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 1be3_1_C DATA FIRST_RESID 1 DATA SEQUENCE MTNIRKSHPL MKIVNNAFID LPAPSNISSW WNFGSLLGIC LILQILTGLF DATA SEQUENCE LAMHYTSDTT TAFSSVTHIC RDVNYGWIIR YMHANGASMF FICLYMHVGR DATA SEQUENCE GLYYGSYTFL ETWNIGVILL LTVMATAFMG YVLPWGQMSF WGATVITNLL DATA SEQUENCE SAIPYIGTNL VEWIWGGFSV DKATLTRFFA FHFILPFIIM AIAMVHLLFL DATA SEQUENCE HETGSNNPTG ISSDVDKIPF HPYYTIKDIL GALLLILALM LLVLFAPDLL DATA SEQUENCE GDPDNYTPAN PLNTPPHIKP EWYFLFAYAI LRSIPNKLGG VLALAFSILI DATA SEQUENCE LALIPLLHTS KQRSMMFRPL SQCLFWALVA DLLTLTWIGG QPVEHPYITI DATA SEQUENCE GQLASVLYFL LILVLMPTAG TIENKLLKW 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 0.000 176.257 176.300 -0.071 0.000 1.140 1 M CA 0.000 55.250 55.300 -0.083 0.000 0.988 1 M CB 0.000 32.504 32.600 -0.160 0.000 1.302 2 T N 2.870 117.430 114.554 0.009 0.000 2.952 2 T HA 0.458 4.808 4.350 0.000 0.000 0.305 2 T C -0.220 174.676 174.700 0.327 0.000 1.064 2 T CA -0.628 61.576 62.100 0.174 0.000 1.008 2 T CB 1.425 70.367 68.868 0.123 0.000 1.078 2 T HN 0.860 nan 8.240 nan 0.000 0.459 3 N N 0.762 119.980 118.700 0.863 0.000 2.693 3 N HA -0.142 4.598 4.740 0.000 0.000 0.249 3 N C -0.330 175.346 175.510 0.276 0.000 1.119 3 N CA 0.471 53.682 53.050 0.270 0.000 0.717 3 N CB -0.851 37.665 38.487 0.048 0.000 1.071 3 N HN 0.628 nan 8.380 nan 0.000 0.555 4 I N 2.043 122.801 120.570 0.313 0.000 2.260 4 I HA 0.025 4.195 4.170 0.000 0.000 0.297 4 I C 1.937 178.183 176.117 0.216 0.000 1.143 4 I CA -0.019 61.373 61.300 0.152 0.000 1.271 4 I CB 0.249 38.266 38.000 0.028 0.000 1.461 4 I HN 0.039 nan 8.210 nan 0.000 0.530 5 R N 4.624 125.226 120.500 0.170 0.000 2.189 5 R HA -0.293 4.047 4.340 0.000 0.000 0.252 5 R C 1.657 178.023 176.300 0.109 0.000 1.134 5 R CA 1.813 57.986 56.100 0.122 0.000 0.954 5 R CB -0.638 29.691 30.300 0.048 0.000 0.890 5 R HN 0.487 nan 8.270 nan 0.000 0.443 6 K N 0.488 120.926 120.400 0.064 0.000 2.002 6 K HA -0.051 4.269 4.320 0.000 0.000 0.209 6 K C 2.413 179.033 176.600 0.033 0.000 1.048 6 K CA 1.812 58.124 56.287 0.042 0.000 0.930 6 K CB -0.172 32.343 32.500 0.025 0.000 0.714 6 K HN 0.039 nan 8.250 nan 0.000 0.438 7 S N -0.079 115.624 115.700 0.005 0.000 2.395 7 S HA -0.047 4.423 4.470 0.000 0.000 0.225 7 S C 1.405 175.973 174.600 -0.053 0.000 1.027 7 S CA 0.265 58.442 58.200 -0.039 0.000 0.965 7 S CB -0.283 62.869 63.200 -0.081 0.000 0.812 7 S HN 0.271 nan 8.310 nan 0.000 0.482 8 H N 1.733 120.802 119.070 -0.002 0.000 3.110 8 H HA -0.088 4.468 4.556 0.000 0.000 0.273 8 H C -1.618 173.710 175.328 -0.000 0.000 1.012 8 H CA 1.198 57.245 56.048 -0.002 0.000 1.186 8 H CB -2.157 27.604 29.762 -0.002 0.000 1.768 8 H HN 0.216 nan 8.280 nan 0.000 0.978 9 P HA -0.103 nan 4.420 nan 0.000 0.263 9 P C 0.885 178.214 177.300 0.048 0.000 1.175 9 P CA 0.429 63.574 63.100 0.075 0.000 0.761 9 P CB 0.363 32.096 31.700 0.055 0.000 0.794 10 L N 3.420 124.661 121.223 0.031 0.000 2.109 10 L HA -0.076 4.264 4.340 0.000 0.000 0.207 10 L C 2.139 179.021 176.870 0.021 0.000 1.086 10 L CA 1.723 56.574 54.840 0.017 0.000 0.760 10 L CB -0.804 41.261 42.059 0.010 0.000 0.910 10 L HN 0.403 nan 8.230 nan 0.000 0.437 11 M N -1.030 118.585 119.600 0.024 0.000 2.117 11 M HA -0.266 4.214 4.480 0.000 0.000 0.262 11 M C 2.226 178.547 176.300 0.035 0.000 1.065 11 M CA 1.649 56.965 55.300 0.027 0.000 1.114 11 M CB -0.306 32.308 32.600 0.023 0.000 1.361 11 M HN 0.202 nan 8.290 nan 0.000 0.408 12 K N 0.159 120.581 120.400 0.036 0.000 2.211 12 K HA -0.061 4.259 4.320 0.000 0.000 0.203 12 K C 1.681 178.307 176.600 0.044 0.000 1.050 12 K CA 0.866 57.178 56.287 0.042 0.000 0.945 12 K CB -0.110 32.415 32.500 0.042 0.000 0.732 12 K HN 0.370 nan 8.250 nan 0.000 0.451 13 I N 0.185 120.775 120.570 0.033 0.000 2.286 13 I HA -0.251 3.919 4.170 0.000 0.000 0.248 13 I C 1.961 178.096 176.117 0.031 0.000 1.115 13 I CA 0.919 62.233 61.300 0.023 0.000 1.392 13 I CB -0.429 37.574 38.000 0.006 0.000 1.065 13 I HN -0.096 nan 8.210 nan 0.000 0.418 14 V N 1.184 121.121 119.914 0.038 0.000 2.720 14 V HA -0.262 3.858 4.120 0.000 0.000 0.256 14 V C 2.115 178.269 176.094 0.101 0.000 1.082 14 V CA 1.888 64.219 62.300 0.050 0.000 1.101 14 V CB -1.002 30.850 31.823 0.049 0.000 0.693 14 V HN 0.545 nan 8.190 nan 0.000 0.479 15 N N 0.133 118.907 118.700 0.122 0.000 2.463 15 N HA -0.079 4.661 4.740 0.000 0.000 0.181 15 N C 1.335 176.983 175.510 0.230 0.000 1.078 15 N CA 0.288 53.463 53.050 0.209 0.000 0.902 15 N CB 0.045 38.609 38.487 0.129 0.000 0.970 15 N HN 0.437 nan 8.380 nan 0.000 0.451 16 N N 0.754 119.522 118.700 0.113 0.000 2.609 16 N HA -0.002 4.738 4.740 0.000 0.000 0.190 16 N C 1.360 176.872 175.510 0.003 0.000 1.157 16 N CA 0.291 53.386 53.050 0.076 0.000 0.918 16 N CB -0.058 38.447 38.487 0.029 0.000 0.978 16 N HN 0.234 nan 8.380 nan 0.000 0.448 17 A N -0.548 122.234 122.820 -0.064 0.000 2.076 17 A HA -0.114 4.206 4.320 0.000 0.000 0.220 17 A C 1.032 178.224 177.584 -0.652 0.000 1.160 17 A CA 1.108 52.915 52.037 -0.383 0.000 0.653 17 A CB -0.531 18.254 19.000 -0.358 0.000 0.801 17 A HN 0.310 nan 8.150 nan 0.000 0.455 18 F N -1.940 117.943 119.950 -0.111 0.000 2.678 18 F HA 0.385 4.912 4.527 0.000 0.000 0.305 18 F C 1.355 177.281 175.800 0.210 0.000 1.090 18 F CA -0.085 57.867 58.000 -0.081 0.000 1.272 18 F CB 0.134 39.163 39.000 0.048 0.000 1.060 18 F HN 0.089 nan 8.300 nan 0.000 0.576 19 I N -0.907 119.834 120.570 0.285 0.000 3.674 19 I HA 0.050 4.220 4.170 0.000 0.000 0.248 19 I C 0.967 177.237 176.117 0.255 0.000 1.134 19 I CA 0.222 61.725 61.300 0.338 0.000 1.519 19 I CB 0.124 38.247 38.000 0.205 0.000 1.598 19 I HN -0.287 nan 8.210 nan 0.000 0.442 20 D N 1.707 122.182 120.400 0.124 0.000 2.319 20 D HA 0.162 4.802 4.640 0.000 0.000 0.230 20 D C 0.190 176.509 176.300 0.032 0.000 1.094 20 D CA 0.168 54.215 54.000 0.079 0.000 0.856 20 D CB 0.186 41.008 40.800 0.037 0.000 0.915 20 D HN -0.012 nan 8.370 nan 0.000 0.517 21 L N 2.123 123.341 121.223 -0.008 0.000 2.360 21 L HA 0.248 4.588 4.340 0.000 0.000 0.276 21 L C -2.311 174.559 176.870 -0.000 0.000 1.121 21 L CA -1.507 53.264 54.840 -0.115 0.000 0.845 21 L CB 0.527 42.378 42.059 -0.348 0.000 1.143 21 L HN -0.255 nan 8.230 nan 0.000 0.452 22 P HA 0.209 nan 4.420 nan 0.000 0.266 22 P C -1.410 175.894 177.300 0.007 0.000 1.215 22 P CA -0.016 63.093 63.100 0.014 0.000 0.763 22 P CB 0.750 32.444 31.700 -0.009 0.000 0.806 23 A N 5.797 128.657 122.820 0.067 0.000 2.330 23 A HA 0.654 4.974 4.320 0.000 0.000 0.313 23 A C -2.650 174.926 177.584 -0.013 0.000 1.124 23 A CA -2.168 49.864 52.037 -0.008 0.000 0.774 23 A CB 0.674 19.672 19.000 -0.003 0.000 1.198 23 A HN 0.278 nan 8.150 nan 0.000 0.465 24 P HA 0.008 nan 4.420 nan 0.000 0.264 24 P C 0.818 178.115 177.300 -0.005 0.000 1.179 24 P CA 0.418 63.465 63.100 -0.087 0.000 0.763 24 P CB 0.711 32.298 31.700 -0.188 0.000 0.806 25 S N 2.647 118.344 115.700 -0.005 0.000 2.343 25 S HA -0.103 4.367 4.470 0.000 0.000 0.212 25 S C 0.832 175.415 174.600 -0.029 0.000 1.033 25 S CA 0.546 58.739 58.200 -0.013 0.000 1.004 25 S CB -1.177 61.981 63.200 -0.069 0.000 0.977 25 S HN 0.689 nan 8.310 nan 0.000 0.427 26 N N 2.724 121.380 118.700 -0.072 0.000 2.407 26 N HA 0.099 4.839 4.740 0.000 0.000 0.250 26 N C -0.633 174.766 175.510 -0.184 0.000 1.236 26 N CA 0.528 53.524 53.050 -0.090 0.000 0.879 26 N CB 0.659 39.103 38.487 -0.071 0.000 1.088 26 N HN 0.466 nan 8.380 nan 0.000 0.450 27 I N 1.053 121.509 120.570 -0.190 0.000 2.673 27 I HA -0.089 4.081 4.170 0.000 0.000 0.258 27 I C -0.235 175.816 176.117 -0.110 0.000 1.484 27 I CA -0.260 60.794 61.300 -0.409 0.000 1.304 27 I CB 1.147 38.936 38.000 -0.352 0.000 1.676 27 I HN 0.572 nan 8.210 nan 0.000 0.403 28 S N 2.092 117.820 115.700 0.048 0.000 2.586 28 S HA -0.056 4.414 4.470 0.000 0.000 0.256 28 S C 1.418 176.253 174.600 0.391 0.000 1.392 28 S CA 0.799 59.229 58.200 0.384 0.000 0.983 28 S CB 0.770 64.436 63.200 0.778 0.000 0.897 28 S HN 0.835 nan 8.310 nan 0.000 0.566 29 S N -0.575 115.270 115.700 0.243 0.000 2.603 29 S HA -0.008 4.462 4.470 0.000 0.000 0.220 29 S C 0.565 175.251 174.600 0.144 0.000 0.967 29 S CA -0.011 58.244 58.200 0.092 0.000 0.920 29 S CB -0.424 62.710 63.200 -0.109 0.000 0.773 29 S HN 0.722 nan 8.310 nan 0.000 0.529 30 W N 0.780 122.341 121.300 0.435 0.000 3.468 30 W HA 0.391 5.051 4.660 0.000 0.000 0.327 30 W C 0.854 177.620 176.519 0.412 0.000 1.259 30 W CA -0.972 56.696 57.345 0.538 0.000 1.706 30 W CB -0.732 28.968 29.460 0.399 0.000 1.007 30 W HN 0.393 nan 8.180 nan 0.000 0.764 31 W N -0.692 120.809 121.300 0.336 0.000 3.008 31 W HA 0.098 4.758 4.660 0.000 0.000 0.355 31 W C 0.874 177.513 176.519 0.200 0.000 1.095 31 W CA -0.159 57.356 57.345 0.283 0.000 1.738 31 W CB -0.218 29.349 29.460 0.178 0.000 1.091 31 W HN -0.044 nan 8.180 nan 0.000 0.574 32 N N -0.052 118.765 118.700 0.196 0.000 2.422 32 N HA -0.030 4.710 4.740 0.000 0.000 0.181 32 N C 1.282 176.751 175.510 -0.068 0.000 1.080 32 N CA 0.785 53.843 53.050 0.012 0.000 0.893 32 N CB -0.310 38.065 38.487 -0.185 0.000 0.973 32 N HN -0.106 nan 8.380 nan 0.000 0.456 33 F N 0.047 120.055 119.950 0.097 0.000 2.171 33 F HA 0.051 4.578 4.527 0.000 0.000 0.300 33 F C 2.481 178.139 175.800 -0.237 0.000 1.090 33 F CA 0.977 58.962 58.000 -0.025 0.000 1.293 33 F CB -0.911 38.122 39.000 0.054 0.000 1.013 33 F HN 0.051 nan 8.300 nan 0.000 0.486 34 G N -0.092 108.676 108.800 -0.052 0.000 2.476 34 G HA2 -0.280 3.680 3.960 0.000 0.000 0.218 34 G HA3 -0.280 3.680 3.960 0.000 0.000 0.218 34 G C 1.738 176.584 174.900 -0.091 0.000 1.164 34 G CA 1.365 46.304 45.100 -0.268 0.000 0.768 34 G HN 0.420 nan 8.290 nan 0.000 0.560 35 S N 0.539 116.261 115.700 0.037 0.000 2.406 35 S HA 0.095 4.565 4.470 0.000 0.000 0.228 35 S C 2.243 176.847 174.600 0.006 0.000 1.020 35 S CA 0.593 58.838 58.200 0.076 0.000 0.965 35 S CB -0.175 63.113 63.200 0.148 0.000 0.798 35 S HN 0.280 nan 8.310 nan 0.000 0.488 36 L N 1.009 122.210 121.223 -0.037 0.000 2.156 36 L HA 0.048 4.388 4.340 0.000 0.000 0.208 36 L C 2.348 179.141 176.870 -0.127 0.000 1.095 36 L CA 0.760 55.564 54.840 -0.061 0.000 0.770 36 L CB -0.495 41.528 42.059 -0.059 0.000 0.914 36 L HN 0.284 nan 8.230 nan 0.000 0.439 37 L N -0.394 120.705 121.223 -0.206 0.000 2.079 37 L HA -0.170 4.170 4.340 0.000 0.000 0.210 37 L C 2.465 179.152 176.870 -0.304 0.000 1.081 37 L CA 1.635 56.227 54.840 -0.412 0.000 0.752 37 L CB -0.861 40.911 42.059 -0.478 0.000 0.896 37 L HN 0.355 nan 8.230 nan 0.000 0.433 38 G N -0.693 108.032 108.800 -0.125 0.000 2.494 38 G HA2 -0.096 3.864 3.960 0.000 0.000 0.216 38 G HA3 -0.096 3.864 3.960 0.000 0.000 0.216 38 G C 1.579 176.482 174.900 0.006 0.000 1.140 38 G CA 0.049 45.136 45.100 -0.021 0.000 0.801 38 G HN 0.228 nan 8.290 nan 0.000 0.536 39 I N 0.260 120.824 120.570 -0.009 0.000 2.202 39 I HA -0.166 4.004 4.170 0.000 0.000 0.242 39 I C 2.811 178.948 176.117 0.033 0.000 1.091 39 I CA 0.342 61.649 61.300 0.011 0.000 1.368 39 I CB -0.364 37.639 38.000 0.006 0.000 1.058 39 I HN 0.171 nan 8.210 nan 0.000 0.410 40 C N 0.616 119.926 119.300 0.017 0.000 2.328 40 C HA -0.268 4.192 4.460 0.000 0.000 0.276 40 C C 2.822 177.949 174.990 0.228 0.000 1.173 40 C CA 1.507 60.594 59.018 0.115 0.000 1.774 40 C CB -1.133 26.582 27.740 -0.043 0.000 2.009 40 C HN 0.527 nan 8.230 nan 0.000 0.436 41 L N 0.551 121.947 121.223 0.288 0.000 2.127 41 L HA -0.104 4.237 4.340 0.000 0.000 0.211 41 L C 2.034 178.942 176.870 0.063 0.000 1.089 41 L CA 1.925 56.914 54.840 0.248 0.000 0.757 41 L CB -0.569 41.644 42.059 0.257 0.000 0.899 41 L HN 0.295 nan 8.230 nan 0.000 0.434 42 I N -0.917 119.686 120.570 0.055 0.000 2.546 42 I HA -0.148 4.022 4.170 0.000 0.000 0.255 42 I C 2.238 178.365 176.117 0.016 0.000 1.163 42 I CA 0.863 62.177 61.300 0.024 0.000 1.457 42 I CB -1.178 36.838 38.000 0.028 0.000 1.092 42 I HN 0.387 nan 8.210 nan 0.000 0.434 43 L N 0.858 122.105 121.223 0.040 0.000 2.023 43 L HA -0.122 4.218 4.340 0.000 0.000 0.205 43 L C 2.439 179.310 176.870 0.002 0.000 1.073 43 L CA 1.809 56.669 54.840 0.034 0.000 0.745 43 L CB -0.941 41.156 42.059 0.063 0.000 0.900 43 L HN 0.051 nan 8.230 nan 0.000 0.435 44 Q N 0.537 120.348 119.800 0.020 0.000 1.998 44 Q HA -0.251 4.089 4.340 0.000 0.000 0.209 44 Q C 2.345 178.206 176.000 -0.232 0.000 1.002 44 Q CA 2.658 58.423 55.803 -0.063 0.000 0.858 44 Q CB -0.853 27.866 28.738 -0.031 0.000 0.932 44 Q HN 0.642 nan 8.270 nan 0.000 0.416 45 I N 0.046 120.490 120.570 -0.210 0.000 2.074 45 I HA -0.354 3.816 4.170 0.000 0.000 0.238 45 I C 2.260 178.283 176.117 -0.156 0.000 1.037 45 I CA 1.067 62.206 61.300 -0.268 0.000 1.301 45 I CB -0.644 37.239 38.000 -0.195 0.000 1.016 45 I HN 0.194 nan 8.210 nan 0.000 0.400 46 L N 0.585 121.785 121.223 -0.039 0.000 1.952 46 L HA -0.305 4.035 4.340 0.000 0.000 0.236 46 L C 2.570 179.516 176.870 0.127 0.000 1.092 46 L CA 2.560 57.451 54.840 0.085 0.000 0.817 46 L CB -1.227 40.887 42.059 0.091 0.000 0.907 46 L HN 0.234 nan 8.230 nan 0.000 0.438 47 T N -0.535 114.048 114.554 0.048 0.000 2.616 47 T HA -0.352 3.998 4.350 0.000 0.000 0.261 47 T C 1.561 176.216 174.700 -0.075 0.000 1.105 47 T CA 2.147 64.240 62.100 -0.011 0.000 1.159 47 T CB -1.171 67.622 68.868 -0.125 0.000 0.856 47 T HN 0.689 nan 8.240 nan 0.000 0.449 48 G N 1.133 109.711 108.800 -0.371 0.000 2.628 48 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 48 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 48 G C 1.470 176.306 174.900 -0.106 0.000 1.240 48 G CA 1.320 46.188 45.100 -0.388 0.000 0.792 48 G HN 0.482 nan 8.290 nan 0.000 0.593 49 L N -0.086 121.060 121.223 -0.129 0.000 2.034 49 L HA -0.146 4.194 4.340 0.000 0.000 0.217 49 L C 2.733 179.596 176.870 -0.013 0.000 1.077 49 L CA 1.976 56.776 54.840 -0.067 0.000 0.769 49 L CB -0.694 41.289 42.059 -0.126 0.000 0.890 49 L HN 0.263 nan 8.230 nan 0.000 0.435 50 F N -1.024 118.943 119.950 0.028 0.000 2.026 50 F HA -0.280 4.247 4.527 0.000 0.000 0.296 50 F C 2.318 178.208 175.800 0.150 0.000 1.133 50 F CA 1.900 59.950 58.000 0.083 0.000 1.188 50 F CB -0.860 38.187 39.000 0.077 0.000 0.968 50 F HN 0.005 nan 8.300 nan 0.000 0.476 51 L N -0.088 121.322 121.223 0.312 0.000 1.963 51 L HA -0.340 4.000 4.340 0.000 0.000 0.220 51 L C 2.719 179.781 176.870 0.319 0.000 1.076 51 L CA 1.510 56.532 54.840 0.303 0.000 0.772 51 L CB -1.245 40.961 42.059 0.244 0.000 0.892 51 L HN 0.211 nan 8.230 nan 0.000 0.435 52 A N -1.002 121.994 122.820 0.292 0.000 2.104 52 A HA -0.307 4.013 4.320 0.000 0.000 0.223 52 A C 2.232 179.998 177.584 0.303 0.000 1.164 52 A CA 2.155 54.442 52.037 0.417 0.000 0.659 52 A CB -0.694 18.611 19.000 0.508 0.000 0.808 52 A HN 0.520 nan 8.150 nan 0.000 0.465 53 M N -1.429 118.258 119.600 0.144 0.000 2.619 53 M HA -0.008 4.472 4.480 0.000 0.000 0.251 53 M C 0.320 176.430 176.300 -0.316 0.000 1.106 53 M CA 0.861 56.104 55.300 -0.095 0.000 1.086 53 M CB 0.082 32.548 32.600 -0.224 0.000 1.465 53 M HN 0.513 nan 8.290 nan 0.000 0.506 54 H N -2.487 116.713 119.070 0.216 0.000 2.985 54 H HA 0.141 4.697 4.556 0.000 0.000 0.246 54 H C -1.387 174.061 175.328 0.199 0.000 1.181 54 H CA -0.158 56.005 56.048 0.192 0.000 0.972 54 H CB 0.059 29.955 29.762 0.223 0.000 2.016 54 H HN 0.242 nan 8.280 nan 0.000 0.672 55 Y N 1.050 121.432 120.300 0.137 0.000 2.468 55 Y HA 0.516 5.066 4.550 0.000 0.000 0.342 55 Y C -0.708 175.134 175.900 -0.097 0.000 1.021 55 Y CA -0.418 57.714 58.100 0.052 0.000 1.079 55 Y CB 1.985 40.491 38.460 0.077 0.000 1.226 55 Y HN -0.151 nan 8.280 nan 0.000 0.460 56 T N 3.227 117.166 114.554 -1.024 0.000 2.841 56 T HA 0.262 4.612 4.350 0.000 0.000 0.283 56 T C -0.628 173.436 174.700 -1.061 0.000 1.000 56 T CA -0.654 60.968 62.100 -0.797 0.000 0.977 56 T CB 0.898 69.494 68.868 -0.453 0.000 0.979 56 T HN 0.616 nan 8.240 nan 0.000 0.446 57 S N 3.019 118.333 115.700 -0.642 0.000 2.694 57 S HA 0.405 4.875 4.470 0.000 0.000 0.211 57 S C -0.706 173.701 174.600 -0.322 0.000 1.328 57 S CA -0.680 57.260 58.200 -0.432 0.000 1.236 57 S CB -0.263 62.740 63.200 -0.327 0.000 1.121 57 S HN 0.540 nan 8.310 nan 0.000 0.517 58 D N 0.724 120.900 120.400 -0.373 0.000 2.547 58 D HA 0.357 4.997 4.640 0.000 0.000 0.231 58 D C 0.760 176.831 176.300 -0.381 0.000 1.099 58 D CA -0.617 53.195 54.000 -0.313 0.000 0.901 58 D CB 1.676 42.342 40.800 -0.223 0.000 1.478 58 D HN 0.152 nan 8.370 nan 0.000 0.471 59 T N -0.064 114.284 114.554 -0.345 0.000 2.737 59 T HA -0.095 4.255 4.350 0.000 0.000 0.265 59 T C 1.752 176.410 174.700 -0.070 0.000 1.038 59 T CA 1.830 63.735 62.100 -0.326 0.000 1.144 59 T CB -0.207 68.624 68.868 -0.061 0.000 0.866 59 T HN 0.472 nan 8.240 nan 0.000 0.434 60 T N 2.096 116.616 114.554 -0.056 0.000 2.684 60 T HA -0.126 4.224 4.350 0.000 0.000 0.267 60 T C 2.228 176.928 174.700 -0.000 0.000 1.036 60 T CA 1.856 63.949 62.100 -0.012 0.000 1.148 60 T CB -0.821 68.025 68.868 -0.037 0.000 0.863 60 T HN 0.497 nan 8.240 nan 0.000 0.436 61 T N 1.302 115.816 114.554 -0.066 0.000 3.031 61 T HA 0.425 4.775 4.350 0.000 0.000 0.254 61 T C 2.474 177.132 174.700 -0.070 0.000 1.060 61 T CA 0.471 62.527 62.100 -0.073 0.000 1.135 61 T CB -0.543 68.232 68.868 -0.155 0.000 0.896 61 T HN 0.406 nan 8.240 nan 0.000 0.472 62 A N 2.233 124.968 122.820 -0.142 0.000 1.870 62 A HA -0.191 4.129 4.320 0.000 0.000 0.219 62 A C 1.945 179.574 177.584 0.076 0.000 1.224 62 A CA 2.036 53.973 52.037 -0.166 0.000 0.650 62 A CB -1.413 17.500 19.000 -0.145 0.000 0.836 62 A HN 0.421 nan 8.150 nan 0.000 0.454 63 F N 1.024 121.035 119.950 0.102 0.000 2.091 63 F HA -0.221 4.306 4.527 0.000 0.000 0.299 63 F C 2.741 178.602 175.800 0.102 0.000 1.103 63 F CA 2.056 60.137 58.000 0.134 0.000 1.228 63 F CB -0.552 38.538 39.000 0.149 0.000 0.984 63 F HN 0.218 nan 8.300 nan 0.000 0.477 64 S N -0.370 115.543 115.700 0.356 0.000 2.359 64 S HA -0.291 4.179 4.470 0.000 0.000 0.223 64 S C 2.326 176.993 174.600 0.112 0.000 1.039 64 S CA 1.804 60.138 58.200 0.223 0.000 1.042 64 S CB -0.896 62.393 63.200 0.149 0.000 0.915 64 S HN 0.666 nan 8.310 nan 0.000 0.439 65 S N 1.403 117.117 115.700 0.023 0.000 2.365 65 S HA -0.132 4.338 4.470 0.000 0.000 0.225 65 S C 1.917 176.587 174.600 0.116 0.000 1.039 65 S CA 1.709 59.914 58.200 0.008 0.000 1.033 65 S CB -0.844 62.232 63.200 -0.207 0.000 0.887 65 S HN 0.282 nan 8.310 nan 0.000 0.447 66 V N 1.872 121.837 119.914 0.085 0.000 2.282 66 V HA -0.183 3.937 4.120 0.000 0.000 0.249 66 V C 2.907 179.027 176.094 0.043 0.000 1.057 66 V CA 2.437 64.787 62.300 0.083 0.000 1.032 66 V CB -1.719 30.111 31.823 0.013 0.000 0.645 66 V HN 0.620 nan 8.190 nan 0.000 0.447 67 T N -1.533 113.010 114.554 -0.018 0.000 2.867 67 T HA -0.197 4.153 4.350 0.000 0.000 0.268 67 T C 1.864 176.628 174.700 0.107 0.000 1.057 67 T CA 1.473 63.587 62.100 0.024 0.000 1.136 67 T CB -0.400 68.485 68.868 0.029 0.000 0.874 67 T HN 0.616 nan 8.240 nan 0.000 0.466 68 H N 0.249 119.348 119.070 0.049 0.000 2.428 68 H HA 0.098 4.654 4.556 0.000 0.000 0.296 68 H C 2.259 177.620 175.328 0.054 0.000 1.062 68 H CA 0.926 57.004 56.048 0.051 0.000 1.350 68 H CB -0.128 29.660 29.762 0.044 0.000 1.403 68 H HN 0.329 nan 8.280 nan 0.000 0.533 69 I N 0.583 121.234 120.570 0.136 0.000 2.179 69 I HA -0.299 3.871 4.170 0.000 0.000 0.242 69 I C 1.762 177.925 176.117 0.077 0.000 1.088 69 I CA 1.151 62.512 61.300 0.101 0.000 1.357 69 I CB 0.006 38.119 38.000 0.188 0.000 1.051 69 I HN 0.333 nan 8.210 nan 0.000 0.409 70 C N 0.860 120.235 119.300 0.124 0.000 2.396 70 C HA 0.292 4.752 4.460 0.000 0.000 0.334 70 C C 1.742 176.816 174.990 0.141 0.000 1.313 70 C CA -0.437 58.714 59.018 0.222 0.000 1.719 70 C CB -2.030 25.919 27.740 0.349 0.000 1.893 70 C HN 0.443 nan 8.230 nan 0.000 0.589 71 R N 0.117 120.621 120.500 0.007 0.000 3.372 71 R HA 0.098 4.438 4.340 0.000 0.000 0.150 71 R C 0.429 176.655 176.300 -0.124 0.000 0.739 71 R CA 0.067 56.138 56.100 -0.048 0.000 1.041 71 R CB -0.251 30.023 30.300 -0.044 0.000 1.530 71 R HN 0.216 nan 8.270 nan 0.000 0.534 72 D N 0.881 121.103 120.400 -0.297 0.000 2.360 72 D HA 0.128 4.768 4.640 0.000 0.000 0.210 72 D C 0.055 176.202 176.300 -0.255 0.000 1.047 72 D CA 0.351 54.179 54.000 -0.286 0.000 0.854 72 D CB 0.810 41.397 40.800 -0.355 0.000 0.936 72 D HN -0.123 nan 8.370 nan 0.000 0.514 73 V N 2.107 121.856 119.914 -0.274 0.000 2.509 73 V HA 0.139 4.259 4.120 0.000 0.000 0.284 73 V C -0.005 176.015 176.094 -0.123 0.000 1.047 73 V CA -0.890 61.283 62.300 -0.212 0.000 0.952 73 V CB 1.439 33.085 31.823 -0.296 0.000 0.988 73 V HN 0.068 nan 8.190 nan 0.000 0.469 74 N N 5.269 123.907 118.700 -0.103 0.000 2.431 74 N HA 0.159 4.900 4.740 0.000 0.000 0.265 74 N C -0.021 175.413 175.510 -0.126 0.000 1.184 74 N CA 0.061 53.013 53.050 -0.162 0.000 0.943 74 N CB 0.040 38.481 38.487 -0.076 0.000 1.080 74 N HN 0.755 nan 8.380 nan 0.000 0.477 75 Y N -1.317 118.930 120.300 -0.089 0.000 4.916 75 Y HA -0.261 4.289 4.550 0.000 0.000 0.247 75 Y C 1.811 177.457 175.900 -0.424 0.000 0.962 75 Y CA 0.824 58.663 58.100 -0.435 0.000 1.933 75 Y CB -1.920 36.326 38.460 -0.357 0.000 1.451 75 Y HN 0.663 nan 8.280 nan 0.000 0.539 76 G N 0.388 109.126 108.800 -0.103 0.000 2.527 76 G HA2 -0.241 3.720 3.960 0.000 0.000 0.219 76 G HA3 -0.241 3.720 3.960 0.000 0.000 0.219 76 G C 1.238 176.187 174.900 0.082 0.000 1.117 76 G CA 0.933 46.029 45.100 -0.007 0.000 0.759 76 G HN 0.803 nan 8.290 nan 0.000 0.556 77 W N 1.012 122.378 121.300 0.110 0.000 2.480 77 W HA 0.110 4.770 4.660 0.000 0.000 0.299 77 W C 2.011 178.713 176.519 0.305 0.000 1.187 77 W CA 0.770 58.239 57.345 0.205 0.000 1.347 77 W CB -1.024 28.516 29.460 0.133 0.000 1.121 77 W HN 0.267 nan 8.180 nan 0.000 0.533 78 I N 0.701 121.004 120.570 -0.444 0.000 2.163 78 I HA -0.223 3.947 4.170 0.000 0.000 0.240 78 I C 2.652 178.757 176.117 -0.020 0.000 1.081 78 I CA 1.428 62.569 61.300 -0.265 0.000 1.353 78 I CB -1.296 36.357 38.000 -0.579 0.000 1.054 78 I HN -0.188 nan 8.210 nan 0.000 0.407 79 I N 0.924 121.420 120.570 -0.123 0.000 2.113 79 I HA -0.358 3.812 4.170 0.000 0.000 0.242 79 I C 2.977 179.160 176.117 0.111 0.000 1.057 79 I CA 1.764 63.053 61.300 -0.017 0.000 1.314 79 I CB -0.762 37.218 38.000 -0.032 0.000 1.022 79 I HN 0.327 nan 8.210 nan 0.000 0.408 80 R N 0.868 121.455 120.500 0.145 0.000 2.088 80 R HA -0.221 4.119 4.340 0.000 0.000 0.232 80 R C 2.479 178.840 176.300 0.101 0.000 1.136 80 R CA 2.223 58.405 56.100 0.136 0.000 0.926 80 R CB -0.916 29.426 30.300 0.070 0.000 0.837 80 R HN 0.312 nan 8.270 nan 0.000 0.429 81 Y N 0.561 120.971 120.300 0.184 0.000 2.181 81 Y HA -0.258 4.292 4.550 0.000 0.000 0.284 81 Y C 2.706 178.699 175.900 0.155 0.000 1.179 81 Y CA 2.028 60.235 58.100 0.178 0.000 1.179 81 Y CB -0.370 38.217 38.460 0.213 0.000 0.973 81 Y HN 0.146 nan 8.280 nan 0.000 0.519 82 M N -1.397 118.361 119.600 0.262 0.000 2.117 82 M HA -0.277 4.203 4.480 0.000 0.000 0.262 82 M C 2.211 178.644 176.300 0.222 0.000 1.065 82 M CA 1.837 57.249 55.300 0.186 0.000 1.114 82 M CB -0.366 32.294 32.600 0.101 0.000 1.361 82 M HN 0.362 nan 8.290 nan 0.000 0.408 83 H N 0.238 119.365 119.070 0.096 0.000 2.293 83 H HA -0.035 4.521 4.556 0.000 0.000 0.300 83 H C 1.819 177.213 175.328 0.111 0.000 1.082 83 H CA 2.218 58.320 56.048 0.090 0.000 1.308 83 H CB -0.393 29.417 29.762 0.080 0.000 1.375 83 H HN 0.347 nan 8.280 nan 0.000 0.495 84 A N 0.649 123.496 122.820 0.046 0.000 1.828 84 A HA -0.238 4.082 4.320 0.000 0.000 0.215 84 A C 2.330 179.983 177.584 0.115 0.000 1.203 84 A CA 1.953 53.988 52.037 -0.004 0.000 0.614 84 A CB -1.012 17.989 19.000 0.002 0.000 0.844 84 A HN 0.708 nan 8.150 nan 0.000 0.445 85 N N -0.113 118.691 118.700 0.174 0.000 2.205 85 N HA -0.090 4.651 4.740 0.000 0.000 0.186 85 N C 1.737 177.361 175.510 0.190 0.000 1.015 85 N CA 0.927 54.087 53.050 0.184 0.000 0.862 85 N CB -0.358 38.241 38.487 0.187 0.000 0.986 85 N HN 0.535 nan 8.380 nan 0.000 0.429 86 G N 1.065 109.985 108.800 0.200 0.000 2.513 86 G HA2 -0.337 3.623 3.960 0.000 0.000 0.219 86 G HA3 -0.337 3.623 3.960 0.000 0.000 0.219 86 G C 1.559 176.613 174.900 0.256 0.000 1.160 86 G CA 1.067 46.300 45.100 0.221 0.000 0.767 86 G HN 0.431 nan 8.290 nan 0.000 0.571 87 A N 0.369 123.328 122.820 0.233 0.000 2.067 87 A HA 0.120 4.440 4.320 0.000 0.000 0.219 87 A C 2.663 180.485 177.584 0.396 0.000 1.158 87 A CA 2.046 54.231 52.037 0.246 0.000 0.661 87 A CB -0.323 18.752 19.000 0.126 0.000 0.801 87 A HN 0.348 nan 8.150 nan 0.000 0.452 88 S N -0.369 115.586 115.700 0.425 0.000 2.368 88 S HA -0.136 4.334 4.470 0.000 0.000 0.224 88 S C 1.938 176.827 174.600 0.482 0.000 1.029 88 S CA 1.582 60.140 58.200 0.596 0.000 0.988 88 S CB -0.315 63.034 63.200 0.247 0.000 0.838 88 S HN 0.437 nan 8.310 nan 0.000 0.462 89 M N 0.911 120.690 119.600 0.299 0.000 2.086 89 M HA 0.070 4.550 4.480 0.000 0.000 0.261 89 M C 1.850 178.298 176.300 0.247 0.000 1.067 89 M CA 0.990 56.428 55.300 0.229 0.000 1.116 89 M CB -1.520 31.181 32.600 0.168 0.000 1.348 89 M HN 0.316 nan 8.290 nan 0.000 0.407 90 F N -0.220 119.795 119.950 0.109 0.000 2.192 90 F HA -0.258 4.269 4.527 0.000 0.000 0.301 90 F C 1.843 177.542 175.800 -0.168 0.000 1.079 90 F CA 1.537 59.503 58.000 -0.056 0.000 1.303 90 F CB -0.330 38.581 39.000 -0.147 0.000 1.024 90 F HN 0.027 nan 8.300 nan 0.000 0.494 91 F N -0.430 119.718 119.950 0.330 0.000 2.220 91 F HA -0.036 4.491 4.527 0.000 0.000 0.290 91 F C 2.332 178.452 175.800 0.533 0.000 1.080 91 F CA 0.825 58.984 58.000 0.266 0.000 1.318 91 F CB -0.551 38.440 39.000 -0.016 0.000 1.063 91 F HN -0.190 nan 8.300 nan 0.000 0.498 92 I N -0.732 120.332 120.570 0.824 0.000 2.145 92 I HA -0.429 3.741 4.170 0.000 0.000 0.244 92 I C 2.449 178.745 176.117 0.300 0.000 1.075 92 I CA 1.424 63.031 61.300 0.512 0.000 1.332 92 I CB -0.959 37.185 38.000 0.241 0.000 1.033 92 I HN 0.271 nan 8.210 nan 0.000 0.410 93 C N 0.187 119.595 119.300 0.179 0.000 2.432 93 C HA -0.163 4.297 4.460 0.000 0.000 0.277 93 C C 2.743 177.687 174.990 -0.078 0.000 1.249 93 C CA 0.377 59.452 59.018 0.095 0.000 1.725 93 C CB -0.986 26.754 27.740 0.000 0.000 2.028 93 C HN 0.470 nan 8.230 nan 0.000 0.477 94 L N 0.231 121.348 121.223 -0.178 0.000 2.013 94 L HA -0.185 4.155 4.340 0.000 0.000 0.212 94 L C 2.158 178.880 176.870 -0.247 0.000 1.073 94 L CA 2.153 56.807 54.840 -0.310 0.000 0.753 94 L CB -1.406 40.351 42.059 -0.503 0.000 0.890 94 L HN 0.432 nan 8.230 nan 0.000 0.432 95 Y N -1.681 118.629 120.300 0.015 0.000 2.373 95 Y HA -0.164 4.386 4.550 0.000 0.000 0.293 95 Y C 2.409 178.267 175.900 -0.070 0.000 1.129 95 Y CA 0.882 58.985 58.100 0.004 0.000 1.226 95 Y CB -0.534 37.969 38.460 0.072 0.000 1.000 95 Y HN 0.159 nan 8.280 nan 0.000 0.549 96 M N -1.220 118.330 119.600 -0.084 0.000 2.200 96 M HA -0.166 4.314 4.480 0.000 0.000 0.265 96 M C 1.905 178.053 176.300 -0.252 0.000 1.066 96 M CA 1.571 56.642 55.300 -0.382 0.000 1.127 96 M CB -1.326 30.395 32.600 -1.465 0.000 1.379 96 M HN 0.300 nan 8.290 nan 0.000 0.420 97 H N 1.099 120.009 119.070 -0.268 0.000 2.319 97 H HA -0.065 4.491 4.556 0.000 0.000 0.299 97 H C 2.040 177.324 175.328 -0.073 0.000 1.092 97 H CA 1.764 57.746 56.048 -0.110 0.000 1.302 97 H CB -0.199 29.514 29.762 -0.082 0.000 1.373 97 H HN 0.080 nan 8.280 nan 0.000 0.497 98 V N -0.263 119.635 119.914 -0.027 0.000 2.427 98 V HA -0.149 3.971 4.120 0.000 0.000 0.248 98 V C 2.742 178.899 176.094 0.106 0.000 1.051 98 V CA 1.590 63.894 62.300 0.008 0.000 1.048 98 V CB -1.192 30.629 31.823 -0.003 0.000 0.666 98 V HN 0.664 nan 8.190 nan 0.000 0.456 99 G N 0.183 109.017 108.800 0.056 0.000 2.469 99 G HA2 -0.338 3.622 3.960 0.000 0.000 0.220 99 G HA3 -0.338 3.622 3.960 0.000 0.000 0.220 99 G C 1.719 176.594 174.900 -0.041 0.000 1.136 99 G CA 1.115 46.269 45.100 0.090 0.000 0.759 99 G HN 0.485 nan 8.290 nan 0.000 0.562 100 R N 0.478 120.894 120.500 -0.141 0.000 2.115 100 R HA 0.038 4.378 4.340 0.000 0.000 0.226 100 R C 2.670 178.939 176.300 -0.053 0.000 1.100 100 R CA 1.419 57.427 56.100 -0.154 0.000 0.980 100 R CB -0.689 29.444 30.300 -0.279 0.000 0.875 100 R HN 0.285 nan 8.270 nan 0.000 0.445 101 G N 1.501 110.331 108.800 0.049 0.000 2.418 101 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 101 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 101 G C 1.516 176.441 174.900 0.042 0.000 1.158 101 G CA 0.399 45.618 45.100 0.199 0.000 0.771 101 G HN 0.197 nan 8.290 nan 0.000 0.545 102 L N -1.169 120.154 121.223 0.166 0.000 2.046 102 L HA -0.076 4.264 4.340 0.000 0.000 0.208 102 L C 2.595 179.336 176.870 -0.214 0.000 1.077 102 L CA 1.433 56.366 54.840 0.154 0.000 0.747 102 L CB -0.408 41.880 42.059 0.381 0.000 0.896 102 L HN 0.318 nan 8.230 nan 0.000 0.432 103 Y N -0.612 119.276 120.300 -0.687 0.000 2.231 103 Y HA -0.190 4.360 4.550 0.000 0.000 0.294 103 Y C 2.081 177.447 175.900 -0.889 0.000 1.120 103 Y CA 1.344 58.735 58.100 -1.182 0.000 1.141 103 Y CB -0.186 37.334 38.460 -1.568 0.000 1.022 103 Y HN 0.043 nan 8.280 nan 0.000 0.523 104 Y N -0.142 119.901 120.300 -0.429 0.000 2.466 104 Y HA 0.287 4.837 4.550 0.000 0.000 0.272 104 Y C 1.738 177.360 175.900 -0.464 0.000 1.169 104 Y CA 0.278 58.158 58.100 -0.366 0.000 1.285 104 Y CB -0.053 38.354 38.460 -0.088 0.000 1.078 104 Y HN 0.213 nan 8.280 nan 0.000 0.523 105 G N -0.133 108.332 108.800 -0.559 0.000 2.225 105 G HA2 -0.315 3.645 3.960 0.000 0.000 0.264 105 G HA3 -0.315 3.645 3.960 0.000 0.000 0.264 105 G C 1.042 175.307 174.900 -1.059 0.000 1.060 105 G CA 0.577 44.993 45.100 -1.141 0.000 0.833 105 G HN 0.332 nan 8.290 nan 0.000 0.498 106 S N -0.613 114.683 115.700 -0.673 0.000 2.537 106 S HA -0.048 4.422 4.470 0.000 0.000 0.240 106 S C 1.694 176.012 174.600 -0.470 0.000 0.981 106 S CA 1.440 59.349 58.200 -0.486 0.000 0.948 106 S CB -0.277 62.868 63.200 -0.091 0.000 0.759 106 S HN 0.995 nan 8.310 nan 0.000 0.531 107 Y N -0.291 119.725 120.300 -0.474 0.000 2.471 107 Y HA 0.413 4.963 4.550 0.000 0.000 0.286 107 Y C 1.651 177.272 175.900 -0.465 0.000 1.188 107 Y CA -0.712 56.977 58.100 -0.685 0.000 1.286 107 Y CB -1.652 35.650 38.460 -1.929 0.000 1.072 107 Y HN -0.083 nan 8.280 nan 0.000 0.517 108 T N 0.695 115.028 114.554 -0.368 0.000 2.904 108 T HA -0.057 4.293 4.350 0.000 0.000 0.267 108 T C 0.319 174.995 174.700 -0.040 0.000 1.059 108 T CA 0.702 62.643 62.100 -0.266 0.000 1.137 108 T CB -0.465 68.091 68.868 -0.519 0.000 0.879 108 T HN 0.222 nan 8.240 nan 0.000 0.467 109 F N 2.720 122.668 119.950 -0.002 0.000 2.521 109 F HA 0.155 4.682 4.527 0.000 0.000 0.384 109 F C 1.368 177.221 175.800 0.088 0.000 1.148 109 F CA -1.491 56.540 58.000 0.052 0.000 1.364 109 F CB -2.002 37.048 39.000 0.084 0.000 1.748 109 F HN 0.035 nan 8.300 nan 0.000 0.660 110 L N 0.737 122.082 121.223 0.205 0.000 2.056 110 L HA -0.388 3.952 4.340 0.000 0.000 0.237 110 L C 2.168 179.120 176.870 0.135 0.000 1.106 110 L CA 2.263 57.178 54.840 0.126 0.000 0.829 110 L CB -0.358 41.734 42.059 0.056 0.000 0.924 110 L HN 0.294 nan 8.230 nan 0.000 0.447 111 E N -1.542 118.671 120.200 0.022 0.000 2.058 111 E HA -0.190 4.160 4.350 0.000 0.000 0.194 111 E C 2.093 178.611 176.600 -0.138 0.000 0.997 111 E CA 1.835 58.123 56.400 -0.185 0.000 0.801 111 E CB -0.859 28.535 29.700 -0.509 0.000 0.746 111 E HN 0.511 nan 8.360 nan 0.000 0.450 112 T N 0.388 114.969 114.554 0.044 0.000 2.708 112 T HA -0.174 4.176 4.350 0.000 0.000 0.266 112 T C 1.211 176.103 174.700 0.320 0.000 1.037 112 T CA 1.219 63.422 62.100 0.171 0.000 1.146 112 T CB -0.414 68.559 68.868 0.176 0.000 0.865 112 T HN 0.390 nan 8.240 nan 0.000 0.435 113 W N 2.353 123.738 121.300 0.142 0.000 2.335 113 W HA -0.224 4.436 4.660 0.000 0.000 0.311 113 W C 1.951 178.502 176.519 0.053 0.000 1.213 113 W CA 1.236 58.654 57.345 0.122 0.000 1.274 113 W CB -0.458 29.068 29.460 0.110 0.000 1.148 113 W HN 0.270 nan 8.180 nan 0.000 0.498 114 N N 0.929 119.768 118.700 0.232 0.000 2.036 114 N HA -0.249 4.491 4.740 0.000 0.000 0.195 114 N C 1.651 177.127 175.510 -0.057 0.000 1.037 114 N CA 2.446 55.533 53.050 0.062 0.000 0.855 114 N CB -1.083 37.426 38.487 0.037 0.000 1.033 114 N HN 0.234 nan 8.380 nan 0.000 0.423 115 I N 0.485 121.036 120.570 -0.032 0.000 2.335 115 I HA -0.153 4.017 4.170 0.000 0.000 0.251 115 I C 2.417 178.417 176.117 -0.195 0.000 1.129 115 I CA 1.143 62.413 61.300 -0.051 0.000 1.402 115 I CB -1.509 36.533 38.000 0.070 0.000 1.069 115 I HN 0.109 nan 8.210 nan 0.000 0.424 116 G N 1.575 110.218 108.800 -0.262 0.000 2.446 116 G HA2 -0.175 3.785 3.960 0.000 0.000 0.217 116 G HA3 -0.175 3.785 3.960 0.000 0.000 0.217 116 G C 1.794 176.438 174.900 -0.427 0.000 1.168 116 G CA 1.124 45.939 45.100 -0.475 0.000 0.771 116 G HN 0.283 nan 8.290 nan 0.000 0.551 117 V N 1.592 121.250 119.914 -0.426 0.000 2.295 117 V HA -0.173 3.947 4.120 0.000 0.000 0.246 117 V C 2.807 178.799 176.094 -0.171 0.000 1.049 117 V CA 1.391 63.511 62.300 -0.299 0.000 1.024 117 V CB -0.493 31.195 31.823 -0.225 0.000 0.648 117 V HN 0.346 nan 8.190 nan 0.000 0.447 118 I N -0.543 119.943 120.570 -0.140 0.000 2.151 118 I HA -0.274 3.896 4.170 0.000 0.000 0.243 118 I C 2.518 178.582 176.117 -0.088 0.000 1.080 118 I CA 1.610 62.859 61.300 -0.086 0.000 1.339 118 I CB -0.621 37.343 38.000 -0.059 0.000 1.039 118 I HN 0.315 nan 8.210 nan 0.000 0.409 119 L N 0.563 121.703 121.223 -0.139 0.000 1.956 119 L HA -0.242 4.098 4.340 0.000 0.000 0.216 119 L C 2.506 179.313 176.870 -0.105 0.000 1.073 119 L CA 1.768 56.526 54.840 -0.136 0.000 0.762 119 L CB -1.389 40.525 42.059 -0.243 0.000 0.889 119 L HN 0.192 nan 8.230 nan 0.000 0.433 120 L N -0.945 120.194 121.223 -0.141 0.000 2.043 120 L HA -0.241 4.099 4.340 0.000 0.000 0.212 120 L C 2.348 179.211 176.870 -0.012 0.000 1.075 120 L CA 1.823 56.598 54.840 -0.108 0.000 0.752 120 L CB -0.546 41.426 42.059 -0.145 0.000 0.891 120 L HN 0.272 nan 8.230 nan 0.000 0.432 121 L N -1.415 119.806 121.223 -0.005 0.000 2.156 121 L HA -0.139 4.201 4.340 0.000 0.000 0.208 121 L C 2.246 179.149 176.870 0.055 0.000 1.095 121 L CA 1.450 56.320 54.840 0.050 0.000 0.770 121 L CB -0.794 41.279 42.059 0.023 0.000 0.914 121 L HN 0.260 nan 8.230 nan 0.000 0.439 122 T N -1.059 113.503 114.554 0.014 0.000 2.904 122 T HA -0.102 4.248 4.350 0.000 0.000 0.267 122 T C 1.972 176.677 174.700 0.009 0.000 1.059 122 T CA 0.954 63.063 62.100 0.015 0.000 1.137 122 T CB -0.036 68.828 68.868 -0.006 0.000 0.879 122 T HN 0.049 nan 8.240 nan 0.000 0.467 123 V N 1.192 121.087 119.914 -0.032 0.000 2.379 123 V HA -0.115 4.005 4.120 0.000 0.000 0.245 123 V C 2.457 178.623 176.094 0.121 0.000 1.044 123 V CA 1.422 63.647 62.300 -0.125 0.000 1.036 123 V CB -0.557 31.059 31.823 -0.345 0.000 0.664 123 V HN 0.406 nan 8.190 nan 0.000 0.453 124 M N -0.006 119.778 119.600 0.307 0.000 2.082 124 M HA -0.246 4.234 4.480 0.000 0.000 0.258 124 M C 2.268 178.859 176.300 0.484 0.000 1.069 124 M CA 2.430 58.092 55.300 0.604 0.000 1.102 124 M CB -0.524 32.404 32.600 0.547 0.000 1.336 124 M HN 0.393 nan 8.290 nan 0.000 0.404 125 A N -0.561 122.423 122.820 0.274 0.000 1.883 125 A HA -0.191 4.130 4.320 0.000 0.000 0.217 125 A C 2.130 179.938 177.584 0.373 0.000 1.186 125 A CA 2.365 54.553 52.037 0.253 0.000 0.624 125 A CB -1.317 17.774 19.000 0.151 0.000 0.822 125 A HN 0.559 nan 8.150 nan 0.000 0.444 126 T N 0.388 115.118 114.554 0.293 0.000 2.708 126 T HA 0.013 4.363 4.350 0.000 0.000 0.266 126 T C 2.163 177.129 174.700 0.443 0.000 1.037 126 T CA 1.539 63.821 62.100 0.303 0.000 1.146 126 T CB -0.527 68.372 68.868 0.052 0.000 0.865 126 T HN 0.592 nan 8.240 nan 0.000 0.435 127 A N 0.749 123.842 122.820 0.455 0.000 2.015 127 A HA 0.073 4.393 4.320 0.000 0.000 0.219 127 A C 1.962 179.896 177.584 0.584 0.000 1.163 127 A CA 0.913 53.269 52.037 0.531 0.000 0.646 127 A CB -0.901 18.470 19.000 0.617 0.000 0.806 127 A HN 0.499 nan 8.150 nan 0.000 0.448 128 F N -0.389 119.833 119.950 0.453 0.000 2.293 128 F HA 0.028 4.555 4.527 0.000 0.000 0.297 128 F C 2.067 178.010 175.800 0.239 0.000 1.089 128 F CA 1.532 59.702 58.000 0.283 0.000 1.377 128 F CB -0.095 38.966 39.000 0.102 0.000 1.051 128 F HN 0.138 nan 8.300 nan 0.000 0.511 129 M N -0.644 119.161 119.600 0.342 0.000 2.325 129 M HA 0.081 4.561 4.480 0.000 0.000 0.265 129 M C 2.492 178.781 176.300 -0.018 0.000 1.094 129 M CA 1.261 56.716 55.300 0.258 0.000 1.161 129 M CB -0.923 32.014 32.600 0.562 0.000 1.358 129 M HN 0.230 nan 8.290 nan 0.000 0.446 130 G N -0.420 108.290 108.800 -0.151 0.000 2.446 130 G HA2 -0.290 3.670 3.960 0.000 0.000 0.217 130 G HA3 -0.290 3.670 3.960 0.000 0.000 0.217 130 G C 1.314 176.122 174.900 -0.153 0.000 1.168 130 G CA 0.726 45.438 45.100 -0.646 0.000 0.771 130 G HN 0.345 nan 8.290 nan 0.000 0.551 131 Y N 1.409 121.626 120.300 -0.138 0.000 2.181 131 Y HA -0.190 4.360 4.550 0.000 0.000 0.284 131 Y C 2.916 178.722 175.900 -0.157 0.000 1.179 131 Y CA 1.131 59.158 58.100 -0.122 0.000 1.179 131 Y CB -0.587 37.806 38.460 -0.111 0.000 0.973 131 Y HN 0.064 nan 8.280 nan 0.000 0.519 132 V N 0.060 119.850 119.914 -0.206 0.000 2.407 132 V HA -0.334 3.786 4.120 0.000 0.000 0.248 132 V C 2.605 178.660 176.094 -0.065 0.000 1.055 132 V CA 1.637 63.772 62.300 -0.275 0.000 1.049 132 V CB -0.820 30.689 31.823 -0.523 0.000 0.662 132 V HN 0.418 nan 8.190 nan 0.000 0.455 133 L N 0.165 121.352 121.223 -0.061 0.000 2.058 133 L HA -0.242 4.098 4.340 0.000 0.000 0.226 133 L C 0.174 177.163 176.870 0.198 0.000 1.089 133 L CA 2.361 57.219 54.840 0.029 0.000 0.799 133 L CB -2.287 39.664 42.059 -0.179 0.000 0.900 133 L HN 0.406 nan 8.230 nan 0.000 0.442 134 P HA -0.236 nan 4.420 nan 0.000 0.220 134 P C 0.365 177.869 177.300 0.339 0.000 1.148 134 P CA 1.020 64.224 63.100 0.173 0.000 0.803 134 P CB -0.102 31.590 31.700 -0.012 0.000 0.782 135 W N -0.785 120.505 121.300 -0.016 0.000 3.910 135 W HA -0.131 4.529 4.660 0.000 0.000 0.355 135 W C -0.153 176.425 176.519 0.098 0.000 1.359 135 W CA -0.279 57.085 57.345 0.031 0.000 0.732 135 W CB -1.393 28.121 29.460 0.090 0.000 2.472 135 W HN -0.045 nan 8.180 nan 0.000 1.296 136 G N 0.991 109.819 108.800 0.048 0.000 2.425 136 G HA2 0.267 4.228 3.960 0.000 0.000 0.302 136 G HA3 0.267 4.228 3.960 0.000 0.000 0.302 136 G C 0.362 175.203 174.900 -0.098 0.000 1.159 136 G CA 0.379 45.499 45.100 0.034 0.000 0.865 136 G HN 0.210 nan 8.290 nan 0.000 0.515 137 Q N 0.313 120.093 119.800 -0.033 0.000 2.165 137 Q HA -0.260 4.080 4.340 0.000 0.000 0.215 137 Q C 2.424 178.520 176.000 0.160 0.000 1.010 137 Q CA 2.127 57.976 55.803 0.076 0.000 0.896 137 Q CB -0.282 28.487 28.738 0.051 0.000 0.956 137 Q HN 0.551 nan 8.270 nan 0.000 0.413 138 M N -0.514 119.106 119.600 0.034 0.000 2.067 138 M HA -0.121 4.359 4.480 0.000 0.000 0.260 138 M C 2.253 178.504 176.300 -0.082 0.000 1.069 138 M CA 2.163 57.479 55.300 0.026 0.000 1.117 138 M CB -1.338 31.284 32.600 0.037 0.000 1.334 138 M HN 0.420 nan 8.290 nan 0.000 0.407 139 S N -0.431 115.062 115.700 -0.345 0.000 2.370 139 S HA -0.208 4.262 4.470 0.000 0.000 0.226 139 S C 2.064 176.461 174.600 -0.339 0.000 1.033 139 S CA 1.449 59.365 58.200 -0.473 0.000 1.011 139 S CB -1.253 61.569 63.200 -0.629 0.000 0.852 139 S HN 0.479 nan 8.310 nan 0.000 0.457 140 F N 0.708 120.377 119.950 -0.468 0.000 2.186 140 F HA 0.093 4.620 4.527 0.000 0.000 0.299 140 F C 1.701 177.106 175.800 -0.658 0.000 1.090 140 F CA 1.169 58.739 58.000 -0.717 0.000 1.307 140 F CB -0.391 37.989 39.000 -1.033 0.000 1.019 140 F HN 0.228 nan 8.300 nan 0.000 0.489 141 W N 0.078 121.248 121.300 -0.217 0.000 2.576 141 W HA 0.172 4.832 4.660 0.000 0.000 0.270 141 W C 2.582 178.990 176.519 -0.184 0.000 1.255 141 W CA 1.026 58.258 57.345 -0.187 0.000 1.314 141 W CB -0.956 28.505 29.460 0.001 0.000 1.101 141 W HN 0.057 nan 8.180 nan 0.000 0.595 142 G N 0.034 108.839 108.800 0.007 0.000 2.408 142 G HA2 -0.086 3.874 3.960 0.000 0.000 0.215 142 G HA3 -0.086 3.874 3.960 0.000 0.000 0.215 142 G C 1.659 176.531 174.900 -0.046 0.000 1.156 142 G CA 0.948 46.052 45.100 0.007 0.000 0.793 142 G HN 0.230 nan 8.290 nan 0.000 0.535 143 A N 0.885 123.550 122.820 -0.258 0.000 1.933 143 A HA -0.003 4.317 4.320 0.000 0.000 0.218 143 A C 2.574 180.119 177.584 -0.064 0.000 1.175 143 A CA 2.468 54.359 52.037 -0.243 0.000 0.628 143 A CB -0.867 17.820 19.000 -0.521 0.000 0.814 143 A HN 0.353 nan 8.150 nan 0.000 0.444 144 T N -0.726 113.650 114.554 -0.296 0.000 2.668 144 T HA -0.113 4.238 4.350 0.000 0.000 0.262 144 T C 1.799 176.580 174.700 0.135 0.000 1.045 144 T CA 1.400 63.385 62.100 -0.192 0.000 1.152 144 T CB -0.885 67.681 68.868 -0.503 0.000 0.864 144 T HN 0.085 nan 8.240 nan 0.000 0.419 145 V N 1.866 121.850 119.914 0.118 0.000 2.324 145 V HA -0.162 3.958 4.120 0.000 0.000 0.250 145 V C 2.615 178.821 176.094 0.187 0.000 1.060 145 V CA 1.383 63.791 62.300 0.181 0.000 1.042 145 V CB -0.695 31.250 31.823 0.203 0.000 0.650 145 V HN 0.440 nan 8.190 nan 0.000 0.450 146 I N -0.250 120.447 120.570 0.211 0.000 2.277 146 I HA -0.138 4.032 4.170 0.000 0.000 0.243 146 I C 2.493 178.695 176.117 0.142 0.000 1.094 146 I CA 1.729 63.135 61.300 0.175 0.000 1.393 146 I CB -1.696 36.455 38.000 0.252 0.000 1.078 146 I HN 0.304 nan 8.210 nan 0.000 0.417 147 T N 1.208 115.922 114.554 0.266 0.000 2.962 147 T HA -0.127 4.223 4.350 0.000 0.000 0.270 147 T C 1.711 176.458 174.700 0.079 0.000 1.088 147 T CA 1.167 63.388 62.100 0.203 0.000 1.127 147 T CB -0.287 68.861 68.868 0.467 0.000 0.883 147 T HN 0.209 nan 8.240 nan 0.000 0.493 148 N N 0.744 119.556 118.700 0.186 0.000 2.416 148 N HA 0.042 4.782 4.740 0.000 0.000 0.177 148 N C 1.615 177.151 175.510 0.042 0.000 1.036 148 N CA 0.227 53.346 53.050 0.114 0.000 0.901 148 N CB -0.413 38.230 38.487 0.259 0.000 0.976 148 N HN 0.171 nan 8.380 nan 0.000 0.444 149 L N 0.530 121.783 121.223 0.051 0.000 2.013 149 L HA -0.112 4.228 4.340 0.000 0.000 0.212 149 L C 2.048 178.905 176.870 -0.021 0.000 1.073 149 L CA 1.131 55.979 54.840 0.013 0.000 0.753 149 L CB -0.975 41.088 42.059 0.007 0.000 0.890 149 L HN 0.190 nan 8.230 nan 0.000 0.432 150 L N -0.455 120.744 121.223 -0.040 0.000 2.137 150 L HA -0.246 4.095 4.340 0.000 0.000 0.213 150 L C 2.697 179.528 176.870 -0.066 0.000 1.085 150 L CA 2.057 56.860 54.840 -0.062 0.000 0.760 150 L CB -0.981 41.026 42.059 -0.087 0.000 0.893 150 L HN 0.609 nan 8.230 nan 0.000 0.434 151 S N -1.495 114.161 115.700 -0.074 0.000 2.595 151 S HA -0.034 4.436 4.470 0.000 0.000 0.235 151 S C 2.029 176.606 174.600 -0.038 0.000 0.974 151 S CA 0.552 58.710 58.200 -0.070 0.000 0.942 151 S CB -0.630 62.529 63.200 -0.068 0.000 0.766 151 S HN 0.430 nan 8.310 nan 0.000 0.536 152 A N 1.387 124.190 122.820 -0.029 0.000 2.019 152 A HA 0.181 4.502 4.320 0.000 0.000 0.219 152 A C 0.919 178.493 177.584 -0.016 0.000 1.164 152 A CA 0.484 52.508 52.037 -0.021 0.000 0.644 152 A CB -0.796 18.192 19.000 -0.020 0.000 0.805 152 A HN 0.623 nan 8.150 nan 0.000 0.449 153 I N 1.436 121.997 120.570 -0.017 0.000 2.741 153 I HA -0.005 4.165 4.170 0.000 0.000 0.288 153 I C -0.964 175.160 176.117 0.011 0.000 1.192 153 I CA -1.082 60.220 61.300 0.002 0.000 1.426 153 I CB 0.695 38.695 38.000 -0.001 0.000 1.367 153 I HN 0.154 nan 8.210 nan 0.000 0.563 154 P HA -0.192 nan 4.420 nan 0.000 0.215 154 P C 1.241 178.509 177.300 -0.053 0.000 1.157 154 P CA 1.832 64.940 63.100 0.013 0.000 0.863 154 P CB 0.067 31.828 31.700 0.102 0.000 0.787 155 Y N -0.611 119.670 120.300 -0.030 0.000 2.441 155 Y HA 0.084 4.634 4.550 0.000 0.000 0.288 155 Y C 2.507 178.384 175.900 -0.038 0.000 1.118 155 Y CA 0.557 58.639 58.100 -0.030 0.000 1.215 155 Y CB -0.331 38.110 38.460 -0.031 0.000 1.118 155 Y HN -0.142 nan 8.280 nan 0.000 0.547 156 I N -3.970 116.663 120.570 0.104 0.000 2.681 156 I HA 0.270 4.440 4.170 0.000 0.000 0.247 156 I C 2.388 178.493 176.117 -0.020 0.000 1.091 156 I CA 1.083 62.396 61.300 0.022 0.000 1.442 156 I CB -1.331 36.667 38.000 -0.004 0.000 1.219 156 I HN 0.162 nan 8.210 nan 0.000 0.451 157 G N 2.766 111.552 108.800 -0.024 0.000 3.376 157 G HA2 -0.494 3.466 3.960 0.000 0.000 0.310 157 G HA3 -0.494 3.466 3.960 0.000 0.000 0.310 157 G C 1.550 176.403 174.900 -0.079 0.000 1.137 157 G CA 3.618 48.687 45.100 -0.051 0.000 1.061 157 G HN 0.584 nan 8.290 nan 0.000 1.152 158 T N 0.550 115.064 114.554 -0.066 0.000 2.592 158 T HA -0.294 4.056 4.350 0.000 0.000 0.267 158 T C 2.089 176.746 174.700 -0.071 0.000 1.060 158 T CA 1.755 63.815 62.100 -0.067 0.000 1.167 158 T CB -0.611 68.239 68.868 -0.030 0.000 0.863 158 T HN 0.380 nan 8.240 nan 0.000 0.431 159 N N 1.266 119.940 118.700 -0.044 0.000 2.018 159 N HA -0.077 4.663 4.740 0.000 0.000 0.196 159 N C 1.876 177.355 175.510 -0.052 0.000 1.043 159 N CA 1.308 54.337 53.050 -0.035 0.000 0.856 159 N CB -0.819 37.653 38.487 -0.026 0.000 1.042 159 N HN 0.287 nan 8.380 nan 0.000 0.423 160 L N 1.448 122.631 121.223 -0.067 0.000 1.965 160 L HA -0.247 4.093 4.340 0.000 0.000 0.226 160 L C 2.270 179.091 176.870 -0.082 0.000 1.083 160 L CA 1.665 56.475 54.840 -0.050 0.000 0.790 160 L CB -1.028 40.987 42.059 -0.074 0.000 0.898 160 L HN 0.004 nan 8.230 nan 0.000 0.439 161 V N -0.113 119.659 119.914 -0.237 0.000 2.357 161 V HA -0.413 3.708 4.120 0.000 0.000 0.257 161 V C 2.527 178.192 176.094 -0.716 0.000 1.082 161 V CA 2.405 64.375 62.300 -0.550 0.000 1.078 161 V CB -0.933 30.494 31.823 -0.661 0.000 0.663 161 V HN 0.594 nan 8.190 nan 0.000 0.455 162 E N -1.777 118.189 120.200 -0.388 0.000 2.152 162 E HA -0.236 4.114 4.350 0.000 0.000 0.192 162 E C 1.903 178.460 176.600 -0.072 0.000 0.983 162 E CA 1.412 57.669 56.400 -0.237 0.000 0.818 162 E CB -0.160 29.420 29.700 -0.200 0.000 0.758 162 E HN 0.849 nan 8.360 nan 0.000 0.467 163 W N 1.677 122.861 121.300 -0.193 0.000 2.441 163 W HA -0.040 4.620 4.660 0.000 0.000 0.302 163 W C 1.798 178.261 176.519 -0.093 0.000 1.191 163 W CA 0.906 58.180 57.345 -0.118 0.000 1.327 163 W CB -0.215 29.181 29.460 -0.106 0.000 1.128 163 W HN -0.142 nan 8.180 nan 0.000 0.522 164 I N -0.029 120.507 120.570 -0.056 0.000 2.087 164 I HA -0.393 3.777 4.170 0.000 0.000 0.240 164 I C 2.194 178.240 176.117 -0.119 0.000 1.054 164 I CA 1.905 63.065 61.300 -0.233 0.000 1.311 164 I CB -0.986 36.936 38.000 -0.129 0.000 1.024 164 I HN 0.109 nan 8.210 nan 0.000 0.402 165 W N 0.603 121.845 121.300 -0.096 0.000 2.425 165 W HA 0.028 4.688 4.660 0.000 0.000 0.277 165 W C 1.907 178.369 176.519 -0.095 0.000 1.231 165 W CA 1.334 58.655 57.345 -0.039 0.000 1.248 165 W CB -1.400 28.057 29.460 -0.006 0.000 1.117 165 W HN 0.442 nan 8.180 nan 0.000 0.568 166 G N 0.269 109.099 108.800 0.050 0.000 2.176 166 G HA2 0.058 4.018 3.960 0.000 0.000 0.252 166 G HA3 0.058 4.018 3.960 0.000 0.000 0.252 166 G C 0.438 175.340 174.900 0.004 0.000 1.024 166 G CA 0.511 45.585 45.100 -0.043 0.000 0.755 166 G HN 0.755 nan 8.290 nan 0.000 0.507 167 G N -2.453 106.359 108.800 0.020 0.000 2.325 167 G HA2 0.546 4.506 3.960 0.000 0.000 0.295 167 G HA3 0.546 4.506 3.960 0.000 0.000 0.295 167 G C -0.088 174.773 174.900 -0.064 0.000 1.274 167 G CA 0.048 45.120 45.100 -0.047 0.000 0.857 167 G HN 0.386 nan 8.290 nan 0.000 0.499 168 F N 1.416 121.519 119.950 0.256 0.000 2.749 168 F HA 0.370 4.897 4.527 0.000 0.000 0.300 168 F C 1.643 177.585 175.800 0.236 0.000 1.103 168 F CA 0.677 58.863 58.000 0.310 0.000 1.342 168 F CB 0.693 39.801 39.000 0.181 0.000 1.098 168 F HN 0.554 nan 8.300 nan 0.000 0.586 169 S N -1.712 114.083 115.700 0.158 0.000 2.998 169 S HA 0.564 5.034 4.470 0.000 0.000 0.323 169 S C -0.536 173.768 174.600 -0.494 0.000 1.141 169 S CA -0.696 57.344 58.200 -0.267 0.000 0.873 169 S CB 1.713 64.875 63.200 -0.063 0.000 1.315 169 S HN -0.300 nan 8.310 nan 0.000 0.637 170 V N 2.175 121.800 119.914 -0.481 0.000 2.370 170 V HA 0.362 4.482 4.120 0.000 0.000 0.279 170 V C -0.513 175.689 176.094 0.180 0.000 1.280 170 V CA -0.248 61.879 62.300 -0.288 0.000 1.392 170 V CB -0.787 30.690 31.823 -0.576 0.000 1.464 170 V HN 0.639 nan 8.190 nan 0.000 0.525 171 D N 1.000 121.475 120.400 0.125 0.000 2.507 171 D HA 0.293 4.933 4.640 0.000 0.000 0.280 171 D C 1.392 177.716 176.300 0.040 0.000 1.219 171 D CA -0.542 53.551 54.000 0.155 0.000 1.085 171 D CB 0.811 41.672 40.800 0.102 0.000 1.134 171 D HN 0.090 nan 8.370 nan 0.000 0.583 172 K N 0.436 120.818 120.400 -0.028 0.000 1.987 172 K HA -0.322 3.998 4.320 0.000 0.000 0.232 172 K C 1.839 178.413 176.600 -0.044 0.000 1.034 172 K CA 1.949 58.179 56.287 -0.094 0.000 1.013 172 K CB -1.185 31.278 32.500 -0.060 0.000 0.736 172 K HN 0.433 nan 8.250 nan 0.000 0.446 173 A N 1.305 124.127 122.820 0.003 0.000 1.916 173 A HA -0.325 3.995 4.320 0.000 0.000 0.224 173 A C 2.546 180.174 177.584 0.073 0.000 1.366 173 A CA 3.379 55.431 52.037 0.027 0.000 0.692 173 A CB -1.675 17.342 19.000 0.028 0.000 0.841 173 A HN 0.576 nan 8.150 nan 0.000 0.480 174 T N -0.502 114.129 114.554 0.129 0.000 2.580 174 T HA -0.189 4.161 4.350 0.000 0.000 0.265 174 T C 1.837 176.782 174.700 0.408 0.000 1.063 174 T CA 1.734 64.011 62.100 0.295 0.000 1.170 174 T CB -0.489 68.567 68.868 0.313 0.000 0.863 174 T HN 0.315 nan 8.240 nan 0.000 0.418 175 L N 0.916 122.234 121.223 0.158 0.000 2.013 175 L HA -0.129 4.211 4.340 0.000 0.000 0.212 175 L C 2.650 179.636 176.870 0.193 0.000 1.073 175 L CA 1.995 56.865 54.840 0.051 0.000 0.753 175 L CB -1.532 40.231 42.059 -0.493 0.000 0.890 175 L HN 0.279 nan 8.230 nan 0.000 0.432 176 T N -0.698 113.918 114.554 0.102 0.000 2.759 176 T HA -0.191 4.159 4.350 0.000 0.000 0.269 176 T C 1.999 176.845 174.700 0.244 0.000 1.042 176 T CA 1.460 63.649 62.100 0.148 0.000 1.140 176 T CB -0.055 68.849 68.868 0.061 0.000 0.864 176 T HN 0.363 nan 8.240 nan 0.000 0.455 177 R N -0.099 120.533 120.500 0.221 0.000 2.070 177 R HA -0.034 4.306 4.340 0.000 0.000 0.232 177 R C 2.221 178.762 176.300 0.402 0.000 1.138 177 R CA 1.646 57.905 56.100 0.264 0.000 0.936 177 R CB -0.631 29.734 30.300 0.109 0.000 0.839 177 R HN 0.377 nan 8.270 nan 0.000 0.429 178 F N 0.170 120.341 119.950 0.367 0.000 2.087 178 F HA -0.295 4.233 4.527 0.000 0.000 0.299 178 F C 2.268 178.279 175.800 0.351 0.000 1.100 178 F CA 1.276 59.480 58.000 0.341 0.000 1.226 178 F CB -0.806 38.306 39.000 0.185 0.000 0.983 178 F HN -0.004 nan 8.300 nan 0.000 0.479 179 F N 1.034 121.181 119.950 0.329 0.000 2.087 179 F HA -0.286 4.241 4.527 0.000 0.000 0.299 179 F C 2.320 178.267 175.800 0.245 0.000 1.100 179 F CA 1.334 59.481 58.000 0.245 0.000 1.226 179 F CB -0.991 38.138 39.000 0.215 0.000 0.983 179 F HN -0.064 nan 8.300 nan 0.000 0.479 180 A N -0.704 122.123 122.820 0.012 0.000 1.929 180 A HA -0.100 4.220 4.320 0.000 0.000 0.216 180 A C 2.113 179.558 177.584 -0.232 0.000 1.176 180 A CA 1.394 53.258 52.037 -0.287 0.000 0.628 180 A CB -1.417 17.346 19.000 -0.395 0.000 0.816 180 A HN 0.399 nan 8.150 nan 0.000 0.444 181 F N -1.011 118.967 119.950 0.045 0.000 2.186 181 F HA -0.081 4.446 4.527 0.000 0.000 0.299 181 F C 2.255 178.126 175.800 0.117 0.000 1.090 181 F CA 1.497 59.534 58.000 0.063 0.000 1.307 181 F CB -0.724 38.286 39.000 0.016 0.000 1.019 181 F HN 0.410 nan 8.300 nan 0.000 0.489 182 H N -0.501 118.689 119.070 0.201 0.000 2.319 182 H HA -0.216 4.340 4.556 0.000 0.000 0.299 182 H C 2.101 177.419 175.328 -0.016 0.000 1.092 182 H CA 1.906 58.020 56.048 0.110 0.000 1.302 182 H CB -0.542 29.295 29.762 0.125 0.000 1.373 182 H HN 0.156 nan 8.280 nan 0.000 0.497 183 F N 0.380 120.252 119.950 -0.131 0.000 2.010 183 F HA -0.177 4.350 4.527 0.000 0.000 0.296 183 F C 2.661 178.374 175.800 -0.144 0.000 1.146 183 F CA 1.898 59.758 58.000 -0.234 0.000 1.181 183 F CB -0.890 37.887 39.000 -0.371 0.000 0.965 183 F HN 0.262 nan 8.300 nan 0.000 0.480 184 I N -0.561 120.199 120.570 0.316 0.000 2.493 184 I HA -0.233 3.937 4.170 0.000 0.000 0.254 184 I C 2.169 178.360 176.117 0.123 0.000 1.160 184 I CA 0.553 62.035 61.300 0.304 0.000 1.445 184 I CB -0.223 37.879 38.000 0.169 0.000 1.086 184 I HN 0.239 nan 8.210 nan 0.000 0.433 185 L N 2.286 123.535 121.223 0.043 0.000 1.963 185 L HA -0.158 4.182 4.340 0.000 0.000 0.220 185 L C -0.617 176.196 176.870 -0.094 0.000 1.076 185 L CA 2.576 57.421 54.840 0.009 0.000 0.772 185 L CB -2.221 39.861 42.059 0.038 0.000 0.892 185 L HN 0.123 nan 8.230 nan 0.000 0.435 186 P HA -0.178 nan 4.420 nan 0.000 0.218 186 P C 1.621 178.719 177.300 -0.338 0.000 1.146 186 P CA 1.556 64.422 63.100 -0.389 0.000 0.813 186 P CB -0.206 31.105 31.700 -0.649 0.000 0.778 187 F N -1.228 118.688 119.950 -0.058 0.000 2.206 187 F HA -0.015 4.512 4.527 0.000 0.000 0.298 187 F C 2.312 178.110 175.800 -0.003 0.000 1.090 187 F CA 0.701 58.686 58.000 -0.025 0.000 1.323 187 F CB -1.370 37.630 39.000 0.000 0.000 1.028 187 F HN -0.177 nan 8.300 nan 0.000 0.492 188 I N -0.286 120.374 120.570 0.149 0.000 2.315 188 I HA -0.280 3.890 4.170 0.000 0.000 0.248 188 I C 2.381 178.534 176.117 0.060 0.000 1.117 188 I CA 0.898 62.258 61.300 0.099 0.000 1.404 188 I CB -0.380 37.671 38.000 0.084 0.000 1.071 188 I HN 0.059 nan 8.210 nan 0.000 0.419 189 I N 0.057 120.638 120.570 0.019 0.000 2.163 189 I HA -0.352 3.818 4.170 0.000 0.000 0.243 189 I C 2.619 178.752 176.117 0.027 0.000 1.085 189 I CA 1.756 63.055 61.300 -0.002 0.000 1.347 189 I CB -0.502 37.465 38.000 -0.056 0.000 1.044 189 I HN 0.338 nan 8.210 nan 0.000 0.408 190 M N 0.278 119.904 119.600 0.043 0.000 2.149 190 M HA -0.212 4.268 4.480 0.000 0.000 0.261 190 M C 2.443 178.791 176.300 0.081 0.000 1.064 190 M CA 1.939 57.282 55.300 0.071 0.000 1.102 190 M CB -0.230 32.431 32.600 0.102 0.000 1.369 190 M HN 0.294 nan 8.290 nan 0.000 0.408 191 A N 0.971 123.840 122.820 0.083 0.000 1.858 191 A HA -0.178 4.142 4.320 0.000 0.000 0.216 191 A C 1.799 179.429 177.584 0.076 0.000 1.190 191 A CA 1.445 53.528 52.037 0.076 0.000 0.617 191 A CB -0.732 18.311 19.000 0.072 0.000 0.827 191 A HN 0.466 nan 8.150 nan 0.000 0.443 192 I N 0.311 120.921 120.570 0.067 0.000 2.127 192 I HA -0.278 3.892 4.170 0.000 0.000 0.241 192 I C 2.950 179.119 176.117 0.086 0.000 1.075 192 I CA 1.587 62.926 61.300 0.066 0.000 1.334 192 I CB -1.972 36.047 38.000 0.032 0.000 1.040 192 I HN 0.349 nan 8.210 nan 0.000 0.405 193 A N 1.486 124.349 122.820 0.073 0.000 1.892 193 A HA -0.247 4.073 4.320 0.000 0.000 0.218 193 A C 2.398 180.074 177.584 0.154 0.000 1.188 193 A CA 2.414 54.517 52.037 0.110 0.000 0.631 193 A CB -0.759 18.295 19.000 0.091 0.000 0.822 193 A HN 0.490 nan 8.150 nan 0.000 0.447 194 M N -0.959 118.709 119.600 0.112 0.000 2.213 194 M HA -0.094 4.386 4.480 0.000 0.000 0.263 194 M C 1.957 178.304 176.300 0.078 0.000 1.062 194 M CA 1.154 56.509 55.300 0.091 0.000 1.105 194 M CB -0.518 32.131 32.600 0.081 0.000 1.385 194 M HN 0.198 nan 8.290 nan 0.000 0.417 195 V N -0.180 119.802 119.914 0.113 0.000 2.667 195 V HA -0.235 3.885 4.120 0.000 0.000 0.252 195 V C 2.326 178.556 176.094 0.227 0.000 1.065 195 V CA 2.084 64.465 62.300 0.135 0.000 1.083 195 V CB -0.844 31.084 31.823 0.174 0.000 0.692 195 V HN 0.502 nan 8.190 nan 0.000 0.468 196 H N -0.358 118.771 119.070 0.098 0.000 2.293 196 H HA -0.162 4.394 4.556 0.000 0.000 0.300 196 H C 2.012 177.355 175.328 0.025 0.000 1.082 196 H CA 2.009 58.114 56.048 0.096 0.000 1.308 196 H CB -0.210 29.586 29.762 0.057 0.000 1.375 196 H HN 0.193 nan 8.280 nan 0.000 0.495 197 L N 0.178 121.358 121.223 -0.071 0.000 1.971 197 L HA -0.172 4.168 4.340 0.000 0.000 0.215 197 L C 2.649 179.269 176.870 -0.416 0.000 1.072 197 L CA 1.724 56.349 54.840 -0.358 0.000 0.758 197 L CB -1.492 40.385 42.059 -0.303 0.000 0.889 197 L HN 0.451 nan 8.230 nan 0.000 0.433 198 L N -1.270 119.825 121.223 -0.213 0.000 2.040 198 L HA -0.342 3.998 4.340 0.000 0.000 0.228 198 L C 2.377 179.103 176.870 -0.241 0.000 1.092 198 L CA 2.167 56.885 54.840 -0.203 0.000 0.805 198 L CB -0.677 41.255 42.059 -0.212 0.000 0.905 198 L HN 0.175 nan 8.230 nan 0.000 0.443 199 F N -1.604 118.274 119.950 -0.121 0.000 2.206 199 F HA -0.134 4.393 4.527 0.000 0.000 0.298 199 F C 2.158 177.841 175.800 -0.196 0.000 1.090 199 F CA 1.408 59.341 58.000 -0.113 0.000 1.323 199 F CB -0.463 38.502 39.000 -0.057 0.000 1.028 199 F HN 0.133 nan 8.300 nan 0.000 0.492 200 L N -0.918 120.233 121.223 -0.120 0.000 2.291 200 L HA -0.143 4.197 4.340 0.000 0.000 0.214 200 L C 1.957 178.728 176.870 -0.165 0.000 1.120 200 L CA 1.725 56.409 54.840 -0.260 0.000 0.799 200 L CB -0.714 41.150 42.059 -0.324 0.000 0.925 200 L HN 0.200 nan 8.230 nan 0.000 0.446 201 H N -1.126 117.825 119.070 -0.198 0.000 2.555 201 H HA 0.000 4.556 4.556 0.000 0.000 0.269 201 H C 1.380 176.602 175.328 -0.176 0.000 0.988 201 H CA 0.500 56.426 56.048 -0.204 0.000 1.178 201 H CB 0.415 30.048 29.762 -0.215 0.000 1.373 201 H HN 0.517 nan 8.280 nan 0.000 0.588 202 E N -0.171 119.996 120.200 -0.055 0.000 2.442 202 E HA -0.044 4.306 4.350 0.000 0.000 0.195 202 E C 1.355 177.895 176.600 -0.100 0.000 1.030 202 E CA 1.156 57.512 56.400 -0.072 0.000 0.869 202 E CB 0.532 30.200 29.700 -0.053 0.000 0.857 202 E HN 0.499 nan 8.360 nan 0.000 0.505 203 T N -3.919 110.524 114.554 -0.184 0.000 2.993 203 T HA 0.377 4.727 4.350 0.000 0.000 0.260 203 T C 0.917 175.516 174.700 -0.169 0.000 0.939 203 T CA 0.128 62.102 62.100 -0.211 0.000 0.886 203 T CB 1.074 69.724 68.868 -0.363 0.000 1.209 203 T HN 0.229 nan 8.240 nan 0.000 0.518 204 G N 1.249 109.949 108.800 -0.166 0.000 2.681 204 G HA2 -0.031 3.929 3.960 0.000 0.000 0.220 204 G HA3 -0.031 3.929 3.960 0.000 0.000 0.220 204 G C -0.390 174.542 174.900 0.053 0.000 1.353 204 G CA -0.334 44.735 45.100 -0.052 0.000 0.872 204 G HN 0.651 nan 8.290 nan 0.000 0.557 205 S N -0.599 115.181 115.700 0.133 0.000 2.722 205 S HA 0.627 5.097 4.470 0.000 0.000 0.292 205 S C 0.658 175.425 174.600 0.279 0.000 1.135 205 S CA -0.079 58.293 58.200 0.286 0.000 1.003 205 S CB 1.430 64.704 63.200 0.123 0.000 1.067 205 S HN 0.861 nan 8.310 nan 0.000 0.546 206 N N 0.531 119.440 118.700 0.348 0.000 2.643 206 N HA 0.403 5.143 4.740 0.000 0.000 0.305 206 N C -1.139 174.366 175.510 -0.009 0.000 1.283 206 N CA -0.571 52.574 53.050 0.158 0.000 0.946 206 N CB 0.749 39.288 38.487 0.086 0.000 1.149 206 N HN 0.874 nan 8.380 nan 0.000 0.600 207 N N -1.309 117.349 118.700 -0.070 0.000 2.610 207 N HA 0.297 5.037 4.740 0.000 0.000 0.264 207 N C -2.676 172.753 175.510 -0.135 0.000 1.348 207 N CA -1.374 51.485 53.050 -0.318 0.000 0.819 207 N CB 2.462 40.785 38.487 -0.273 0.000 1.521 207 N HN 0.149 nan 8.380 nan 0.000 0.497 208 P HA -0.353 nan 4.420 nan 0.000 0.214 208 P C 1.588 178.919 177.300 0.052 0.000 1.099 208 P CA 3.330 66.477 63.100 0.078 0.000 0.976 208 P CB -0.456 31.294 31.700 0.083 0.000 0.774 209 T N -4.222 110.330 114.554 -0.003 0.000 2.653 209 T HA -0.138 4.212 4.350 0.000 0.000 0.268 209 T C 1.680 176.449 174.700 0.114 0.000 1.035 209 T CA 1.906 64.043 62.100 0.062 0.000 1.154 209 T CB -1.594 67.390 68.868 0.193 0.000 0.862 209 T HN 0.453 nan 8.240 nan 0.000 0.441 210 G N 1.023 109.870 108.800 0.078 0.000 2.144 210 G HA2 -0.135 3.825 3.960 0.000 0.000 0.218 210 G HA3 -0.135 3.825 3.960 0.000 0.000 0.218 210 G C -0.019 174.920 174.900 0.065 0.000 0.988 210 G CA -0.042 45.092 45.100 0.057 0.000 0.659 210 G HN 0.682 nan 8.290 nan 0.000 0.522 211 I N 1.103 121.723 120.570 0.084 0.000 2.562 211 I HA 0.438 4.609 4.170 0.000 0.000 0.301 211 I C 1.034 177.173 176.117 0.037 0.000 1.003 211 I CA -0.999 60.341 61.300 0.065 0.000 1.127 211 I CB 1.832 39.887 38.000 0.092 0.000 1.304 211 I HN 0.045 nan 8.210 nan 0.000 0.446 212 S N 2.180 117.899 115.700 0.031 0.000 2.571 212 S HA -0.048 4.422 4.470 0.000 0.000 0.298 212 S C 0.750 175.361 174.600 0.019 0.000 1.280 212 S CA 0.238 58.455 58.200 0.028 0.000 1.052 212 S CB 0.231 63.447 63.200 0.027 0.000 0.799 212 S HN 0.812 nan 8.310 nan 0.000 0.501 213 S N 0.604 116.310 115.700 0.011 0.000 2.855 213 S HA 0.185 4.655 4.470 0.000 0.000 0.249 213 S C 0.306 174.907 174.600 0.000 0.000 1.033 213 S CA -0.614 57.586 58.200 -0.001 0.000 1.038 213 S CB 0.257 63.443 63.200 -0.023 0.000 0.960 213 S HN 0.586 nan 8.310 nan 0.000 0.548 214 D N 2.687 123.092 120.400 0.008 0.000 2.182 214 D HA -0.108 4.532 4.640 0.000 0.000 0.201 214 D C 2.268 178.571 176.300 0.005 0.000 0.986 214 D CA 1.508 55.512 54.000 0.006 0.000 0.847 214 D CB -0.382 40.423 40.800 0.008 0.000 0.942 214 D HN 0.551 nan 8.370 nan 0.000 0.467 215 V N -1.327 118.591 119.914 0.006 0.000 2.759 215 V HA -0.072 4.048 4.120 0.000 0.000 0.256 215 V C 0.852 176.947 176.094 0.001 0.000 1.080 215 V CA 1.339 63.641 62.300 0.004 0.000 1.101 215 V CB -0.160 31.666 31.823 0.006 0.000 0.698 215 V HN -0.112 nan 8.190 nan 0.000 0.477 216 D N 0.815 121.214 120.400 -0.003 0.000 2.749 216 D HA 0.274 4.914 4.640 0.000 0.000 0.338 216 D C -0.105 176.189 176.300 -0.010 0.000 1.236 216 D CA -0.218 53.776 54.000 -0.010 0.000 0.845 216 D CB 0.382 41.171 40.800 -0.017 0.000 1.080 216 D HN 0.350 nan 8.370 nan 0.000 0.497 217 K N 0.479 120.880 120.400 0.002 0.000 2.168 217 K HA 0.624 4.944 4.320 0.000 0.000 0.239 217 K C -0.005 176.616 176.600 0.035 0.000 0.999 217 K CA -0.782 55.516 56.287 0.018 0.000 0.900 217 K CB 2.168 34.681 32.500 0.021 0.000 1.111 217 K HN 0.206 nan 8.250 nan 0.000 0.452 218 I N 2.064 122.686 120.570 0.086 0.000 2.692 218 I HA 0.181 4.351 4.170 0.000 0.000 0.293 218 I C -2.419 173.860 176.117 0.270 0.000 1.200 218 I CA -2.136 59.246 61.300 0.138 0.000 1.036 218 I CB 2.954 40.983 38.000 0.049 0.000 1.258 218 I HN 0.360 nan 8.210 nan 0.000 0.421 219 P HA -0.009 nan 4.420 nan 0.000 0.267 219 P C 0.456 178.008 177.300 0.420 0.000 1.205 219 P CA 0.144 63.423 63.100 0.298 0.000 0.765 219 P CB 0.685 32.525 31.700 0.234 0.000 0.828 220 F N 3.351 123.455 119.950 0.256 0.000 2.134 220 F HA -0.195 4.332 4.527 0.000 0.000 0.299 220 F C 2.601 178.562 175.800 0.268 0.000 1.097 220 F CA 1.814 60.004 58.000 0.315 0.000 1.264 220 F CB -0.717 38.376 39.000 0.154 0.000 1.001 220 F HN 0.482 nan 8.300 nan 0.000 0.479 221 H N 0.346 119.549 119.070 0.221 0.000 2.253 221 H HA -0.089 4.467 4.556 0.000 0.000 0.299 221 H C -0.792 174.472 175.328 -0.107 0.000 1.064 221 H CA 2.585 58.686 56.048 0.088 0.000 1.264 221 H CB -1.478 28.337 29.762 0.089 0.000 1.371 221 H HN 0.061 nan 8.280 nan 0.000 0.493 222 P HA -0.238 nan 4.420 nan 0.000 0.206 222 P C 0.844 177.734 177.300 -0.682 0.000 1.142 222 P CA 2.087 64.912 63.100 -0.459 0.000 0.946 222 P CB -0.460 30.804 31.700 -0.726 0.000 0.777 223 Y N -1.648 118.489 120.300 -0.271 0.000 2.387 223 Y HA -0.179 4.371 4.550 0.000 0.000 0.234 223 Y C 2.800 178.354 175.900 -0.577 0.000 1.007 223 Y CA 1.251 59.059 58.100 -0.486 0.000 1.012 223 Y CB -2.268 35.779 38.460 -0.688 0.000 1.017 223 Y HN -0.106 nan 8.280 nan 0.000 0.486 224 Y N 0.864 120.969 120.300 -0.326 0.000 2.316 224 Y HA -0.319 4.231 4.550 0.000 0.000 0.279 224 Y C 2.694 178.223 175.900 -0.618 0.000 1.217 224 Y CA 1.731 59.457 58.100 -0.625 0.000 1.273 224 Y CB -1.873 35.845 38.460 -1.236 0.000 0.970 224 Y HN 0.455 nan 8.280 nan 0.000 0.553 225 T N -2.387 111.894 114.554 -0.454 0.000 2.821 225 T HA -0.122 4.228 4.350 0.000 0.000 0.267 225 T C 1.740 176.327 174.700 -0.188 0.000 1.046 225 T CA 1.394 63.341 62.100 -0.255 0.000 1.139 225 T CB -0.480 68.159 68.868 -0.382 0.000 0.871 225 T HN 0.268 nan 8.240 nan 0.000 0.454 226 I N 1.220 121.652 120.570 -0.230 0.000 2.233 226 I HA 0.010 4.180 4.170 0.000 0.000 0.243 226 I C 2.626 178.676 176.117 -0.112 0.000 1.093 226 I CA 1.150 62.355 61.300 -0.158 0.000 1.380 226 I CB -1.239 36.666 38.000 -0.158 0.000 1.067 226 I HN 0.256 nan 8.210 nan 0.000 0.413 227 K N 0.985 121.311 120.400 -0.123 0.000 2.044 227 K HA -0.233 4.087 4.320 0.000 0.000 0.210 227 K C 1.802 178.388 176.600 -0.023 0.000 1.049 227 K CA 2.137 58.385 56.287 -0.064 0.000 0.927 227 K CB -0.091 32.387 32.500 -0.037 0.000 0.713 227 K HN 0.240 nan 8.250 nan 0.000 0.443 228 D N 0.627 121.030 120.400 0.004 0.000 2.104 228 D HA -0.163 4.477 4.640 0.000 0.000 0.194 228 D C 1.862 178.165 176.300 0.004 0.000 0.994 228 D CA 1.032 55.057 54.000 0.042 0.000 0.830 228 D CB -0.206 40.666 40.800 0.120 0.000 0.959 228 D HN 0.176 nan 8.370 nan 0.000 0.452 229 I N 0.197 120.758 120.570 -0.015 0.000 2.163 229 I HA -0.265 3.905 4.170 0.000 0.000 0.243 229 I C 2.327 178.427 176.117 -0.030 0.000 1.085 229 I CA 0.668 61.955 61.300 -0.021 0.000 1.347 229 I CB -0.129 37.850 38.000 -0.034 0.000 1.044 229 I HN 0.038 nan 8.210 nan 0.000 0.408 230 L N 0.840 122.039 121.223 -0.040 0.000 2.046 230 L HA -0.105 4.235 4.340 0.000 0.000 0.208 230 L C 2.303 179.144 176.870 -0.049 0.000 1.077 230 L CA 2.303 57.117 54.840 -0.044 0.000 0.747 230 L CB -1.176 40.853 42.059 -0.050 0.000 0.896 230 L HN 0.194 nan 8.230 nan 0.000 0.432 231 G N -1.067 107.700 108.800 -0.055 0.000 2.432 231 G HA2 -0.236 3.724 3.960 0.000 0.000 0.219 231 G HA3 -0.236 3.724 3.960 0.000 0.000 0.219 231 G C 1.583 176.442 174.900 -0.069 0.000 1.135 231 G CA 0.739 45.788 45.100 -0.085 0.000 0.767 231 G HN 0.660 nan 8.290 nan 0.000 0.550 232 A N 0.238 123.033 122.820 -0.041 0.000 1.930 232 A HA 0.122 4.442 4.320 0.000 0.000 0.217 232 A C 2.310 179.881 177.584 -0.021 0.000 1.175 232 A CA 1.411 53.432 52.037 -0.026 0.000 0.627 232 A CB -0.373 18.620 19.000 -0.011 0.000 0.815 232 A HN 0.339 nan 8.150 nan 0.000 0.443 233 L N -0.159 121.049 121.223 -0.024 0.000 2.012 233 L HA -0.124 4.216 4.340 0.000 0.000 0.210 233 L C 2.390 179.251 176.870 -0.016 0.000 1.073 233 L CA 1.626 56.455 54.840 -0.018 0.000 0.748 233 L CB -0.583 41.463 42.059 -0.021 0.000 0.891 233 L HN 0.414 nan 8.230 nan 0.000 0.431 234 L N -1.664 119.541 121.223 -0.029 0.000 2.046 234 L HA -0.225 4.115 4.340 0.000 0.000 0.208 234 L C 2.464 179.323 176.870 -0.018 0.000 1.077 234 L CA 1.002 55.824 54.840 -0.030 0.000 0.747 234 L CB -0.564 41.461 42.059 -0.057 0.000 0.896 234 L HN 0.339 nan 8.230 nan 0.000 0.432 235 L N 0.222 121.430 121.223 -0.026 0.000 1.970 235 L HA -0.248 4.092 4.340 0.000 0.000 0.212 235 L C 2.396 179.276 176.870 0.017 0.000 1.071 235 L CA 1.871 56.709 54.840 -0.004 0.000 0.751 235 L CB -0.483 41.570 42.059 -0.011 0.000 0.889 235 L HN 0.078 nan 8.230 nan 0.000 0.432 236 I N -0.575 120.003 120.570 0.013 0.000 2.264 236 I HA -0.280 3.890 4.170 0.000 0.000 0.248 236 I C 2.522 178.657 176.117 0.030 0.000 1.111 236 I CA 1.496 62.809 61.300 0.022 0.000 1.382 236 I CB -0.812 37.195 38.000 0.011 0.000 1.060 236 I HN 0.418 nan 8.210 nan 0.000 0.418 237 L N 1.670 122.908 121.223 0.025 0.000 2.017 237 L HA -0.146 4.194 4.340 0.000 0.000 0.208 237 L C 2.618 179.518 176.870 0.050 0.000 1.073 237 L CA 2.267 57.129 54.840 0.037 0.000 0.745 237 L CB -0.780 41.293 42.059 0.024 0.000 0.894 237 L HN 0.153 nan 8.230 nan 0.000 0.432 238 A N -0.530 122.315 122.820 0.042 0.000 1.902 238 A HA -0.177 4.143 4.320 0.000 0.000 0.217 238 A C 2.249 179.872 177.584 0.064 0.000 1.181 238 A CA 1.843 53.910 52.037 0.049 0.000 0.623 238 A CB -1.053 17.971 19.000 0.041 0.000 0.818 238 A HN 0.550 nan 8.150 nan 0.000 0.443 239 L N -1.315 119.948 121.223 0.066 0.000 2.046 239 L HA -0.121 4.219 4.340 0.000 0.000 0.208 239 L C 2.158 179.080 176.870 0.088 0.000 1.077 239 L CA 2.080 56.969 54.840 0.081 0.000 0.747 239 L CB -0.426 41.682 42.059 0.082 0.000 0.896 239 L HN 0.256 nan 8.230 nan 0.000 0.432 240 M N -1.313 118.334 119.600 0.077 0.000 2.236 240 M HA -0.031 4.449 4.480 0.000 0.000 0.266 240 M C 2.176 178.543 176.300 0.112 0.000 1.070 240 M CA 1.051 56.396 55.300 0.076 0.000 1.137 240 M CB -1.319 31.312 32.600 0.051 0.000 1.378 240 M HN 0.273 nan 8.290 nan 0.000 0.426 241 L N 0.265 121.577 121.223 0.147 0.000 2.043 241 L HA -0.184 4.156 4.340 0.000 0.000 0.212 241 L C 2.278 179.280 176.870 0.220 0.000 1.075 241 L CA 1.657 56.636 54.840 0.233 0.000 0.752 241 L CB -1.136 41.008 42.059 0.142 0.000 0.891 241 L HN 0.240 nan 8.230 nan 0.000 0.432 242 L N -2.240 119.068 121.223 0.142 0.000 2.240 242 L HA -0.040 4.301 4.340 0.000 0.000 0.211 242 L C 2.228 179.180 176.870 0.136 0.000 1.106 242 L CA 0.939 55.853 54.840 0.124 0.000 0.793 242 L CB -0.066 42.048 42.059 0.092 0.000 0.927 242 L HN 0.056 nan 8.230 nan 0.000 0.446 243 V N -1.459 118.531 119.914 0.127 0.000 2.599 243 V HA -0.071 4.049 4.120 0.000 0.000 0.245 243 V C 1.976 178.120 176.094 0.084 0.000 1.046 243 V CA 0.838 63.220 62.300 0.137 0.000 1.065 243 V CB 0.331 32.238 31.823 0.141 0.000 0.703 243 V HN 0.276 nan 8.190 nan 0.000 0.464 244 L N -1.523 119.716 121.223 0.027 0.000 2.249 244 L HA 0.261 4.601 4.340 0.000 0.000 0.207 244 L C 1.591 178.321 176.870 -0.232 0.000 1.090 244 L CA 1.776 56.538 54.840 -0.131 0.000 0.802 244 L CB -0.520 41.368 42.059 -0.283 0.000 0.947 244 L HN 0.327 nan 8.230 nan 0.000 0.453 245 F N -1.692 118.281 119.950 0.038 0.000 2.767 245 F HA 0.437 4.965 4.527 0.000 0.000 0.323 245 F C 1.054 176.863 175.800 0.015 0.000 1.091 245 F CA 0.236 58.247 58.000 0.018 0.000 1.192 245 F CB 0.206 39.216 39.000 0.017 0.000 1.056 245 F HN -0.053 nan 8.300 nan 0.000 0.571 246 A N -0.467 122.462 122.820 0.182 0.000 2.897 246 A HA 0.391 4.711 4.320 0.000 0.000 0.230 246 A C -1.829 175.825 177.584 0.117 0.000 0.896 246 A CA -0.714 51.400 52.037 0.129 0.000 1.114 246 A CB -0.527 18.542 19.000 0.115 0.000 1.230 246 A HN -0.068 nan 8.150 nan 0.000 0.481 247 P HA -0.260 nan 4.420 nan 0.000 0.214 247 P C 0.430 177.870 177.300 0.233 0.000 1.099 247 P CA 1.910 65.083 63.100 0.121 0.000 0.976 247 P CB 0.099 31.743 31.700 -0.093 0.000 0.774 248 D N -1.183 119.358 120.400 0.235 0.000 2.349 248 D HA 0.020 4.660 4.640 0.000 0.000 0.215 248 D C 1.998 178.401 176.300 0.172 0.000 1.016 248 D CA -0.085 54.071 54.000 0.259 0.000 0.870 248 D CB -0.509 40.487 40.800 0.327 0.000 0.917 248 D HN 0.125 nan 8.370 nan 0.000 0.524 249 L N 0.574 121.876 121.223 0.131 0.000 2.017 249 L HA -0.296 4.044 4.340 0.000 0.000 0.234 249 L C 2.153 179.066 176.870 0.072 0.000 1.097 249 L CA 1.694 56.588 54.840 0.090 0.000 0.816 249 L CB -0.279 41.820 42.059 0.067 0.000 0.914 249 L HN 0.097 nan 8.230 nan 0.000 0.444 250 L N 0.695 121.949 121.223 0.051 0.000 2.046 250 L HA -0.016 4.324 4.340 0.000 0.000 0.208 250 L C 1.620 178.523 176.870 0.055 0.000 1.077 250 L CA 1.720 56.558 54.840 -0.003 0.000 0.747 250 L CB -1.555 40.464 42.059 -0.067 0.000 0.896 250 L HN 0.337 nan 8.230 nan 0.000 0.432 251 G N -0.027 108.841 108.800 0.113 0.000 2.687 251 G HA2 -0.101 3.859 3.960 0.000 0.000 0.288 251 G HA3 -0.101 3.859 3.960 0.000 0.000 0.288 251 G C 0.806 175.783 174.900 0.128 0.000 0.713 251 G CA 0.147 45.330 45.100 0.138 0.000 2.023 251 G HN 0.314 nan 8.290 nan 0.000 0.529 252 D N 2.738 123.207 120.400 0.114 0.000 2.160 252 D HA -0.104 4.536 4.640 0.000 0.000 0.189 252 D C -1.101 175.268 176.300 0.116 0.000 1.003 252 D CA 0.904 54.966 54.000 0.103 0.000 0.846 252 D CB -0.682 40.172 40.800 0.091 0.000 0.949 252 D HN 0.293 nan 8.370 nan 0.000 0.446 253 P HA 0.030 nan 4.420 nan 0.000 0.261 253 P C -0.158 177.221 177.300 0.132 0.000 1.203 253 P CA 0.283 63.465 63.100 0.137 0.000 0.767 253 P CB 0.372 32.194 31.700 0.203 0.000 0.785 254 D N 0.828 121.321 120.400 0.155 0.000 2.289 254 D HA -0.049 4.591 4.640 0.000 0.000 0.207 254 D C 0.109 176.568 176.300 0.265 0.000 0.966 254 D CA 0.660 54.803 54.000 0.239 0.000 0.868 254 D CB -0.341 40.583 40.800 0.206 0.000 0.943 254 D HN 0.297 nan 8.370 nan 0.000 0.514 255 N N 1.449 120.238 118.700 0.148 0.000 2.360 255 N HA -0.132 4.608 4.740 0.000 0.000 0.292 255 N C -0.395 175.181 175.510 0.109 0.000 1.330 255 N CA 0.323 53.452 53.050 0.132 0.000 1.009 255 N CB -0.501 38.033 38.487 0.078 0.000 1.419 255 N HN 0.271 nan 8.380 nan 0.000 0.487 256 Y N -0.128 120.279 120.300 0.178 0.000 2.801 256 Y HA 0.164 4.714 4.550 0.000 0.000 0.318 256 Y C 0.669 176.787 175.900 0.364 0.000 1.073 256 Y CA -0.200 58.075 58.100 0.291 0.000 1.360 256 Y CB 0.661 39.264 38.460 0.238 0.000 1.220 256 Y HN 0.070 nan 8.280 nan 0.000 0.536 257 T N 2.672 117.410 114.554 0.306 0.000 2.809 257 T HA 0.305 4.655 4.350 0.000 0.000 0.296 257 T C -2.600 172.025 174.700 -0.124 0.000 1.015 257 T CA -2.034 60.095 62.100 0.048 0.000 0.954 257 T CB 0.952 69.840 68.868 0.034 0.000 0.950 257 T HN -0.092 nan 8.240 nan 0.000 0.450 258 P HA 0.060 nan 4.420 nan 0.000 0.266 258 P C -0.941 176.172 177.300 -0.311 0.000 1.180 258 P CA -0.158 62.609 63.100 -0.555 0.000 0.765 258 P CB 0.371 31.604 31.700 -0.779 0.000 0.806 259 A N 3.381 125.973 122.820 -0.379 0.000 2.347 259 A HA 0.193 4.514 4.320 0.000 0.000 0.287 259 A C 0.129 177.409 177.584 -0.507 0.000 1.199 259 A CA -0.357 51.402 52.037 -0.463 0.000 0.851 259 A CB -0.519 18.039 19.000 -0.736 0.000 1.118 259 A HN 0.440 nan 8.150 nan 0.000 0.525 260 N N 4.657 123.188 118.700 -0.282 0.000 2.420 260 N HA 0.229 4.969 4.740 0.000 0.000 0.249 260 N C -2.335 173.051 175.510 -0.208 0.000 1.033 260 N CA -1.445 51.465 53.050 -0.234 0.000 0.944 260 N CB 1.348 39.765 38.487 -0.116 0.000 1.113 260 N HN 0.285 nan 8.380 nan 0.000 0.502 261 P HA -0.019 nan 4.420 nan 0.000 0.238 261 P C -0.103 177.274 177.300 0.129 0.000 1.175 261 P CA 1.054 63.887 63.100 -0.445 0.000 0.757 261 P CB 0.264 31.680 31.700 -0.472 0.000 0.839 262 L N -0.788 120.560 121.223 0.209 0.000 2.480 262 L HA 0.376 4.716 4.340 0.000 0.000 0.253 262 L C -0.086 176.837 176.870 0.089 0.000 1.324 262 L CA -0.281 54.708 54.840 0.249 0.000 0.916 262 L CB 0.621 42.747 42.059 0.113 0.000 1.160 262 L HN -0.076 nan 8.230 nan 0.000 0.503 263 N N -0.158 118.537 118.700 -0.008 0.000 3.204 263 N HA 0.452 5.192 4.740 0.000 0.000 0.285 263 N C -0.946 174.175 175.510 -0.647 0.000 1.536 263 N CA -0.404 52.485 53.050 -0.268 0.000 0.832 263 N CB 2.183 40.564 38.487 -0.176 0.000 1.645 263 N HN -0.017 nan 8.380 nan 0.000 0.586 264 T N 2.018 116.302 114.554 -0.451 0.000 3.029 264 T HA 0.426 4.776 4.350 0.000 0.000 0.346 264 T C -2.588 171.874 174.700 -0.397 0.000 1.211 264 T CA -1.032 60.808 62.100 -0.433 0.000 1.009 264 T CB 0.831 69.544 68.868 -0.258 0.000 1.084 264 T HN 0.278 nan 8.240 nan 0.000 0.536 265 P HA 0.230 nan 4.420 nan 0.000 0.271 265 P C -1.915 175.247 177.300 -0.230 0.000 1.380 265 P CA -1.537 61.396 63.100 -0.277 0.000 0.992 265 P CB 0.475 32.037 31.700 -0.230 0.000 1.230 266 P HA -0.198 nan 4.420 nan 0.000 0.219 266 P C 0.043 176.929 177.300 -0.691 0.000 1.161 266 P CA 1.825 64.681 63.100 -0.406 0.000 0.909 266 P CB -0.132 31.447 31.700 -0.203 0.000 0.793 267 H N -1.975 117.089 119.070 -0.010 0.000 2.699 267 H HA 0.297 4.853 4.556 0.000 0.000 0.256 267 H C -0.060 175.276 175.328 0.012 0.000 1.376 267 H CA -0.732 55.326 56.048 0.018 0.000 1.549 267 H CB -0.027 29.752 29.762 0.029 0.000 1.686 267 H HN 0.097 nan 8.280 nan 0.000 0.550 268 I N 3.354 123.966 120.570 0.070 0.000 2.496 268 I HA 0.134 4.304 4.170 0.000 0.000 0.285 268 I C 0.234 176.329 176.117 -0.035 0.000 1.080 268 I CA 0.283 61.607 61.300 0.040 0.000 1.404 268 I CB 0.403 38.439 38.000 0.060 0.000 1.403 268 I HN 0.349 nan 8.210 nan 0.000 0.539 269 K N 5.846 126.168 120.400 -0.129 0.000 2.569 269 K HA 0.517 4.837 4.320 0.000 0.000 0.259 269 K C -3.059 173.361 176.600 -0.300 0.000 0.932 269 K CA -1.799 54.243 56.287 -0.407 0.000 0.833 269 K CB 1.301 33.638 32.500 -0.271 0.000 1.340 269 K HN 0.117 nan 8.250 nan 0.000 0.429 270 P HA -0.161 nan 4.420 nan 0.000 0.271 270 P C -0.677 176.463 177.300 -0.267 0.000 1.212 270 P CA 0.274 63.236 63.100 -0.229 0.000 0.788 270 P CB 0.321 31.937 31.700 -0.140 0.000 0.865 271 E N 1.444 121.371 120.200 -0.455 0.000 2.373 271 E HA -0.030 4.320 4.350 0.000 0.000 0.263 271 E C 1.475 177.718 176.600 -0.595 0.000 1.073 271 E CA -0.663 55.427 56.400 -0.516 0.000 0.894 271 E CB 0.146 29.415 29.700 -0.720 0.000 1.008 271 E HN 0.609 nan 8.360 nan 0.000 0.420 272 W N 3.357 124.495 121.300 -0.269 0.000 2.186 272 W HA -0.457 4.203 4.660 0.000 0.000 0.359 272 W C 1.539 177.960 176.519 -0.163 0.000 1.587 272 W CA 2.403 59.663 57.345 -0.143 0.000 1.656 272 W CB -1.852 27.587 29.460 -0.034 0.000 0.994 272 W HN 0.821 nan 8.180 nan 0.000 0.469 273 Y N -1.299 117.946 120.300 -1.758 0.000 2.241 273 Y HA -0.121 4.429 4.550 0.000 0.000 0.286 273 Y C 2.180 177.660 175.900 -0.701 0.000 1.166 273 Y CA 1.696 58.812 58.100 -1.641 0.000 1.203 273 Y CB -2.167 34.748 38.460 -2.576 0.000 0.977 273 Y HN -0.085 nan 8.280 nan 0.000 0.529 274 F N -0.046 119.630 119.950 -0.457 0.000 2.749 274 F HA 0.215 4.742 4.527 0.000 0.000 0.300 274 F C 1.857 177.569 175.800 -0.146 0.000 1.103 274 F CA -0.804 57.068 58.000 -0.212 0.000 1.342 274 F CB -0.615 38.177 39.000 -0.346 0.000 1.098 274 F HN 0.068 nan 8.300 nan 0.000 0.586 275 L N -0.210 121.050 121.223 0.063 0.000 1.971 275 L HA -0.277 4.063 4.340 0.000 0.000 0.215 275 L C 2.690 179.639 176.870 0.132 0.000 1.072 275 L CA 1.822 56.719 54.840 0.096 0.000 0.758 275 L CB -1.370 40.736 42.059 0.080 0.000 0.889 275 L HN 0.220 nan 8.230 nan 0.000 0.433 276 F N 1.339 121.301 119.950 0.020 0.000 2.054 276 F HA -0.367 4.160 4.527 0.000 0.000 0.294 276 F C 2.538 178.332 175.800 -0.009 0.000 1.126 276 F CA 1.101 59.091 58.000 -0.018 0.000 1.226 276 F CB -1.719 37.247 39.000 -0.056 0.000 0.947 276 F HN 0.005 nan 8.300 nan 0.000 0.509 277 A N -0.077 121.989 122.820 -1.257 0.000 1.869 277 A HA -0.247 4.073 4.320 0.000 0.000 0.218 277 A C 2.162 179.578 177.584 -0.279 0.000 1.203 277 A CA 2.074 53.605 52.037 -0.845 0.000 0.638 277 A CB -1.865 16.657 19.000 -0.797 0.000 0.831 277 A HN 0.683 nan 8.150 nan 0.000 0.450 278 Y N -0.054 120.087 120.300 -0.263 0.000 1.940 278 Y HA -0.231 4.319 4.550 0.000 0.000 0.250 278 Y C 2.859 178.689 175.900 -0.116 0.000 1.132 278 Y CA 1.812 59.825 58.100 -0.145 0.000 1.079 278 Y CB -1.155 37.252 38.460 -0.088 0.000 0.940 278 Y HN 0.428 nan 8.280 nan 0.000 0.490 279 A N 0.729 123.559 122.820 0.016 0.000 1.883 279 A HA -0.378 3.942 4.320 0.000 0.000 0.232 279 A C 2.219 179.739 177.584 -0.108 0.000 1.671 279 A CA 2.994 54.995 52.037 -0.060 0.000 0.748 279 A CB -1.546 17.443 19.000 -0.018 0.000 0.850 279 A HN 0.590 nan 8.150 nan 0.000 0.488 280 I N -0.880 119.623 120.570 -0.112 0.000 2.147 280 I HA -0.288 3.882 4.170 0.000 0.000 0.245 280 I C 2.500 178.568 176.117 -0.082 0.000 1.059 280 I CA 2.268 63.513 61.300 -0.092 0.000 1.320 280 I CB -1.511 36.414 38.000 -0.126 0.000 1.021 280 I HN 0.517 nan 8.210 nan 0.000 0.415 281 L N 1.019 122.156 121.223 -0.144 0.000 2.017 281 L HA -0.195 4.145 4.340 0.000 0.000 0.208 281 L C 2.758 179.515 176.870 -0.188 0.000 1.073 281 L CA 1.813 56.551 54.840 -0.171 0.000 0.745 281 L CB -0.623 41.279 42.059 -0.262 0.000 0.894 281 L HN 0.117 nan 8.230 nan 0.000 0.432 282 R N -0.429 119.921 120.500 -0.249 0.000 2.081 282 R HA -0.136 4.204 4.340 0.000 0.000 0.235 282 R C 2.314 178.542 176.300 -0.119 0.000 1.131 282 R CA 1.586 57.564 56.100 -0.205 0.000 0.960 282 R CB -0.789 29.384 30.300 -0.212 0.000 0.856 282 R HN 0.639 nan 8.270 nan 0.000 0.436 283 S N 0.908 116.553 115.700 -0.092 0.000 2.428 283 S HA -0.139 4.331 4.470 0.000 0.000 0.240 283 S C 1.044 175.612 174.600 -0.054 0.000 1.036 283 S CA 0.822 58.988 58.200 -0.057 0.000 1.009 283 S CB -0.454 62.730 63.200 -0.026 0.000 0.803 283 S HN 0.134 nan 8.310 nan 0.000 0.486 284 I N 3.437 123.970 120.570 -0.062 0.000 2.342 284 I HA 0.235 4.405 4.170 0.000 0.000 0.291 284 I C -1.124 174.959 176.117 -0.057 0.000 1.010 284 I CA -2.359 58.907 61.300 -0.057 0.000 1.308 284 I CB 0.483 38.448 38.000 -0.059 0.000 1.400 284 I HN 0.013 nan 8.210 nan 0.000 0.488 285 P HA -0.179 nan 4.420 nan 0.000 0.210 285 P C 0.527 177.804 177.300 -0.038 0.000 1.185 285 P CA 1.138 64.214 63.100 -0.040 0.000 0.924 285 P CB -0.016 31.664 31.700 -0.033 0.000 0.786 286 N N 0.300 118.978 118.700 -0.037 0.000 2.492 286 N HA -0.065 4.675 4.740 0.000 0.000 0.260 286 N C 1.046 176.533 175.510 -0.037 0.000 1.215 286 N CA 0.278 53.308 53.050 -0.033 0.000 0.923 286 N CB 0.849 39.316 38.487 -0.033 0.000 1.092 286 N HN 0.036 nan 8.380 nan 0.000 0.448 287 K N 3.098 123.479 120.400 -0.031 0.000 2.167 287 K HA -0.071 4.249 4.320 0.000 0.000 0.203 287 K C 1.545 178.126 176.600 -0.032 0.000 1.052 287 K CA 0.295 56.562 56.287 -0.033 0.000 0.956 287 K CB 0.004 32.490 32.500 -0.022 0.000 0.735 287 K HN 0.454 nan 8.250 nan 0.000 0.451 288 L N 1.142 122.349 121.223 -0.027 0.000 2.109 288 L HA 0.106 4.446 4.340 0.000 0.000 0.207 288 L C 2.105 178.957 176.870 -0.029 0.000 1.086 288 L CA 1.991 56.817 54.840 -0.024 0.000 0.760 288 L CB -1.015 41.035 42.059 -0.016 0.000 0.910 288 L HN 0.284 nan 8.230 nan 0.000 0.437 289 G N -1.126 107.652 108.800 -0.037 0.000 2.443 289 G HA2 -0.164 3.796 3.960 0.000 0.000 0.219 289 G HA3 -0.164 3.796 3.960 0.000 0.000 0.219 289 G C 1.471 176.341 174.900 -0.049 0.000 1.131 289 G CA 0.570 45.641 45.100 -0.049 0.000 0.775 289 G HN 0.567 nan 8.290 nan 0.000 0.547 290 G N 0.294 109.066 108.800 -0.048 0.000 2.394 290 G HA2 -0.075 3.885 3.960 0.000 0.000 0.215 290 G HA3 -0.075 3.885 3.960 0.000 0.000 0.215 290 G C 1.731 176.607 174.900 -0.041 0.000 1.165 290 G CA 1.001 46.069 45.100 -0.053 0.000 0.784 290 G HN 0.279 nan 8.290 nan 0.000 0.535 291 V N 1.248 121.141 119.914 -0.036 0.000 2.261 291 V HA -0.124 3.996 4.120 0.000 0.000 0.246 291 V C 2.947 179.043 176.094 0.003 0.000 1.047 291 V CA 1.488 63.772 62.300 -0.027 0.000 1.015 291 V CB -0.456 31.350 31.823 -0.028 0.000 0.642 291 V HN 0.329 nan 8.190 nan 0.000 0.446 292 L N 0.299 121.527 121.223 0.008 0.000 2.013 292 L HA -0.194 4.146 4.340 0.000 0.000 0.212 292 L C 2.480 179.405 176.870 0.093 0.000 1.073 292 L CA 2.058 56.924 54.840 0.043 0.000 0.753 292 L CB -1.056 41.011 42.059 0.012 0.000 0.890 292 L HN 0.403 nan 8.230 nan 0.000 0.432 293 A N -0.745 122.102 122.820 0.046 0.000 2.235 293 A HA -0.017 4.303 4.320 0.000 0.000 0.208 293 A C 2.033 179.725 177.584 0.179 0.000 1.172 293 A CA 0.575 52.681 52.037 0.115 0.000 0.786 293 A CB -0.305 18.694 19.000 -0.002 0.000 0.804 293 A HN 0.368 nan 8.150 nan 0.000 0.479 294 L N -1.325 119.949 121.223 0.085 0.000 2.221 294 L HA 0.306 4.646 4.340 0.000 0.000 0.202 294 L C 2.474 179.374 176.870 0.050 0.000 1.074 294 L CA 1.794 56.642 54.840 0.013 0.000 0.795 294 L CB -0.630 41.398 42.059 -0.052 0.000 0.960 294 L HN 0.212 nan 8.230 nan 0.000 0.458 295 A N -0.664 122.207 122.820 0.085 0.000 1.902 295 A HA -0.241 4.079 4.320 0.000 0.000 0.217 295 A C 2.226 179.921 177.584 0.184 0.000 1.181 295 A CA 1.941 54.038 52.037 0.100 0.000 0.623 295 A CB -1.185 17.868 19.000 0.088 0.000 0.818 295 A HN 0.510 nan 8.150 nan 0.000 0.443 296 F N 0.656 120.693 119.950 0.146 0.000 2.325 296 F HA -0.071 4.456 4.527 0.000 0.000 0.299 296 F C 2.715 178.719 175.800 0.340 0.000 1.090 296 F CA 1.201 59.351 58.000 0.250 0.000 1.392 296 F CB -0.138 39.025 39.000 0.271 0.000 1.053 296 F HN 0.280 nan 8.300 nan 0.000 0.521 297 S N 0.485 116.461 115.700 0.459 0.000 2.359 297 S HA -0.233 4.237 4.470 0.000 0.000 0.223 297 S C 2.096 176.893 174.600 0.328 0.000 1.039 297 S CA 2.087 60.449 58.200 0.269 0.000 1.042 297 S CB -0.535 62.689 63.200 0.041 0.000 0.915 297 S HN 0.425 nan 8.310 nan 0.000 0.439 298 I N 0.843 121.574 120.570 0.268 0.000 2.277 298 I HA -0.009 4.161 4.170 0.000 0.000 0.243 298 I C 2.143 178.327 176.117 0.112 0.000 1.094 298 I CA 0.749 62.201 61.300 0.252 0.000 1.393 298 I CB -0.174 37.962 38.000 0.226 0.000 1.078 298 I HN 0.300 nan 8.210 nan 0.000 0.417 299 L N 0.366 121.601 121.223 0.019 0.000 2.291 299 L HA -0.157 4.183 4.340 0.000 0.000 0.214 299 L C 2.509 179.264 176.870 -0.193 0.000 1.120 299 L CA 0.988 55.776 54.840 -0.086 0.000 0.799 299 L CB -0.500 41.486 42.059 -0.122 0.000 0.925 299 L HN 0.341 nan 8.230 nan 0.000 0.446 300 I N 0.563 120.967 120.570 -0.276 0.000 2.181 300 I HA -0.415 3.755 4.170 0.000 0.000 0.247 300 I C 2.523 178.591 176.117 -0.081 0.000 1.081 300 I CA 1.617 62.736 61.300 -0.302 0.000 1.340 300 I CB 0.016 37.999 38.000 -0.028 0.000 1.036 300 I HN 0.269 nan 8.210 nan 0.000 0.417 301 L N 0.687 121.934 121.223 0.041 0.000 2.054 301 L HA -0.326 4.014 4.340 0.000 0.000 0.220 301 L C 2.691 179.720 176.870 0.266 0.000 1.081 301 L CA 1.868 56.821 54.840 0.188 0.000 0.780 301 L CB -0.850 41.311 42.059 0.170 0.000 0.893 301 L HN 0.386 nan 8.230 nan 0.000 0.438 302 A N -0.731 122.168 122.820 0.131 0.000 2.131 302 A HA -0.134 4.186 4.320 0.000 0.000 0.220 302 A C 1.962 179.565 177.584 0.033 0.000 1.158 302 A CA 1.477 53.587 52.037 0.121 0.000 0.665 302 A CB -0.414 18.609 19.000 0.039 0.000 0.795 302 A HN 0.424 nan 8.150 nan 0.000 0.460 303 L N -0.549 120.655 121.223 -0.032 0.000 2.513 303 L HA 0.115 4.455 4.340 0.000 0.000 0.222 303 L C 1.958 178.738 176.870 -0.150 0.000 1.096 303 L CA 0.076 54.876 54.840 -0.066 0.000 0.857 303 L CB -0.298 41.740 42.059 -0.035 0.000 1.026 303 L HN 0.264 nan 8.230 nan 0.000 0.469 304 I N 0.673 121.116 120.570 -0.212 0.000 2.132 304 I HA -0.317 3.853 4.170 0.000 0.000 0.238 304 I C -0.093 175.674 176.117 -0.584 0.000 1.012 304 I CA 2.081 63.115 61.300 -0.442 0.000 1.288 304 I CB -2.417 35.204 38.000 -0.631 0.000 0.997 304 I HN 0.209 nan 8.210 nan 0.000 0.402 305 P HA -0.220 nan 4.420 nan 0.000 0.219 305 P C 1.955 179.129 177.300 -0.210 0.000 1.159 305 P CA 1.876 64.697 63.100 -0.466 0.000 0.944 305 P CB -0.270 31.254 31.700 -0.293 0.000 0.792 306 L N -2.358 118.775 121.223 -0.150 0.000 2.549 306 L HA -0.063 4.277 4.340 0.000 0.000 0.229 306 L C 2.141 178.976 176.870 -0.059 0.000 1.158 306 L CA 0.730 55.525 54.840 -0.076 0.000 0.842 306 L CB -0.805 41.225 42.059 -0.048 0.000 0.952 306 L HN 0.047 nan 8.230 nan 0.000 0.452 307 L N -1.337 119.831 121.223 -0.092 0.000 2.585 307 L HA 0.071 4.411 4.340 0.000 0.000 0.226 307 L C 0.963 177.809 176.870 -0.039 0.000 1.113 307 L CA -0.161 54.641 54.840 -0.063 0.000 0.876 307 L CB -0.200 41.807 42.059 -0.086 0.000 1.072 307 L HN 0.251 nan 8.230 nan 0.000 0.468 308 H N -0.752 118.242 119.070 -0.127 0.000 2.803 308 H HA -0.041 4.515 4.556 0.000 0.000 0.330 308 H C 1.045 176.330 175.328 -0.072 0.000 1.057 308 H CA 0.694 56.694 56.048 -0.079 0.000 1.458 308 H CB 1.188 30.940 29.762 -0.016 0.000 1.470 308 H HN -0.121 nan 8.280 nan 0.000 0.560 309 T N 1.767 116.287 114.554 -0.057 0.000 2.964 309 T HA 0.084 4.434 4.350 0.000 0.000 0.249 309 T C 0.805 175.490 174.700 -0.025 0.000 1.000 309 T CA 0.349 62.431 62.100 -0.029 0.000 0.992 309 T CB -0.055 68.763 68.868 -0.083 0.000 1.087 309 T HN 0.524 nan 8.240 nan 0.000 0.489 310 S N 0.180 115.811 115.700 -0.115 0.000 2.686 310 S HA 0.355 4.825 4.470 0.000 0.000 0.270 310 S C 0.898 175.484 174.600 -0.024 0.000 1.194 310 S CA -0.499 57.642 58.200 -0.099 0.000 0.990 310 S CB 0.794 63.885 63.200 -0.181 0.000 1.029 310 S HN 0.361 nan 8.310 nan 0.000 0.560 311 K N 0.234 120.466 120.400 -0.279 0.000 2.358 311 K HA 0.174 4.494 4.320 0.000 0.000 0.197 311 K C -0.145 176.203 176.600 -0.420 0.000 1.025 311 K CA 0.183 56.178 56.287 -0.485 0.000 1.104 311 K CB 0.303 32.116 32.500 -1.145 0.000 0.855 311 K HN 0.584 nan 8.250 nan 0.000 0.531 312 Q N 1.438 121.104 119.800 -0.223 0.000 2.413 312 Q HA 0.186 4.526 4.340 0.000 0.000 0.258 312 Q C 0.398 176.387 176.000 -0.018 0.000 1.037 312 Q CA -0.282 55.464 55.803 -0.095 0.000 0.764 312 Q CB 1.641 30.377 28.738 -0.004 0.000 1.217 312 Q HN 0.156 nan 8.270 nan 0.000 0.490 313 R N 0.743 121.203 120.500 -0.068 0.000 2.377 313 R HA 0.015 4.355 4.340 0.000 0.000 0.207 313 R C 0.035 176.254 176.300 -0.135 0.000 1.075 313 R CA 0.666 56.705 56.100 -0.101 0.000 1.035 313 R CB 0.346 30.481 30.300 -0.274 0.000 0.857 313 R HN 0.159 nan 8.270 nan 0.000 0.475 314 S N 0.338 115.968 115.700 -0.117 0.000 2.520 314 S HA 0.242 4.712 4.470 0.000 0.000 0.324 314 S C 0.546 174.954 174.600 -0.318 0.000 1.069 314 S CA -0.770 57.309 58.200 -0.202 0.000 1.121 314 S CB 1.130 64.279 63.200 -0.084 0.000 0.971 314 S HN 0.378 nan 8.310 nan 0.000 0.463 315 M N 4.765 124.006 119.600 -0.600 0.000 2.267 315 M HA -0.143 4.337 4.480 0.000 0.000 0.263 315 M C 2.104 178.016 176.300 -0.648 0.000 1.063 315 M CA 1.391 56.253 55.300 -0.729 0.000 1.090 315 M CB -0.247 31.561 32.600 -1.320 0.000 1.392 315 M HN 0.917 nan 8.290 nan 0.000 0.422 316 M N 0.027 119.201 119.600 -0.709 0.000 2.124 316 M HA -0.292 4.188 4.480 0.000 0.000 0.253 316 M C 0.681 176.734 176.300 -0.412 0.000 1.077 316 M CA 2.124 57.106 55.300 -0.531 0.000 1.085 316 M CB -0.304 31.894 32.600 -0.668 0.000 1.320 316 M HN 0.194 nan 8.290 nan 0.000 0.404 317 F N 1.024 120.940 119.950 -0.055 0.000 2.732 317 F HA 0.228 4.755 4.527 0.000 0.000 0.303 317 F C 0.236 176.032 175.800 -0.007 0.000 1.110 317 F CA 0.035 58.036 58.000 0.002 0.000 1.355 317 F CB -0.174 38.847 39.000 0.035 0.000 1.081 317 F HN 0.172 nan 8.300 nan 0.000 0.565 318 R N 0.373 120.900 120.500 0.044 0.000 2.352 318 R HA 0.319 4.659 4.340 0.000 0.000 0.304 318 R C -2.457 173.843 176.300 0.001 0.000 1.104 318 R CA -1.690 54.422 56.100 0.020 0.000 0.991 318 R CB 0.738 31.012 30.300 -0.043 0.000 1.140 318 R HN -0.111 nan 8.270 nan 0.000 0.540 319 P HA -0.135 nan 4.420 nan 0.000 0.214 319 P C 1.190 178.530 177.300 0.066 0.000 1.162 319 P CA 0.914 64.057 63.100 0.073 0.000 0.874 319 P CB 0.214 31.968 31.700 0.090 0.000 0.784 320 L N -0.415 120.837 121.223 0.049 0.000 2.129 320 L HA -0.190 4.150 4.340 0.000 0.000 0.212 320 L C 2.507 179.395 176.870 0.030 0.000 1.087 320 L CA 1.714 56.580 54.840 0.044 0.000 0.757 320 L CB -1.267 40.811 42.059 0.032 0.000 0.896 320 L HN -0.020 nan 8.230 nan 0.000 0.434 321 S N -0.987 114.706 115.700 -0.012 0.000 2.345 321 S HA -0.249 4.221 4.470 0.000 0.000 0.220 321 S C 1.926 176.521 174.600 -0.010 0.000 1.031 321 S CA 1.064 59.233 58.200 -0.052 0.000 0.996 321 S CB -0.328 62.784 63.200 -0.148 0.000 0.882 321 S HN 0.426 nan 8.310 nan 0.000 0.445 322 Q N 0.051 119.847 119.800 -0.007 0.000 2.096 322 Q HA -0.225 4.115 4.340 0.000 0.000 0.208 322 Q C 2.388 178.487 176.000 0.164 0.000 0.993 322 Q CA 1.794 57.637 55.803 0.066 0.000 0.862 322 Q CB -0.375 28.465 28.738 0.170 0.000 0.915 322 Q HN 0.553 nan 8.270 nan 0.000 0.416 323 C N -0.179 119.257 119.300 0.227 0.000 2.432 323 C HA -0.157 4.303 4.460 0.000 0.000 0.277 323 C C 2.551 177.658 174.990 0.196 0.000 1.249 323 C CA 0.920 60.096 59.018 0.263 0.000 1.725 323 C CB -1.034 26.806 27.740 0.168 0.000 2.028 323 C HN 0.513 nan 8.230 nan 0.000 0.477 324 L N -0.831 120.460 121.223 0.114 0.000 2.156 324 L HA -0.045 4.295 4.340 0.000 0.000 0.208 324 L C 2.357 179.250 176.870 0.039 0.000 1.095 324 L CA 1.158 56.039 54.840 0.068 0.000 0.770 324 L CB -0.965 41.114 42.059 0.033 0.000 0.914 324 L HN 0.215 nan 8.230 nan 0.000 0.439 325 F N 0.599 120.486 119.950 -0.106 0.000 2.069 325 F HA -0.236 4.291 4.527 0.000 0.000 0.298 325 F C 2.158 177.858 175.800 -0.167 0.000 1.113 325 F CA 1.438 59.310 58.000 -0.212 0.000 1.214 325 F CB -0.582 38.193 39.000 -0.375 0.000 0.978 325 F HN -0.027 nan 8.300 nan 0.000 0.474 326 W N 0.213 121.525 121.300 0.020 0.000 2.335 326 W HA -0.200 4.460 4.660 0.000 0.000 0.311 326 W C 2.665 179.103 176.519 -0.135 0.000 1.213 326 W CA 1.288 58.582 57.345 -0.085 0.000 1.274 326 W CB -1.062 28.414 29.460 0.028 0.000 1.148 326 W HN 0.143 nan 8.180 nan 0.000 0.498 327 A N 0.672 123.587 122.820 0.159 0.000 1.859 327 A HA -0.305 4.015 4.320 0.000 0.000 0.218 327 A C 1.933 179.516 177.584 -0.001 0.000 1.209 327 A CA 2.091 54.173 52.037 0.075 0.000 0.639 327 A CB -1.361 17.674 19.000 0.059 0.000 0.835 327 A HN 0.368 nan 8.150 nan 0.000 0.450 328 L N -0.303 120.864 121.223 -0.093 0.000 2.089 328 L HA -0.180 4.160 4.340 0.000 0.000 0.213 328 L C 2.317 179.095 176.870 -0.153 0.000 1.079 328 L CA 2.078 56.830 54.840 -0.147 0.000 0.758 328 L CB -0.302 41.592 42.059 -0.274 0.000 0.891 328 L HN 0.184 nan 8.230 nan 0.000 0.433 329 V N -0.069 119.706 119.914 -0.232 0.000 2.270 329 V HA -0.281 3.839 4.120 0.000 0.000 0.245 329 V C 2.781 178.869 176.094 -0.010 0.000 1.043 329 V CA 1.777 63.992 62.300 -0.141 0.000 1.014 329 V CB -1.054 30.699 31.823 -0.117 0.000 0.645 329 V HN 0.634 nan 8.190 nan 0.000 0.447 330 A N -0.211 122.631 122.820 0.036 0.000 1.972 330 A HA -0.283 4.037 4.320 0.000 0.000 0.219 330 A C 1.995 179.616 177.584 0.061 0.000 1.169 330 A CA 2.052 54.118 52.037 0.048 0.000 0.635 330 A CB -0.673 18.354 19.000 0.045 0.000 0.810 330 A HN 0.626 nan 8.150 nan 0.000 0.446 331 D N 0.066 120.501 120.400 0.060 0.000 2.104 331 D HA -0.154 4.486 4.640 0.000 0.000 0.194 331 D C 1.754 178.125 176.300 0.119 0.000 0.994 331 D CA 1.397 55.456 54.000 0.099 0.000 0.830 331 D CB -0.303 40.561 40.800 0.106 0.000 0.959 331 D HN 0.388 nan 8.370 nan 0.000 0.452 332 L N -0.243 121.039 121.223 0.098 0.000 2.129 332 L HA -0.178 4.162 4.340 0.000 0.000 0.212 332 L C 2.462 179.378 176.870 0.078 0.000 1.087 332 L CA 0.616 55.508 54.840 0.087 0.000 0.757 332 L CB -0.386 41.678 42.059 0.009 0.000 0.896 332 L HN 0.199 nan 8.230 nan 0.000 0.434 333 L N -0.826 120.440 121.223 0.071 0.000 2.005 333 L HA -0.182 4.158 4.340 0.000 0.000 0.207 333 L C 2.519 179.480 176.870 0.153 0.000 1.072 333 L CA 2.173 57.065 54.840 0.086 0.000 0.744 333 L CB -0.739 41.353 42.059 0.055 0.000 0.895 333 L HN 0.199 nan 8.230 nan 0.000 0.433 334 T N -0.134 114.525 114.554 0.174 0.000 2.699 334 T HA -0.252 4.098 4.350 0.000 0.000 0.268 334 T C 1.973 176.842 174.700 0.282 0.000 1.036 334 T CA 2.014 64.290 62.100 0.294 0.000 1.147 334 T CB -0.520 68.496 68.868 0.246 0.000 0.862 334 T HN 0.283 nan 8.240 nan 0.000 0.446 335 L N 0.670 122.000 121.223 0.179 0.000 2.083 335 L HA -0.103 4.237 4.340 0.000 0.000 0.209 335 L C 2.946 179.890 176.870 0.124 0.000 1.083 335 L CA 1.228 56.142 54.840 0.124 0.000 0.752 335 L CB -0.897 41.232 42.059 0.117 0.000 0.899 335 L HN 0.283 nan 8.230 nan 0.000 0.433 336 T N -1.528 113.124 114.554 0.163 0.000 2.788 336 T HA -0.241 4.109 4.350 0.000 0.000 0.268 336 T C 1.289 176.092 174.700 0.172 0.000 1.044 336 T CA 1.333 63.531 62.100 0.162 0.000 1.139 336 T CB -0.382 68.584 68.868 0.164 0.000 0.867 336 T HN 0.523 nan 8.240 nan 0.000 0.454 337 W N 2.342 123.641 121.300 -0.001 0.000 2.354 337 W HA -0.113 4.547 4.660 0.000 0.000 0.315 337 W C 1.493 177.945 176.519 -0.111 0.000 1.206 337 W CA 0.378 57.690 57.345 -0.056 0.000 1.290 337 W CB -0.819 28.604 29.460 -0.061 0.000 1.152 337 W HN 0.058 nan 8.180 nan 0.000 0.489 338 I N 1.995 122.332 120.570 -0.388 0.000 2.185 338 I HA -0.232 3.938 4.170 0.000 0.000 0.246 338 I C 2.771 178.711 176.117 -0.294 0.000 1.088 338 I CA 1.615 62.576 61.300 -0.566 0.000 1.347 338 I CB -1.988 35.795 38.000 -0.361 0.000 1.041 338 I HN 0.243 nan 8.210 nan 0.000 0.415 339 G N 0.301 109.051 108.800 -0.083 0.000 2.597 339 G HA2 -0.273 3.687 3.960 0.000 0.000 0.222 339 G HA3 -0.273 3.687 3.960 0.000 0.000 0.222 339 G C 1.622 176.520 174.900 -0.002 0.000 1.135 339 G CA 1.135 46.257 45.100 0.036 0.000 0.759 339 G HN 0.556 nan 8.290 nan 0.000 0.595 340 G N -0.996 107.763 108.800 -0.068 0.000 3.141 340 G HA2 0.297 4.257 3.960 0.000 0.000 0.218 340 G HA3 0.297 4.257 3.960 0.000 0.000 0.218 340 G C 0.558 175.374 174.900 -0.141 0.000 1.170 340 G CA -0.201 44.865 45.100 -0.057 0.000 0.769 340 G HN 0.285 nan 8.290 nan 0.000 0.546 341 Q N 1.108 120.751 119.800 -0.262 0.000 2.293 341 Q HA 0.295 4.635 4.340 0.000 0.000 0.251 341 Q C -2.254 173.734 176.000 -0.020 0.000 0.930 341 Q CA -2.363 53.239 55.803 -0.335 0.000 0.893 341 Q CB 1.235 29.453 28.738 -0.867 0.000 1.215 341 Q HN 0.076 nan 8.270 nan 0.000 0.425 342 P HA -0.105 nan 4.420 nan 0.000 0.269 342 P C 0.826 178.262 177.300 0.228 0.000 1.211 342 P CA 0.031 63.267 63.100 0.227 0.000 0.781 342 P CB 0.318 32.140 31.700 0.204 0.000 0.877 343 V N -1.766 118.259 119.914 0.185 0.000 3.546 343 V HA -0.052 4.068 4.120 0.000 0.000 0.272 343 V C 0.529 176.666 176.094 0.072 0.000 1.228 343 V CA 1.018 63.381 62.300 0.104 0.000 1.184 343 V CB -1.503 30.364 31.823 0.072 0.000 0.886 343 V HN 0.378 nan 8.190 nan 0.000 0.508 344 E N -0.424 119.822 120.200 0.077 0.000 2.330 344 E HA 0.261 4.611 4.350 0.000 0.000 0.256 344 E C 0.832 177.432 176.600 0.000 0.000 1.146 344 E CA 0.002 56.418 56.400 0.026 0.000 0.945 344 E CB 0.584 30.282 29.700 -0.004 0.000 1.182 344 E HN 0.504 nan 8.360 nan 0.000 0.480 345 H N 1.274 120.297 119.070 -0.077 0.000 2.371 345 H HA -0.166 4.390 4.556 0.000 0.000 0.292 345 H C -1.043 174.227 175.328 -0.096 0.000 1.066 345 H CA 3.141 59.146 56.048 -0.072 0.000 1.153 345 H CB -1.007 28.715 29.762 -0.066 0.000 1.375 345 H HN 0.345 nan 8.280 nan 0.000 0.558 346 P HA -0.269 nan 4.420 nan 0.000 0.218 346 P C 1.124 178.365 177.300 -0.098 0.000 1.165 346 P CA 2.211 65.258 63.100 -0.089 0.000 0.922 346 P CB -0.372 31.156 31.700 -0.286 0.000 0.794 347 Y N -1.314 118.926 120.300 -0.099 0.000 2.293 347 Y HA -0.053 4.497 4.550 0.000 0.000 0.291 347 Y C 2.620 178.413 175.900 -0.178 0.000 1.137 347 Y CA -0.144 57.832 58.100 -0.208 0.000 1.202 347 Y CB -1.666 36.644 38.460 -0.249 0.000 0.990 347 Y HN -0.054 nan 8.280 nan 0.000 0.537 348 I N -0.815 119.740 120.570 -0.025 0.000 2.142 348 I HA -0.304 3.866 4.170 0.000 0.000 0.240 348 I C 2.285 178.338 176.117 -0.107 0.000 1.078 348 I CA 1.808 63.061 61.300 -0.078 0.000 1.343 348 I CB -0.604 37.331 38.000 -0.109 0.000 1.046 348 I HN 0.103 nan 8.210 nan 0.000 0.405 349 T N 0.901 115.341 114.554 -0.190 0.000 2.833 349 T HA -0.071 4.279 4.350 0.000 0.000 0.269 349 T C 1.855 176.526 174.700 -0.048 0.000 1.054 349 T CA 1.166 63.171 62.100 -0.158 0.000 1.135 349 T CB -0.159 68.557 68.868 -0.254 0.000 0.869 349 T HN 0.207 nan 8.240 nan 0.000 0.466 350 I N 0.666 121.229 120.570 -0.013 0.000 2.163 350 I HA -0.050 4.120 4.170 0.000 0.000 0.240 350 I C 2.904 179.039 176.117 0.029 0.000 1.081 350 I CA 1.220 62.548 61.300 0.046 0.000 1.353 350 I CB -0.733 37.320 38.000 0.088 0.000 1.054 350 I HN 0.278 nan 8.210 nan 0.000 0.407 351 G N 0.053 108.843 108.800 -0.016 0.000 2.450 351 G HA2 -0.253 3.707 3.960 0.000 0.000 0.220 351 G HA3 -0.253 3.707 3.960 0.000 0.000 0.220 351 G C 1.561 176.465 174.900 0.006 0.000 1.130 351 G CA 0.475 45.563 45.100 -0.020 0.000 0.760 351 G HN 0.421 nan 8.290 nan 0.000 0.557 352 Q N -0.363 119.436 119.800 -0.003 0.000 2.050 352 Q HA 0.039 4.379 4.340 0.000 0.000 0.202 352 Q C 2.685 178.709 176.000 0.041 0.000 0.980 352 Q CA 0.877 56.684 55.803 0.007 0.000 0.840 352 Q CB -0.252 28.475 28.738 -0.019 0.000 0.898 352 Q HN 0.434 nan 8.270 nan 0.000 0.424 353 L N -0.060 121.189 121.223 0.044 0.000 2.093 353 L HA -0.099 4.241 4.340 0.000 0.000 0.208 353 L C 2.468 179.395 176.870 0.094 0.000 1.085 353 L CA 0.948 55.827 54.840 0.065 0.000 0.755 353 L CB -0.783 41.313 42.059 0.061 0.000 0.904 353 L HN 0.194 nan 8.230 nan 0.000 0.435 354 A N -0.102 122.776 122.820 0.096 0.000 1.898 354 A HA -0.153 4.167 4.320 0.000 0.000 0.216 354 A C 2.564 180.236 177.584 0.147 0.000 1.181 354 A CA 1.848 53.957 52.037 0.120 0.000 0.620 354 A CB -0.497 18.572 19.000 0.114 0.000 0.819 354 A HN 0.355 nan 8.150 nan 0.000 0.442 355 S N -0.325 115.450 115.700 0.124 0.000 2.351 355 S HA -0.168 4.302 4.470 0.000 0.000 0.220 355 S C 1.923 176.705 174.600 0.302 0.000 1.035 355 S CA 1.493 59.807 58.200 0.189 0.000 1.031 355 S CB -0.691 62.604 63.200 0.158 0.000 0.928 355 S HN 0.325 nan 8.310 nan 0.000 0.433 356 V N 2.103 122.147 119.914 0.216 0.000 2.250 356 V HA -0.213 3.907 4.120 0.000 0.000 0.250 356 V C 2.314 178.550 176.094 0.237 0.000 1.060 356 V CA 1.917 64.348 62.300 0.218 0.000 1.030 356 V CB -0.707 31.188 31.823 0.119 0.000 0.643 356 V HN 0.356 nan 8.190 nan 0.000 0.445 357 L N -0.456 120.876 121.223 0.182 0.000 1.997 357 L HA -0.261 4.079 4.340 0.000 0.000 0.216 357 L C 2.285 179.248 176.870 0.156 0.000 1.074 357 L CA 2.602 57.530 54.840 0.146 0.000 0.763 357 L CB -1.148 40.984 42.059 0.122 0.000 0.890 357 L HN 0.546 nan 8.230 nan 0.000 0.434 358 Y N -0.806 119.524 120.300 0.050 0.000 2.165 358 Y HA -0.307 4.243 4.550 0.000 0.000 0.286 358 Y C 2.118 177.972 175.900 -0.077 0.000 1.155 358 Y CA 2.083 60.157 58.100 -0.044 0.000 1.164 358 Y CB -0.589 37.804 38.460 -0.113 0.000 0.978 358 Y HN 0.228 nan 8.280 nan 0.000 0.513 359 F N -1.334 118.788 119.950 0.286 0.000 2.293 359 F HA -0.069 4.458 4.527 0.000 0.000 0.297 359 F C 2.069 177.893 175.800 0.039 0.000 1.089 359 F CA 0.585 58.684 58.000 0.166 0.000 1.377 359 F CB -0.623 38.490 39.000 0.188 0.000 1.051 359 F HN 0.104 nan 8.300 nan 0.000 0.511 360 L N 0.103 121.454 121.223 0.213 0.000 1.989 360 L HA -0.212 4.128 4.340 0.000 0.000 0.211 360 L C 2.192 179.086 176.870 0.040 0.000 1.071 360 L CA 1.786 56.692 54.840 0.110 0.000 0.749 360 L CB -0.831 41.285 42.059 0.095 0.000 0.890 360 L HN 0.076 nan 8.230 nan 0.000 0.431 361 L N -1.105 120.114 121.223 -0.007 0.000 1.989 361 L HA -0.281 4.059 4.340 0.000 0.000 0.211 361 L C 2.376 179.190 176.870 -0.093 0.000 1.071 361 L CA 1.776 56.578 54.840 -0.062 0.000 0.749 361 L CB -0.588 41.405 42.059 -0.111 0.000 0.890 361 L HN 0.262 nan 8.230 nan 0.000 0.431 362 I N -1.547 118.928 120.570 -0.158 0.000 2.406 362 I HA -0.203 3.967 4.170 0.000 0.000 0.249 362 I C 2.194 178.302 176.117 -0.016 0.000 1.122 362 I CA 0.593 61.816 61.300 -0.129 0.000 1.431 362 I CB -0.131 37.733 38.000 -0.227 0.000 1.087 362 I HN 0.192 nan 8.210 nan 0.000 0.424 363 L N -0.292 120.967 121.223 0.060 0.000 2.202 363 L HA 0.066 4.406 4.340 0.000 0.000 0.205 363 L C 1.907 178.807 176.870 0.051 0.000 1.083 363 L CA 1.465 56.365 54.840 0.099 0.000 0.790 363 L CB 0.042 42.207 42.059 0.177 0.000 0.942 363 L HN 0.031 nan 8.230 nan 0.000 0.452 364 V N -2.135 117.802 119.914 0.037 0.000 3.177 364 V HA 0.028 4.148 4.120 0.000 0.000 0.219 364 V C 2.032 178.131 176.094 0.008 0.000 1.344 364 V CA 0.240 62.553 62.300 0.022 0.000 1.324 364 V CB 0.371 32.212 31.823 0.030 0.000 1.165 364 V HN 0.099 nan 8.190 nan 0.000 0.510 365 L N -0.126 121.103 121.223 0.010 0.000 1.944 365 L HA -0.251 4.089 4.340 0.000 0.000 0.218 365 L C 2.609 179.472 176.870 -0.012 0.000 1.075 365 L CA 2.288 57.130 54.840 0.003 0.000 0.767 365 L CB -0.929 41.135 42.059 0.008 0.000 0.890 365 L HN 0.283 nan 8.230 nan 0.000 0.434 366 M N -0.291 119.294 119.600 -0.025 0.000 2.110 366 M HA -0.198 4.282 4.480 0.000 0.000 0.257 366 M C -0.002 176.260 176.300 -0.063 0.000 1.071 366 M CA 2.322 57.594 55.300 -0.046 0.000 1.096 366 M CB -1.921 30.647 32.600 -0.054 0.000 1.300 366 M HN 0.136 nan 8.290 nan 0.000 0.411 367 P HA -0.163 nan 4.420 nan 0.000 0.215 367 P C 1.377 178.649 177.300 -0.047 0.000 1.163 367 P CA 1.887 64.949 63.100 -0.063 0.000 0.894 367 P CB -0.430 31.245 31.700 -0.042 0.000 0.791 368 T N -0.239 114.300 114.554 -0.026 0.000 2.635 368 T HA -0.232 4.118 4.350 0.000 0.000 0.267 368 T C 1.936 176.624 174.700 -0.019 0.000 1.040 368 T CA 1.964 64.055 62.100 -0.015 0.000 1.156 368 T CB -1.258 67.608 68.868 -0.004 0.000 0.863 368 T HN 0.100 nan 8.240 nan 0.000 0.430 369 A N 1.603 124.409 122.820 -0.023 0.000 1.948 369 A HA 0.025 4.345 4.320 0.000 0.000 0.220 369 A C 2.624 180.186 177.584 -0.037 0.000 1.177 369 A CA 2.092 54.117 52.037 -0.021 0.000 0.636 369 A CB -1.580 17.409 19.000 -0.019 0.000 0.815 369 A HN 0.539 nan 8.150 nan 0.000 0.449 370 G N -0.946 107.811 108.800 -0.072 0.000 2.586 370 G HA2 -0.278 3.682 3.960 0.000 0.000 0.218 370 G HA3 -0.278 3.682 3.960 0.000 0.000 0.218 370 G C 1.615 176.483 174.900 -0.054 0.000 1.216 370 G CA 1.803 46.843 45.100 -0.101 0.000 0.786 370 G HN 0.415 nan 8.290 nan 0.000 0.583 371 T N 1.263 115.796 114.554 -0.035 0.000 2.665 371 T HA -0.115 4.235 4.350 0.000 0.000 0.268 371 T C 2.386 177.096 174.700 0.017 0.000 1.035 371 T CA 1.245 63.342 62.100 -0.006 0.000 1.151 371 T CB -0.234 68.633 68.868 -0.003 0.000 0.862 371 T HN 0.246 nan 8.240 nan 0.000 0.438 372 I N 0.769 121.347 120.570 0.014 0.000 2.208 372 I HA -0.204 3.966 4.170 0.000 0.000 0.245 372 I C 2.597 178.741 176.117 0.045 0.000 1.097 372 I CA 1.543 62.859 61.300 0.027 0.000 1.363 372 I CB -0.402 37.610 38.000 0.020 0.000 1.051 372 I HN 0.392 nan 8.210 nan 0.000 0.413 373 E N 0.555 120.780 120.200 0.043 0.000 2.106 373 E HA -0.181 4.169 4.350 0.000 0.000 0.192 373 E C 1.790 178.474 176.600 0.140 0.000 0.984 373 E CA 0.891 57.334 56.400 0.072 0.000 0.806 373 E CB -0.086 29.644 29.700 0.049 0.000 0.750 373 E HN 0.482 nan 8.360 nan 0.000 0.458 374 N N 0.910 119.686 118.700 0.126 0.000 2.331 374 N HA -0.131 4.609 4.740 0.000 0.000 0.180 374 N C 1.554 177.211 175.510 0.245 0.000 1.019 374 N CA 0.790 53.980 53.050 0.233 0.000 0.881 374 N CB -0.025 38.511 38.487 0.083 0.000 0.972 374 N HN 0.135 nan 8.380 nan 0.000 0.435 375 K N 0.971 121.450 120.400 0.133 0.000 2.167 375 K HA 0.097 4.417 4.320 0.000 0.000 0.203 375 K C 1.830 178.475 176.600 0.074 0.000 1.052 375 K CA 0.302 56.646 56.287 0.095 0.000 0.956 375 K CB 0.111 32.647 32.500 0.060 0.000 0.735 375 K HN 0.048 nan 8.250 nan 0.000 0.451 376 L N 0.917 122.184 121.223 0.074 0.000 2.141 376 L HA -0.139 4.201 4.340 0.000 0.000 0.209 376 L C 1.962 178.845 176.870 0.022 0.000 1.094 376 L CA 0.964 55.831 54.840 0.046 0.000 0.763 376 L CB -0.223 41.866 42.059 0.050 0.000 0.908 376 L HN 0.231 nan 8.230 nan 0.000 0.437 377 L N -0.532 120.720 121.223 0.049 0.000 2.591 377 L HA -0.010 4.330 4.340 0.000 0.000 0.228 377 L C 1.599 178.354 176.870 -0.192 0.000 1.133 377 L CA 0.263 55.053 54.840 -0.082 0.000 0.880 377 L CB -0.042 41.984 42.059 -0.056 0.000 1.033 377 L HN 0.239 nan 8.230 nan 0.000 0.450 378 K N -1.047 119.323 120.400 -0.050 0.000 3.547 378 K HA -0.231 4.090 4.320 0.000 0.000 0.309 378 K C -0.044 176.557 176.600 0.002 0.000 1.324 378 K CA 0.387 56.647 56.287 -0.043 0.000 0.988 378 K CB -1.551 30.893 32.500 -0.094 0.000 1.261 378 K HN 0.290 nan 8.250 nan 0.000 0.444 379 W N 0.000 121.296 121.300 -0.007 0.000 2.388 379 W HA 0.000 4.660 4.660 0.000 0.000 0.303 379 W CA 0.000 57.341 57.345 -0.006 0.000 1.226 379 W CB 0.000 29.458 29.460 -0.004 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535