 -0.204 0.000 0.965 369 K CA -0.730 55.459 56.287 -0.165 0.000 0.868 369 K CB 1.974 34.398 32.500 -0.126 0.000 1.083 369 K HN -0.162 nan 8.250 nan 0.000 0.443 370 V N 2.274 121.996 119.914 -0.321 0.000 2.644 370 V HA -0.032 4.103 4.120 0.025 0.000 0.305 370 V C 0.621 176.571 176.094 -0.240 0.000 1.053 370 V CA 0.662 62.717 62.300 -0.408 0.000 1.186 370 V CB 0.763 32.049 31.823 -0.896 0.000 0.895 370 V HN 0.826 nan 8.190 nan 0.000 0.490 371 T N 3.293 117.763 114.554 -0.140 0.000 2.841 371 T HA 0.557 4.922 4.350 0.025 0.000 0.296 371 T C -0.673 174.022 174.700 -0.008 0.000 1.166 371 T CA -0.383 61.673 62.100 -0.073 0.000 1.007 371 T CB 2.037 70.871 68.868 -0.058 0.000 1.253 371 T HN 0.702 nan 8.240 nan 0.000 0.511 372 T N 2.744 117.304 114.554 0.011 0.000 2.864 372 T HA 0.501 4.865 4.350 0.025 0.000 0.299 372 T C 0.226 174.941 174.700 0.026 0.000 1.011 372 T CA -0.646 61.487 62.100 0.055 0.000 0.975 372 T CB 1.509 70.418 68.868 0.067 0.000 0.962 372 T HN 0.617 nan 8.240 nan 0.000 0.448 373 K N 2.318 122.732 120.400 0.024 0.000 2.971 373 K HA 0.200 4.535 4.320 0.025 0.000 0.223 373 K C 1.476 178.037 176.600 -0.065 0.000 1.864 373 K CA 0.106 56.380 56.287 -0.022 0.000 1.245 373 K CB 0.095 32.573 32.500 -0.037 0.000 2.182 373 K HN 0.263 nan 8.250 nan 0.000 0.504 374 V N 0.953 120.806 119.914 -0.101 0.000 2.453 374 V HA -0.062 4.073 4.120 0.025 0.000 0.247 374 V C 0.778 176.642 176.094 -0.384 0.000 1.048 374 V CA 1.298 63.431 62.300 -0.279 0.000 1.049 374 V CB -0.314 31.260 31.823 -0.415 0.000 0.672 374 V HN 0.286 nan 8.190 nan 0.000 0.457 375 W N -1.558 119.738 121.300 -0.007 0.000 3.164 375 W HA 0.599 5.275 4.660 0.026 0.000 0.325 375 W C -0.787 175.828 176.519 0.160 0.000 1.228 375 W CA -0.403 57.008 57.345 0.109 0.000 1.024 375 W CB 0.897 30.431 29.460 0.122 0.000 1.534 375 W HN -0.231 nan 8.180 nan 0.000 0.614 376 D N 0.125 120.916 120.400 0.652 0.000 2.445 376 D HA 0.436 5.091 4.640 0.025 0.000 0.236 376 D C -0.154 176.512 176.300 0.609 0.000 1.315 376 D CA 0.896 55.177 54.000 0.467 0.000 0.924 376 D CB 0.106 41.088 40.800 0.302 0.000 1.447 376 D HN 0.636 nan 8.370 nan 0.000 0.532 377 G N 2.335 111.420 108.800 0.474 0.000 2.466 377 G HA2 -0.067 3.908 3.960 0.025 0.000 0.316 377 G HA3 -0.067 3.908 3.960 0.025 0.000 0.316 377 G C -0.730 174.361 174.900 0.318 0.000 1.270 377 G CA -0.798 44.571 45.100 0.447 0.000 0.982 377 G HN 0.287 nan 8.290 nan 0.000 0.506 378 K N 1.103 121.653 120.400 0.250 0.000 3.122 378 K HA 0.205 4.540 4.320 0.025 0.000 0.193 378 K C 1.412 178.027 176.600 0.025 0.000 1.141 378 K CA -0.233 56.121 56.287 0.112 0.000 0.975 378 K CB 0.984 33.557 32.500 0.121 0.000 1.173 378 K HN 0.532 nan 8.250 nan 0.000 0.546 379 Q N 0.220 119.873 119.800 -0.246 0.000 2.472 379 Q HA -0.054 4.301 4.340 0.025 0.000 0.208 379 Q C -0.523 175.213 176.000 -0.439 0.000 0.958 379 Q CA 1.026 56.492 55.803 -0.560 0.000 0.932 379 Q CB 0.004 27.804 28.738 -1.564 0.000 1.007 379 Q HN 0.298 nan 8.270 nan 0.000 0.508 380 D N 0.072 120.293 120.400 -0.299 0.000 2.362 380 D HA 0.378 5.033 4.640 0.025 0.000 0.247 380 D C 0.621 176.836 176.300 -0.141 0.000 1.050 380 D CA -0.625 53.246 54.000 -0.215 0.000 0.839 380 D CB 1.080 41.795 40.800 -0.142 0.000 1.283 380 D HN 0.150 nan 8.370 nan 0.000 0.477 381 I N 1.011 121.512 120.570 -0.115 0.000 4.403 381 I HA 0.217 4.402 4.170 0.025 0.000 0.331 381 I C 1.328 177.343 176.117 -0.171 0.000 1.327 381 I CA -0.545 60.663 61.300 -0.154 0.000 1.175 381 I CB -0.133 37.810 38.000 -0.095 0.000 1.165 381 I HN 0.426 nan 8.210 nan 0.000 0.413 382 Y N 2.544 122.692 120.300 -0.254 0.000 2.151 382 Y HA -0.289 4.276 4.550 0.026 0.000 0.284 382 Y C 2.534 178.183 175.900 -0.418 0.000 1.166 382 Y CA 2.002 59.936 58.100 -0.277 0.000 1.163 382 Y CB -0.655 37.634 38.460 -0.284 0.000 0.974 382 Y HN 0.175 nan 8.280 nan 0.000 0.511 383 H N 0.430 119.045 119.070 -0.758 0.000 2.421 383 H HA -0.109 4.461 4.556 0.025 0.000 0.298 383 H C 2.278 177.187 175.328 -0.699 0.000 1.087 383 H CA 1.801 57.317 56.048 -0.887 0.000 1.330 383 H CB -0.167 29.422 29.762 -0.288 0.000 1.388 383 H HN 0.442 nan 8.280 nan 0.000 0.526 384 L N 0.575 121.532 121.223 -0.444 0.000 2.191 384 L HA -0.159 4.196 4.340 0.025 0.000 0.212 384 L C 2.357 179.040 176.870 -0.310 0.000 1.103 384 L CA 0.437 55.007 54.840 -0.451 0.000 0.769 384 L CB -0.291 41.408 42.059 -0.600 0.000 0.908 384 L HN 0.210 nan 8.230 nan 0.000 0.438 385 L N -1.203 119.810 121.223 -0.350 0.000 2.353 385 L HA -0.215 4.140 4.340 0.025 0.000 0.220 385 L C 2.143 179.022 176.870 0.016 0.000 1.133 385 L CA 1.087 55.825 54.840 -0.170 0.000 0.798 385 L CB -0.848 41.135 42.059 -0.127 0.000 0.922 385 L HN 0.434 nan 8.230 nan 0.000 0.445 386 H N -0.975 118.065 119.070 -0.050 0.000 2.502 386 H HA -0.081 4.489 4.556 0.024 0.000 0.283 386 H C 2.243 177.651 175.328 0.134 0.000 1.015 386 H CA 1.006 57.080 56.048 0.042 0.000 1.298 386 H CB 0.197 29.975 29.762 0.026 0.000 1.411 386 H HN 0.589 nan 8.280 nan 0.000 0.556 387 C N -1.073 118.367 119.300 0.233 0.000 3.065 387 C HA 0.334 4.809 4.460 0.025 0.000 0.285 387 C C 1.825 177.123 174.990 0.513 0.000 1.257 387 C CA -0.559 58.678 59.018 0.364 0.000 1.691 387 C CB -0.700 27.154 27.740 0.190 0.000 2.089 387 C HN 0.378 nan 8.230 nan 0.000 0.630 388 L N 0.589 121.995 121.223 0.305 0.000 2.388 388 L HA 0.198 4.553 4.340 0.025 0.000 0.209 388 L C 2.417 179.370 176.870 0.138 0.000 1.061 388 L CA 0.666 55.665 54.840 0.265 0.000 0.834 388 L CB 0.027 42.138 42.059 0.086 0.000 1.029 388 L HN 0.199 nan 8.230 nan 0.000 0.473 389 V N -1.032 118.938 119.914 0.094 0.000 3.013 389 V HA 0.028 4.163 4.120 0.025 0.000 0.238 389 V C 2.138 178.265 176.094 0.054 0.000 1.161 389 V CA 0.274 62.610 62.300 0.060 0.000 1.170 389 V CB 0.446 32.300 31.823 0.052 0.000 0.917 389 V HN 0.161 nan 8.190 nan 0.000 0.478 390 I N 1.249 121.874 120.570 0.092 0.000 2.145 390 I HA -0.195 3.990 4.170 0.025 0.000 0.244 390 I C -0.518 175.437 176.117 -0.269 0.000 1.075 390 I CA 1.992 63.329 61.300 0.061 0.000 1.332 390 I CB -1.248 36.865 38.000 0.189 0.000 1.033 390 I HN 0.363 nan 8.210 nan 0.000 0.410 391 P HA -0.085 nan 4.420 nan 0.000 0.239 391 P C 0.863 177.823 177.300 -0.567 0.000 1.184 391 P CA 1.126 63.544 63.100 -1.137 0.000 0.760 391 P CB -0.106 31.426 31.700 -0.280 0.000 0.884 392 R N -1.453 118.931 120.500 -0.193 0.000 2.362 392 R HA 0.298 4.653 4.340 0.025 0.000 0.227 392 R C 0.364 176.691 176.300 0.044 0.000 0.905 392 R CA 0.020 56.113 56.100 -0.013 0.000 1.067 392 R CB 0.195 30.513 30.300 0.030 0.000 1.078 392 R HN 0.232 nan 8.270 nan 0.000 0.516 393 L N 0.599 121.853 121.223 0.051 0.000 2.333 393 L HA 0.525 4.880 4.340 0.025 0.000 0.263 393 L C -2.399 174.608 176.870 0.228 0.000 1.014 393 L CA -2.681 52.238 54.840 0.132 0.000 0.820 393 L CB 1.931 44.064 42.059 0.123 0.000 1.352 393 L HN -0.233 nan 8.230 nan 0.000 0.421 394 P HA 0.118 nan 4.420 nan 0.000 0.271 394 P C 0.478 177.892 177.300 0.191 0.000 1.244 394 P CA -0.267 62.927 63.100 0.156 0.000 0.793 394 P CB 0.619 32.380 31.700 0.100 0.000 0.984 395 L N -0.965 120.341 121.223 0.138 0.000 2.418 395 L HA 0.193 4.548 4.340 0.025 0.000 0.218 395 L C 1.016 178.046 176.870 0.267 0.000 1.125 395 L CA 0.560 55.520 54.840 0.200 0.000 0.835 395 L CB -0.365 41.678 42.059 -0.028 0.000 0.953 395 L HN 0.335 nan 8.230 nan 0.000 0.454 396 A N 0.168 123.079 122.820 0.152 0.000 2.393 396 A HA 0.711 5.046 4.320 0.025 0.000 0.306 396 A C -2.408 175.240 177.584 0.108 0.000 1.050 396 A CA -1.196 50.922 52.037 0.135 0.000 0.724 396 A CB 0.956 20.015 19.000 0.099 0.000 1.248 396 A HN -0.175 nan 8.150 nan 0.000 0.424 397 P HA 0.365 nan 4.420 nan 0.000 0.277 397 P C 0.712 178.074 177.300 0.103 0.000 1.276 397 P CA 0.040 63.218 63.100 0.129 0.000 0.788 397 P CB 0.334 32.103 31.700 0.116 0.000 1.114 398 G N -0.734 108.104 108.800 0.064 0.000 2.683 398 G HA2 0.121 4.096 3.960 0.025 0.000 0.260 398 G HA3 0.121 4.096 3.960 0.025 0.000 0.260 398 G C 0.865 175.771 174.900 0.011 0.000 1.238 398 G CA -0.421 44.661 45.100 -0.031 0.000 0.934 398 G HN 0.536 nan 8.290 nan 0.000 0.534 399 L N 0.897 122.118 121.223 -0.004 0.000 1.965 399 L HA -0.192 4.163 4.340 0.025 0.000 0.226 399 L C 2.997 179.909 176.870 0.070 0.000 1.083 399 L CA 3.303 58.187 54.840 0.073 0.000 0.790 399 L CB -1.068 41.080 42.059 0.148 0.000 0.898 399 L HN 0.584 nan 8.230 nan 0.000 0.439 400 A N -0.641 122.226 122.820 0.079 0.000 1.873 400 A HA -0.056 4.279 4.320 0.025 0.000 0.215 400 A C 0.177 177.778 177.584 0.027 0.000 1.186 400 A CA 1.677 53.732 52.037 0.030 0.000 0.616 400 A CB -2.077 16.935 19.000 0.021 0.000 0.823 400 A HN 0.506 nan 8.150 nan 0.000 0.442 401 P HA -0.155 nan 4.420 nan 0.000 0.216 401 P C 1.704 179.025 177.300 0.036 0.000 1.153 401 P CA 2.052 65.165 63.100 0.022 0.000 0.858 401 P CB -0.105 31.606 31.700 0.018 0.000 0.789 402 A N -0.777 122.073 122.820 0.050 0.000 1.930 402 A HA -0.129 4.206 4.320 0.025 0.000 0.217 402 A C 2.312 179.928 177.584 0.053 0.000 1.175 402 A CA 1.637 53.710 52.037 0.060 0.000 0.627 402 A CB -1.647 17.400 19.000 0.078 0.000 0.815 402 A HN 0.025 nan 8.150 nan 0.000 0.443 403 V N -0.007 119.936 119.914 0.048 0.000 2.295 403 V HA -0.249 3.886 4.120 0.025 0.000 0.246 403 V C 3.051 179.166 176.094 0.035 0.000 1.049 403 V CA 1.888 64.214 62.300 0.044 0.000 1.024 403 V CB -1.305 30.542 31.823 0.040 0.000 0.648 403 V HN 0.597 nan 8.190 nan 0.000 0.447 404 A N 0.071 122.908 122.820 0.028 0.000 1.978 404 A HA -0.128 4.207 4.320 0.025 0.000 0.220 404 A C 2.297 179.896 177.584 0.025 0.000 1.170 404 A CA 2.040 54.091 52.037 0.023 0.000 0.636 404 A CB -0.646 18.366 19.000 0.019 0.000 0.810 404 A HN 0.612 nan 8.150 nan 0.000 0.448 405 A N -1.928 120.911 122.820 0.031 0.000 2.167 405 A HA 0.388 4.723 4.320 0.025 0.000 0.214 405 A C 1.809 179.415 177.584 0.035 0.000 1.151 405 A CA 1.294 53.351 52.037 0.033 0.000 0.735 405 A CB -0.865 18.160 19.000 0.041 0.000 0.802 405 A HN 1.954 nan 8.150 nan 0.000 0.467 406 G N -1.256 107.566 108.800 0.037 0.000 2.142 406 G HA2 -0.205 3.770 3.960 0.025 0.000 0.225 406 G HA3 -0.205 3.770 3.960 0.025 0.000 0.225 406 G C 0.495 175.422 174.900 0.045 0.000 1.015 406 G CA 0.319 45.441 45.100 0.038 0.000 0.716 406 G HN 0.457 nan 8.290 nan 0.000 0.508 407 L N -0.074 121.180 121.223 0.052 0.000 2.591 407 L HA 0.322 4.677 4.340 0.025 0.000 0.228 407 L C 1.678 178.588 176.870 0.066 0.000 1.133 407 L CA -0.217 54.660 54.840 0.060 0.000 0.880 407 L CB -0.016 42.083 42.059 0.067 0.000 1.033 407 L HN 0.260 nan 8.230 nan 0.000 0.450 408 L N 1.553 122.812 121.223 0.060 0.000 2.601 408 L HA -0.111 4.244 4.340 0.025 0.000 0.277 408 L C 0.501 177.409 176.870 0.064 0.000 1.219 408 L CA 0.368 55.244 54.840 0.061 0.000 0.915 408 L CB 0.049 42.141 42.059 0.053 0.000 1.160 408 L HN 0.338 nan 8.230 nan 0.000 0.494 409 D N 1.674 122.118 120.400 0.073 0.000 3.079 409 D HA -0.269 4.386 4.640 0.025 0.000 0.214 409 D C 1.066 177.419 176.300 0.087 0.000 1.145 409 D CA 1.109 55.159 54.000 0.084 0.000 0.958 409 D CB -0.921 39.923 40.800 0.072 0.000 1.117 409 D HN 0.569 nan 8.370 nan 0.000 0.416 410 I N 0.980 121.601 120.570 0.085 0.000 2.264 410 I HA -0.233 3.952 4.170 0.025 0.000 0.248 410 I C 1.504 177.674 176.117 0.088 0.000 1.111 410 I CA 1.702 63.049 61.300 0.079 0.000 1.382 410 I CB 0.024 38.068 38.000 0.073 0.000 1.060 410 I HN 0.012 nan 8.210 nan 0.000 0.418 411 N N 0.939 119.705 118.700 0.110 0.000 2.398 411 N HA 0.199 4.954 4.740 0.025 0.000 0.188 411 N C 0.355 175.948 175.510 0.138 0.000 1.122 411 N CA 0.676 53.798 53.050 0.121 0.000 0.866 411 N CB -0.145 38.428 38.487 0.144 0.000 0.970 411 N HN 0.424 nan 8.380 nan 0.000 0.462 419 H N 0.240 119.353 119.070 0.072 0.000 2.548 419 H HA 0.244 4.813 4.556 0.022 0.000 0.265 419 H C 0.457 175.823 175.328 0.063 0.000 0.969 419 H CA 0.672 56.766 56.048 0.077 0.000 1.155 419 H CB 0.045 29.882 29.762 0.125 0.000 1.394 419 H HN 0.640 nan 8.280 nan 0.000 0.570 420 H N -2.473 116.406 119.070 -0.318 0.000 2.990 420 H HA 0.407 4.979 4.556 0.028 0.000 0.336 420 H C -1.039 174.110 175.328 -0.298 0.000 1.306 420 H CA -1.174 54.700 56.048 -0.291 0.000 1.118 420 H CB 0.870 30.428 29.762 -0.339 0.000 1.856 420 H HN 0.091 nan 8.280 nan 0.000 0.538 421 H N 0.000 119.159 119.070 0.149 0.000 2.539 421 H HA 0.000 4.572 4.556 0.026 0.000 0.296 421 H CA 0.000 56.105 56.048 0.096 0.000 1.023 421 H CB 0.000 29.799 29.762 0.062 0.000 1.292 421 H HN 0.000 nan 8.280 nan 0.000 0.496