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_A 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 0.000 176.170 176.300 -0.217 0.000 1.140 1 M CA 0.000 55.215 55.300 -0.142 0.000 0.988 1 M CB 0.000 32.479 32.600 -0.202 0.000 1.302 2 K N 3.287 123.621 120.400 -0.110 0.000 2.265 2 K HA 0.512 4.847 4.320 0.024 0.000 0.267 2 K C -0.979 175.666 176.600 0.075 0.000 0.994 2 K CA 0.031 56.200 56.287 -0.196 0.000 0.860 2 K CB 0.838 33.014 32.500 -0.540 0.000 1.099 2 K HN 0.679 nan 8.250 nan 0.000 0.448 3 W N 3.042 124.126 121.300 -0.359 0.000 3.638 3 W HA 0.281 4.954 4.660 0.023 0.000 0.226 3 W C -0.250 176.180 176.519 -0.148 0.000 1.065 3 W CA -0.453 56.683 57.345 -0.349 0.000 1.751 3 W CB -0.514 28.535 29.460 -0.685 0.000 0.873 3 W HN 0.379 nan 8.180 nan 0.000 0.786 4 F N 2.862 122.828 119.950 0.028 0.000 2.629 4 F HA -0.018 4.522 4.527 0.021 0.000 0.377 4 F C 1.216 177.083 175.800 0.111 0.000 1.101 4 F CA 0.354 58.370 58.000 0.028 0.000 1.301 4 F CB -0.893 37.985 39.000 -0.203 0.000 1.062 4 F HN 0.159 nan 8.300 nan 0.000 0.583 5 N N -1.064 117.879 118.700 0.405 0.000 2.747 5 N HA -0.186 4.569 4.740 0.024 0.000 0.249 5 N C -0.661 174.995 175.510 0.243 0.000 1.107 5 N CA 0.716 53.940 53.050 0.289 0.000 0.707 5 N CB -1.255 37.396 38.487 0.273 0.000 1.054 5 N HN 0.715 nan 8.380 nan 0.000 0.555 6 T N -2.780 111.926 114.554 0.252 0.000 2.829 6 T HA 0.559 4.923 4.350 0.024 0.000 0.280 6 T C 1.105 175.915 174.700 0.184 0.000 0.999 6 T CA -1.033 61.201 62.100 0.224 0.000 0.983 6 T CB 1.832 70.836 68.868 0.226 0.000 0.968 6 T HN 0.099 nan 8.240 nan 0.000 0.446 7 L N 2.310 123.616 121.223 0.139 0.000 2.131 7 L HA -0.103 4.252 4.340 0.024 0.000 0.210 7 L C 3.069 179.982 176.870 0.072 0.000 1.092 7 L CA 1.580 56.477 54.840 0.095 0.000 0.759 7 L CB -0.660 41.442 42.059 0.071 0.000 0.903 7 L HN 0.928 nan 8.230 nan 0.000 0.435 8 S N -1.194 114.549 115.700 0.071 0.000 2.356 8 S HA -0.302 4.183 4.470 0.024 0.000 0.223 8 S C 1.938 176.549 174.600 0.017 0.000 1.032 8 S CA 1.476 59.695 58.200 0.032 0.000 1.005 8 S CB -0.664 62.543 63.200 0.011 0.000 0.867 8 S HN 0.526 nan 8.310 nan 0.000 0.449 9 H N 2.529 121.549 119.070 -0.083 0.000 2.357 9 H HA 0.095 4.664 4.556 0.022 0.000 0.301 9 H C 1.889 177.231 175.328 0.024 0.000 1.082 9 H CA 1.954 57.911 56.048 -0.152 0.000 1.342 9 H CB -0.593 29.072 29.762 -0.161 0.000 1.389 9 H HN 0.335 nan 8.280 nan 0.000 0.511 10 N N 0.297 119.000 118.700 0.005 0.000 2.223 10 N HA -0.098 4.657 4.740 0.024 0.000 0.185 10 N C 1.906 177.389 175.510 -0.046 0.000 1.016 10 N CA 0.946 53.982 53.050 -0.024 0.000 0.863 10 N CB -0.200 38.329 38.487 0.069 0.000 0.983 10 N HN 0.389 nan 8.380 nan 0.000 0.429 11 R N -0.883 119.605 120.500 -0.020 0.000 2.081 11 R HA -0.127 4.228 4.340 0.024 0.000 0.235 11 R C 1.961 178.221 176.300 -0.067 0.000 1.131 11 R CA 1.211 57.292 56.100 -0.032 0.000 0.960 11 R CB -0.399 29.896 30.300 -0.008 0.000 0.856 11 R HN 0.346 nan 8.270 nan 0.000 0.436 12 W N 1.514 122.668 121.300 -0.244 0.000 2.338 12 W HA -0.178 4.494 4.660 0.020 0.000 0.304 12 W C 1.641 177.975 176.519 -0.308 0.000 1.212 12 W CA 1.402 58.572 57.345 -0.292 0.000 1.264 12 W CB -0.234 28.986 29.460 -0.400 0.000 1.142 12 W HN -0.017 nan 8.180 nan 0.000 0.512 13 L N 0.072 121.229 121.223 -0.109 0.000 2.017 13 L HA -0.240 4.114 4.340 0.024 0.000 0.208 13 L C 2.505 179.250 176.870 -0.209 0.000 1.073 13 L CA 2.038 56.797 54.840 -0.135 0.000 0.745 13 L CB -1.111 40.914 42.059 -0.057 0.000 0.894 13 L HN 0.058 nan 8.230 nan 0.000 0.432 14 E N -0.032 120.069 120.200 -0.166 0.000 2.085 14 E HA -0.279 4.085 4.350 0.024 0.000 0.194 14 E C 2.219 178.689 176.600 -0.218 0.000 0.994 14 E CA 1.407 57.716 56.400 -0.151 0.000 0.801 14 E CB 0.056 29.708 29.700 -0.079 0.000 0.743 14 E HN 0.503 nan 8.360 nan 0.000 0.453 15 Q N -0.069 119.562 119.800 -0.281 0.000 2.084 15 Q HA -0.215 4.139 4.340 0.024 0.000 0.202 15 Q C 2.099 177.881 176.000 -0.365 0.000 0.978 15 Q CA 1.521 57.145 55.803 -0.298 0.000 0.844 15 Q CB -0.074 28.468 28.738 -0.327 0.000 0.898 15 Q HN 0.158 nan 8.270 nan 0.000 0.426 16 E N 0.359 120.224 120.200 -0.558 0.000 2.106 16 E HA -0.141 4.223 4.350 0.024 0.000 0.192 16 E C 1.756 178.171 176.600 -0.309 0.000 0.984 16 E CA 1.776 57.897 56.400 -0.465 0.000 0.806 16 E CB -0.213 29.095 29.700 -0.654 0.000 0.750 16 E HN 0.231 nan 8.360 nan 0.000 0.458 17 T N 1.095 115.440 114.554 -0.350 0.000 2.684 17 T HA -0.165 4.199 4.350 0.024 0.000 0.267 17 T C 1.275 175.586 174.700 -0.649 0.000 1.036 17 T CA 1.499 63.277 62.100 -0.537 0.000 1.148 17 T CB -0.461 68.090 68.868 -0.528 0.000 0.863 17 T HN 0.220 nan 8.240 nan 0.000 0.436 18 D N 0.520 120.722 120.400 -0.330 0.000 2.144 18 D HA -0.068 4.586 4.640 0.024 0.000 0.199 18 D C 2.287 178.566 176.300 -0.035 0.000 0.984 18 D CA 0.832 54.780 54.000 -0.087 0.000 0.834 18 D CB -0.270 40.529 40.800 -0.001 0.000 0.955 18 D HN 0.297 nan 8.370 nan 0.000 0.465 19 R N 0.243 120.690 120.500 -0.088 0.000 2.105 19 R HA -0.128 4.227 4.340 0.024 0.000 0.239 19 R C 2.122 178.428 176.300 0.010 0.000 1.135 19 R CA 0.820 56.909 56.100 -0.019 0.000 0.967 19 R CB -0.009 30.269 30.300 -0.036 0.000 0.861 19 R HN 0.100 nan 8.270 nan 0.000 0.442 20 I N 0.213 120.721 120.570 -0.104 0.000 2.233 20 I HA -0.220 3.964 4.170 0.024 0.000 0.243 20 I C 2.017 178.185 176.117 0.085 0.000 1.093 20 I CA 1.180 62.425 61.300 -0.093 0.000 1.380 20 I CB -1.284 36.551 38.000 -0.275 0.000 1.067 20 I HN 0.068 nan 8.210 nan 0.000 0.413 21 F N 1.872 121.834 119.950 0.021 0.000 2.120 21 F HA -0.226 4.315 4.527 0.022 0.000 0.300 21 F C 2.398 178.326 175.800 0.214 0.000 1.095 21 F CA 1.073 59.129 58.000 0.092 0.000 1.249 21 F CB -1.576 37.477 39.000 0.087 0.000 0.995 21 F HN 0.217 nan 8.300 nan 0.000 0.480 22 N N -0.307 118.598 118.700 0.341 0.000 2.120 22 N HA -0.213 4.542 4.740 0.024 0.000 0.188 22 N C 1.896 177.541 175.510 0.226 0.000 1.024 22 N CA 1.064 54.256 53.050 0.237 0.000 0.852 22 N CB -0.998 37.589 38.487 0.166 0.000 1.003 22 N HN 0.252 nan 8.380 nan 0.000 0.424 23 F N 1.315 121.326 119.950 0.100 0.000 2.134 23 F HA -0.041 4.501 4.527 0.024 0.000 0.299 23 F C 2.221 178.082 175.800 0.103 0.000 1.097 23 F CA 1.607 59.649 58.000 0.070 0.000 1.264 23 F CB -0.572 38.443 39.000 0.025 0.000 1.001 23 F HN 0.056 nan 8.300 nan 0.000 0.479 24 G N -0.182 108.806 108.800 0.313 0.000 2.471 24 G HA2 -0.212 3.762 3.960 0.024 0.000 0.219 24 G HA3 -0.212 3.762 3.960 0.024 0.000 0.219 24 G C 1.649 176.660 174.900 0.185 0.000 1.125 24 G CA 0.467 45.731 45.100 0.274 0.000 0.775 24 G HN 0.328 nan 8.290 nan 0.000 0.548 25 K N 0.692 121.164 120.400 0.120 0.000 2.209 25 K HA -0.045 4.290 4.320 0.024 0.000 0.204 25 K C 1.843 178.407 176.600 -0.061 0.000 1.048 25 K CA 0.875 57.145 56.287 -0.029 0.000 0.940 25 K CB -0.130 32.343 32.500 -0.045 0.000 0.729 25 K HN 0.295 nan 8.250 nan 0.000 0.451 26 N N 0.851 119.495 118.700 -0.094 0.000 2.550 26 N HA -0.078 4.676 4.740 0.024 0.000 0.186 26 N C 1.363 176.825 175.510 -0.079 0.000 1.110 26 N CA 0.571 53.547 53.050 -0.123 0.000 0.912 26 N CB 0.148 38.512 38.487 -0.205 0.000 0.968 26 N HN 0.176 nan 8.380 nan 0.000 0.448 27 A N 0.786 123.606 122.820 -0.000 0.000 2.208 27 A HA 0.082 4.416 4.320 0.024 0.000 0.209 27 A C 1.036 178.641 177.584 0.036 0.000 1.161 27 A CA -0.006 52.086 52.037 0.091 0.000 0.782 27 A CB 0.049 19.187 19.000 0.229 0.000 0.816 27 A HN 0.001 nan 8.150 nan 0.000 0.477 28 V N 1.630 121.467 119.914 -0.128 0.000 2.540 28 V HA 0.255 4.389 4.120 0.024 0.000 0.297 28 V C 0.367 176.283 176.094 -0.298 0.000 1.024 28 V CA 0.511 62.537 62.300 -0.456 0.000 1.105 28 V CB 0.261 31.727 31.823 -0.595 0.000 0.938 28 V HN 0.458 nan 8.190 nan 0.000 0.482 29 V N 3.444 123.209 119.914 -0.250 0.000 3.102 29 V HA 0.570 4.704 4.120 0.024 0.000 0.312 29 V C -2.166 173.927 176.094 -0.001 0.000 1.135 29 V CA -2.052 60.191 62.300 -0.096 0.000 1.022 29 V CB 1.721 33.528 31.823 -0.026 0.000 1.056 29 V HN 0.485 nan 8.190 nan 0.000 0.436 30 P HA -0.131 nan 4.420 nan 0.000 0.217 30 P C 1.318 178.633 177.300 0.025 0.000 1.151 30 P CA 2.530 65.661 63.100 0.052 0.000 0.849 30 P CB -0.052 31.656 31.700 0.013 0.000 0.787 31 T N -5.736 108.820 114.554 0.004 0.000 3.086 31 T HA 0.533 4.898 4.350 0.024 0.000 0.250 31 T C 0.948 175.622 174.700 -0.044 0.000 1.074 31 T CA 0.306 62.396 62.100 -0.016 0.000 0.988 31 T CB 0.163 69.042 68.868 0.019 0.000 0.988 31 T HN 0.271 nan 8.240 nan 0.000 0.530 32 G N 1.008 109.764 108.800 -0.072 0.000 2.350 32 G HA2 0.287 4.261 3.960 0.024 0.000 0.085 32 G HA3 0.287 4.261 3.960 0.024 0.000 0.085 32 G C -1.751 173.031 174.900 -0.197 0.000 1.159 32 G CA -0.985 44.056 45.100 -0.098 0.000 1.146 32 G HN 0.255 nan 8.290 nan 0.000 0.449 33 F N 1.920 121.919 119.950 0.082 0.000 2.518 33 F HA 0.670 5.212 4.527 0.024 0.000 0.323 33 F C 0.967 176.788 175.800 0.036 0.000 1.129 33 F CA 0.159 58.189 58.000 0.050 0.000 0.920 33 F CB 2.241 41.248 39.000 0.011 0.000 1.160 33 F HN 0.720 nan 8.300 nan 0.000 0.440 34 G N 1.083 109.996 108.800 0.189 0.000 2.510 34 G HA2 0.118 4.093 3.960 0.024 0.000 0.280 34 G HA3 0.118 4.093 3.960 0.024 0.000 0.280 34 G C -1.716 173.317 174.900 0.220 0.000 1.386 34 G CA -0.408 44.809 45.100 0.196 0.000 1.047 34 G HN 0.657 nan 8.290 nan 0.000 0.527 35 W N 1.182 122.513 121.300 0.051 0.000 2.294 35 W HA 0.534 5.209 4.660 0.025 0.000 0.314 35 W C -0.959 175.592 176.519 0.055 0.000 1.044 35 W CA -1.032 56.333 57.345 0.033 0.000 1.284 35 W CB 0.346 29.843 29.460 0.060 0.000 1.231 35 W HN 0.175 nan 8.180 nan 0.000 0.419 36 L N 6.238 127.584 121.223 0.204 0.000 2.380 36 L HA 0.388 4.743 4.340 0.024 0.000 0.273 36 L C 1.235 178.317 176.870 0.354 0.000 1.138 36 L CA -0.115 54.848 54.840 0.205 0.000 0.832 36 L CB 0.427 42.533 42.059 0.079 0.000 1.124 36 L HN 0.464 nan 8.230 nan 0.000 0.454 37 G N 1.429 110.418 108.800 0.315 0.000 2.532 37 G HA2 0.114 4.088 3.960 0.024 0.000 0.291 37 G HA3 0.114 4.088 3.960 0.024 0.000 0.291 37 G C 0.452 175.568 174.900 0.361 0.000 1.349 37 G CA -0.509 44.794 45.100 0.339 0.000 1.038 37 G HN 0.786 nan 8.290 nan 0.000 0.518 38 N N -0.616 118.288 118.700 0.339 0.000 2.443 38 N HA -0.067 4.687 4.740 0.024 0.000 0.184 38 N C 1.263 176.976 175.510 0.339 0.000 1.037 38 N CA 0.485 53.759 53.050 0.373 0.000 0.896 38 N CB 0.156 38.897 38.487 0.423 0.000 0.959 38 N HN 0.111 nan 8.380 nan 0.000 0.442 39 K N -0.394 120.177 120.400 0.285 0.000 2.358 39 K HA 0.200 4.535 4.320 0.024 0.000 0.197 39 K C 0.864 177.575 176.600 0.184 0.000 1.025 39 K CA 0.109 56.533 56.287 0.229 0.000 1.104 39 K CB 0.757 33.350 32.500 0.155 0.000 0.855 39 K HN 0.177 nan 8.250 nan 0.000 0.531 40 G N 2.717 111.615 108.800 0.164 0.000 2.143 40 G HA2 -0.265 3.709 3.960 0.024 0.000 0.248 40 G HA3 -0.265 3.709 3.960 0.024 0.000 0.248 40 G C 0.072 174.847 174.900 -0.207 0.000 0.991 40 G CA 0.494 45.362 45.100 -0.386 0.000 0.689 40 G HN 0.402 nan 8.290 nan 0.000 0.522 41 Q N 0.563 120.352 119.800 -0.019 0.000 2.259 41 Q HA 0.577 4.932 4.340 0.024 0.000 0.246 41 Q C 0.292 176.320 176.000 0.047 0.000 0.920 41 Q CA -0.782 55.026 55.803 0.010 0.000 0.895 41 Q CB 1.255 30.023 28.738 0.051 0.000 1.220 41 Q HN 0.464 nan 8.270 nan 0.000 0.439 42 I N 2.232 122.826 120.570 0.040 0.000 2.533 42 I HA 0.028 4.213 4.170 0.024 0.000 0.284 42 I C 0.481 176.660 176.117 0.102 0.000 1.109 42 I CA 0.085 61.435 61.300 0.083 0.000 1.412 42 I CB 0.390 38.422 38.000 0.055 0.000 1.396 42 I HN 0.359 nan 8.210 nan 0.000 0.543 43 K N 7.184 127.678 120.400 0.155 0.000 2.183 43 K HA 0.108 4.442 4.320 0.024 0.000 0.272 43 K C 0.611 177.247 176.600 0.061 0.000 1.113 43 K CA -0.336 56.006 56.287 0.092 0.000 0.949 43 K CB 0.655 33.191 32.500 0.059 0.000 1.365 43 K HN 0.479 nan 8.250 nan 0.000 0.420 44 E N 1.969 122.195 120.200 0.044 0.000 2.160 44 E HA -0.222 4.142 4.350 0.024 0.000 0.195 44 E C 1.600 178.212 176.600 0.020 0.000 0.991 44 E CA 1.120 57.542 56.400 0.037 0.000 0.810 44 E CB 0.239 29.953 29.700 0.024 0.000 0.742 44 E HN 0.619 nan 8.360 nan 0.000 0.466 45 E N 0.523 120.717 120.200 -0.010 0.000 2.409 45 E HA -0.149 4.215 4.350 0.024 0.000 0.198 45 E C 1.479 178.052 176.600 -0.044 0.000 1.024 45 E CA 0.652 57.034 56.400 -0.030 0.000 0.861 45 E CB -0.102 29.570 29.700 -0.046 0.000 0.788 45 E HN 0.180 nan 8.360 nan 0.000 0.521 46 M N 0.595 120.164 119.600 -0.052 0.000 2.514 46 M HA 0.193 4.688 4.480 0.024 0.000 0.258 46 M C 1.310 177.723 176.300 0.187 0.000 1.119 46 M CA 0.915 56.200 55.300 -0.025 0.000 1.111 46 M CB -0.804 31.627 32.600 -0.283 0.000 1.390 46 M HN 0.227 nan 8.290 nan 0.000 0.475 47 G N 0.828 109.702 108.800 0.124 0.000 2.645 47 G HA2 -0.223 3.751 3.960 0.024 0.000 0.246 47 G HA3 -0.223 3.751 3.960 0.024 0.000 0.246 47 G C -0.373 174.641 174.900 0.190 0.000 1.322 47 G CA -0.112 45.050 45.100 0.103 0.000 0.898 47 G HN 0.322 nan 8.290 nan 0.000 0.573 48 T N 1.220 115.836 114.554 0.104 0.000 2.801 48 T HA 0.570 4.934 4.350 0.024 0.000 0.306 48 T C -0.202 174.552 174.700 0.090 0.000 1.020 48 T CA -0.187 61.994 62.100 0.135 0.000 0.948 48 T CB 0.809 69.732 68.868 0.091 0.000 0.962 48 T HN 0.639 nan 8.240 nan 0.000 0.465 49 H N 1.896 121.018 119.070 0.087 0.000 2.525 49 H HA 0.274 4.845 4.556 0.024 0.000 0.339 49 H C 1.049 176.384 175.328 0.011 0.000 1.109 49 H CA -0.876 55.216 56.048 0.074 0.000 1.352 49 H CB 1.081 30.814 29.762 -0.049 0.000 1.461 49 H HN 0.350 nan 8.280 nan 0.000 0.533 50 L N 3.665 125.016 121.223 0.214 0.000 2.012 50 L HA -0.164 4.191 4.340 0.024 0.000 0.210 50 L C 1.989 178.909 176.870 0.083 0.000 1.073 50 L CA 1.526 56.443 54.840 0.128 0.000 0.748 50 L CB -0.604 41.542 42.059 0.145 0.000 0.891 50 L HN 0.824 nan 8.230 nan 0.000 0.431 51 W N -0.301 121.016 121.300 0.028 0.000 2.363 51 W HA -0.155 4.519 4.660 0.023 0.000 0.296 51 W C 2.069 178.448 176.519 -0.234 0.000 1.212 51 W CA 1.121 58.391 57.345 -0.125 0.000 1.260 51 W CB -1.404 28.000 29.460 -0.094 0.000 1.131 51 W HN 0.209 nan 8.180 nan 0.000 0.530 52 I N 1.541 121.675 120.570 -0.727 0.000 2.233 52 I HA -0.244 3.940 4.170 0.024 0.000 0.243 52 I C 2.626 178.547 176.117 -0.327 0.000 1.093 52 I CA 2.042 62.915 61.300 -0.711 0.000 1.380 52 I CB -0.946 36.595 38.000 -0.765 0.000 1.067 52 I HN -0.111 nan 8.210 nan 0.000 0.413 53 T N 0.880 115.359 114.554 -0.126 0.000 2.708 53 T HA -0.171 4.193 4.350 0.024 0.000 0.266 53 T C 2.056 176.708 174.700 -0.079 0.000 1.037 53 T CA 1.584 63.722 62.100 0.064 0.000 1.146 53 T CB -0.312 68.640 68.868 0.141 0.000 0.865 53 T HN 0.469 nan 8.240 nan 0.000 0.435 54 A N 1.603 124.344 122.820 -0.133 0.000 1.902 54 A HA -0.099 4.235 4.320 0.024 0.000 0.217 54 A C 2.370 179.867 177.584 -0.145 0.000 1.181 54 A CA 1.403 53.354 52.037 -0.144 0.000 0.623 54 A CB -0.487 18.431 19.000 -0.136 0.000 0.818 54 A HN 0.401 nan 8.150 nan 0.000 0.443 55 R N -1.253 119.098 120.500 -0.248 0.000 2.081 55 R HA -0.088 4.266 4.340 0.024 0.000 0.235 55 R C 2.158 178.344 176.300 -0.191 0.000 1.131 55 R CA 1.592 57.527 56.100 -0.276 0.000 0.960 55 R CB -0.316 29.683 30.300 -0.501 0.000 0.856 55 R HN 0.421 nan 8.270 nan 0.000 0.436 56 M N 0.189 119.570 119.600 -0.365 0.000 2.175 56 M HA -0.103 4.392 4.480 0.024 0.000 0.264 56 M C 2.228 178.308 176.300 -0.366 0.000 1.063 56 M CA 1.049 56.024 55.300 -0.542 0.000 1.119 56 M CB -0.850 30.937 32.600 -1.355 0.000 1.377 56 M HN 0.151 nan 8.290 nan 0.000 0.415 57 L N 0.113 121.182 121.223 -0.258 0.000 2.012 57 L HA -0.232 4.123 4.340 0.024 0.000 0.210 57 L C 2.530 179.375 176.870 -0.041 0.000 1.073 57 L CA 2.324 57.119 54.840 -0.074 0.000 0.748 57 L CB -1.206 40.826 42.059 -0.045 0.000 0.891 57 L HN 0.425 nan 8.230 nan 0.000 0.431 58 H N -1.378 117.623 119.070 -0.115 0.000 2.321 58 H HA -0.129 4.441 4.556 0.024 0.000 0.300 58 H C 2.024 177.296 175.328 -0.093 0.000 1.087 58 H CA 2.387 58.395 56.048 -0.067 0.000 1.319 58 H CB -0.447 29.309 29.762 -0.010 0.000 1.379 58 H HN 0.168 nan 8.280 nan 0.000 0.501 59 V N 0.128 119.859 119.914 -0.304 0.000 2.287 59 V HA -0.288 3.846 4.120 0.024 0.000 0.248 59 V C 1.963 177.677 176.094 -0.634 0.000 1.053 59 V CA 2.106 64.119 62.300 -0.480 0.000 1.027 59 V CB -0.770 30.771 31.823 -0.469 0.000 0.646 59 V HN 0.500 nan 8.190 nan 0.000 0.447 60 Y N 0.190 120.329 120.300 -0.268 0.000 2.516 60 Y HA -0.062 4.502 4.550 0.024 0.000 0.291 60 Y C 2.695 178.456 175.900 -0.231 0.000 1.131 60 Y CA 0.912 58.837 58.100 -0.292 0.000 1.281 60 Y CB -0.562 37.779 38.460 -0.199 0.000 1.013 60 Y HN 0.160 nan 8.280 nan 0.000 0.554 61 S N -0.433 115.199 115.700 -0.113 0.000 2.356 61 S HA -0.168 4.316 4.470 0.024 0.000 0.223 61 S C 2.256 176.784 174.600 -0.119 0.000 1.032 61 S CA 1.511 59.660 58.200 -0.084 0.000 1.005 61 S CB -0.677 62.478 63.200 -0.075 0.000 0.867 61 S HN 0.238 nan 8.310 nan 0.000 0.449 62 V N 2.126 121.908 119.914 -0.219 0.000 2.295 62 V HA -0.208 3.927 4.120 0.024 0.000 0.246 62 V C 2.668 178.669 176.094 -0.156 0.000 1.049 62 V CA 1.703 63.910 62.300 -0.155 0.000 1.024 62 V CB -1.278 30.450 31.823 -0.159 0.000 0.648 62 V HN 0.542 nan 8.190 nan 0.000 0.447 63 A N 0.018 122.578 122.820 -0.433 0.000 1.908 63 A HA -0.155 4.179 4.320 0.024 0.000 0.218 63 A C 2.429 179.869 177.584 -0.240 0.000 1.181 63 A CA 2.253 53.871 52.037 -0.699 0.000 0.627 63 A CB -0.797 17.390 19.000 -1.355 0.000 0.818 63 A HN 0.582 nan 8.150 nan 0.000 0.445 64 A N -0.581 122.170 122.820 -0.116 0.000 1.877 64 A HA -0.068 4.266 4.320 0.024 0.000 0.216 64 A C 2.412 180.004 177.584 0.015 0.000 1.186 64 A CA 2.022 54.067 52.037 0.013 0.000 0.620 64 A CB -0.943 18.138 19.000 0.134 0.000 0.822 64 A HN 0.462 nan 8.150 nan 0.000 0.443 65 S N -0.277 115.427 115.700 0.006 0.000 2.419 65 S HA -0.116 4.369 4.470 0.024 0.000 0.235 65 S C 1.697 176.309 174.600 0.019 0.000 1.019 65 S CA 1.597 59.806 58.200 0.016 0.000 0.982 65 S CB -0.389 62.820 63.200 0.016 0.000 0.789 65 S HN 0.575 nan 8.310 nan 0.000 0.490 66 M N 0.402 120.014 119.600 0.020 0.000 2.659 66 M HA 0.128 4.623 4.480 0.024 0.000 0.243 66 M C 1.370 177.694 176.300 0.040 0.000 1.111 66 M CA 0.475 55.806 55.300 0.051 0.000 1.070 66 M CB -0.046 32.625 32.600 0.118 0.000 1.525 66 M HN 0.451 nan 8.290 nan 0.000 0.517 67 G N 1.286 110.097 108.800 0.019 0.000 2.142 67 G HA2 -0.227 3.747 3.960 0.024 0.000 0.225 67 G HA3 -0.227 3.747 3.960 0.024 0.000 0.225 67 G C -0.331 174.580 174.900 0.017 0.000 1.015 67 G CA -0.349 44.759 45.100 0.013 0.000 0.716 67 G HN 0.327 nan 8.290 nan 0.000 0.508 68 R N 0.945 121.452 120.500 0.012 0.000 2.196 68 R HA 0.522 4.876 4.340 0.024 0.000 0.340 68 R C -2.144 174.164 176.300 0.013 0.000 1.043 68 R CA -1.897 54.215 56.100 0.019 0.000 0.883 68 R CB 0.433 30.737 30.300 0.006 0.000 1.078 68 R HN 0.156 nan 8.270 nan 0.000 0.462 69 P HA 0.049 nan 4.420 nan 0.000 0.265 69 P C 0.705 178.014 177.300 0.014 0.000 1.187 69 P CA 0.893 64.002 63.100 0.014 0.000 0.766 69 P CB 0.811 32.516 31.700 0.009 0.000 0.820 70 G N 2.034 110.846 108.800 0.021 0.000 2.299 70 G HA2 -0.353 3.621 3.960 0.024 0.000 0.237 70 G HA3 -0.353 3.621 3.960 0.024 0.000 0.237 70 G C 1.260 176.155 174.900 -0.009 0.000 1.027 70 G CA 0.589 45.690 45.100 0.001 0.000 0.619 70 G HN 0.692 nan 8.290 nan 0.000 0.513 71 A N -0.343 122.485 122.820 0.013 0.000 1.902 71 A HA 0.158 4.493 4.320 0.024 0.000 0.217 71 A C 1.973 179.607 177.584 0.083 0.000 1.181 71 A CA 2.239 54.290 52.037 0.023 0.000 0.623 71 A CB -0.559 18.450 19.000 0.016 0.000 0.818 71 A HN 1.216 nan 8.150 nan 0.000 0.443 72 Y N 0.816 121.118 120.300 0.004 0.000 2.274 72 Y HA -0.193 4.372 4.550 0.024 0.000 0.290 72 Y C 1.765 177.706 175.900 0.068 0.000 1.145 72 Y CA 1.843 59.971 58.100 0.047 0.000 1.203 72 Y CB -0.076 38.408 38.460 0.040 0.000 0.984 72 Y HN 0.334 nan 8.280 nan 0.000 0.533 73 D N -0.109 120.367 120.400 0.127 0.000 2.178 73 D HA -0.145 4.509 4.640 0.024 0.000 0.202 73 D C 2.138 178.438 176.300 0.000 0.000 0.974 73 D CA 1.177 55.207 54.000 0.051 0.000 0.841 73 D CB -0.177 40.644 40.800 0.035 0.000 0.953 73 D HN 0.400 nan 8.370 nan 0.000 0.478 74 L N -0.166 121.037 121.223 -0.034 0.000 2.109 74 L HA -0.094 4.261 4.340 0.024 0.000 0.207 74 L C 2.443 179.395 176.870 0.137 0.000 1.086 74 L CA 0.347 55.197 54.840 0.017 0.000 0.760 74 L CB -0.238 41.660 42.059 -0.269 0.000 0.910 74 L HN -0.069 nan 8.230 nan 0.000 0.437 75 V N 0.267 120.188 119.914 0.012 0.000 2.287 75 V HA -0.355 3.780 4.120 0.024 0.000 0.248 75 V C 2.204 178.180 176.094 -0.196 0.000 1.053 75 V CA 2.320 64.566 62.300 -0.091 0.000 1.027 75 V CB -0.525 31.176 31.823 -0.202 0.000 0.646 75 V HN 0.497 nan 8.190 nan 0.000 0.447 76 D N -0.943 119.328 120.400 -0.216 0.000 2.104 76 D HA -0.263 4.392 4.640 0.024 0.000 0.194 76 D C 2.190 178.457 176.300 -0.054 0.000 0.994 76 D CA 1.696 55.614 54.000 -0.136 0.000 0.830 76 D CB -0.266 40.557 40.800 0.038 0.000 0.959 76 D HN 0.595 nan 8.370 nan 0.000 0.452 77 H N -0.607 118.417 119.070 -0.077 0.000 2.352 77 H HA -0.094 4.476 4.556 0.024 0.000 0.299 77 H C 2.037 177.335 175.328 -0.049 0.000 1.097 77 H CA 1.825 57.819 56.048 -0.091 0.000 1.311 77 H CB -0.381 29.280 29.762 -0.168 0.000 1.377 77 H HN 0.309 nan 8.280 nan 0.000 0.504 78 G N 0.919 109.770 108.800 0.085 0.000 2.418 78 G HA2 -0.193 3.782 3.960 0.024 0.000 0.217 78 G HA3 -0.193 3.782 3.960 0.024 0.000 0.217 78 G C 1.978 176.843 174.900 -0.058 0.000 1.158 78 G CA 0.875 46.053 45.100 0.130 0.000 0.771 78 G HN 0.403 nan 8.290 nan 0.000 0.545 79 I N 0.310 120.800 120.570 -0.134 0.000 2.179 79 I HA -0.152 4.032 4.170 0.024 0.000 0.242 79 I C 2.818 178.877 176.117 -0.096 0.000 1.088 79 I CA 1.228 62.434 61.300 -0.155 0.000 1.357 79 I CB -0.177 37.626 38.000 -0.329 0.000 1.051 79 I HN 0.106 nan 8.210 nan 0.000 0.409 80 K N 0.911 121.237 120.400 -0.122 0.000 2.063 80 K HA -0.187 4.147 4.320 0.024 0.000 0.208 80 K C 2.265 178.799 176.600 -0.110 0.000 1.048 80 K CA 1.618 57.844 56.287 -0.101 0.000 0.928 80 K CB -0.323 32.106 32.500 -0.119 0.000 0.713 80 K HN 0.331 nan 8.250 nan 0.000 0.442 81 A N 1.098 123.799 122.820 -0.198 0.000 1.940 81 A HA -0.149 4.185 4.320 0.024 0.000 0.219 81 A C 1.982 179.579 177.584 0.022 0.000 1.176 81 A CA 1.416 53.367 52.037 -0.144 0.000 0.631 81 A CB -0.298 18.568 19.000 -0.222 0.000 0.814 81 A HN 0.157 nan 8.150 nan 0.000 0.446 82 M N -0.539 119.087 119.600 0.044 0.000 2.619 82 M HA 0.033 4.527 4.480 0.024 0.000 0.251 82 M C 0.539 177.058 176.300 0.365 0.000 1.106 82 M CA 0.874 56.295 55.300 0.201 0.000 1.086 82 M CB -1.329 31.293 32.600 0.038 0.000 1.465 82 M HN 0.455 nan 8.290 nan 0.000 0.506 83 N N -0.201 118.593 118.700 0.157 0.000 2.187 83 N HA 0.199 4.953 4.740 0.024 0.000 0.212 83 N C 0.923 176.461 175.510 0.047 0.000 1.152 83 N CA -0.080 53.024 53.050 0.090 0.000 0.872 83 N CB 0.853 39.360 38.487 0.035 0.000 1.025 83 N HN 0.295 nan 8.380 nan 0.000 0.514 84 G N -0.421 108.420 108.800 0.069 0.000 3.341 84 G HA2 0.499 4.474 3.960 0.024 0.000 0.177 84 G HA3 0.499 4.474 3.960 0.024 0.000 0.177 84 G C 0.955 175.912 174.900 0.094 0.000 1.236 84 G CA 0.167 45.296 45.100 0.048 0.000 0.888 84 G HN 0.115 nan 8.290 nan 0.000 0.644 85 A N -0.540 122.337 122.820 0.096 0.000 1.948 85 A HA 0.000 4.335 4.320 0.024 0.000 0.220 85 A C 2.423 180.173 177.584 0.276 0.000 1.177 85 A CA 1.527 53.652 52.037 0.146 0.000 0.636 85 A CB -0.634 18.419 19.000 0.089 0.000 0.815 85 A HN 0.379 nan 8.150 nan 0.000 0.449 86 L N -1.143 120.243 121.223 0.273 0.000 2.201 86 L HA -0.070 4.285 4.340 0.024 0.000 0.212 86 L C 1.659 178.752 176.870 0.372 0.000 1.105 86 L CA 0.451 55.529 54.840 0.396 0.000 0.775 86 L CB -0.203 42.069 42.059 0.354 0.000 0.913 86 L HN 0.353 nan 8.230 nan 0.000 0.440 87 R N 1.004 121.623 120.500 0.198 0.000 2.298 87 R HA -0.005 4.349 4.340 0.024 0.000 0.310 87 R C -0.361 175.721 176.300 -0.364 0.000 1.068 87 R CA -0.342 55.620 56.100 -0.231 0.000 0.957 87 R CB 0.481 30.660 30.300 -0.202 0.000 1.003 87 R HN -0.115 nan 8.270 nan 0.000 0.454 88 D N 4.198 124.183 120.400 -0.692 0.000 2.402 88 D HA 0.040 4.694 4.640 0.024 0.000 0.235 88 D C 0.022 176.151 176.300 -0.283 0.000 1.226 88 D CA 0.100 53.704 54.000 -0.661 0.000 0.918 88 D CB 0.870 41.203 40.800 -0.778 0.000 1.043 88 D HN 0.504 nan 8.370 nan 0.000 0.506 89 K N 2.555 122.855 120.400 -0.166 0.000 2.486 89 K HA -0.054 4.280 4.320 0.024 0.000 0.194 89 K C 1.563 178.083 176.600 -0.133 0.000 1.033 89 K CA 0.412 56.612 56.287 -0.145 0.000 1.004 89 K CB 0.688 33.127 32.500 -0.102 0.000 0.798 89 K HN 0.267 nan 8.250 nan 0.000 0.495 90 K N -0.169 120.137 120.400 -0.158 0.000 2.102 90 K HA -0.008 4.326 4.320 0.024 0.000 0.206 90 K C 1.082 177.498 176.600 -0.307 0.000 1.031 90 K CA 0.733 56.842 56.287 -0.297 0.000 0.962 90 K CB 0.158 32.376 32.500 -0.471 0.000 0.811 90 K HN -0.004 nan 8.250 nan 0.000 0.453 91 Y N 0.153 120.454 120.300 0.003 0.000 2.478 91 Y HA 0.294 4.858 4.550 0.024 0.000 0.261 91 Y C 0.778 176.740 175.900 0.103 0.000 1.127 91 Y CA 0.438 58.566 58.100 0.047 0.000 1.288 91 Y CB 0.901 39.374 38.460 0.022 0.000 1.084 91 Y HN 0.391 nan 8.280 nan 0.000 0.530 92 G N -0.772 108.119 108.800 0.152 0.000 2.663 92 G HA2 0.356 4.330 3.960 0.024 0.000 0.686 92 G HA3 0.356 4.330 3.960 0.024 0.000 0.686 92 G C 0.210 175.200 174.900 0.150 0.000 1.288 92 G CA -0.640 44.555 45.100 0.160 0.000 0.836 92 G HN 0.995 nan 8.290 nan 0.000 0.584 93 G N -0.472 108.318 108.800 -0.017 0.000 2.601 93 G HA2 0.006 3.980 3.960 0.024 0.000 0.252 93 G HA3 0.006 3.980 3.960 0.024 0.000 0.252 93 G C 0.166 174.780 174.900 -0.476 0.000 1.294 93 G CA 0.641 45.708 45.100 -0.056 0.000 0.912 93 G HN 1.771 nan 8.290 nan 0.000 0.574 94 W N -0.706 120.735 121.300 0.236 0.000 2.883 94 W HA 0.545 5.219 4.660 0.025 0.000 0.335 94 W C -0.563 175.948 176.519 -0.013 0.000 1.083 94 W CA -1.053 56.257 57.345 -0.058 0.000 1.233 94 W CB 1.296 30.677 29.460 -0.132 0.000 1.412 94 W HN 0.492 nan 8.180 nan 0.000 0.490 95 Y N 0.982 121.451 120.300 0.282 0.000 2.550 95 Y HA 0.091 4.655 4.550 0.024 0.000 0.343 95 Y C 1.453 177.475 175.900 0.204 0.000 1.245 95 Y CA 0.670 58.889 58.100 0.197 0.000 1.462 95 Y CB 0.187 38.724 38.460 0.129 0.000 1.340 95 Y HN 0.558 nan 8.280 nan 0.000 0.604 96 A N 0.940 123.967 122.820 0.345 0.000 1.969 96 A HA 0.020 4.355 4.320 0.024 0.000 0.218 96 A C 0.657 178.351 177.584 0.184 0.000 1.169 96 A CA 1.357 53.555 52.037 0.268 0.000 0.635 96 A CB -0.249 18.891 19.000 0.233 0.000 0.810 96 A HN 0.703 nan 8.150 nan 0.000 0.445 97 C N -0.777 118.588 119.300 0.109 0.000 3.006 97 C HA 0.581 5.056 4.460 0.024 0.000 0.359 97 C C -0.818 174.162 174.990 -0.016 0.000 1.103 97 C CA -0.238 58.748 59.018 -0.054 0.000 1.286 97 C CB 0.772 28.339 27.740 -0.288 0.000 1.694 97 C HN 0.998 nan 8.230 nan 0.000 0.511 98 V N 3.736 123.646 119.914 -0.006 0.000 3.141 98 V HA 0.928 5.062 4.120 0.024 0.000 0.312 98 V C -0.913 175.175 176.094 -0.010 0.000 1.157 98 V CA -0.448 61.845 62.300 -0.013 0.000 1.041 98 V CB 2.123 33.969 31.823 0.038 0.000 1.071 98 V HN 1.149 nan 8.190 nan 0.000 0.441 99 N N -1.194 117.496 118.700 -0.016 0.000 3.278 99 N HA 0.426 5.181 4.740 0.024 0.000 0.307 99 N C 0.065 175.573 175.510 -0.004 0.000 1.551 99 N CA -0.322 52.727 53.050 -0.002 0.000 0.794 99 N CB 0.367 38.851 38.487 -0.005 0.000 1.770 99 N HN 0.479 nan 8.380 nan 0.000 0.612 100 D N -0.753 119.647 120.400 -0.001 0.000 2.263 100 D HA -0.081 4.573 4.640 0.024 0.000 0.208 100 D C 0.729 177.024 176.300 -0.009 0.000 0.971 100 D CA 1.408 55.407 54.000 -0.003 0.000 0.867 100 D CB 0.081 40.880 40.800 -0.002 0.000 0.929 100 D HN 0.491 nan 8.370 nan 0.000 0.492 101 Q N -0.617 119.174 119.800 -0.015 0.000 2.402 101 Q HA 0.353 4.708 4.340 0.024 0.000 0.206 101 Q C 0.978 176.959 176.000 -0.032 0.000 0.919 101 Q CA 0.379 56.170 55.803 -0.020 0.000 0.923 101 Q CB 1.297 30.023 28.738 -0.020 0.000 1.048 101 Q HN 0.225 nan 8.270 nan 0.000 0.515 102 G N -1.330 107.444 108.800 -0.043 0.000 2.332 102 G HA2 0.034 4.009 3.960 0.024 0.000 0.265 102 G HA3 0.034 4.009 3.960 0.024 0.000 0.265 102 G C -1.615 173.216 174.900 -0.115 0.000 1.329 102 G CA -0.710 44.346 45.100 -0.074 0.000 0.949 102 G HN -0.140 nan 8.290 nan 0.000 0.476 103 V N 1.148 120.946 119.914 -0.194 0.000 2.461 103 V HA 0.399 4.533 4.120 0.024 0.000 0.275 103 V C 1.364 177.356 176.094 -0.169 0.000 1.047 103 V CA -0.044 62.082 62.300 -0.290 0.000 0.955 103 V CB 1.094 32.550 31.823 -0.611 0.000 0.988 103 V HN 0.715 nan 8.190 nan 0.000 0.471 104 V N 2.356 122.198 119.914 -0.120 0.000 2.492 104 V HA 0.124 4.258 4.120 0.024 0.000 0.241 104 V C 0.540 176.605 176.094 -0.048 0.000 1.041 104 V CA 1.131 63.388 62.300 -0.071 0.000 1.057 104 V CB 0.094 31.879 31.823 -0.064 0.000 0.711 104 V HN 0.953 nan 8.190 nan 0.000 0.468 105 D N -0.610 119.772 120.400 -0.030 0.000 2.473 105 D HA 0.490 5.145 4.640 0.024 0.000 0.253 105 D C 0.358 176.704 176.300 0.077 0.000 1.233 105 D CA 0.133 54.148 54.000 0.025 0.000 0.908 105 D CB 1.799 42.630 40.800 0.053 0.000 1.170 105 D HN 0.117 nan 8.370 nan 0.000 0.558 106 A N 2.795 125.657 122.820 0.069 0.000 2.251 106 A HA 0.171 4.506 4.320 0.024 0.000 0.209 106 A C 1.095 178.814 177.584 0.226 0.000 1.187 106 A CA 0.252 52.399 52.037 0.183 0.000 0.823 106 A CB -0.319 18.735 19.000 0.091 0.000 0.846 106 A HN 0.537 nan 8.150 nan 0.000 0.486 107 S N 0.254 116.043 115.700 0.147 0.000 2.589 107 S HA 0.345 4.829 4.470 0.024 0.000 0.265 107 S C -0.191 174.510 174.600 0.168 0.000 1.342 107 S CA -0.290 57.976 58.200 0.111 0.000 1.005 107 S CB 0.607 63.870 63.200 0.105 0.000 0.909 107 S HN 0.161 nan 8.310 nan 0.000 0.555 108 K N 2.455 122.934 120.400 0.132 0.000 2.414 108 K HA 0.292 4.627 4.320 0.024 0.000 0.251 108 K C -0.663 176.210 176.600 0.455 0.000 1.037 108 K CA -0.341 56.100 56.287 0.257 0.000 0.980 108 K CB 1.071 33.428 32.500 -0.239 0.000 1.280 108 K HN 0.613 nan 8.250 nan 0.000 0.451 109 Q N 0.890 120.968 119.800 0.464 0.000 2.322 109 Q HA 0.195 4.550 4.340 0.024 0.000 0.256 109 Q C 1.284 177.419 176.000 0.226 0.000 0.960 109 Q CA -0.167 55.852 55.803 0.359 0.000 0.934 109 Q CB 1.584 30.480 28.738 0.262 0.000 1.200 109 Q HN 0.746 nan 8.270 nan 0.000 0.435 110 G N 2.173 111.028 108.800 0.091 0.000 2.476 110 G HA2 -0.347 3.627 3.960 0.024 0.000 0.218 110 G HA3 -0.347 3.627 3.960 0.024 0.000 0.218 110 G C 1.149 175.999 174.900 -0.084 0.000 1.164 110 G CA 0.763 45.595 45.100 -0.446 0.000 0.768 110 G HN 0.707 nan 8.290 nan 0.000 0.560 111 Y N 1.408 121.795 120.300 0.145 0.000 2.102 111 Y HA -0.278 4.286 4.550 0.024 0.000 0.280 111 Y C 3.054 179.072 175.900 0.197 0.000 1.178 111 Y CA 2.638 60.871 58.100 0.223 0.000 1.146 111 Y CB -0.110 38.413 38.460 0.106 0.000 0.968 111 Y HN 0.331 nan 8.280 nan 0.000 0.504 112 Q N -1.714 118.272 119.800 0.309 0.000 2.187 112 Q HA -0.150 4.205 4.340 0.024 0.000 0.199 112 Q C 2.001 178.016 176.000 0.025 0.000 0.957 112 Q CA 1.049 57.008 55.803 0.261 0.000 0.857 112 Q CB -0.266 28.644 28.738 0.286 0.000 0.929 112 Q HN 0.701 nan 8.270 nan 0.000 0.453 113 H N -0.521 118.426 119.070 -0.205 0.000 2.423 113 H HA -0.075 4.495 4.556 0.024 0.000 0.297 113 H C 1.672 176.746 175.328 -0.423 0.000 1.075 113 H CA 0.963 56.799 56.048 -0.354 0.000 1.342 113 H CB 0.109 29.505 29.762 -0.611 0.000 1.395 113 H HN 0.227 nan 8.280 nan 0.000 0.530 114 F N -0.053 119.815 119.950 -0.138 0.000 2.234 114 F HA -0.117 4.425 4.527 0.024 0.000 0.299 114 F C 2.175 177.710 175.800 -0.442 0.000 1.087 114 F CA 0.653 58.484 58.000 -0.282 0.000 1.340 114 F CB -0.741 38.028 39.000 -0.385 0.000 1.031 114 F HN 0.022 nan 8.300 nan 0.000 0.500 115 F N 0.107 119.946 119.950 -0.184 0.000 2.186 115 F HA -0.108 4.433 4.527 0.023 0.000 0.299 115 F C 2.490 178.125 175.800 -0.275 0.000 1.090 115 F CA 0.976 58.807 58.000 -0.281 0.000 1.307 115 F CB -1.198 37.604 39.000 -0.330 0.000 1.019 115 F HN -0.058 nan 8.300 nan 0.000 0.489 116 A N -0.072 122.639 122.820 -0.182 0.000 1.917 116 A HA -0.216 4.118 4.320 0.024 0.000 0.219 116 A C 2.142 179.565 177.584 -0.269 0.000 1.182 116 A CA 1.785 53.587 52.037 -0.391 0.000 0.633 116 A CB -1.128 17.394 19.000 -0.797 0.000 0.819 116 A HN 0.343 nan 8.150 nan 0.000 0.448 117 L N -0.906 120.218 121.223 -0.164 0.000 2.017 117 L HA -0.112 4.242 4.340 0.024 0.000 0.208 117 L C 2.299 179.104 176.870 -0.109 0.000 1.073 117 L CA 2.048 56.837 54.840 -0.085 0.000 0.745 117 L CB -0.629 41.458 42.059 0.047 0.000 0.894 117 L HN 0.393 nan 8.230 nan 0.000 0.432 118 L N -0.268 120.870 121.223 -0.140 0.000 2.012 118 L HA -0.078 4.276 4.340 0.024 0.000 0.210 118 L C 2.335 179.164 176.870 -0.069 0.000 1.073 118 L CA 2.263 57.015 54.840 -0.146 0.000 0.748 118 L CB -1.500 40.401 42.059 -0.264 0.000 0.891 118 L HN 0.306 nan 8.230 nan 0.000 0.431 119 G N -1.168 107.592 108.800 -0.066 0.000 2.446 119 G HA2 -0.280 3.695 3.960 0.024 0.000 0.217 119 G HA3 -0.280 3.695 3.960 0.024 0.000 0.217 119 G C 1.595 176.471 174.900 -0.041 0.000 1.168 119 G CA 0.998 46.084 45.100 -0.023 0.000 0.771 119 G HN 0.682 nan 8.290 nan 0.000 0.551 120 A N 1.116 123.887 122.820 -0.082 0.000 1.902 120 A HA 0.275 4.610 4.320 0.024 0.000 0.217 120 A C 2.834 180.389 177.584 -0.048 0.000 1.181 120 A CA 2.332 54.330 52.037 -0.064 0.000 0.623 120 A CB -0.832 18.134 19.000 -0.056 0.000 0.818 120 A HN 0.812 nan 8.150 nan 0.000 0.443 121 A N -0.568 122.215 122.820 -0.062 0.000 1.877 121 A HA -0.069 4.265 4.320 0.024 0.000 0.216 121 A C 2.454 180.024 177.584 -0.023 0.000 1.186 121 A CA 2.088 54.085 52.037 -0.068 0.000 0.620 121 A CB -0.929 18.007 19.000 -0.106 0.000 0.822 121 A HN 0.451 nan 8.150 nan 0.000 0.443 122 S N -0.044 115.671 115.700 0.025 0.000 2.370 122 S HA -0.080 4.404 4.470 0.024 0.000 0.226 122 S C 2.309 176.920 174.600 0.017 0.000 1.033 122 S CA 1.243 59.481 58.200 0.063 0.000 1.011 122 S CB -0.524 62.800 63.200 0.206 0.000 0.852 122 S HN 0.814 nan 8.310 nan 0.000 0.457 123 A N 1.142 123.961 122.820 -0.001 0.000 1.940 123 A HA -0.075 4.259 4.320 0.024 0.000 0.219 123 A C 2.308 179.899 177.584 0.012 0.000 1.176 123 A CA 1.511 53.536 52.037 -0.019 0.000 0.631 123 A CB -0.962 17.996 19.000 -0.069 0.000 0.814 123 A HN 0.344 nan 8.150 nan 0.000 0.446 124 V N 0.801 120.719 119.914 0.006 0.000 2.380 124 V HA -0.274 3.860 4.120 0.024 0.000 0.251 124 V C 2.970 179.081 176.094 0.028 0.000 1.063 124 V CA 2.453 64.764 62.300 0.018 0.000 1.055 124 V CB -1.432 30.384 31.823 -0.012 0.000 0.657 124 V HN 0.884 nan 8.190 nan 0.000 0.455 125 T N -1.699 112.866 114.554 0.018 0.000 2.977 125 T HA -0.183 4.181 4.350 0.024 0.000 0.271 125 T C 1.707 176.437 174.700 0.051 0.000 1.105 125 T CA 1.744 63.857 62.100 0.022 0.000 1.116 125 T CB -0.641 68.234 68.868 0.012 0.000 0.878 125 T HN 0.661 nan 8.240 nan 0.000 0.509 126 T N -2.299 112.307 114.554 0.087 0.000 3.067 126 T HA 0.381 4.745 4.350 0.024 0.000 0.261 126 T C 2.027 176.841 174.700 0.192 0.000 1.110 126 T CA 0.756 62.951 62.100 0.157 0.000 1.113 126 T CB -0.691 68.320 68.868 0.238 0.000 0.917 126 T HN 0.994 nan 8.240 nan 0.000 0.499 127 G N 1.212 110.103 108.800 0.151 0.000 2.162 127 G HA2 -0.297 3.677 3.960 0.024 0.000 0.260 127 G HA3 -0.297 3.677 3.960 0.024 0.000 0.260 127 G C 0.025 175.049 174.900 0.206 0.000 0.976 127 G CA 0.250 45.432 45.100 0.136 0.000 0.655 127 G HN 0.925 nan 8.290 nan 0.000 0.533 128 H N 2.331 121.512 119.070 0.185 0.000 3.125 128 H HA 0.121 4.691 4.556 0.024 0.000 0.310 128 H C -0.593 174.790 175.328 0.091 0.000 0.980 128 H CA -0.107 56.043 56.048 0.170 0.000 1.422 128 H CB 1.318 31.059 29.762 -0.035 0.000 1.432 128 H HN 0.200 nan 8.280 nan 0.000 0.577 129 P HA -0.089 nan 4.420 nan 0.000 0.228 129 P C 0.490 177.892 177.300 0.171 0.000 1.151 129 P CA 0.865 64.012 63.100 0.077 0.000 0.770 129 P CB 0.522 32.212 31.700 -0.017 0.000 0.786 130 E N -0.908 119.526 120.200 0.390 0.000 2.481 130 E HA 0.193 4.557 4.350 0.024 0.000 0.198 130 E C 1.849 178.532 176.600 0.138 0.000 1.027 130 E CA 0.147 56.690 56.400 0.239 0.000 0.900 130 E CB -0.150 29.692 29.700 0.236 0.000 0.993 130 E HN 0.176 nan 8.360 nan 0.000 0.482 131 A N 1.487 124.394 122.820 0.146 0.000 1.898 131 A HA -0.173 4.161 4.320 0.024 0.000 0.216 131 A C 2.243 179.858 177.584 0.052 0.000 1.181 131 A CA 1.641 53.704 52.037 0.044 0.000 0.620 131 A CB -0.249 18.776 19.000 0.043 0.000 0.819 131 A HN 0.075 nan 8.150 nan 0.000 0.442 132 R N 0.451 120.990 120.500 0.066 0.000 2.081 132 R HA -0.112 4.243 4.340 0.024 0.000 0.235 132 R C 2.113 178.456 176.300 0.071 0.000 1.131 132 R CA 2.168 58.299 56.100 0.052 0.000 0.960 132 R CB -0.499 29.828 30.300 0.046 0.000 0.856 132 R HN 0.552 nan 8.270 nan 0.000 0.436 133 K N -0.255 120.195 120.400 0.083 0.000 2.063 133 K HA -0.178 4.157 4.320 0.024 0.000 0.208 133 K C 1.890 178.575 176.600 0.143 0.000 1.048 133 K CA 1.687 58.034 56.287 0.100 0.000 0.928 133 K CB -0.296 32.254 32.500 0.084 0.000 0.713 133 K HN 0.212 nan 8.250 nan 0.000 0.442 134 L N 1.313 122.614 121.223 0.130 0.000 2.017 134 L HA -0.140 4.214 4.340 0.024 0.000 0.208 134 L C 2.157 179.145 176.870 0.196 0.000 1.073 134 L CA 1.349 56.301 54.840 0.186 0.000 0.745 134 L CB -0.693 41.431 42.059 0.108 0.000 0.894 134 L HN 0.276 nan 8.230 nan 0.000 0.432 135 L N -0.254 121.030 121.223 0.101 0.000 2.012 135 L HA -0.233 4.121 4.340 0.024 0.000 0.210 135 L C 2.098 179.024 176.870 0.095 0.000 1.073 135 L CA 2.056 56.931 54.840 0.058 0.000 0.748 135 L CB -1.123 40.932 42.059 -0.005 0.000 0.891 135 L HN 0.330 nan 8.230 nan 0.000 0.431 136 D N -1.438 119.031 120.400 0.115 0.000 2.104 136 D HA -0.277 4.377 4.640 0.024 0.000 0.194 136 D C 2.045 178.453 176.300 0.180 0.000 0.994 136 D CA 1.835 55.914 54.000 0.131 0.000 0.830 136 D CB -0.439 40.434 40.800 0.121 0.000 0.959 136 D HN 0.512 nan 8.370 nan 0.000 0.452 137 Y N 1.738 122.114 120.300 0.127 0.000 2.181 137 Y HA -0.214 4.350 4.550 0.024 0.000 0.288 137 Y C 2.342 178.389 175.900 0.246 0.000 1.146 137 Y CA 1.789 59.982 58.100 0.154 0.000 1.164 137 Y CB -0.585 37.965 38.460 0.150 0.000 0.982 137 Y HN -0.095 nan 8.280 nan 0.000 0.515 138 T N 1.184 115.867 114.554 0.215 0.000 2.746 138 T HA -0.204 4.161 4.350 0.024 0.000 0.267 138 T C 2.057 176.832 174.700 0.126 0.000 1.039 138 T CA 1.973 64.218 62.100 0.241 0.000 1.142 138 T CB -0.505 68.478 68.868 0.192 0.000 0.866 138 T HN 0.359 nan 8.240 nan 0.000 0.444 139 I N 1.008 121.640 120.570 0.103 0.000 2.208 139 I HA -0.175 4.010 4.170 0.024 0.000 0.245 139 I C 2.749 178.950 176.117 0.140 0.000 1.097 139 I CA 1.154 62.554 61.300 0.167 0.000 1.363 139 I CB -0.325 37.788 38.000 0.188 0.000 1.051 139 I HN 0.151 nan 8.210 nan 0.000 0.413 140 E N 0.466 120.678 120.200 0.020 0.000 2.058 140 E HA -0.172 4.193 4.350 0.024 0.000 0.194 140 E C 2.415 178.937 176.600 -0.129 0.000 0.997 140 E CA 1.210 57.574 56.400 -0.060 0.000 0.801 140 E CB -0.552 29.100 29.700 -0.081 0.000 0.746 140 E HN 0.340 nan 8.360 nan 0.000 0.450 141 V N 1.779 121.586 119.914 -0.179 0.000 2.343 141 V HA -0.227 3.908 4.120 0.024 0.000 0.247 141 V C 2.398 178.588 176.094 0.160 0.000 1.051 141 V CA 1.151 63.425 62.300 -0.044 0.000 1.036 141 V CB -0.372 31.483 31.823 0.053 0.000 0.654 141 V HN 0.192 nan 8.190 nan 0.000 0.451 142 I N 0.197 120.931 120.570 0.275 0.000 2.179 142 I HA -0.194 3.990 4.170 0.024 0.000 0.242 142 I C 2.539 178.889 176.117 0.389 0.000 1.088 142 I CA 1.679 63.247 61.300 0.447 0.000 1.357 142 I CB -1.150 37.153 38.000 0.504 0.000 1.051 142 I HN 0.464 nan 8.210 nan 0.000 0.409 143 E N 0.319 120.666 120.200 0.246 0.000 2.204 143 E HA -0.216 4.149 4.350 0.024 0.000 0.194 143 E C 2.130 178.726 176.600 -0.007 0.000 0.989 143 E CA 0.771 57.280 56.400 0.181 0.000 0.824 143 E CB 0.024 29.785 29.700 0.100 0.000 0.756 143 E HN 0.401 nan 8.360 nan 0.000 0.477 144 K N -0.220 120.027 120.400 -0.255 0.000 2.062 144 K HA -0.102 4.232 4.320 0.024 0.000 0.205 144 K C 1.040 177.156 176.600 -0.807 0.000 1.051 144 K CA 1.183 57.061 56.287 -0.681 0.000 0.941 144 K CB 0.202 31.971 32.500 -1.219 0.000 0.719 144 K HN 0.108 nan 8.250 nan 0.000 0.440 145 Y N -2.688 117.375 120.300 -0.394 0.000 2.430 145 Y HA 0.197 4.762 4.550 0.024 0.000 0.254 145 Y C 0.968 176.582 175.900 -0.477 0.000 1.088 145 Y CA -0.298 57.367 58.100 -0.726 0.000 1.267 145 Y CB 0.616 38.110 38.460 -1.609 0.000 1.204 145 Y HN -0.046 nan 8.280 nan 0.000 0.515 146 F N -2.607 117.560 119.950 0.363 0.000 2.619 146 F HA 0.167 4.708 4.527 0.024 0.000 0.281 146 F C 0.706 176.871 175.800 0.608 0.000 1.065 146 F CA -0.699 57.588 58.000 0.479 0.000 1.304 146 F CB 0.097 39.263 39.000 0.277 0.000 1.059 146 F HN -0.055 nan 8.300 nan 0.000 0.648 147 W N 2.787 124.408 121.300 0.535 0.000 2.335 147 W HA 0.441 5.116 4.660 0.025 0.000 0.306 147 W C -0.207 176.467 176.519 0.258 0.000 1.216 147 W CA -0.523 57.080 57.345 0.429 0.000 1.237 147 W CB 1.249 30.923 29.460 0.357 0.000 1.243 147 W HN -0.195 nan 8.180 nan 0.000 0.493 148 S N 4.729 120.126 115.700 -0.505 0.000 2.430 148 S HA 0.078 4.562 4.470 0.024 0.000 0.289 148 S C 1.004 175.178 174.600 -0.708 0.000 1.143 148 S CA -0.338 57.609 58.200 -0.422 0.000 1.067 148 S CB 1.033 64.113 63.200 -0.200 0.000 0.964 148 S HN 0.595 nan 8.310 nan 0.000 0.485 149 E N 3.460 123.465 120.200 -0.325 0.000 2.152 149 E HA -0.112 4.253 4.350 0.024 0.000 0.192 149 E C 1.839 178.354 176.600 -0.143 0.000 0.983 149 E CA 0.898 57.201 56.400 -0.162 0.000 0.818 149 E CB 0.043 29.748 29.700 0.008 0.000 0.758 149 E HN 0.886 nan 8.360 nan 0.000 0.467 150 E N 1.032 121.157 120.200 -0.125 0.000 2.072 150 E HA -0.153 4.212 4.350 0.024 0.000 0.190 150 E C 1.581 178.113 176.600 -0.113 0.000 0.982 150 E CA 0.876 57.225 56.400 -0.085 0.000 0.803 150 E CB -0.387 29.287 29.700 -0.043 0.000 0.755 150 E HN 0.344 nan 8.360 nan 0.000 0.453 151 E N 0.519 120.624 120.200 -0.159 0.000 2.299 151 E HA -0.037 4.328 4.350 0.024 0.000 0.193 151 E C 0.026 176.431 176.600 -0.326 0.000 0.998 151 E CA -0.000 56.300 56.400 -0.167 0.000 0.851 151 E CB 0.125 29.808 29.700 -0.028 0.000 0.795 151 E HN 0.083 nan 8.360 nan 0.000 0.492 152 Q N -0.225 119.300 119.800 -0.457 0.000 2.453 152 Q HA -0.211 4.143 4.340 0.024 0.000 0.294 152 Q C -0.463 175.151 176.000 -0.645 0.000 1.295 152 Q CA 1.028 56.517 55.803 -0.523 0.000 0.853 152 Q CB -1.043 27.630 28.738 -0.108 0.000 1.193 152 Q HN 0.280 nan 8.270 nan 0.000 0.461 153 M N -1.611 117.459 119.600 -0.883 0.000 2.813 153 M HA 0.332 4.826 4.480 0.024 0.000 0.270 153 M C -0.328 175.849 176.300 -0.205 0.000 1.267 153 M CA -0.679 54.342 55.300 -0.464 0.000 0.822 153 M CB 1.517 33.736 32.600 -0.635 0.000 1.671 153 M HN 0.100 nan 8.290 nan 0.000 0.468 154 C N 2.007 121.475 119.300 0.280 0.000 2.388 154 C HA 0.620 5.094 4.460 0.024 0.000 0.362 154 C C 0.835 176.160 174.990 0.558 0.000 1.266 154 C CA -0.814 58.532 59.018 0.548 0.000 2.028 154 C CB -0.255 27.877 27.740 0.653 0.000 2.440 154 C HN 0.609 nan 8.230 nan 0.000 0.547 155 L N 1.918 123.472 121.223 0.552 0.000 2.476 155 L HA 0.196 4.550 4.340 0.024 0.000 0.255 155 L C 1.395 178.608 176.870 0.573 0.000 1.218 155 L CA 0.033 55.139 54.840 0.444 0.000 0.819 155 L CB 0.318 42.581 42.059 0.341 0.000 1.119 155 L HN 0.740 nan 8.230 nan 0.000 0.485 156 E N 0.331 120.773 120.200 0.404 0.000 2.094 156 E HA 0.029 4.393 4.350 0.024 0.000 0.193 156 E C 0.004 176.907 176.600 0.506 0.000 0.950 156 E CA 0.665 57.339 56.400 0.456 0.000 0.842 156 E CB 0.512 30.465 29.700 0.422 0.000 0.816 156 E HN 0.671 nan 8.360 nan 0.000 0.465 157 S N -2.436 113.477 115.700 0.355 0.000 2.615 157 S HA 0.648 5.133 4.470 0.024 0.000 0.269 157 S C -1.602 173.084 174.600 0.143 0.000 1.161 157 S CA -1.073 57.374 58.200 0.412 0.000 0.817 157 S CB 0.552 63.913 63.200 0.269 0.000 1.131 157 S HN 0.187 nan 8.310 nan 0.000 0.467 158 W N 0.752 122.131 121.300 0.132 0.000 3.062 158 W HA 0.502 5.176 4.660 0.024 0.000 0.336 158 W C -0.656 175.793 176.519 -0.117 0.000 1.224 158 W CA -0.332 57.002 57.345 -0.018 0.000 1.159 158 W CB 0.777 30.183 29.460 -0.091 0.000 1.454 158 W HN 0.878 nan 8.180 nan 0.000 0.569 159 D N 0.247 120.719 120.400 0.120 0.000 2.363 159 D HA -0.048 4.606 4.640 0.024 0.000 0.240 159 D C 0.984 177.153 176.300 -0.218 0.000 1.236 159 D CA -0.044 53.942 54.000 -0.023 0.000 0.927 159 D CB 0.604 41.391 40.800 -0.022 0.000 1.150 159 D HN 0.700 nan 8.370 nan 0.000 0.458 160 E N 0.348 120.426 120.200 -0.203 0.000 2.108 160 E HA -0.290 4.074 4.350 0.024 0.000 0.203 160 E C 1.628 177.880 176.600 -0.579 0.000 1.022 160 E CA 1.743 57.979 56.400 -0.272 0.000 0.823 160 E CB -0.272 29.383 29.700 -0.075 0.000 0.744 160 E HN 0.587 nan 8.360 nan 0.000 0.456 161 A N -0.407 122.016 122.820 -0.663 0.000 2.238 161 A HA 0.068 4.402 4.320 0.024 0.000 0.208 161 A C 0.156 177.504 177.584 -0.394 0.000 1.177 161 A CA 0.188 51.637 52.037 -0.979 0.000 0.804 161 A CB -0.423 18.016 19.000 -0.935 0.000 0.823 161 A HN 0.462 nan 8.150 nan 0.000 0.482 162 F N -0.446 119.297 119.950 -0.346 0.000 3.039 162 F HA -0.268 4.274 4.527 0.024 0.000 0.287 162 F C 1.683 177.407 175.800 -0.127 0.000 0.956 162 F CA 0.792 58.507 58.000 -0.475 0.000 0.971 162 F CB -2.185 36.129 39.000 -1.143 0.000 0.943 162 F HN 0.393 nan 8.300 nan 0.000 0.766 163 S N -2.204 113.648 115.700 0.254 0.000 2.514 163 S HA 0.279 4.764 4.470 0.024 0.000 0.223 163 S C 0.508 175.334 174.600 0.376 0.000 1.046 163 S CA 0.436 58.795 58.200 0.265 0.000 0.914 163 S CB 0.632 63.890 63.200 0.097 0.000 0.807 163 S HN 0.353 nan 8.310 nan 0.000 0.497 164 Q N 1.317 121.334 119.800 0.363 0.000 2.285 164 Q HA 0.573 4.927 4.340 0.024 0.000 0.269 164 Q C -0.965 174.964 176.000 -0.118 0.000 1.030 164 Q CA -0.171 55.699 55.803 0.111 0.000 0.788 164 Q CB 2.089 30.852 28.738 0.041 0.000 1.266 164 Q HN 0.185 nan 8.270 nan 0.000 0.438 165 T N 2.218 116.387 114.554 -0.642 0.000 2.922 165 T HA 0.293 4.657 4.350 0.024 0.000 0.285 165 T C -0.613 173.826 174.700 -0.435 0.000 1.005 165 T CA -0.451 61.024 62.100 -1.041 0.000 1.061 165 T CB 0.723 68.601 68.868 -1.650 0.000 1.007 165 T HN 0.698 nan 8.240 nan 0.000 0.502 166 E N 1.759 121.778 120.200 -0.301 0.000 2.384 166 E HA -0.004 4.360 4.350 0.024 0.000 0.266 166 E C -0.537 176.023 176.600 -0.067 0.000 1.012 166 E CA -0.293 56.048 56.400 -0.099 0.000 0.901 166 E CB 0.487 30.191 29.700 0.008 0.000 0.967 166 E HN 0.489 nan 8.360 nan 0.000 0.435 167 D N 4.228 124.618 120.400 -0.017 0.000 2.688 167 D HA 0.065 4.720 4.640 0.024 0.000 0.228 167 D C -1.669 174.679 176.300 0.080 0.000 1.116 167 D CA 0.388 54.386 54.000 -0.004 0.000 1.023 167 D CB -0.638 40.163 40.800 0.003 0.000 1.100 167 D HN 0.349 nan 8.370 nan 0.000 0.487 168 Y N 0.628 120.854 120.300 -0.125 0.000 2.522 168 Y HA 0.370 4.935 4.550 0.024 0.000 0.326 168 Y C -1.821 173.957 175.900 -0.205 0.000 1.198 168 Y CA -1.031 56.983 58.100 -0.143 0.000 1.112 168 Y CB 0.926 39.330 38.460 -0.093 0.000 1.342 168 Y HN -0.142 nan 8.280 nan 0.000 0.460 169 R N 3.247 123.171 120.500 -0.960 0.000 2.621 169 R HA 0.707 5.061 4.340 0.024 0.000 0.292 169 R C -0.858 174.889 176.300 -0.922 0.000 0.969 169 R CA -0.761 54.780 56.100 -0.932 0.000 0.887 169 R CB 1.935 31.199 30.300 -1.726 0.000 1.180 169 R HN 0.930 nan 8.270 nan 0.000 0.450 170 G N -0.333 108.332 108.800 -0.224 0.000 2.470 170 G HA2 0.426 4.400 3.960 0.024 0.000 0.320 170 G HA3 0.426 4.400 3.960 0.024 0.000 0.320 170 G C 0.709 175.868 174.900 0.431 0.000 1.245 170 G CA -0.529 44.684 45.100 0.189 0.000 0.935 170 G HN 0.553 nan 8.290 nan 0.000 0.476 171 G N 1.174 110.285 108.800 0.519 0.000 2.443 171 G HA2 -0.226 3.749 3.960 0.024 0.000 0.219 171 G HA3 -0.226 3.749 3.960 0.024 0.000 0.219 171 G C 1.324 176.559 174.900 0.559 0.000 1.131 171 G CA 0.968 46.432 45.100 0.607 0.000 0.775 171 G HN 0.639 nan 8.290 nan 0.000 0.547 172 N N 0.377 119.372 118.700 0.492 0.000 2.109 172 N HA -0.024 4.730 4.740 0.024 0.000 0.188 172 N C 2.614 178.404 175.510 0.466 0.000 1.034 172 N CA 0.909 54.250 53.050 0.485 0.000 0.846 172 N CB -0.136 38.683 38.487 0.553 0.000 1.010 172 N HN 0.226 nan 8.380 nan 0.000 0.425 173 A N 0.945 124.090 122.820 0.542 0.000 1.908 173 A HA -0.190 4.144 4.320 0.024 0.000 0.218 173 A C 1.903 179.546 177.584 0.097 0.000 1.181 173 A CA 1.748 54.054 52.037 0.448 0.000 0.627 173 A CB -0.850 18.495 19.000 0.575 0.000 0.818 173 A HN 0.435 nan 8.150 nan 0.000 0.445 174 N N -1.056 117.745 118.700 0.168 0.000 2.188 174 N HA -0.097 4.657 4.740 0.024 0.000 0.184 174 N C 1.716 177.101 175.510 -0.207 0.000 1.018 174 N CA 1.508 54.567 53.050 0.015 0.000 0.858 174 N CB -0.321 38.336 38.487 0.284 0.000 0.989 174 N HN 0.618 nan 8.380 nan 0.000 0.426 175 M N -0.060 119.384 119.600 -0.261 0.000 2.080 175 M HA -0.203 4.291 4.480 0.024 0.000 0.260 175 M C 1.397 177.148 176.300 -0.915 0.000 1.068 175 M CA 1.651 56.324 55.300 -1.045 0.000 1.109 175 M CB -0.092 31.780 32.600 -1.213 0.000 1.342 175 M HN 0.302 nan 8.290 nan 0.000 0.405 176 H N -0.307 118.420 119.070 -0.572 0.000 2.495 176 H HA 0.053 4.623 4.556 0.024 0.000 0.287 176 H C 2.067 176.894 175.328 -0.836 0.000 1.033 176 H CA 1.281 56.906 56.048 -0.705 0.000 1.307 176 H CB -0.283 28.954 29.762 -0.876 0.000 1.401 176 H HN 0.550 nan 8.280 nan 0.000 0.555 177 A N 0.717 122.918 122.820 -1.031 0.000 1.877 177 A HA -0.105 4.229 4.320 0.024 0.000 0.216 177 A C 2.783 179.564 177.584 -1.337 0.000 1.186 177 A CA 1.338 52.371 52.037 -1.674 0.000 0.620 177 A CB -0.828 16.810 19.000 -2.271 0.000 0.822 177 A HN 0.191 nan 8.150 nan 0.000 0.443 178 V N 0.299 119.719 119.914 -0.823 0.000 2.287 178 V HA -0.324 3.811 4.120 0.024 0.000 0.248 178 V C 2.587 178.489 176.094 -0.319 0.000 1.053 178 V CA 2.478 64.521 62.300 -0.429 0.000 1.027 178 V CB -0.758 30.909 31.823 -0.261 0.000 0.646 178 V HN 0.800 nan 8.190 nan 0.000 0.447 179 E N 0.143 120.102 120.200 -0.402 0.000 2.058 179 E HA -0.267 4.097 4.350 0.024 0.000 0.194 179 E C 2.204 178.669 176.600 -0.224 0.000 0.997 179 E CA 1.658 57.886 56.400 -0.285 0.000 0.801 179 E CB -0.220 29.302 29.700 -0.297 0.000 0.746 179 E HN 0.569 nan 8.360 nan 0.000 0.450 180 A N 0.555 123.199 122.820 -0.293 0.000 1.898 180 A HA -0.122 4.213 4.320 0.024 0.000 0.216 180 A C 1.923 179.528 177.584 0.034 0.000 1.181 180 A CA 1.103 53.044 52.037 -0.160 0.000 0.620 180 A CB -0.730 18.186 19.000 -0.140 0.000 0.819 180 A HN 0.335 nan 8.150 nan 0.000 0.442 181 F N 0.237 120.115 119.950 -0.121 0.000 2.161 181 F HA -0.130 4.411 4.527 0.023 0.000 0.300 181 F C 2.126 177.927 175.800 0.001 0.000 1.089 181 F CA 0.521 58.499 58.000 -0.037 0.000 1.282 181 F CB -1.337 37.722 39.000 0.099 0.000 1.010 181 F HN 0.104 nan 8.300 nan 0.000 0.485 182 L N -0.523 120.804 121.223 0.174 0.000 2.013 182 L HA -0.268 4.086 4.340 0.024 0.000 0.212 182 L C 2.423 179.373 176.870 0.135 0.000 1.073 182 L CA 0.933 55.854 54.840 0.135 0.000 0.753 182 L CB -0.598 41.485 42.059 0.040 0.000 0.890 182 L HN 0.036 nan 8.230 nan 0.000 0.432 183 I N -1.088 119.499 120.570 0.029 0.000 2.353 183 I HA -0.159 4.025 4.170 0.024 0.000 0.248 183 I C 2.539 178.609 176.117 -0.078 0.000 1.119 183 I CA 1.033 62.325 61.300 -0.014 0.000 1.417 183 I CB -1.089 36.891 38.000 -0.034 0.000 1.078 183 I HN 0.044 nan 8.210 nan 0.000 0.421 184 V N 0.776 120.592 119.914 -0.163 0.000 2.343 184 V HA -0.320 3.814 4.120 0.024 0.000 0.247 184 V C 2.488 178.409 176.094 -0.288 0.000 1.051 184 V CA 1.872 63.931 62.300 -0.402 0.000 1.036 184 V CB -1.077 30.177 31.823 -0.949 0.000 0.654 184 V HN 0.379 nan 8.190 nan 0.000 0.451 185 Y N 1.724 121.931 120.300 -0.155 0.000 2.128 185 Y HA -0.264 4.300 4.550 0.023 0.000 0.284 185 Y C 2.310 178.199 175.900 -0.018 0.000 1.154 185 Y CA 2.084 60.220 58.100 0.060 0.000 1.149 185 Y CB -0.455 38.112 38.460 0.178 0.000 0.976 185 Y HN 0.305 nan 8.280 nan 0.000 0.505 186 D N -0.177 120.143 120.400 -0.134 0.000 2.221 186 D HA -0.134 4.520 4.640 0.024 0.000 0.204 186 D C 1.815 177.868 176.300 -0.411 0.000 0.982 186 D CA 1.860 55.699 54.000 -0.268 0.000 0.857 186 D CB -0.242 40.532 40.800 -0.043 0.000 0.934 186 D HN 0.453 nan 8.370 nan 0.000 0.475 187 V N -2.251 117.471 119.914 -0.319 0.000 3.376 187 V HA 0.304 4.438 4.120 0.024 0.000 0.313 187 V C 1.246 177.179 176.094 -0.268 0.000 1.393 187 V CA 0.857 62.998 62.300 -0.265 0.000 1.125 187 V CB 0.263 31.992 31.823 -0.156 0.000 1.037 187 V HN 0.148 nan 8.190 nan 0.000 0.440 188 T N -4.845 109.500 114.554 -0.349 0.000 3.340 188 T HA 0.169 4.533 4.350 0.024 0.000 0.272 188 T C 0.803 175.412 174.700 -0.152 0.000 0.965 188 T CA 0.832 62.825 62.100 -0.178 0.000 1.040 188 T CB -0.014 68.852 68.868 -0.003 0.000 1.183 188 T HN 0.337 nan 8.240 nan 0.000 0.478 189 H N 1.720 120.685 119.070 -0.174 0.000 2.862 189 H HA -0.088 4.482 4.556 0.023 0.000 0.290 189 H C -0.519 174.864 175.328 0.092 0.000 1.211 189 H CA 0.876 56.840 56.048 -0.139 0.000 1.140 189 H CB -2.149 27.508 29.762 -0.174 0.000 1.341 189 H HN 0.555 nan 8.280 nan 0.000 0.392 190 D N 1.047 121.628 120.400 0.301 0.000 2.339 190 D HA 0.055 4.709 4.640 0.024 0.000 0.256 190 D C 1.329 177.762 176.300 0.222 0.000 1.214 190 D CA -0.146 53.980 54.000 0.210 0.000 0.877 190 D CB 0.610 41.523 40.800 0.188 0.000 1.111 190 D HN 0.316 nan 8.370 nan 0.000 0.478 191 K N 3.028 123.499 120.400 0.117 0.000 2.211 191 K HA -0.172 4.163 4.320 0.024 0.000 0.204 191 K C 1.933 178.504 176.600 -0.048 0.000 1.047 191 K CA 0.965 57.312 56.287 0.100 0.000 0.935 191 K CB 0.180 32.699 32.500 0.032 0.000 0.728 191 K HN 0.498 nan 8.250 nan 0.000 0.452 192 K N -0.497 119.759 120.400 -0.240 0.000 2.160 192 K HA -0.198 4.137 4.320 0.024 0.000 0.206 192 K C 1.661 177.925 176.600 -0.561 0.000 1.047 192 K CA 1.748 57.752 56.287 -0.471 0.000 0.930 192 K CB -0.547 31.533 32.500 -0.700 0.000 0.720 192 K HN 0.227 nan 8.250 nan 0.000 0.450 193 W N 0.923 122.093 121.300 -0.217 0.000 2.358 193 W HA -0.075 4.599 4.660 0.024 0.000 0.303 193 W C 2.098 178.516 176.519 -0.168 0.000 1.208 193 W CA -0.212 56.953 57.345 -0.299 0.000 1.274 193 W CB -0.334 29.049 29.460 -0.128 0.000 1.138 193 W HN 0.049 nan 8.180 nan 0.000 0.515 194 L N 0.406 121.656 121.223 0.045 0.000 2.109 194 L HA -0.130 4.224 4.340 0.024 0.000 0.207 194 L C 1.712 178.535 176.870 -0.077 0.000 1.086 194 L CA 1.856 56.630 54.840 -0.111 0.000 0.760 194 L CB -1.013 40.797 42.059 -0.414 0.000 0.910 194 L HN -0.151 nan 8.230 nan 0.000 0.437 195 D N -0.544 119.796 120.400 -0.101 0.000 2.123 195 D HA -0.183 4.472 4.640 0.024 0.000 0.196 195 D C 2.323 178.592 176.300 -0.053 0.000 0.992 195 D CA 1.180 55.133 54.000 -0.079 0.000 0.833 195 D CB -0.045 40.690 40.800 -0.108 0.000 0.954 195 D HN 0.290 nan 8.370 nan 0.000 0.455 196 R N 0.592 120.993 120.500 -0.166 0.000 2.075 196 R HA 0.004 4.358 4.340 0.024 0.000 0.232 196 R C 2.334 178.713 176.300 0.132 0.000 1.126 196 R CA 1.206 57.188 56.100 -0.197 0.000 0.963 196 R CB -0.283 29.556 30.300 -0.769 0.000 0.858 196 R HN 0.101 nan 8.270 nan 0.000 0.435 197 A N 1.243 124.186 122.820 0.205 0.000 1.902 197 A HA -0.140 4.194 4.320 0.024 0.000 0.217 197 A C 2.179 179.881 177.584 0.195 0.000 1.181 197 A CA 1.202 53.379 52.037 0.234 0.000 0.623 197 A CB -0.548 18.567 19.000 0.192 0.000 0.818 197 A HN 0.172 nan 8.150 nan 0.000 0.443 198 L N -0.948 120.360 121.223 0.142 0.000 2.046 198 L HA -0.207 4.148 4.340 0.024 0.000 0.208 198 L C 2.758 179.786 176.870 0.263 0.000 1.077 198 L CA 1.805 56.759 54.840 0.190 0.000 0.747 198 L CB -0.413 41.713 42.059 0.111 0.000 0.896 198 L HN 0.471 nan 8.230 nan 0.000 0.432 199 R N 0.988 121.599 120.500 0.185 0.000 2.073 199 R HA -0.157 4.197 4.340 0.024 0.000 0.234 199 R C 2.045 178.413 176.300 0.113 0.000 1.134 199 R CA 1.793 57.981 56.100 0.147 0.000 0.952 199 R CB -0.803 29.608 30.300 0.185 0.000 0.850 199 R HN 0.258 nan 8.270 nan 0.000 0.433 200 I N 0.788 121.469 120.570 0.185 0.000 2.127 200 I HA -0.274 3.911 4.170 0.024 0.000 0.241 200 I C 2.460 178.640 176.117 0.105 0.000 1.075 200 I CA 1.662 63.043 61.300 0.135 0.000 1.334 200 I CB -0.580 37.561 38.000 0.235 0.000 1.040 200 I HN 0.382 nan 8.210 nan 0.000 0.405 201 A N 0.687 123.658 122.820 0.250 0.000 1.940 201 A HA -0.253 4.081 4.320 0.024 0.000 0.219 201 A C 2.507 180.141 177.584 0.084 0.000 1.176 201 A CA 2.328 54.508 52.037 0.237 0.000 0.631 201 A CB -0.958 18.336 19.000 0.490 0.000 0.814 201 A HN 0.557 nan 8.150 nan 0.000 0.446 202 S N -0.553 115.188 115.700 0.068 0.000 2.382 202 S HA -0.119 4.366 4.470 0.024 0.000 0.228 202 S C 1.751 176.170 174.600 -0.301 0.000 1.027 202 S CA 1.570 59.556 58.200 -0.357 0.000 0.991 202 S CB -0.776 62.260 63.200 -0.272 0.000 0.823 202 S HN 0.252 nan 8.310 nan 0.000 0.469 203 V N 1.605 121.372 119.914 -0.244 0.000 2.273 203 V HA 0.038 4.172 4.120 0.024 0.000 0.242 203 V C 2.495 178.415 176.094 -0.290 0.000 1.035 203 V CA 1.682 63.801 62.300 -0.301 0.000 1.013 203 V CB -0.598 30.968 31.823 -0.427 0.000 0.652 203 V HN 0.449 nan 8.190 nan 0.000 0.452 204 I N -0.558 119.825 120.570 -0.312 0.000 2.286 204 I HA -0.162 4.022 4.170 0.024 0.000 0.245 204 I C 2.060 177.957 176.117 -0.367 0.000 1.104 204 I CA 1.198 62.324 61.300 -0.291 0.000 1.397 204 I CB -0.087 37.724 38.000 -0.315 0.000 1.072 204 I HN 0.223 nan 8.210 nan 0.000 0.417 205 I N -0.632 119.680 120.570 -0.430 0.000 2.681 205 I HA -0.124 4.060 4.170 0.024 0.000 0.247 205 I C 2.516 178.517 176.117 -0.193 0.000 1.091 205 I CA 1.370 62.480 61.300 -0.317 0.000 1.442 205 I CB -1.623 36.237 38.000 -0.233 0.000 1.219 205 I HN 0.175 nan 8.210 nan 0.000 0.451 206 H N 1.029 119.903 119.070 -0.327 0.000 2.389 206 H HA -0.152 4.418 4.556 0.024 0.000 0.299 206 H C 1.800 176.902 175.328 -0.377 0.000 1.081 206 H CA 2.156 57.949 56.048 -0.425 0.000 1.345 206 H CB 0.125 29.286 29.762 -1.002 0.000 1.393 206 H HN 0.300 nan 8.280 nan 0.000 0.520 207 D N -0.972 119.199 120.400 -0.383 0.000 2.278 207 D HA -0.085 4.569 4.640 0.024 0.000 0.228 207 D C 2.320 178.436 176.300 -0.306 0.000 1.020 207 D CA 1.618 55.408 54.000 -0.350 0.000 0.922 207 D CB -0.441 40.206 40.800 -0.255 0.000 1.051 207 D HN 0.205 nan 8.370 nan 0.000 0.452 208 V N 1.413 121.192 119.914 -0.225 0.000 2.244 208 V HA -0.082 4.053 4.120 0.024 0.000 0.244 208 V C 2.714 178.653 176.094 -0.258 0.000 1.042 208 V CA 2.004 64.197 62.300 -0.178 0.000 1.006 208 V CB -1.167 30.650 31.823 -0.009 0.000 0.641 208 V HN 0.367 nan 8.190 nan 0.000 0.446 209 A N 0.116 122.773 122.820 -0.273 0.000 1.877 209 A HA -0.274 4.061 4.320 0.024 0.000 0.216 209 A C 2.417 179.712 177.584 -0.481 0.000 1.186 209 A CA 2.215 54.055 52.037 -0.328 0.000 0.620 209 A CB -0.654 18.175 19.000 -0.285 0.000 0.822 209 A HN 0.471 nan 8.150 nan 0.000 0.443 210 R N -0.193 119.958 120.500 -0.582 0.000 2.091 210 R HA -0.153 4.202 4.340 0.024 0.000 0.238 210 R C 1.333 177.217 176.300 -0.693 0.000 1.136 210 R CA 1.754 57.273 56.100 -0.968 0.000 0.959 210 R CB -0.306 29.575 30.300 -0.698 0.000 0.856 210 R HN 0.529 nan 8.270 nan 0.000 0.437 211 N N -0.528 117.894 118.700 -0.463 0.000 2.550 211 N HA -0.046 4.708 4.740 0.024 0.000 0.186 211 N C 0.540 175.881 175.510 -0.283 0.000 1.110 211 N CA 1.087 53.937 53.050 -0.333 0.000 0.912 211 N CB 0.612 38.935 38.487 -0.274 0.000 0.968 211 N HN 0.321 nan 8.380 nan 0.000 0.448 212 G N 0.267 108.878 108.800 -0.315 0.000 4.433 212 G HA2 0.106 4.080 3.960 0.024 0.000 0.304 212 G HA3 0.106 4.080 3.960 0.024 0.000 0.304 212 G C -0.428 174.347 174.900 -0.209 0.000 1.254 212 G CA -0.361 44.593 45.100 -0.243 0.000 0.999 212 G HN -0.037 nan 8.290 nan 0.000 0.576 213 D N -0.218 120.052 120.400 -0.217 0.000 2.837 213 D HA -0.249 4.406 4.640 0.024 0.000 0.230 213 D C 0.324 176.593 176.300 -0.051 0.000 1.152 213 D CA 1.150 55.090 54.000 -0.100 0.000 0.736 213 D CB -1.599 39.201 40.800 0.000 0.000 1.084 213 D HN 0.691 nan 8.370 nan 0.000 0.429 214 Y N -2.621 117.558 120.300 -0.202 0.000 4.668 214 Y HA -0.336 4.229 4.550 0.025 0.000 0.234 214 Y C 0.938 176.422 175.900 -0.693 0.000 1.056 214 Y CA 0.967 58.889 58.100 -0.297 0.000 2.025 214 Y CB -1.476 36.906 38.460 -0.130 0.000 1.613 214 Y HN 0.208 nan 8.280 nan 0.000 0.653 215 R N 0.889 121.016 120.500 -0.621 0.000 2.210 215 R HA 0.397 4.752 4.340 0.024 0.000 0.338 215 R C -0.116 175.829 176.300 -0.592 0.000 1.062 215 R CA -0.499 54.985 56.100 -1.026 0.000 0.902 215 R CB 0.901 31.058 30.300 -0.238 0.000 1.050 215 R HN -0.054 nan 8.270 nan 0.000 0.461 216 V N 4.070 123.480 119.914 -0.840 0.000 2.521 216 V HA -0.049 4.085 4.120 0.024 0.000 0.286 216 V C 0.895 177.068 176.094 0.132 0.000 1.034 216 V CA -0.157 62.007 62.300 -0.227 0.000 1.045 216 V CB 0.522 32.322 31.823 -0.038 0.000 0.974 216 V HN 0.707 nan 8.190 nan 0.000 0.480 217 N N 4.121 122.829 118.700 0.013 0.000 2.458 217 N HA 0.141 4.895 4.740 0.024 0.000 0.270 217 N C 0.598 176.060 175.510 -0.079 0.000 1.102 217 N CA -0.192 52.818 53.050 -0.066 0.000 0.967 217 N CB 1.355 39.571 38.487 -0.452 0.000 1.078 217 N HN 0.735 nan 8.380 nan 0.000 0.471 218 E N 1.369 121.461 120.200 -0.180 0.000 2.340 218 E HA 0.049 4.413 4.350 0.024 0.000 0.198 218 E C -0.360 176.053 176.600 -0.312 0.000 0.961 218 E CA 0.268 56.577 56.400 -0.152 0.000 0.905 218 E CB 0.344 29.903 29.700 -0.236 0.000 0.884 218 E HN 0.603 nan 8.360 nan 0.000 0.491 219 H N -0.217 118.686 119.070 -0.278 0.000 2.504 219 H HA 0.331 4.901 4.556 0.024 0.000 0.322 219 H C -0.811 174.100 175.328 -0.695 0.000 1.055 219 H CA -0.225 55.578 56.048 -0.408 0.000 1.231 219 H CB 0.224 29.840 29.762 -0.245 0.000 1.417 219 H HN -0.082 nan 8.280 nan 0.000 0.472 220 F N 1.106 120.741 119.950 -0.525 0.000 2.603 220 F HA 0.154 4.696 4.527 0.024 0.000 0.317 220 F C 0.554 176.028 175.800 -0.543 0.000 1.066 220 F CA -1.087 56.631 58.000 -0.471 0.000 0.941 220 F CB 1.408 40.055 39.000 -0.587 0.000 1.291 220 F HN 0.452 nan 8.300 nan 0.000 0.472 221 D N -0.692 119.618 120.400 -0.149 0.000 2.447 221 D HA 0.161 4.815 4.640 0.024 0.000 0.265 221 D C 0.769 176.889 176.300 -0.301 0.000 1.250 221 D CA -0.447 53.454 54.000 -0.166 0.000 1.046 221 D CB 0.193 40.957 40.800 -0.061 0.000 1.095 221 D HN 0.308 nan 8.370 nan 0.000 0.555 222 S N -1.334 114.241 115.700 -0.209 0.000 2.507 222 S HA -0.112 4.373 4.470 0.024 0.000 0.235 222 S C 1.065 175.566 174.600 -0.165 0.000 0.988 222 S CA 0.732 58.798 58.200 -0.223 0.000 0.944 222 S CB -0.285 62.844 63.200 -0.118 0.000 0.762 222 S HN 0.405 nan 8.310 nan 0.000 0.526 223 Q N -1.111 118.630 119.800 -0.099 0.000 2.220 223 Q HA 0.239 4.594 4.340 0.024 0.000 0.205 223 Q C -0.525 175.554 176.000 0.131 0.000 0.865 223 Q CA -0.255 55.562 55.803 0.024 0.000 0.960 223 Q CB -0.162 28.590 28.738 0.023 0.000 1.097 223 Q HN 0.509 nan 8.270 nan 0.000 0.493 224 W N 0.551 121.824 121.300 -0.045 0.000 4.435 224 W HA -0.250 4.424 4.660 0.024 0.000 0.351 224 W C -0.711 175.879 176.519 0.119 0.000 1.319 224 W CA 0.057 57.352 57.345 -0.084 0.000 0.791 224 W CB -1.904 27.403 29.460 -0.255 0.000 2.419 224 W HN 0.095 nan 8.180 nan 0.000 1.406 225 N N 0.786 119.634 118.700 0.248 0.000 2.456 225 N HA 0.367 5.121 4.740 0.024 0.000 0.288 225 N C -2.228 173.366 175.510 0.139 0.000 1.059 225 N CA -1.660 51.507 53.050 0.195 0.000 0.946 225 N CB 0.945 39.472 38.487 0.065 0.000 1.150 225 N HN -0.305 nan 8.380 nan 0.000 0.479 226 P HA 0.118 nan 4.420 nan 0.000 0.266 226 P C -0.214 176.963 177.300 -0.204 0.000 1.195 226 P CA 0.292 63.176 63.100 -0.360 0.000 0.768 226 P CB 0.576 32.020 31.700 -0.428 0.000 0.838 227 I N 3.840 124.298 120.570 -0.186 0.000 2.377 227 I HA 0.226 4.410 4.170 0.024 0.000 0.282 227 I C 1.488 177.657 176.117 0.087 0.000 1.091 227 I CA -0.627 60.676 61.300 0.005 0.000 1.207 227 I CB 0.816 38.889 38.000 0.122 0.000 1.429 227 I HN 0.218 nan 8.210 nan 0.000 0.491 228 R N 2.765 123.279 120.500 0.023 0.000 2.120 228 R HA -0.130 4.224 4.340 0.024 0.000 0.234 228 R C 1.065 177.616 176.300 0.419 0.000 1.123 228 R CA 1.133 57.300 56.100 0.110 0.000 0.975 228 R CB -0.283 29.934 30.300 -0.138 0.000 0.866 228 R HN 0.691 nan 8.270 nan 0.000 0.446 229 D N -1.751 118.864 120.400 0.359 0.000 2.368 229 D HA -0.100 4.555 4.640 0.024 0.000 0.218 229 D C 0.121 176.669 176.300 0.413 0.000 1.112 229 D CA -0.619 53.668 54.000 0.478 0.000 0.834 229 D CB -0.749 40.241 40.800 0.317 0.000 0.953 229 D HN 0.070 nan 8.370 nan 0.000 0.505 230 Y N 2.255 122.688 120.300 0.223 0.000 2.717 230 Y HA 0.040 4.604 4.550 0.024 0.000 0.330 230 Y C 0.694 176.631 175.900 0.062 0.000 1.217 230 Y CA 0.677 58.814 58.100 0.062 0.000 1.506 230 Y CB 0.137 38.547 38.460 -0.084 0.000 1.268 230 Y HN -0.097 nan 8.280 nan 0.000 0.561 231 N N 2.770 121.190 118.700 -0.465 0.000 2.741 231 N HA -0.287 4.468 4.740 0.024 0.000 0.250 231 N C 1.078 176.613 175.510 0.042 0.000 1.115 231 N CA 1.319 54.219 53.050 -0.250 0.000 0.724 231 N CB -0.956 37.418 38.487 -0.188 0.000 1.090 231 N HN 0.753 nan 8.380 nan 0.000 0.558 232 K N 0.636 121.079 120.400 0.072 0.000 2.127 232 K HA -0.111 4.224 4.320 0.024 0.000 0.208 232 K C 0.765 177.276 176.600 -0.149 0.000 1.047 232 K CA 1.888 58.092 56.287 -0.137 0.000 0.927 232 K CB 0.022 32.447 32.500 -0.125 0.000 0.716 232 K HN 0.231 nan 8.250 nan 0.000 0.450 233 D N -0.821 119.521 120.400 -0.097 0.000 2.340 233 D HA -0.023 4.632 4.640 0.024 0.000 0.220 233 D C -0.127 176.141 176.300 -0.052 0.000 1.039 233 D CA 0.542 54.494 54.000 -0.081 0.000 0.866 233 D CB 0.010 40.764 40.800 -0.076 0.000 0.913 233 D HN 0.314 nan 8.370 nan 0.000 0.523 234 N N 0.476 119.160 118.700 -0.028 0.000 2.687 234 N HA 0.075 4.829 4.740 0.024 0.000 0.275 234 N C -2.120 173.449 175.510 0.098 0.000 1.789 234 N CA -1.184 51.883 53.050 0.029 0.000 0.806 234 N CB 1.337 39.852 38.487 0.047 0.000 1.256 234 N HN -0.202 nan 8.380 nan 0.000 0.500 235 P HA -0.016 nan 4.420 nan 0.000 0.221 235 P C 0.659 178.097 177.300 0.229 0.000 1.150 235 P CA 0.769 63.968 63.100 0.166 0.000 0.800 235 P CB 0.260 32.007 31.700 0.078 0.000 0.787 236 A N -0.784 122.143 122.820 0.180 0.000 2.462 236 A HA 0.041 4.376 4.320 0.024 0.000 0.261 236 A C 0.820 178.506 177.584 0.169 0.000 1.323 236 A CA -0.351 51.807 52.037 0.203 0.000 0.913 236 A CB -1.408 17.625 19.000 0.055 0.000 1.028 236 A HN 0.152 nan 8.150 nan 0.000 0.511 237 H N 0.888 120.033 119.070 0.125 0.000 3.038 237 H HA 0.058 4.628 4.556 0.024 0.000 0.338 237 H C 0.986 176.362 175.328 0.079 0.000 1.041 237 H CA 0.843 56.936 56.048 0.076 0.000 1.394 237 H CB 0.542 30.377 29.762 0.122 0.000 1.357 237 H HN 0.401 nan 8.280 nan 0.000 0.600 238 R N 3.019 123.357 120.500 -0.271 0.000 2.148 238 R HA -0.079 4.276 4.340 0.024 0.000 0.223 238 R C 0.986 177.099 176.300 -0.312 0.000 1.088 238 R CA 1.352 57.178 56.100 -0.456 0.000 0.985 238 R CB 0.288 29.929 30.300 -1.098 0.000 0.880 238 R HN 0.465 nan 8.270 nan 0.000 0.451 239 F N -1.390 118.792 119.950 0.386 0.000 2.834 239 F HA 0.299 4.841 4.527 0.024 0.000 0.332 239 F C 0.578 176.548 175.800 0.284 0.000 1.056 239 F CA -0.250 57.880 58.000 0.217 0.000 1.178 239 F CB 0.814 39.752 39.000 -0.104 0.000 1.037 239 F HN -0.333 nan 8.300 nan 0.000 0.580 240 R N 0.784 121.572 120.500 0.481 0.000 2.674 240 R HA 0.507 4.861 4.340 0.024 0.000 0.270 240 R C -0.308 176.209 176.300 0.362 0.000 1.492 240 R CA -0.336 55.974 56.100 0.350 0.000 1.624 240 R CB 0.899 31.191 30.300 -0.012 0.000 1.307 240 R HN 0.031 nan 8.270 nan 0.000 0.683 241 A N 0.905 123.964 122.820 0.400 0.000 2.483 241 A HA -0.020 4.315 4.320 0.024 0.000 0.238 241 A C -0.306 177.499 177.584 0.370 0.000 1.070 241 A CA -0.059 52.175 52.037 0.327 0.000 0.770 241 A CB 0.055 19.123 19.000 0.113 0.000 1.008 241 A HN 0.554 nan 8.150 nan 0.000 0.497 242 Y N 2.185 122.599 120.300 0.190 0.000 2.597 242 Y HA 0.357 4.921 4.550 0.024 0.000 0.336 242 Y C 1.181 177.090 175.900 0.015 0.000 1.216 242 Y CA 1.374 59.565 58.100 0.152 0.000 1.463 242 Y CB 0.059 38.553 38.460 0.057 0.000 1.303 242 Y HN 1.759 nan 8.280 nan 0.000 0.576 243 G N 3.222 111.334 108.800 -1.147 0.000 2.527 243 G HA2 -0.131 3.843 3.960 0.024 0.000 0.268 243 G HA3 -0.131 3.843 3.960 0.024 0.000 0.268 243 G C 0.051 174.417 174.900 -0.890 0.000 1.175 243 G CA -0.316 43.898 45.100 -1.476 0.000 0.962 243 G HN 1.488 nan 8.290 nan 0.000 0.560 244 G N -0.909 107.455 108.800 -0.727 0.000 2.371 244 G HA2 0.628 4.602 3.960 0.024 0.000 0.326 244 G HA3 0.628 4.602 3.960 0.024 0.000 0.326 244 G C -0.339 174.467 174.900 -0.156 0.000 1.127 244 G CA 0.769 45.821 45.100 -0.080 0.000 0.885 244 G HN 1.056 nan 8.290 nan 0.000 0.477 245 T N 4.758 119.251 114.554 -0.101 0.000 3.042 245 T HA 0.311 4.676 4.350 0.024 0.000 0.356 245 T C -1.688 172.553 174.700 -0.764 0.000 1.233 245 T CA -0.982 60.888 62.100 -0.385 0.000 1.038 245 T CB 1.854 70.632 68.868 -0.150 0.000 1.089 245 T HN 0.225 nan 8.240 nan 0.000 0.531 246 P HA -0.095 nan 4.420 nan 0.000 0.217 246 P C 1.857 178.643 177.300 -0.858 0.000 1.148 246 P CA 0.733 62.783 63.100 -1.749 0.000 0.828 246 P CB 0.070 30.978 31.700 -1.320 0.000 0.783 247 G N 0.203 108.589 108.800 -0.690 0.000 2.442 247 G HA2 -0.289 3.686 3.960 0.024 0.000 0.219 247 G HA3 -0.289 3.686 3.960 0.024 0.000 0.219 247 G C 1.620 176.576 174.900 0.093 0.000 1.141 247 G CA 0.941 45.709 45.100 -0.553 0.000 0.763 247 G HN 0.344 nan 8.290 nan 0.000 0.554 248 A N 0.155 123.157 122.820 0.303 0.000 1.930 248 A HA 0.048 4.383 4.320 0.024 0.000 0.217 248 A C 2.154 180.086 177.584 0.579 0.000 1.175 248 A CA 1.467 53.797 52.037 0.488 0.000 0.627 248 A CB -0.543 18.769 19.000 0.520 0.000 0.815 248 A HN 0.446 nan 8.150 nan 0.000 0.443 249 W N -0.275 121.181 121.300 0.260 0.000 2.335 249 W HA -0.091 4.583 4.660 0.023 0.000 0.311 249 W C 2.064 178.709 176.519 0.211 0.000 1.213 249 W CA 0.409 57.904 57.345 0.250 0.000 1.274 249 W CB -1.371 28.163 29.460 0.122 0.000 1.148 249 W HN 0.336 nan 8.180 nan 0.000 0.498 250 I N 0.189 120.927 120.570 0.280 0.000 2.439 250 I HA -0.240 3.944 4.170 0.024 0.000 0.251 250 I C 2.499 178.729 176.117 0.187 0.000 1.139 250 I CA 1.532 62.918 61.300 0.144 0.000 1.438 250 I CB -0.280 37.634 38.000 -0.144 0.000 1.085 250 I HN -0.023 nan 8.210 nan 0.000 0.427 251 E N 0.136 120.459 120.200 0.205 0.000 2.058 251 E HA -0.294 4.071 4.350 0.024 0.000 0.194 251 E C 2.035 178.712 176.600 0.129 0.000 0.997 251 E CA 1.826 58.322 56.400 0.159 0.000 0.801 251 E CB -0.285 29.517 29.700 0.171 0.000 0.746 251 E HN 0.531 nan 8.360 nan 0.000 0.450 252 W N 0.389 121.768 121.300 0.131 0.000 2.321 252 W HA -0.141 4.533 4.660 0.024 0.000 0.306 252 W C 2.335 178.910 176.519 0.094 0.000 1.217 252 W CA 1.255 58.666 57.345 0.109 0.000 1.257 252 W CB -0.596 28.959 29.460 0.159 0.000 1.145 252 W HN 0.256 nan 8.180 nan 0.000 0.509 253 G N -0.071 108.942 108.800 0.355 0.000 2.459 253 G HA2 -0.329 3.645 3.960 0.024 0.000 0.217 253 G HA3 -0.329 3.645 3.960 0.024 0.000 0.217 253 G C 1.449 176.408 174.900 0.099 0.000 1.183 253 G CA 1.285 46.510 45.100 0.208 0.000 0.776 253 G HN 0.230 nan 8.290 nan 0.000 0.552 254 R N -0.025 120.522 120.500 0.078 0.000 2.081 254 R HA 0.065 4.419 4.340 0.024 0.000 0.235 254 R C 2.641 178.925 176.300 -0.026 0.000 1.131 254 R CA 1.049 57.133 56.100 -0.026 0.000 0.960 254 R CB -0.374 29.937 30.300 0.019 0.000 0.856 254 R HN 0.402 nan 8.270 nan 0.000 0.436 255 L N 0.198 121.470 121.223 0.081 0.000 2.042 255 L HA -0.218 4.136 4.340 0.024 0.000 0.210 255 L C 2.664 179.598 176.870 0.108 0.000 1.076 255 L CA 1.462 56.371 54.840 0.115 0.000 0.749 255 L CB -0.373 41.671 42.059 -0.025 0.000 0.893 255 L HN 0.321 nan 8.230 nan 0.000 0.432 256 M N -0.639 119.033 119.600 0.120 0.000 2.213 256 M HA -0.206 4.288 4.480 0.024 0.000 0.263 256 M C 2.185 178.467 176.300 -0.029 0.000 1.062 256 M CA 1.628 56.969 55.300 0.068 0.000 1.105 256 M CB -0.259 32.406 32.600 0.108 0.000 1.385 256 M HN 0.291 nan 8.290 nan 0.000 0.417 257 L N -1.603 119.562 121.223 -0.097 0.000 2.179 257 L HA -0.147 4.207 4.340 0.024 0.000 0.208 257 L C 2.476 179.250 176.870 -0.160 0.000 1.096 257 L CA 0.601 55.324 54.840 -0.195 0.000 0.779 257 L CB -0.996 40.868 42.059 -0.325 0.000 0.922 257 L HN 0.344 nan 8.230 nan 0.000 0.443 258 H N 0.136 119.192 119.070 -0.024 0.000 2.352 258 H HA -0.170 4.400 4.556 0.023 0.000 0.299 258 H C 2.376 177.699 175.328 -0.009 0.000 1.097 258 H CA 1.411 57.455 56.048 -0.006 0.000 1.311 258 H CB -0.103 29.656 29.762 -0.006 0.000 1.377 258 H HN 0.296 nan 8.280 nan 0.000 0.504 259 L N 0.030 121.304 121.223 0.085 0.000 2.017 259 L HA -0.244 4.110 4.340 0.024 0.000 0.208 259 L C 2.676 179.516 176.870 -0.051 0.000 1.073 259 L CA 1.571 56.404 54.840 -0.010 0.000 0.745 259 L CB -0.361 41.676 42.059 -0.037 0.000 0.894 259 L HN 0.316 nan 8.230 nan 0.000 0.432 260 H N -0.605 118.369 119.070 -0.159 0.000 2.289 260 H HA -0.251 4.319 4.556 0.023 0.000 0.294 260 H C 2.068 177.312 175.328 -0.141 0.000 1.095 260 H CA 2.141 58.078 56.048 -0.185 0.000 1.256 260 H CB 0.021 29.663 29.762 -0.200 0.000 1.359 260 H HN 0.440 nan 8.280 nan 0.000 0.487 261 A N 0.726 123.624 122.820 0.130 0.000 1.930 261 A HA -0.039 4.296 4.320 0.024 0.000 0.217 261 A C 2.607 180.196 177.584 0.008 0.000 1.175 261 A CA 1.428 53.514 52.037 0.083 0.000 0.627 261 A CB -1.239 17.804 19.000 0.072 0.000 0.815 261 A HN 0.663 nan 8.150 nan 0.000 0.443 262 A N -0.033 122.794 122.820 0.012 0.000 1.883 262 A HA -0.096 4.239 4.320 0.024 0.000 0.217 262 A C 2.174 179.715 177.584 -0.071 0.000 1.186 262 A CA 1.606 53.649 52.037 0.010 0.000 0.624 262 A CB -0.637 18.329 19.000 -0.057 0.000 0.822 262 A HN 0.480 nan 8.150 nan 0.000 0.444 263 L N -0.829 120.303 121.223 -0.152 0.000 2.017 263 L HA -0.203 4.151 4.340 0.024 0.000 0.208 263 L C 2.617 179.380 176.870 -0.179 0.000 1.073 263 L CA 1.657 56.389 54.840 -0.181 0.000 0.745 263 L CB -0.681 41.236 42.059 -0.238 0.000 0.894 263 L HN 0.466 nan 8.230 nan 0.000 0.432 264 E N 0.293 120.367 120.200 -0.211 0.000 2.118 264 E HA -0.253 4.111 4.350 0.024 0.000 0.195 264 E C 2.262 178.692 176.600 -0.284 0.000 0.992 264 E CA 1.199 57.467 56.400 -0.221 0.000 0.804 264 E CB -0.221 29.378 29.700 -0.168 0.000 0.741 264 E HN 0.514 nan 8.360 nan 0.000 0.458 265 A N 1.916 124.614 122.820 -0.204 0.000 2.070 265 A HA -0.187 4.148 4.320 0.024 0.000 0.220 265 A C 1.963 179.377 177.584 -0.283 0.000 1.159 265 A CA 1.331 53.232 52.037 -0.226 0.000 0.656 265 A CB -0.494 18.476 19.000 -0.051 0.000 0.800 265 A HN 0.239 nan 8.150 nan 0.000 0.453 266 R N -2.617 117.784 120.500 -0.165 0.000 2.552 266 R HA 0.386 4.740 4.340 0.024 0.000 0.314 266 R C -0.519 175.859 176.300 0.130 0.000 1.041 266 R CA -0.223 55.877 56.100 0.001 0.000 1.076 266 R CB -0.701 29.618 30.300 0.031 0.000 1.290 266 R HN 0.169 nan 8.270 nan 0.000 0.563 267 F N 0.295 120.226 119.950 -0.032 0.000 3.074 267 F HA -0.257 4.283 4.527 0.023 0.000 0.289 267 F C 0.007 175.776 175.800 -0.051 0.000 0.863 267 F CA 1.118 59.096 58.000 -0.036 0.000 1.121 267 F CB -1.492 37.492 39.000 -0.026 0.000 1.169 267 F HN 0.432 nan 8.300 nan 0.000 0.570 268 E N 0.144 120.349 120.200 0.008 0.000 2.179 268 E HA 0.419 4.783 4.350 0.024 0.000 0.275 268 E C -0.105 176.436 176.600 -0.098 0.000 0.945 268 E CA -0.608 55.774 56.400 -0.031 0.000 0.792 268 E CB 1.322 30.989 29.700 -0.055 0.000 1.125 268 E HN 0.080 nan 8.360 nan 0.000 0.397 269 T N 6.229 120.730 114.554 -0.088 0.000 2.769 269 T HA 0.192 4.557 4.350 0.024 0.000 0.293 269 T C -2.243 172.339 174.700 -0.197 0.000 0.931 269 T CA -1.105 60.916 62.100 -0.132 0.000 1.139 269 T CB 0.471 69.290 68.868 -0.081 0.000 0.881 269 T HN 0.345 nan 8.240 nan 0.000 0.532 270 P HA 0.279 nan 4.420 nan 0.000 0.271 270 P C -2.582 174.532 177.300 -0.311 0.000 1.218 270 P CA -1.748 61.112 63.100 -0.399 0.000 0.780 270 P CB -0.498 30.756 31.700 -0.744 0.000 0.901 271 P HA 0.017 nan 4.420 nan 0.000 0.265 271 P C 0.638 177.730 177.300 -0.345 0.000 1.193 271 P CA 0.193 63.117 63.100 -0.293 0.000 0.765 271 P CB 0.255 31.708 31.700 -0.411 0.000 0.823 272 A N 4.475 127.217 122.820 -0.129 0.000 2.067 272 A HA -0.125 4.210 4.320 0.024 0.000 0.219 272 A C 1.734 179.312 177.584 -0.010 0.000 1.158 272 A CA 0.838 52.850 52.037 -0.041 0.000 0.661 272 A CB -1.250 17.772 19.000 0.038 0.000 0.801 272 A HN 0.835 nan 8.150 nan 0.000 0.452 273 W N -0.079 121.189 121.300 -0.053 0.000 2.465 273 W HA -0.034 4.641 4.660 0.026 0.000 0.268 273 W C 1.125 177.652 176.519 0.013 0.000 1.242 273 W CA 0.579 57.897 57.345 -0.045 0.000 1.248 273 W CB -1.059 28.205 29.460 -0.326 0.000 1.118 273 W HN 0.245 nan 8.180 nan 0.000 0.587 274 L N 0.922 121.827 121.223 -0.531 0.000 1.989 274 L HA -0.266 4.088 4.340 0.024 0.000 0.211 274 L C 2.807 179.624 176.870 -0.088 0.000 1.071 274 L CA 1.502 56.110 54.840 -0.388 0.000 0.749 274 L CB -1.197 40.587 42.059 -0.458 0.000 0.890 274 L HN 0.025 nan 8.230 nan 0.000 0.431 275 L N -0.240 120.940 121.223 -0.070 0.000 2.072 275 L HA -0.155 4.200 4.340 0.024 0.000 0.205 275 L C 2.389 179.250 176.870 -0.015 0.000 1.079 275 L CA 1.639 56.423 54.840 -0.094 0.000 0.752 275 L CB -0.489 41.483 42.059 -0.145 0.000 0.906 275 L HN 0.194 nan 8.230 nan 0.000 0.436 276 E N -0.343 119.895 120.200 0.063 0.000 2.070 276 E HA -0.250 4.114 4.350 0.024 0.000 0.197 276 E C 1.708 178.379 176.600 0.118 0.000 1.004 276 E CA 1.653 58.124 56.400 0.120 0.000 0.805 276 E CB -0.203 29.621 29.700 0.208 0.000 0.744 276 E HN 0.550 nan 8.360 nan 0.000 0.451 277 D N 0.022 120.553 120.400 0.218 0.000 2.194 277 D HA -0.035 4.619 4.640 0.024 0.000 0.204 277 D C 1.818 178.135 176.300 0.028 0.000 0.964 277 D CA 1.007 55.145 54.000 0.229 0.000 0.846 277 D CB -0.235 40.880 40.800 0.525 0.000 0.962 277 D HN 0.164 nan 8.370 nan 0.000 0.490 278 A N 1.372 124.222 122.820 0.050 0.000 1.883 278 A HA -0.241 4.094 4.320 0.024 0.000 0.217 278 A C 2.055 179.636 177.584 -0.005 0.000 1.186 278 A CA 1.561 53.609 52.037 0.019 0.000 0.624 278 A CB -0.414 18.557 19.000 -0.048 0.000 0.822 278 A HN 0.138 nan 8.150 nan 0.000 0.444 279 K N -0.816 119.572 120.400 -0.020 0.000 2.032 279 K HA -0.132 4.203 4.320 0.024 0.000 0.209 279 K C 2.149 178.815 176.600 0.109 0.000 1.048 279 K CA 1.273 57.622 56.287 0.104 0.000 0.927 279 K CB -0.566 32.010 32.500 0.128 0.000 0.712 279 K HN 0.477 nan 8.250 nan 0.000 0.441 280 G N 1.374 109.992 108.800 -0.303 0.000 2.440 280 G HA2 -0.240 3.734 3.960 0.024 0.000 0.218 280 G HA3 -0.240 3.734 3.960 0.024 0.000 0.218 280 G C 1.497 176.069 174.900 -0.546 0.000 1.154 280 G CA 0.758 45.312 45.100 -0.910 0.000 0.767 280 G HN 0.098 nan 8.290 nan 0.000 0.552 281 L N -0.965 120.070 121.223 -0.313 0.000 2.056 281 L HA 0.050 4.404 4.340 0.024 0.000 0.207 281 L C 2.539 179.520 176.870 0.185 0.000 1.078 281 L CA 0.922 55.802 54.840 0.066 0.000 0.749 281 L CB -0.422 41.744 42.059 0.177 0.000 0.901 281 L HN 0.249 nan 8.230 nan 0.000 0.433 282 F N 0.103 120.046 119.950 -0.011 0.000 2.102 282 F HA -0.266 4.276 4.527 0.025 0.000 0.298 282 F C 2.793 178.529 175.800 -0.107 0.000 1.105 282 F CA 1.735 59.688 58.000 -0.079 0.000 1.239 282 F CB -0.203 38.694 39.000 -0.172 0.000 0.991 282 F HN 0.123 nan 8.300 nan 0.000 0.474 283 H N -0.420 118.847 119.070 0.330 0.000 2.428 283 H HA 0.046 4.617 4.556 0.024 0.000 0.296 283 H C 2.334 177.760 175.328 0.164 0.000 1.062 283 H CA 1.049 57.236 56.048 0.231 0.000 1.350 283 H CB -0.649 29.263 29.762 0.250 0.000 1.403 283 H HN 0.420 nan 8.280 nan 0.000 0.533 284 A N 0.701 123.688 122.820 0.278 0.000 1.933 284 A HA -0.138 4.196 4.320 0.024 0.000 0.218 284 A C 2.559 180.409 177.584 0.442 0.000 1.175 284 A CA 1.864 54.107 52.037 0.344 0.000 0.628 284 A CB -0.748 18.434 19.000 0.302 0.000 0.814 284 A HN 0.332 nan 8.150 nan 0.000 0.444 285 T N 0.580 115.332 114.554 0.329 0.000 2.746 285 T HA -0.095 4.269 4.350 0.024 0.000 0.267 285 T C 1.789 176.562 174.700 0.121 0.000 1.039 285 T CA 1.407 63.583 62.100 0.126 0.000 1.142 285 T CB -0.271 68.500 68.868 -0.161 0.000 0.866 285 T HN 0.321 nan 8.240 nan 0.000 0.444 286 I N 1.340 121.916 120.570 0.010 0.000 2.179 286 I HA -0.100 4.084 4.170 0.024 0.000 0.242 286 I C 2.599 178.831 176.117 0.193 0.000 1.088 286 I CA 1.302 62.625 61.300 0.038 0.000 1.357 286 I CB -1.110 36.774 38.000 -0.193 0.000 1.051 286 I HN 0.230 nan 8.210 nan 0.000 0.409 287 R N 0.843 121.467 120.500 0.208 0.000 2.083 287 R HA -0.204 4.150 4.340 0.024 0.000 0.237 287 R C 1.679 178.101 176.300 0.203 0.000 1.137 287 R CA 2.163 58.396 56.100 0.220 0.000 0.951 287 R CB 0.023 30.464 30.300 0.235 0.000 0.851 287 R HN 0.334 nan 8.270 nan 0.000 0.434 288 D N -1.286 119.248 120.400 0.224 0.000 2.324 288 D HA 0.063 4.717 4.640 0.024 0.000 0.212 288 D C 1.131 177.486 176.300 0.090 0.000 0.984 288 D CA 1.174 55.280 54.000 0.176 0.000 0.885 288 D CB 0.416 41.375 40.800 0.264 0.000 0.996 288 D HN 0.358 nan 8.370 nan 0.000 0.505 289 A N -0.505 122.379 122.820 0.108 0.000 2.192 289 A HA 0.067 4.401 4.320 0.024 0.000 0.208 289 A C 0.493 178.153 177.584 0.127 0.000 1.220 289 A CA -0.437 51.656 52.037 0.093 0.000 0.900 289 A CB -0.067 18.949 19.000 0.027 0.000 0.937 289 A HN 0.253 nan 8.150 nan 0.000 0.487 290 W N 1.030 122.271 121.300 -0.098 0.000 2.345 290 W HA 0.392 5.067 4.660 0.026 0.000 0.308 290 W C 0.416 176.807 176.519 -0.214 0.000 1.273 290 W CA -0.157 56.911 57.345 -0.461 0.000 1.243 290 W CB 0.364 29.552 29.460 -0.454 0.000 1.260 290 W HN 0.704 nan 8.180 nan 0.000 0.509 291 A N 6.407 128.522 122.820 -1.174 0.000 2.511 291 A HA -0.231 4.103 4.320 0.024 0.000 0.297 291 A C -1.752 175.620 177.584 -0.352 0.000 1.476 291 A CA 0.907 52.438 52.037 -0.843 0.000 0.757 291 A CB -1.613 16.807 19.000 -0.968 0.000 1.072 291 A HN 0.574 nan 8.150 nan 0.000 0.413 292 P HA 0.159 nan 4.420 nan 0.000 0.261 292 P C 0.055 177.303 177.300 -0.086 0.000 1.268 292 P CA 1.211 64.248 63.100 -0.105 0.000 0.833 292 P CB 0.224 31.884 31.700 -0.068 0.000 1.231 293 D N -2.351 117.977 120.400 -0.121 0.000 2.712 293 D HA 0.237 4.891 4.640 0.024 0.000 0.300 293 D C 1.040 177.284 176.300 -0.093 0.000 1.521 293 D CA -0.299 53.646 54.000 -0.090 0.000 0.790 293 D CB -0.504 40.242 40.800 -0.090 0.000 1.155 293 D HN 0.090 nan 8.370 nan 0.000 0.456 294 G N -0.717 108.023 108.800 -0.101 0.000 2.141 294 G HA2 0.175 4.149 3.960 0.024 0.000 0.242 294 G HA3 0.175 4.149 3.960 0.024 0.000 0.242 294 G C 0.271 175.112 174.900 -0.099 0.000 0.982 294 G CA 0.041 45.092 45.100 -0.081 0.000 0.662 294 G HN 1.131 nan 8.290 nan 0.000 0.527 295 A N -0.710 122.016 122.820 -0.157 0.000 2.572 295 A HA 0.684 5.019 4.320 0.024 0.000 0.295 295 A C -0.498 176.905 177.584 -0.302 0.000 1.072 295 A CA -0.277 51.658 52.037 -0.170 0.000 0.691 295 A CB 1.116 20.022 19.000 -0.157 0.000 1.291 295 A HN 0.096 nan 8.150 nan 0.000 0.404 296 D N 0.067 120.313 120.400 -0.258 0.000 2.362 296 D HA 0.495 5.150 4.640 0.024 0.000 0.238 296 D C 0.773 176.666 176.300 -0.679 0.000 1.212 296 D CA 2.053 55.753 54.000 -0.500 0.000 0.902 296 D CB 0.823 41.652 40.800 0.048 0.000 1.180 296 D HN 1.564 nan 8.370 nan 0.000 0.445 297 G N -0.589 107.291 108.800 -1.535 0.000 2.515 297 G HA2 -0.061 3.913 3.960 0.024 0.000 0.686 297 G HA3 -0.061 3.913 3.960 0.024 0.000 0.686 297 G C -1.213 173.129 174.900 -0.929 0.000 1.274 297 G CA -1.040 43.399 45.100 -1.101 0.000 0.874 297 G HN 0.261 nan 8.290 nan 0.000 0.631 298 F N 0.957 120.698 119.950 -0.348 0.000 2.405 298 F HA 0.502 5.043 4.527 0.023 0.000 0.355 298 F C 1.464 177.117 175.800 -0.246 0.000 1.121 298 F CA -0.221 57.627 58.000 -0.255 0.000 1.112 298 F CB 1.615 40.437 39.000 -0.298 0.000 1.126 298 F HN 0.579 nan 8.300 nan 0.000 0.481 299 V N 2.027 121.921 119.914 -0.034 0.000 3.237 299 V HA -0.057 4.077 4.120 0.024 0.000 0.305 299 V C 0.576 176.647 176.094 -0.039 0.000 1.096 299 V CA -0.247 62.027 62.300 -0.043 0.000 1.130 299 V CB 0.426 32.212 31.823 -0.061 0.000 1.048 299 V HN 0.822 nan 8.190 nan 0.000 0.484 300 Y N 1.830 122.044 120.300 -0.144 0.000 2.231 300 Y HA 0.204 4.768 4.550 0.024 0.000 0.294 300 Y C 1.461 177.267 175.900 -0.156 0.000 1.120 300 Y CA 0.917 58.922 58.100 -0.158 0.000 1.141 300 Y CB -0.010 38.411 38.460 -0.066 0.000 1.022 300 Y HN 1.020 nan 8.280 nan 0.000 0.523 301 S N -0.203 115.397 115.700 -0.166 0.000 2.588 301 S HA 0.712 5.196 4.470 0.024 0.000 0.275 301 S C -1.060 173.448 174.600 -0.153 0.000 1.130 301 S CA -0.220 57.828 58.200 -0.253 0.000 0.855 301 S CB 1.824 64.914 63.200 -0.183 0.000 1.116 301 S HN 0.498 nan 8.310 nan 0.000 0.472 302 V N -0.960 118.845 119.914 -0.181 0.000 3.040 302 V HA 0.822 4.957 4.120 0.024 0.000 0.312 302 V C -0.646 175.349 176.094 -0.166 0.000 1.115 302 V CA -1.004 61.233 62.300 -0.105 0.000 0.998 302 V CB 1.392 33.185 31.823 -0.049 0.000 1.042 302 V HN 1.085 nan 8.190 nan 0.000 0.433 303 D N 1.127 121.477 120.400 -0.084 0.000 2.414 303 D HA 0.159 4.814 4.640 0.024 0.000 0.259 303 D C 0.573 176.750 176.300 -0.204 0.000 1.269 303 D CA -0.449 53.460 54.000 -0.152 0.000 1.028 303 D CB 0.354 41.199 40.800 0.074 0.000 1.093 303 D HN 0.709 nan 8.370 nan 0.000 0.545 304 W N -1.161 120.207 121.300 0.114 0.000 2.825 304 W HA 0.058 4.733 4.660 0.024 0.000 0.243 304 W C 0.850 177.411 176.519 0.071 0.000 1.293 304 W CA -0.093 57.292 57.345 0.066 0.000 1.403 304 W CB 0.203 29.678 29.460 0.024 0.000 1.134 304 W HN 0.242 nan 8.180 nan 0.000 0.666 305 D N -0.791 119.753 120.400 0.240 0.000 2.349 305 D HA 0.119 4.773 4.640 0.024 0.000 0.214 305 D C 1.894 178.287 176.300 0.154 0.000 1.063 305 D CA 0.999 55.104 54.000 0.176 0.000 0.847 305 D CB 0.353 41.234 40.800 0.136 0.000 0.933 305 D HN 0.214 nan 8.370 nan 0.000 0.513 306 G N 1.858 110.755 108.800 0.162 0.000 2.157 306 G HA2 -0.297 3.677 3.960 0.024 0.000 0.248 306 G HA3 -0.297 3.677 3.960 0.024 0.000 0.248 306 G C 0.433 175.396 174.900 0.104 0.000 0.979 306 G CA 0.235 45.437 45.100 0.170 0.000 0.650 306 G HN 0.329 nan 8.290 nan 0.000 0.529 307 K N 1.459 121.904 120.400 0.075 0.000 2.249 307 K HA 0.577 4.912 4.320 0.024 0.000 0.280 307 K C -2.222 174.391 176.600 0.020 0.000 1.033 307 K CA -1.974 54.341 56.287 0.046 0.000 0.946 307 K CB 0.741 33.268 32.500 0.046 0.000 1.005 307 K HN 0.049 nan 8.250 nan 0.000 0.469 308 P HA 0.005 nan 4.420 nan 0.000 0.266 308 P C -0.310 176.989 177.300 -0.002 0.000 1.195 308 P CA 0.224 63.316 63.100 -0.014 0.000 0.768 308 P CB 0.559 32.243 31.700 -0.026 0.000 0.838 309 I N 1.356 121.928 120.570 0.004 0.000 3.744 309 I HA 0.049 4.234 4.170 0.024 0.000 0.240 309 I C 0.212 176.349 176.117 0.033 0.000 1.096 309 I CA 0.224 61.538 61.300 0.024 0.000 1.558 309 I CB -0.067 37.969 38.000 0.060 0.000 1.531 309 I HN -0.033 nan 8.210 nan 0.000 0.459 310 V N 2.840 122.797 119.914 0.072 0.000 2.368 310 V HA 0.199 4.333 4.120 0.024 0.000 0.266 310 V C 0.865 177.008 176.094 0.082 0.000 1.045 310 V CA 0.012 62.377 62.300 0.108 0.000 0.899 310 V CB 0.776 32.754 31.823 0.257 0.000 1.006 310 V HN 0.302 nan 8.190 nan 0.000 0.470 311 R N 1.684 122.201 120.500 0.027 0.000 2.312 311 R HA 0.137 4.492 4.340 0.024 0.000 0.205 311 R C 0.233 176.522 176.300 -0.020 0.000 0.904 311 R CA -0.210 55.884 56.100 -0.010 0.000 1.052 311 R CB 0.325 30.604 30.300 -0.035 0.000 1.014 311 R HN 0.644 nan 8.270 nan 0.000 0.503 312 E N 1.319 121.515 120.200 -0.008 0.000 2.481 312 E HA -0.051 4.313 4.350 0.024 0.000 0.263 312 E C -0.412 176.178 176.600 -0.017 0.000 0.992 312 E CA 0.574 56.957 56.400 -0.028 0.000 0.938 312 E CB 0.410 30.080 29.700 -0.050 0.000 0.933 312 E HN -0.146 nan 8.360 nan 0.000 0.453 313 R N 1.803 122.291 120.500 -0.020 0.000 2.230 313 R HA 0.260 4.614 4.340 0.024 0.000 0.337 313 R C -0.871 175.434 176.300 0.008 0.000 1.063 313 R CA -0.332 55.768 56.100 0.000 0.000 0.935 313 R CB 0.462 30.791 30.300 0.048 0.000 1.121 313 R HN 0.219 nan 8.270 nan 0.000 0.486 314 V N 3.173 123.056 119.914 -0.052 0.000 2.953 314 V HA 0.173 4.307 4.120 0.024 0.000 0.304 314 V C 1.874 177.895 176.094 -0.121 0.000 1.073 314 V CA -0.442 61.809 62.300 -0.082 0.000 1.064 314 V CB 1.497 33.247 31.823 -0.123 0.000 1.047 314 V HN 0.737 nan 8.190 nan 0.000 0.478 315 R N 2.236 122.703 120.500 -0.056 0.000 2.066 315 R HA -0.116 4.238 4.340 0.024 0.000 0.232 315 R C 2.257 178.489 176.300 -0.112 0.000 1.131 315 R CA 2.255 58.364 56.100 0.016 0.000 0.955 315 R CB -0.182 30.164 30.300 0.076 0.000 0.851 315 R HN 0.956 nan 8.270 nan 0.000 0.432 316 W N 0.765 121.928 121.300 -0.228 0.000 2.363 316 W HA 0.002 4.675 4.660 0.023 0.000 0.296 316 W C -1.362 174.984 176.519 -0.288 0.000 1.212 316 W CA 0.406 57.500 57.345 -0.419 0.000 1.260 316 W CB -1.939 26.954 29.460 -0.945 0.000 1.131 316 W HN 0.102 nan 8.180 nan 0.000 0.530 317 P HA -0.189 nan 4.420 nan 0.000 0.215 317 P C 2.124 179.057 177.300 -0.612 0.000 1.153 317 P CA 2.130 64.677 63.100 -0.922 0.000 0.853 317 P CB -0.370 30.711 31.700 -1.031 0.000 0.788 318 I N -1.067 119.278 120.570 -0.375 0.000 2.353 318 I HA -0.170 4.014 4.170 0.024 0.000 0.248 318 I C 1.810 177.799 176.117 -0.214 0.000 1.119 318 I CA 1.078 62.213 61.300 -0.276 0.000 1.417 318 I CB -0.123 37.860 38.000 -0.029 0.000 1.078 318 I HN -0.225 nan 8.210 nan 0.000 0.421 319 V N 1.235 121.086 119.914 -0.104 0.000 2.287 319 V HA -0.263 3.872 4.120 0.024 0.000 0.248 319 V C 2.500 178.613 176.094 0.031 0.000 1.053 319 V CA 1.864 64.135 62.300 -0.049 0.000 1.027 319 V CB -0.751 31.017 31.823 -0.092 0.000 0.646 319 V HN 0.439 nan 8.190 nan 0.000 0.447 320 E N 0.290 120.514 120.200 0.041 0.000 2.077 320 E HA -0.168 4.196 4.350 0.024 0.000 0.193 320 E C 2.387 178.999 176.600 0.021 0.000 0.989 320 E CA 1.462 57.931 56.400 0.116 0.000 0.800 320 E CB -0.645 29.175 29.700 0.201 0.000 0.746 320 E HN 0.569 nan 8.360 nan 0.000 0.452 321 A N 1.100 123.781 122.820 -0.233 0.000 1.917 321 A HA -0.221 4.113 4.320 0.024 0.000 0.219 321 A C 2.311 180.031 177.584 0.227 0.000 1.182 321 A CA 2.023 53.870 52.037 -0.318 0.000 0.633 321 A CB -0.580 17.711 19.000 -1.182 0.000 0.819 321 A HN 0.192 nan 8.150 nan 0.000 0.448 322 M N -0.630 119.135 119.600 0.274 0.000 2.086 322 M HA -0.080 4.415 4.480 0.024 0.000 0.261 322 M C 2.333 179.030 176.300 0.662 0.000 1.067 322 M CA 1.519 57.194 55.300 0.625 0.000 1.116 322 M CB -0.673 32.113 32.600 0.310 0.000 1.348 322 M HN 0.481 nan 8.290 nan 0.000 0.407 323 G N -0.457 108.602 108.800 0.432 0.000 2.446 323 G HA2 -0.211 3.763 3.960 0.024 0.000 0.217 323 G HA3 -0.211 3.763 3.960 0.024 0.000 0.217 323 G C 1.496 176.601 174.900 0.341 0.000 1.168 323 G CA 1.661 46.990 45.100 0.381 0.000 0.771 323 G HN 0.414 nan 8.290 nan 0.000 0.551 324 T N 1.506 116.246 114.554 0.309 0.000 2.857 324 T HA 0.135 4.499 4.350 0.024 0.000 0.266 324 T C 2.811 177.646 174.700 0.224 0.000 1.048 324 T CA 1.244 63.485 62.100 0.235 0.000 1.139 324 T CB -0.301 68.734 68.868 0.279 0.000 0.874 324 T HN 0.377 nan 8.240 nan 0.000 0.455 325 A N 0.959 124.092 122.820 0.521 0.000 1.908 325 A HA -0.149 4.185 4.320 0.024 0.000 0.218 325 A C 2.076 179.818 177.584 0.263 0.000 1.181 325 A CA 1.747 54.076 52.037 0.486 0.000 0.627 325 A CB -1.106 18.428 19.000 0.890 0.000 0.818 325 A HN 0.589 nan 8.150 nan 0.000 0.445 326 Y N 0.687 121.069 120.300 0.136 0.000 2.097 326 Y HA -0.142 4.420 4.550 0.021 0.000 0.282 326 Y C 2.657 178.368 175.900 -0.316 0.000 1.152 326 Y CA 1.504 59.371 58.100 -0.388 0.000 1.136 326 Y CB -0.698 37.557 38.460 -0.341 0.000 0.975 326 Y HN 0.311 nan 8.280 nan 0.000 0.498 327 A N 0.456 123.105 122.820 -0.285 0.000 1.883 327 A HA -0.192 4.142 4.320 0.024 0.000 0.217 327 A C 2.351 179.625 177.584 -0.517 0.000 1.186 327 A CA 2.034 53.809 52.037 -0.436 0.000 0.624 327 A CB -1.260 17.567 19.000 -0.290 0.000 0.822 327 A HN 0.576 nan 8.150 nan 0.000 0.444 328 L N -2.251 118.647 121.223 -0.542 0.000 2.083 328 L HA -0.192 4.162 4.340 0.024 0.000 0.209 328 L C 2.576 179.041 176.870 -0.675 0.000 1.083 328 L CA 1.771 56.124 54.840 -0.812 0.000 0.752 328 L CB -0.592 40.555 42.059 -1.519 0.000 0.899 328 L HN 0.628 nan 8.230 nan 0.000 0.433 329 Y N 0.688 120.661 120.300 -0.544 0.000 2.165 329 Y HA -0.315 4.247 4.550 0.021 0.000 0.286 329 Y C 2.618 178.307 175.900 -0.352 0.000 1.155 329 Y CA 2.237 60.187 58.100 -0.250 0.000 1.164 329 Y CB -0.354 38.046 38.460 -0.101 0.000 0.978 329 Y HN 0.060 nan 8.280 nan 0.000 0.513 330 T N 1.227 115.440 114.554 -0.569 0.000 2.746 330 T HA -0.161 4.203 4.350 0.024 0.000 0.267 330 T C 1.812 176.232 174.700 -0.466 0.000 1.039 330 T CA 1.444 63.197 62.100 -0.578 0.000 1.142 330 T CB -0.302 68.148 68.868 -0.697 0.000 0.866 330 T HN 0.220 nan 8.240 nan 0.000 0.444 331 L N 1.212 122.162 121.223 -0.455 0.000 2.179 331 L HA 0.025 4.379 4.340 0.024 0.000 0.208 331 L C 2.807 179.491 176.870 -0.311 0.000 1.096 331 L CA 1.886 56.494 54.840 -0.387 0.000 0.779 331 L CB -1.328 40.456 42.059 -0.458 0.000 0.922 331 L HN 0.501 nan 8.230 nan 0.000 0.443 332 T N -5.936 108.431 114.554 -0.312 0.000 3.023 332 T HA 0.027 4.391 4.350 0.024 0.000 0.249 332 T C 0.697 175.285 174.700 -0.186 0.000 1.050 332 T CA 0.350 62.342 62.100 -0.181 0.000 1.088 332 T CB 0.407 69.250 68.868 -0.041 0.000 0.946 332 T HN 0.261 nan 8.240 nan 0.000 0.480 333 D N 1.323 121.499 120.400 -0.373 0.000 3.090 333 D HA -0.131 4.524 4.640 0.024 0.000 0.215 333 D C -0.589 175.608 176.300 -0.171 0.000 1.140 333 D CA 1.052 54.777 54.000 -0.457 0.000 0.937 333 D CB -1.416 39.234 40.800 -0.250 0.000 1.108 333 D HN 0.541 nan 8.370 nan 0.000 0.420 334 D N 0.780 121.185 120.400 0.008 0.000 2.316 334 D HA 0.196 4.850 4.640 0.024 0.000 0.245 334 D C 1.335 177.809 176.300 0.290 0.000 1.171 334 D CA 0.174 54.261 54.000 0.145 0.000 0.856 334 D CB 1.107 42.003 40.800 0.161 0.000 1.090 334 D HN 0.050 nan 8.370 nan 0.000 0.476 335 S N 2.936 118.769 115.700 0.221 0.000 2.474 335 S HA -0.269 4.215 4.470 0.024 0.000 0.235 335 S C 1.758 176.385 174.600 0.045 0.000 0.997 335 S CA 0.994 59.321 58.200 0.212 0.000 0.949 335 S CB -0.416 62.847 63.200 0.105 0.000 0.766 335 S HN 0.716 nan 8.310 nan 0.000 0.517 336 Q N 0.606 120.372 119.800 -0.057 0.000 2.152 336 Q HA -0.237 4.118 4.340 0.024 0.000 0.206 336 Q C 1.646 177.596 176.000 -0.084 0.000 0.985 336 Q CA 1.756 57.456 55.803 -0.171 0.000 0.863 336 Q CB -0.967 27.631 28.738 -0.233 0.000 0.904 336 Q HN 0.715 nan 8.270 nan 0.000 0.422 337 Y N 1.032 121.445 120.300 0.188 0.000 2.242 337 Y HA -0.128 4.436 4.550 0.023 0.000 0.291 337 Y C 2.456 178.499 175.900 0.238 0.000 1.137 337 Y CA 1.276 59.505 58.100 0.215 0.000 1.181 337 Y CB -0.004 38.528 38.460 0.119 0.000 0.989 337 Y HN 0.287 nan 8.280 nan 0.000 0.527 338 E N 0.795 121.143 120.200 0.245 0.000 2.077 338 E HA -0.229 4.136 4.350 0.024 0.000 0.193 338 E C 1.742 178.162 176.600 -0.299 0.000 0.989 338 E CA 1.424 57.704 56.400 -0.199 0.000 0.800 338 E CB 0.003 29.398 29.700 -0.508 0.000 0.746 338 E HN 0.531 nan 8.360 nan 0.000 0.452 339 E N -0.372 119.657 120.200 -0.286 0.000 2.085 339 E HA -0.211 4.153 4.350 0.024 0.000 0.194 339 E C 1.729 178.008 176.600 -0.535 0.000 0.994 339 E CA 1.420 57.552 56.400 -0.447 0.000 0.801 339 E CB -0.228 29.192 29.700 -0.466 0.000 0.743 339 E HN 0.448 nan 8.360 nan 0.000 0.453 340 W N -0.023 121.002 121.300 -0.458 0.000 2.358 340 W HA -0.205 4.469 4.660 0.023 0.000 0.303 340 W C 2.294 178.255 176.519 -0.930 0.000 1.208 340 W CA 1.006 57.792 57.345 -0.931 0.000 1.274 340 W CB -0.463 28.458 29.460 -0.897 0.000 1.138 340 W HN 0.169 nan 8.180 nan 0.000 0.515 341 Y N 1.411 121.605 120.300 -0.176 0.000 2.128 341 Y HA -0.358 4.207 4.550 0.025 0.000 0.284 341 Y C 2.354 178.254 175.900 0.001 0.000 1.154 341 Y CA 2.417 60.581 58.100 0.107 0.000 1.149 341 Y CB -0.697 37.884 38.460 0.202 0.000 0.976 341 Y HN 0.029 nan 8.280 nan 0.000 0.505 342 Q N 0.167 119.776 119.800 -0.317 0.000 2.050 342 Q HA -0.222 4.132 4.340 0.024 0.000 0.202 342 Q C 2.345 178.165 176.000 -0.301 0.000 0.980 342 Q CA 1.890 57.308 55.803 -0.641 0.000 0.840 342 Q CB -0.265 27.796 28.738 -1.128 0.000 0.898 342 Q HN 0.438 nan 8.270 nan 0.000 0.424 343 K N -0.010 120.175 120.400 -0.358 0.000 2.044 343 K HA -0.201 4.133 4.320 0.024 0.000 0.210 343 K C 1.674 178.304 176.600 0.051 0.000 1.049 343 K CA 1.600 57.743 56.287 -0.240 0.000 0.927 343 K CB -0.046 32.145 32.500 -0.516 0.000 0.713 343 K HN 0.269 nan 8.250 nan 0.000 0.443 344 W N -0.261 121.044 121.300 0.008 0.000 2.418 344 W HA -0.083 4.591 4.660 0.023 0.000 0.292 344 W C 1.880 178.459 176.519 0.100 0.000 1.213 344 W CA 0.094 57.461 57.345 0.037 0.000 1.283 344 W CB -1.341 28.098 29.460 -0.034 0.000 1.119 344 W HN 0.248 nan 8.180 nan 0.000 0.542 345 W N 1.240 122.670 121.300 0.216 0.000 2.335 345 W HA -0.240 4.435 4.660 0.025 0.000 0.311 345 W C 2.127 178.739 176.519 0.155 0.000 1.213 345 W CA 1.417 58.861 57.345 0.165 0.000 1.274 345 W CB -0.431 29.116 29.460 0.144 0.000 1.148 345 W HN -0.235 nan 8.180 nan 0.000 0.498 346 D N -1.202 119.437 120.400 0.399 0.000 2.123 346 D HA -0.270 4.385 4.640 0.024 0.000 0.196 346 D C 1.588 178.041 176.300 0.254 0.000 0.992 346 D CA 1.614 55.769 54.000 0.258 0.000 0.833 346 D CB -1.014 39.889 40.800 0.172 0.000 0.954 346 D HN 0.279 nan 8.370 nan 0.000 0.455 347 Y N 0.976 121.426 120.300 0.249 0.000 2.181 347 Y HA -0.257 4.307 4.550 0.023 0.000 0.288 347 Y C 2.390 178.431 175.900 0.235 0.000 1.146 347 Y CA 1.367 59.656 58.100 0.315 0.000 1.164 347 Y CB -0.337 38.424 38.460 0.503 0.000 0.982 347 Y HN -0.021 nan 8.280 nan 0.000 0.515 348 C N 0.344 119.878 119.300 0.391 0.000 2.432 348 C HA -0.204 4.271 4.460 0.024 0.000 0.277 348 C C 2.731 177.626 174.990 -0.158 0.000 1.249 348 C CA 1.421 60.488 59.018 0.082 0.000 1.725 348 C CB -1.396 26.324 27.740 -0.033 0.000 2.028 348 C HN 0.755 nan 8.230 nan 0.000 0.477 349 I N 0.614 121.185 120.570 0.001 0.000 2.394 349 I HA -0.195 3.989 4.170 0.024 0.000 0.251 349 I C 2.566 178.605 176.117 -0.129 0.000 1.136 349 I CA 1.499 62.769 61.300 -0.050 0.000 1.425 349 I CB -0.380 37.668 38.000 0.080 0.000 1.079 349 I HN 0.336 nan 8.210 nan 0.000 0.425 350 K N -0.180 120.090 120.400 -0.215 0.000 2.097 350 K HA -0.187 4.148 4.320 0.024 0.000 0.205 350 K C 1.386 177.661 176.600 -0.542 0.000 1.050 350 K CA 1.853 57.863 56.287 -0.462 0.000 0.938 350 K CB -0.023 32.030 32.500 -0.744 0.000 0.718 350 K HN 0.433 nan 8.250 nan 0.000 0.442 351 Y N -1.628 118.530 120.300 -0.237 0.000 2.512 351 Y HA 0.170 4.734 4.550 0.024 0.000 0.268 351 Y C 1.568 177.454 175.900 -0.022 0.000 1.102 351 Y CA -0.440 57.532 58.100 -0.213 0.000 1.261 351 Y CB 0.681 38.831 38.460 -0.517 0.000 1.250 351 Y HN -0.119 nan 8.280 nan 0.000 0.506 352 L N -0.672 120.568 121.223 0.028 0.000 2.362 352 L HA 0.199 4.553 4.340 0.024 0.000 0.204 352 L C 0.447 177.141 176.870 -0.294 0.000 1.060 352 L CA 0.134 55.014 54.840 0.066 0.000 0.827 352 L CB 0.141 42.275 42.059 0.126 0.000 1.027 352 L HN 0.066 nan 8.230 nan 0.000 0.474 353 M N 0.967 120.160 119.600 -0.679 0.000 2.239 353 M HA -0.015 4.480 4.480 0.024 0.000 0.348 353 M C -0.498 175.397 176.300 -0.675 0.000 1.239 353 M CA 0.511 55.229 55.300 -0.970 0.000 1.114 353 M CB 0.263 32.277 32.600 -0.977 0.000 1.641 353 M HN -0.104 nan 8.290 nan 0.000 0.453 354 D N 2.313 122.260 120.400 -0.756 0.000 2.432 354 D HA 0.182 4.837 4.640 0.024 0.000 0.265 354 D C -0.120 175.916 176.300 -0.440 0.000 1.160 354 D CA -0.208 53.381 54.000 -0.684 0.000 0.911 354 D CB 0.252 40.334 40.800 -1.196 0.000 1.052 354 D HN 0.469 nan 8.370 nan 0.000 0.508 355 Y N 1.050 121.241 120.300 -0.182 0.000 2.439 355 Y HA -0.070 4.494 4.550 0.023 0.000 0.292 355 Y C 2.112 177.973 175.900 -0.066 0.000 1.130 355 Y CA 0.504 58.543 58.100 -0.102 0.000 1.254 355 Y CB 0.374 38.794 38.460 -0.067 0.000 1.000 355 Y HN 0.352 nan 8.280 nan 0.000 0.554 356 E N 0.655 120.899 120.200 0.074 0.000 2.028 356 E HA -0.149 4.216 4.350 0.024 0.000 0.191 356 E C 1.388 178.020 176.600 0.052 0.000 0.988 356 E CA 1.738 58.181 56.400 0.073 0.000 0.799 356 E CB -0.098 29.660 29.700 0.097 0.000 0.755 356 E HN 0.332 nan 8.360 nan 0.000 0.447 357 N N -0.762 117.932 118.700 -0.011 0.000 2.294 357 N HA 0.211 4.965 4.740 0.024 0.000 0.186 357 N C 0.072 175.629 175.510 0.078 0.000 1.107 357 N CA 0.832 53.907 53.050 0.042 0.000 0.884 357 N CB 1.515 40.036 38.487 0.056 0.000 1.030 357 N HN 0.212 nan 8.380 nan 0.000 0.482 358 G N 0.586 109.350 108.800 -0.061 0.000 2.539 358 G HA2 0.074 4.049 3.960 0.024 0.000 0.686 358 G HA3 0.074 4.049 3.960 0.024 0.000 0.686 358 G C -0.190 174.413 174.900 -0.494 0.000 1.258 358 G CA -0.219 44.841 45.100 -0.066 0.000 0.846 358 G HN 0.256 nan 8.290 nan 0.000 0.647 359 S N -1.542 113.836 115.700 -0.536 0.000 3.236 359 S HA -0.148 4.336 4.470 0.024 0.000 0.629 359 S C 0.004 174.486 174.600 -0.196 0.000 2.873 359 S CA 2.111 59.959 58.200 -0.586 0.000 3.603 359 S CB -0.996 61.354 63.200 -1.416 0.000 0.287 359 S HN 2.006 nan 8.310 nan 0.000 1.458 360 W N -0.037 120.913 121.300 -0.583 0.000 2.864 360 W HA 0.634 5.307 4.660 0.022 0.000 0.343 360 W C -0.656 175.631 176.519 -0.387 0.000 1.109 360 W CA -1.494 55.569 57.345 -0.469 0.000 1.192 360 W CB -0.275 29.042 29.460 -0.239 0.000 1.426 360 W HN 0.714 nan 8.180 nan 0.000 0.529 361 W N 1.696 123.068 121.300 0.121 0.000 2.209 361 W HA 0.081 4.756 4.660 0.025 0.000 0.344 361 W C 1.767 178.338 176.519 0.086 0.000 1.285 361 W CA 0.002 57.394 57.345 0.079 0.000 1.267 361 W CB 0.324 29.823 29.460 0.064 0.000 1.167 361 W HN 0.381 nan 8.180 nan 0.000 0.574 362 Q N 0.891 120.893 119.800 0.336 0.000 2.250 362 Q HA -0.015 4.339 4.340 0.024 0.000 0.200 362 Q C -0.117 175.963 176.000 0.135 0.000 0.941 362 Q CA 1.305 57.196 55.803 0.145 0.000 0.872 362 Q CB 0.364 29.150 28.738 0.080 0.000 0.965 362 Q HN 0.520 nan 8.270 nan 0.000 0.480 363 E N -0.557 119.751 120.200 0.181 0.000 2.354 363 E HA 0.381 4.746 4.350 0.024 0.000 0.283 363 E C -1.645 174.988 176.600 0.054 0.000 0.938 363 E CA -0.428 56.039 56.400 0.112 0.000 0.777 363 E CB 0.884 30.664 29.700 0.133 0.000 1.222 363 E HN 0.218 nan 8.360 nan 0.000 0.423 364 L N 2.357 123.594 121.223 0.024 0.000 2.323 364 L HA 0.506 4.860 4.340 0.024 0.000 0.265 364 L C 0.118 176.955 176.870 -0.055 0.000 1.012 364 L CA -1.221 53.595 54.840 -0.041 0.000 0.820 364 L CB 1.366 43.402 42.059 -0.038 0.000 1.334 364 L HN 0.637 nan 8.230 nan 0.000 0.427 365 D N 0.890 121.240 120.400 -0.084 0.000 2.414 365 D HA 0.153 4.807 4.640 0.024 0.000 0.259 365 D C 0.923 177.169 176.300 -0.091 0.000 1.269 365 D CA -0.144 53.809 54.000 -0.078 0.000 1.028 365 D CB 0.727 41.480 40.800 -0.078 0.000 1.093 365 D HN 0.562 nan 8.370 nan 0.000 0.545 366 A N -0.701 122.068 122.820 -0.085 0.000 2.172 366 A HA -0.091 4.244 4.320 0.024 0.000 0.216 366 A C 1.015 178.523 177.584 -0.126 0.000 1.154 366 A CA 0.944 52.921 52.037 -0.100 0.000 0.701 366 A CB -0.425 18.526 19.000 -0.081 0.000 0.789 366 A HN 0.514 nan 8.150 nan 0.000 0.465 367 D N -0.006 120.317 120.400 -0.128 0.000 2.368 367 D HA 0.050 4.704 4.640 0.024 0.000 0.218 367 D C -0.240 175.920 176.300 -0.233 0.000 1.112 367 D CA -0.104 53.807 54.000 -0.149 0.000 0.834 367 D CB -0.046 40.693 40.800 -0.101 0.000 0.953 367 D HN 0.325 nan 8.370 nan 0.000 0.505 368 N N 1.196 119.736 118.700 -0.267 0.000 2.776 368 N HA -0.187 4.567 4.740 0.024 0.000 0.250 368 N C 0.067 175.419 175.510 -0.262 0.000 1.112 368 N CA 0.671 53.478 53.050 -0.406 0.000 0.733 368 N CB -1.143 36.717 38.487 -1.045 0.000 1.097 368 N HN 0.395 nan 8.380 nan 0.000 0.558 369 K N 0.978 121.278 120.400 -0.166 0.000 2.159 369 K HA 0.413 4.747 4.320 0.024 0.000 0.266 369 K C 0.237 176.721 176.600 -0.194 0.000 0.975 369 K CA -0.444 55.760 56.287 -0.138 0.000 0.865 369 K CB 1.851 34.285 32.500 -0.111 0.000 1.087 369 K HN -0.036 nan 8.250 nan 0.000 0.446 370 V N 3.636 123.353 119.914 -0.327 0.000 2.720 370 V HA 0.044 4.178 4.120 0.024 0.000 0.307 370 V C -0.186 175.728 176.094 -0.301 0.000 1.071 370 V CA 1.154 63.164 62.300 -0.482 0.000 1.199 370 V CB 0.914 32.033 31.823 -1.172 0.000 0.900 370 V HN 0.984 nan 8.190 nan 0.000 0.494 371 T N 4.135 118.573 114.554 -0.194 0.000 2.812 371 T HA 0.587 4.952 4.350 0.024 0.000 0.294 371 T C -0.795 173.880 174.700 -0.041 0.000 1.159 371 T CA -0.243 61.792 62.100 -0.109 0.000 1.008 371 T CB 1.992 70.815 68.868 -0.076 0.000 1.289 371 T HN 0.785 nan 8.240 nan 0.000 0.514 372 T N 2.539 117.086 114.554 -0.012 0.000 2.847 372 T HA 0.561 4.926 4.350 0.024 0.000 0.291 372 T C 0.042 174.753 174.700 0.017 0.000 0.998 372 T CA -0.651 61.472 62.100 0.038 0.000 0.967 372 T CB 1.622 70.519 68.868 0.049 0.000 0.954 372 T HN 0.500 nan 8.240 nan 0.000 0.441 373 K N 2.277 122.691 120.400 0.024 0.000 3.118 373 K HA 0.175 4.509 4.320 0.024 0.000 0.239 373 K C 1.495 178.064 176.600 -0.051 0.000 2.173 373 K CA 0.272 56.548 56.287 -0.018 0.000 1.423 373 K CB -0.126 32.355 32.500 -0.031 0.000 2.463 373 K HN 0.308 nan 8.250 nan 0.000 0.515 374 V N 0.668 120.539 119.914 -0.072 0.000 2.488 374 V HA -0.023 4.111 4.120 0.024 0.000 0.246 374 V C 0.947 176.856 176.094 -0.309 0.000 1.046 374 V CA 1.222 63.390 62.300 -0.220 0.000 1.053 374 V CB -0.173 31.460 31.823 -0.317 0.000 0.679 374 V HN 0.242 nan 8.190 nan 0.000 0.458 375 W N -1.628 119.666 121.300 -0.010 0.000 3.349 375 W HA 0.599 5.275 4.660 0.025 0.000 0.325 375 W C -0.820 175.791 176.519 0.153 0.000 1.198 375 W CA -0.387 57.016 57.345 0.098 0.000 0.985 375 W CB 0.997 30.521 29.460 0.106 0.000 1.556 375 W HN -0.260 nan 8.180 nan 0.000 0.610 376 D N 0.101 120.897 120.400 0.661 0.000 2.634 376 D HA 0.424 5.079 4.640 0.024 0.000 0.236 376 D C -0.146 176.526 176.300 0.620 0.000 1.323 376 D CA 1.002 55.289 54.000 0.478 0.000 0.884 376 D CB 0.093 41.084 40.800 0.317 0.000 1.496 376 D HN 0.627 nan 8.370 nan 0.000 0.525 377 G N 2.252 111.335 108.800 0.473 0.000 2.428 377 G HA2 -0.086 3.889 3.960 0.024 0.000 0.202 377 G HA3 -0.086 3.889 3.960 0.024 0.000 0.202 377 G C -0.660 174.438 174.900 0.330 0.000 1.247 377 G CA -0.714 44.659 45.100 0.455 0.000 1.020 377 G HN 0.271 nan 8.290 nan 0.000 0.529 378 K N 1.150 121.710 120.400 0.266 0.000 3.237 378 K HA 0.197 4.531 4.320 0.024 0.000 0.197 378 K C 1.424 178.042 176.600 0.029 0.000 1.133 378 K CA -0.138 56.229 56.287 0.133 0.000 0.944 378 K CB 0.950 33.561 32.500 0.186 0.000 0.952 378 K HN 0.545 nan 8.250 nan 0.000 0.515 379 Q N -0.007 119.633 119.800 -0.267 0.000 2.435 379 Q HA -0.044 4.310 4.340 0.024 0.000 0.207 379 Q C -0.453 175.283 176.000 -0.439 0.000 0.956 379 Q CA 0.977 56.434 55.803 -0.575 0.000 0.917 379 Q CB 0.018 27.797 28.738 -1.599 0.000 0.997 379 Q HN 0.255 nan 8.270 nan 0.000 0.497 380 D N 0.314 120.534 120.400 -0.301 0.000 2.362 380 D HA 0.362 5.017 4.640 0.024 0.000 0.247 380 D C 0.635 176.855 176.300 -0.133 0.000 1.050 380 D CA -0.619 53.256 54.000 -0.208 0.000 0.839 380 D CB 1.083 41.811 40.800 -0.121 0.000 1.283 380 D HN 0.170 nan 8.370 nan 0.000 0.477 381 I N 1.101 121.607 120.570 -0.107 0.000 4.327 381 I HA 0.215 4.399 4.170 0.024 0.000 0.331 381 I C 1.325 177.345 176.117 -0.162 0.000 1.348 381 I CA -0.535 60.678 61.300 -0.145 0.000 1.152 381 I CB -0.128 37.819 38.000 -0.089 0.000 1.151 381 I HN 0.419 nan 8.210 nan 0.000 0.410 382 Y N 2.592 122.748 120.300 -0.240 0.000 2.114 382 Y HA -0.299 4.266 4.550 0.025 0.000 0.282 382 Y C 2.540 178.202 175.900 -0.396 0.000 1.165 382 Y CA 2.050 59.995 58.100 -0.259 0.000 1.148 382 Y CB -0.661 37.645 38.460 -0.256 0.000 0.972 382 Y HN 0.183 nan 8.280 nan 0.000 0.504 383 H N 0.400 119.039 119.070 -0.719 0.000 2.421 383 H HA -0.118 4.452 4.556 0.024 0.000 0.298 383 H C 2.308 177.217 175.328 -0.699 0.000 1.087 383 H CA 1.812 57.348 56.048 -0.853 0.000 1.330 383 H CB -0.213 29.387 29.762 -0.270 0.000 1.388 383 H HN 0.436 nan 8.280 nan 0.000 0.526 384 L N 0.660 121.617 121.223 -0.443 0.000 2.265 384 L HA -0.167 4.187 4.340 0.024 0.000 0.215 384 L C 2.336 179.009 176.870 -0.327 0.000 1.117 384 L CA 0.464 55.027 54.840 -0.462 0.000 0.782 384 L CB -0.281 41.422 42.059 -0.594 0.000 0.914 384 L HN 0.220 nan 8.230 nan 0.000 0.441 385 L N -1.284 119.710 121.223 -0.381 0.000 2.362 385 L HA -0.194 4.160 4.340 0.024 0.000 0.219 385 L C 2.074 178.929 176.870 -0.025 0.000 1.134 385 L CA 0.985 55.704 54.840 -0.202 0.000 0.807 385 L CB -0.787 41.179 42.059 -0.155 0.000 0.927 385 L HN 0.431 nan 8.230 nan 0.000 0.447 386 H N -1.050 117.988 119.070 -0.053 0.000 2.529 386 H HA -0.073 4.497 4.556 0.023 0.000 0.277 386 H C 2.210 177.614 175.328 0.127 0.000 0.999 386 H CA 0.962 57.033 56.048 0.038 0.000 1.256 386 H CB 0.222 30.001 29.762 0.029 0.000 1.402 386 H HN 0.570 nan 8.280 nan 0.000 0.566 387 C N -1.127 118.303 119.300 0.217 0.000 3.065 387 C HA 0.349 4.823 4.460 0.024 0.000 0.285 387 C C 1.757 177.047 174.990 0.499 0.000 1.257 387 C CA -0.558 58.666 59.018 0.342 0.000 1.691 387 C CB -0.676 27.153 27.740 0.148 0.000 2.089 387 C HN 0.389 nan 8.230 nan 0.000 0.630 388 L N 0.508 121.908 121.223 0.295 0.000 2.388 388 L HA 0.209 4.563 4.340 0.024 0.000 0.209 388 L C 2.385 179.336 176.870 0.135 0.000 1.061 388 L CA 0.655 55.650 54.840 0.259 0.000 0.834 388 L CB 0.063 42.172 42.059 0.083 0.000 1.029 388 L HN 0.200 nan 8.230 nan 0.000 0.473 389 V N -1.013 118.954 119.914 0.089 0.000 3.013 389 V HA 0.032 4.166 4.120 0.024 0.000 0.238 389 V C 2.126 178.249 176.094 0.048 0.000 1.161 389 V CA 0.259 62.593 62.300 0.056 0.000 1.170 389 V CB 0.524 32.375 31.823 0.047 0.000 0.917 389 V HN 0.155 nan 8.190 nan 0.000 0.478 390 I N 1.193 121.811 120.570 0.081 0.000 2.145 390 I HA -0.202 3.982 4.170 0.024 0.000 0.244 390 I C -0.484 175.454 176.117 -0.299 0.000 1.075 390 I CA 2.054 63.382 61.300 0.046 0.000 1.332 390 I CB -1.249 36.859 38.000 0.180 0.000 1.033 390 I HN 0.353 nan 8.210 nan 0.000 0.410 391 P HA -0.106 nan 4.420 nan 0.000 0.231 391 P C 0.854 177.824 177.300 -0.550 0.000 1.158 391 P CA 1.199 63.633 63.100 -1.110 0.000 0.763 391 P CB -0.093 31.496 31.700 -0.185 0.000 0.805 392 R N -1.531 118.856 120.500 -0.188 0.000 2.362 392 R HA 0.294 4.649 4.340 0.024 0.000 0.227 392 R C 0.338 176.664 176.300 0.043 0.000 0.905 392 R CA 0.028 56.122 56.100 -0.009 0.000 1.067 392 R CB 0.167 30.486 30.300 0.033 0.000 1.078 392 R HN 0.231 nan 8.270 nan 0.000 0.516 393 L N 0.451 121.702 121.223 0.047 0.000 2.333 393 L HA 0.524 4.879 4.340 0.024 0.000 0.263 393 L C -2.416 174.585 176.870 0.219 0.000 1.014 393 L CA -2.688 52.228 54.840 0.125 0.000 0.820 393 L CB 2.019 44.146 42.059 0.114 0.000 1.352 393 L HN -0.239 nan 8.230 nan 0.000 0.421 394 P HA 0.114 nan 4.420 nan 0.000 0.271 394 P C 0.479 177.895 177.300 0.192 0.000 1.244 394 P CA -0.253 62.940 63.100 0.154 0.000 0.793 394 P CB 0.606 32.366 31.700 0.099 0.000 0.984 395 L N -0.931 120.380 121.223 0.146 0.000 2.418 395 L HA 0.203 4.557 4.340 0.024 0.000 0.218 395 L C 0.975 178.004 176.870 0.265 0.000 1.125 395 L CA 0.508 55.476 54.840 0.214 0.000 0.835 395 L CB -0.336 41.726 42.059 0.004 0.000 0.953 395 L HN 0.333 nan 8.230 nan 0.000 0.454 396 A N 0.103 123.014 122.820 0.152 0.000 2.422 396 A HA 0.713 5.048 4.320 0.024 0.000 0.302 396 A C -2.427 175.219 177.584 0.102 0.000 1.041 396 A CA -1.169 50.948 52.037 0.133 0.000 0.708 396 A CB 1.036 20.099 19.000 0.105 0.000 1.257 396 A HN -0.183 nan 8.150 nan 0.000 0.414 397 P HA 0.371 nan 4.420 nan 0.000 0.286 397 P C 0.715 178.066 177.300 0.086 0.000 1.293 397 P CA 0.050 63.216 63.100 0.111 0.000 0.770 397 P CB 0.336 32.086 31.700 0.084 0.000 1.206 398 G N -0.842 107.985 108.800 0.045 0.000 2.631 398 G HA2 0.118 4.092 3.960 0.024 0.000 0.271 398 G HA3 0.118 4.092 3.960 0.024 0.000 0.271 398 G C 0.873 175.769 174.900 -0.007 0.000 1.302 398 G CA -0.388 44.681 45.100 -0.052 0.000 1.002 398 G HN 0.536 nan 8.290 nan 0.000 0.519 399 L N 0.770 121.980 121.223 -0.022 0.000 1.951 399 L HA -0.167 4.188 4.340 0.024 0.000 0.222 399 L C 3.005 179.913 176.870 0.065 0.000 1.078 399 L CA 3.309 58.185 54.840 0.060 0.000 0.778 399 L CB -1.040 41.101 42.059 0.136 0.000 0.893 399 L HN 0.575 nan 8.230 nan 0.000 0.436 400 A N -0.593 122.274 122.820 0.078 0.000 1.873 400 A HA -0.060 4.275 4.320 0.024 0.000 0.215 400 A C 0.204 177.804 177.584 0.027 0.000 1.186 400 A CA 1.725 53.783 52.037 0.036 0.000 0.616 400 A CB -2.096 16.927 19.000 0.039 0.000 0.823 400 A HN 0.501 nan 8.150 nan 0.000 0.442 401 P HA -0.168 nan 4.420 nan 0.000 0.216 401 P C 1.749 179.066 177.300 0.028 0.000 1.153 401 P CA 2.108 65.217 63.100 0.016 0.000 0.858 401 P CB -0.129 31.576 31.700 0.007 0.000 0.789 402 A N -0.763 122.081 122.820 0.041 0.000 1.902 402 A HA -0.152 4.183 4.320 0.024 0.000 0.217 402 A C 2.333 179.946 177.584 0.048 0.000 1.181 402 A CA 1.811 53.879 52.037 0.052 0.000 0.623 402 A CB -1.692 17.349 19.000 0.069 0.000 0.818 402 A HN 0.033 nan 8.150 nan 0.000 0.443 403 V N -0.119 119.822 119.914 0.045 0.000 2.295 403 V HA -0.236 3.899 4.120 0.024 0.000 0.246 403 V C 3.042 179.157 176.094 0.034 0.000 1.049 403 V CA 1.886 64.212 62.300 0.042 0.000 1.024 403 V CB -1.262 30.585 31.823 0.040 0.000 0.648 403 V HN 0.602 nan 8.190 nan 0.000 0.447 404 A N 0.019 122.856 122.820 0.028 0.000 1.972 404 A HA -0.080 4.254 4.320 0.024 0.000 0.219 404 A C 2.271 179.869 177.584 0.024 0.000 1.169 404 A CA 1.873 53.924 52.037 0.024 0.000 0.635 404 A CB -0.603 18.410 19.000 0.021 0.000 0.810 404 A HN 0.600 nan 8.150 nan 0.000 0.446 405 A N -1.813 121.024 122.820 0.028 0.000 2.206 405 A HA 0.390 4.724 4.320 0.024 0.000 0.211 405 A C 1.786 179.389 177.584 0.032 0.000 1.158 405 A CA 1.253 53.308 52.037 0.029 0.000 0.761 405 A CB -0.898 18.122 19.000 0.034 0.000 0.801 405 A HN 1.915 nan 8.150 nan 0.000 0.473 406 G N -1.211 107.609 108.800 0.034 0.000 2.132 406 G HA2 -0.214 3.760 3.960 0.024 0.000 0.228 406 G HA3 -0.214 3.760 3.960 0.024 0.000 0.228 406 G C 0.525 175.451 174.900 0.042 0.000 1.000 406 G CA 0.331 45.452 45.100 0.035 0.000 0.693 406 G HN 0.467 nan 8.290 nan 0.000 0.515 407 L N -0.101 121.151 121.223 0.048 0.000 2.591 407 L HA 0.313 4.667 4.340 0.024 0.000 0.228 407 L C 1.652 178.560 176.870 0.063 0.000 1.133 407 L CA -0.173 54.701 54.840 0.057 0.000 0.880 407 L CB -0.047 42.049 42.059 0.062 0.000 1.033 407 L HN 0.257 nan 8.230 nan 0.000 0.450 408 L N 1.415 122.673 121.223 0.058 0.000 2.540 408 L HA -0.095 4.260 4.340 0.024 0.000 0.276 408 L C 0.555 177.462 176.870 0.062 0.000 1.212 408 L CA 0.359 55.234 54.840 0.059 0.000 0.893 408 L CB 0.095 42.186 42.059 0.053 0.000 1.138 408 L HN 0.309 nan 8.230 nan 0.000 0.491 409 D N 1.594 122.037 120.400 0.072 0.000 3.079 409 D HA -0.264 4.390 4.640 0.024 0.000 0.214 409 D C 1.124 177.474 176.300 0.085 0.000 1.145 409 D CA 1.013 55.063 54.000 0.082 0.000 0.958 409 D CB -0.846 39.997 40.800 0.071 0.000 1.117 409 D HN 0.527 nan 8.370 nan 0.000 0.416 410 I N 1.033 121.652 120.570 0.081 0.000 2.315 410 I HA -0.229 3.956 4.170 0.024 0.000 0.251 410 I C 1.513 177.680 176.117 0.084 0.000 1.125 410 I CA 1.748 63.093 61.300 0.075 0.000 1.392 410 I CB -0.004 38.038 38.000 0.070 0.000 1.065 410 I HN 0.046 nan 8.210 nan 0.000 0.424 411 N N 0.499 119.262 118.700 0.105 0.000 2.336 411 N HA 0.241 4.995 4.740 0.024 0.000 0.189 411 N C 0.428 176.017 175.510 0.131 0.000 1.113 411 N CA 0.641 53.760 53.050 0.115 0.000 0.858 411 N CB 0.027 38.595 38.487 0.135 0.000 0.970 411 N HN 0.389 nan 8.380 nan 0.000 0.471 419 H N 0.192 119.302 119.070 0.067 0.000 2.548 419 H HA 0.258 4.827 4.556 0.021 0.000 0.265 419 H C 0.436 175.803 175.328 0.065 0.000 0.969 419 H CA 0.590 56.686 56.048 0.080 0.000 1.155 419 H CB 0.076 29.914 29.762 0.127 0.000 1.394 419 H HN 0.626 nan 8.280 nan 0.000 0.570 420 H N -2.460 116.411 119.070 -0.333 0.000 2.990 420 H HA 0.420 4.992 4.556 0.027 0.000 0.343 420 H C -0.951 174.220 175.328 -0.262 0.000 1.270 420 H CA -1.180 54.702 56.048 -0.277 0.000 1.118 420 H CB 0.874 30.433 29.762 -0.338 0.000 1.861 420 H HN 0.088 nan 8.280 nan 0.000 0.544 421 H N 0.000 119.153 119.070 0.138 0.000 2.539 421 H HA 0.000 4.571 4.556 0.026 0.000 0.296 421 H CA 0.000 56.103 56.048 0.091 0.000 1.023 421 H CB 0.000 29.797 29.762 0.059 0.000 1.292 421 H HN 0.000 nan 8.280 nan 0.000 0.496