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 2cb6_1_A DATA FIRST_RESID 37 DATA SEQUENCE DNTWIQAASL TWLXXXXXLL YQLISTRIPS FASPNGLHMR EQTIDSNTGQ DATA SEQUENCE IQIDNEHRLL RWDRRPPNDI FLNGFIPRVT NQNLSPVEDT HLLNYLRTNS DATA SEQUENCE PSIFVSTTRA RYNNLGLEIT PWTPHSANNN IIYRYEIFAP GGIDINASFS DATA SEQUENCE RNHNPFPNQD EITFPGGIRP EFIRSTYEYH NGEIVRIWIN PNFINPSTLN DATA SEQUENCE DVSGPSNISK VFWHENHSEG NNMDSXXXXX XXXXXQDFDM FAPNGEIPNN DATA SEQUENCE NLL 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 37 D HA 0.000 nan 4.640 nan 0.000 0.175 37 D C 0.000 176.401 176.300 0.168 0.000 2.045 37 D CA 0.000 54.046 54.000 0.077 0.000 0.868 37 D CB 0.000 40.832 40.800 0.054 0.000 0.688 38 N N -1.209 117.547 118.700 0.094 0.000 2.467 38 N HA 0.139 4.879 4.740 -0.000 0.000 0.278 38 N C 0.255 175.721 175.510 -0.072 0.000 1.306 38 N CA -0.307 52.744 53.050 0.001 0.000 0.905 38 N CB 0.431 38.841 38.487 -0.128 0.000 1.236 38 N HN 0.324 nan 8.380 nan 0.000 0.509 39 T N 0.265 114.858 114.554 0.066 0.000 2.867 39 T HA -0.082 4.268 4.350 -0.000 0.000 0.268 39 T C 1.389 176.133 174.700 0.074 0.000 1.057 39 T CA 1.167 63.297 62.100 0.050 0.000 1.136 39 T CB -0.273 68.641 68.868 0.076 0.000 0.874 39 T HN 0.652 nan 8.240 nan 0.000 0.466 40 W N 2.632 123.924 121.300 -0.013 0.000 2.389 40 W HA -0.028 4.632 4.660 -0.000 0.000 0.267 40 W C 0.719 177.246 176.519 0.012 0.000 1.219 40 W CA 0.636 57.976 57.345 -0.008 0.000 1.189 40 W CB -0.825 28.629 29.460 -0.011 0.000 1.129 40 W HN 0.389 nan 8.180 nan 0.000 0.581 41 I N -0.689 119.670 120.570 -0.352 0.000 3.597 41 I HA 0.237 4.407 4.170 -0.000 0.000 0.323 41 I C 1.688 177.659 176.117 -0.243 0.000 1.535 41 I CA -0.302 60.780 61.300 -0.363 0.000 1.028 41 I CB -0.271 37.284 38.000 -0.742 0.000 1.354 41 I HN -0.076 nan 8.210 nan 0.000 0.544 42 Q N 2.477 122.186 119.800 -0.153 0.000 2.500 42 Q HA 0.048 4.388 4.340 -0.000 0.000 0.213 42 Q C 1.717 177.659 176.000 -0.096 0.000 0.974 42 Q CA 1.488 57.226 55.803 -0.108 0.000 0.918 42 Q CB 0.260 28.966 28.738 -0.054 0.000 0.980 42 Q HN 0.711 nan 8.270 nan 0.000 0.505 43 A N -0.210 122.497 122.820 -0.187 0.000 2.430 43 A HA 0.557 4.877 4.320 -0.000 0.000 0.243 43 A C 0.676 178.190 177.584 -0.116 0.000 1.254 43 A CA 0.197 52.036 52.037 -0.330 0.000 0.914 43 A CB 0.059 18.577 19.000 -0.804 0.000 0.998 43 A HN 0.394 nan 8.150 nan 0.000 0.515 44 A N 0.328 123.083 122.820 -0.110 0.000 2.561 44 A HA 0.309 4.629 4.320 -0.000 0.000 0.251 44 A C 1.389 178.907 177.584 -0.110 0.000 1.062 44 A CA 0.727 52.685 52.037 -0.131 0.000 0.761 44 A CB 0.057 18.928 19.000 -0.214 0.000 0.986 44 A HN 0.550 nan 8.150 nan 0.000 0.510 45 S N 2.242 117.878 115.700 -0.107 0.000 2.489 45 S HA 0.054 4.524 4.470 -0.000 0.000 0.228 45 S C 0.663 175.167 174.600 -0.160 0.000 0.995 45 S CA 0.259 58.405 58.200 -0.090 0.000 0.934 45 S CB -0.523 62.640 63.200 -0.061 0.000 0.771 45 S HN 0.601 nan 8.310 nan 0.000 0.522 46 L N 2.960 124.008 121.223 -0.291 0.000 2.342 46 L HA 0.195 4.535 4.340 -0.000 0.000 0.285 46 L C 1.855 178.422 176.870 -0.505 0.000 1.095 46 L CA -0.236 54.278 54.840 -0.545 0.000 0.843 46 L CB 1.061 42.553 42.059 -0.944 0.000 1.201 46 L HN 0.369 nan 8.230 nan 0.000 0.445 47 T N -0.770 113.592 114.554 -0.320 0.000 2.708 47 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 47 T C 1.332 175.948 174.700 -0.140 0.000 1.037 47 T CA 0.661 62.671 62.100 -0.151 0.000 1.146 47 T CB -0.227 68.637 68.868 -0.006 0.000 0.865 47 T HN 0.767 nan 8.240 nan 0.000 0.435 48 W N 1.865 123.143 121.300 -0.036 0.000 3.316 48 W HA 0.487 5.147 4.660 -0.000 0.000 0.258 48 W C 0.289 176.778 176.519 -0.050 0.000 1.330 48 W CA -1.115 56.208 57.345 -0.037 0.000 1.595 48 W CB -1.122 28.319 29.460 -0.031 0.000 1.088 48 W HN 0.252 nan 8.180 nan 0.000 0.734 56 L N -0.089 121.278 121.223 0.240 0.000 2.240 56 L HA 0.069 4.409 4.340 -0.000 0.000 0.211 56 L C 2.279 179.372 176.870 0.371 0.000 1.106 56 L CA 2.162 57.161 54.840 0.265 0.000 0.793 56 L CB -0.708 41.491 42.059 0.233 0.000 0.927 56 L HN 0.523 nan 8.230 nan 0.000 0.446 57 Y N 0.537 121.047 120.300 0.350 0.000 2.089 57 Y HA -0.257 4.293 4.550 -0.000 0.000 0.282 57 Y C 2.520 178.440 175.900 0.033 0.000 1.139 57 Y CA 2.201 60.373 58.100 0.120 0.000 1.123 57 Y CB -0.439 37.992 38.460 -0.049 0.000 0.980 57 Y HN 0.309 nan 8.280 nan 0.000 0.493 58 Q N -0.501 119.333 119.800 0.056 0.000 2.297 58 Q HA -0.180 4.160 4.340 -0.000 0.000 0.208 58 Q C 2.093 178.062 176.000 -0.052 0.000 0.981 58 Q CA 1.289 57.066 55.803 -0.043 0.000 0.876 58 Q CB -0.307 28.485 28.738 0.089 0.000 0.921 58 Q HN 0.455 nan 8.270 nan 0.000 0.446 59 L N 0.547 121.779 121.223 0.016 0.000 2.056 59 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 59 L C 1.814 178.704 176.870 0.034 0.000 1.078 59 L CA 1.556 56.420 54.840 0.041 0.000 0.749 59 L CB -0.405 41.704 42.059 0.083 0.000 0.901 59 L HN 0.140 nan 8.230 nan 0.000 0.433 60 I N -1.630 118.945 120.570 0.009 0.000 2.185 60 I HA -0.220 3.950 4.170 -0.000 0.000 0.235 60 I C 2.567 178.635 176.117 -0.080 0.000 1.069 60 I CA 1.215 62.544 61.300 0.048 0.000 1.354 60 I CB -0.612 37.439 38.000 0.085 0.000 1.093 60 I HN 0.246 nan 8.210 nan 0.000 0.411 61 S N 0.370 115.863 115.700 -0.344 0.000 2.400 61 S HA -0.271 4.199 4.470 -0.000 0.000 0.234 61 S C 1.884 176.355 174.600 -0.215 0.000 1.049 61 S CA 2.471 60.404 58.200 -0.445 0.000 1.039 61 S CB -0.622 61.929 63.200 -1.081 0.000 0.856 61 S HN 0.639 nan 8.310 nan 0.000 0.465 62 T N -2.210 112.265 114.554 -0.131 0.000 3.122 62 T HA 0.325 4.675 4.350 -0.000 0.000 0.250 62 T C 1.263 175.967 174.700 0.006 0.000 1.067 62 T CA -0.290 61.781 62.100 -0.049 0.000 0.966 62 T CB -0.171 68.680 68.868 -0.028 0.000 1.002 62 T HN 0.351 nan 8.240 nan 0.000 0.542 63 R N 0.352 120.877 120.500 0.041 0.000 2.334 63 R HA 0.409 4.749 4.340 -0.000 0.000 0.216 63 R C -0.074 176.314 176.300 0.145 0.000 0.905 63 R CA -0.038 56.123 56.100 0.102 0.000 1.064 63 R CB 0.107 30.511 30.300 0.174 0.000 1.046 63 R HN 0.472 nan 8.270 nan 0.000 0.508 64 I N 2.345 122.971 120.570 0.093 0.000 2.331 64 I HA 0.253 4.423 4.170 -0.000 0.000 0.292 64 I C -2.020 174.158 176.117 0.101 0.000 0.998 64 I CA -2.313 59.054 61.300 0.111 0.000 1.267 64 I CB 1.168 39.226 38.000 0.096 0.000 1.386 64 I HN -0.275 nan 8.210 nan 0.000 0.476 65 P HA 0.104 nan 4.420 nan 0.000 0.272 65 P C 0.594 177.983 177.300 0.148 0.000 1.230 65 P CA -0.329 62.855 63.100 0.140 0.000 0.788 65 P CB 0.823 32.630 31.700 0.179 0.000 0.949 66 S N 0.414 116.197 115.700 0.138 0.000 2.436 66 S HA -0.132 4.337 4.470 -0.000 0.000 0.228 66 S C 1.792 176.492 174.600 0.166 0.000 1.014 66 S CA 0.275 58.543 58.200 0.113 0.000 0.950 66 S CB -1.169 62.084 63.200 0.089 0.000 0.784 66 S HN 0.389 nan 8.310 nan 0.000 0.504 67 F N 3.217 123.215 119.950 0.079 0.000 2.065 67 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 67 F C 2.519 178.426 175.800 0.179 0.000 1.112 67 F CA 1.300 59.377 58.000 0.130 0.000 1.212 67 F CB -0.930 38.114 39.000 0.074 0.000 0.975 67 F HN 0.295 nan 8.300 nan 0.000 0.476 68 A N -1.423 121.566 122.820 0.281 0.000 1.840 68 A HA -0.035 4.285 4.320 -0.000 0.000 0.214 68 A C 1.583 179.340 177.584 0.289 0.000 1.198 68 A CA 1.390 53.548 52.037 0.202 0.000 0.608 68 A CB -1.014 18.112 19.000 0.210 0.000 0.839 68 A HN 0.298 nan 8.150 nan 0.000 0.443 69 S N 0.055 115.881 115.700 0.210 0.000 2.150 69 S HA 0.391 4.861 4.470 -0.000 0.000 0.171 69 S C -1.581 172.991 174.600 -0.046 0.000 1.620 69 S CA -1.575 56.612 58.200 -0.021 0.000 1.190 69 S CB 0.783 63.849 63.200 -0.224 0.000 1.102 69 S HN 0.262 nan 8.310 nan 0.000 0.464 70 P HA -0.176 nan 4.420 nan 0.000 0.202 70 P C 1.066 178.352 177.300 -0.024 0.000 1.149 70 P CA 1.428 64.513 63.100 -0.024 0.000 0.931 70 P CB -0.113 31.557 31.700 -0.049 0.000 0.762 71 N N 0.498 119.188 118.700 -0.015 0.000 2.091 71 N HA -0.103 4.637 4.740 -0.000 0.000 0.193 71 N C 1.514 177.048 175.510 0.040 0.000 1.021 71 N CA 1.954 55.040 53.050 0.060 0.000 0.862 71 N CB -0.636 37.932 38.487 0.135 0.000 1.018 71 N HN 0.468 nan 8.380 nan 0.000 0.429 72 G N -0.244 108.538 108.800 -0.031 0.000 2.331 72 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.402 72 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.402 72 G C -1.344 173.389 174.900 -0.279 0.000 1.275 72 G CA -0.828 44.163 45.100 -0.181 0.000 1.003 72 G HN 0.088 nan 8.290 nan 0.000 0.500 73 L N 2.022 123.042 121.223 -0.337 0.000 2.433 73 L HA 0.328 4.667 4.340 -0.000 0.000 0.275 73 L C 0.398 177.050 176.870 -0.362 0.000 1.128 73 L CA -0.196 54.450 54.840 -0.325 0.000 0.875 73 L CB 0.121 42.019 42.059 -0.270 0.000 1.171 73 L HN 0.494 nan 8.230 nan 0.000 0.463 74 H N 4.363 123.308 119.070 -0.208 0.000 2.621 74 H HA 0.549 5.105 4.556 -0.000 0.000 0.360 74 H C -0.318 174.925 175.328 -0.142 0.000 1.163 74 H CA -0.854 55.099 56.048 -0.159 0.000 1.194 74 H CB 2.457 32.127 29.762 -0.152 0.000 1.649 74 H HN 0.416 nan 8.280 nan 0.000 0.532 75 M N 0.715 120.311 119.600 -0.008 0.000 2.821 75 M HA 0.375 4.855 4.480 -0.000 0.000 0.304 75 M C 0.219 176.523 176.300 0.007 0.000 1.233 75 M CA -0.934 54.349 55.300 -0.028 0.000 0.851 75 M CB 1.432 33.996 32.600 -0.061 0.000 1.723 75 M HN 0.380 nan 8.290 nan 0.000 0.493 76 R N 1.125 121.634 120.500 0.014 0.000 2.248 76 R HA 0.248 4.588 4.340 -0.000 0.000 0.328 76 R C -0.672 175.671 176.300 0.073 0.000 1.067 76 R CA -0.006 56.126 56.100 0.053 0.000 0.924 76 R CB 0.483 30.821 30.300 0.063 0.000 1.013 76 R HN 0.535 nan 8.270 nan 0.000 0.454 77 E N 2.532 122.783 120.200 0.085 0.000 2.216 77 E HA 0.092 4.442 4.350 -0.000 0.000 0.279 77 E C -0.315 176.348 176.600 0.104 0.000 0.997 77 E CA -0.507 55.937 56.400 0.073 0.000 0.817 77 E CB 1.403 31.136 29.700 0.056 0.000 1.096 77 E HN 0.424 nan 8.360 nan 0.000 0.393 78 Q N 0.326 120.141 119.800 0.025 0.000 2.501 78 Q HA -0.185 4.155 4.340 -0.000 0.000 0.275 78 Q C 0.778 176.572 176.000 -0.343 0.000 1.074 78 Q CA 0.851 56.616 55.803 -0.062 0.000 0.974 78 Q CB -1.976 26.793 28.738 0.051 0.000 1.307 78 Q HN 0.861 nan 8.270 nan 0.000 0.513 79 T N -2.635 111.800 114.554 -0.199 0.000 3.055 79 T HA 0.244 4.594 4.350 -0.000 0.000 0.265 79 T C 0.795 175.424 174.700 -0.119 0.000 1.111 79 T CA 0.579 62.559 62.100 -0.200 0.000 1.118 79 T CB 0.329 69.202 68.868 0.008 0.000 0.909 79 T HN 0.325 nan 8.240 nan 0.000 0.501 80 I N 1.327 121.848 120.570 -0.081 0.000 2.533 80 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 80 I C -0.654 175.443 176.117 -0.032 0.000 1.056 80 I CA -1.060 60.223 61.300 -0.029 0.000 1.057 80 I CB 2.213 40.215 38.000 0.004 0.000 1.240 80 I HN 0.028 nan 8.210 nan 0.000 0.423 81 D N 3.867 124.253 120.400 -0.022 0.000 2.570 81 D HA -0.095 4.545 4.640 -0.000 0.000 0.243 81 D C 1.274 177.570 176.300 -0.007 0.000 1.171 81 D CA 0.565 54.556 54.000 -0.014 0.000 0.879 81 D CB 1.003 41.798 40.800 -0.009 0.000 1.143 81 D HN 0.636 nan 8.370 nan 0.000 0.511 82 S N 3.954 119.651 115.700 -0.004 0.000 2.440 82 S HA -0.175 4.295 4.470 -0.000 0.000 0.238 82 S C 1.366 175.967 174.600 0.001 0.000 1.010 82 S CA 1.077 59.277 58.200 0.000 0.000 0.972 82 S CB 0.118 63.321 63.200 0.004 0.000 0.774 82 S HN 0.479 nan 8.310 nan 0.000 0.501 83 N N 0.903 119.603 118.700 -0.000 0.000 2.124 83 N HA -0.003 4.737 4.740 -0.000 0.000 0.189 83 N C 1.734 177.243 175.510 -0.002 0.000 1.050 83 N CA 2.020 55.070 53.050 -0.000 0.000 0.848 83 N CB -1.165 37.322 38.487 -0.000 0.000 1.027 83 N HN 0.430 nan 8.380 nan 0.000 0.435 84 T N -0.459 114.093 114.554 -0.004 0.000 3.043 84 T HA 0.169 4.519 4.350 -0.000 0.000 0.263 84 T C 1.112 175.809 174.700 -0.005 0.000 1.094 84 T CA 0.771 62.867 62.100 -0.006 0.000 1.127 84 T CB -0.072 68.791 68.868 -0.009 0.000 0.905 84 T HN 0.525 nan 8.240 nan 0.000 0.490 85 G N 2.642 111.441 108.800 -0.002 0.000 2.182 85 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.248 85 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.248 85 G C -0.204 174.698 174.900 0.003 0.000 1.042 85 G CA 0.194 45.296 45.100 0.002 0.000 0.775 85 G HN 0.722 nan 8.290 nan 0.000 0.501 86 Q N -0.415 119.384 119.800 -0.001 0.000 2.301 86 Q HA 0.775 5.115 4.340 -0.000 0.000 0.267 86 Q C 0.389 176.394 176.000 0.008 0.000 1.035 86 Q CA -1.468 54.332 55.803 -0.005 0.000 0.856 86 Q CB 1.753 30.480 28.738 -0.019 0.000 1.337 86 Q HN 0.142 nan 8.270 nan 0.000 0.450 87 I N 2.531 123.113 120.570 0.021 0.000 2.671 87 I HA -0.061 4.109 4.170 -0.000 0.000 0.285 87 I C 0.280 176.420 176.117 0.039 0.000 1.148 87 I CA 0.291 61.630 61.300 0.064 0.000 1.386 87 I CB -0.197 37.880 38.000 0.129 0.000 1.406 87 I HN 0.826 nan 8.210 nan 0.000 0.540 88 Q N 7.276 127.090 119.800 0.022 0.000 2.244 88 Q HA 0.141 4.481 4.340 -0.000 0.000 0.278 88 Q C -0.508 175.548 176.000 0.093 0.000 1.093 88 Q CA 0.719 56.524 55.803 0.003 0.000 0.916 88 Q CB 0.237 28.890 28.738 -0.140 0.000 1.159 88 Q HN 0.539 nan 8.270 nan 0.000 0.384 89 I N 5.182 125.758 120.570 0.010 0.000 2.620 89 I HA 0.260 4.430 4.170 -0.000 0.000 0.280 89 I C -0.760 175.321 176.117 -0.060 0.000 1.143 89 I CA -0.632 60.554 61.300 -0.190 0.000 1.163 89 I CB 0.021 37.776 38.000 -0.408 0.000 1.461 89 I HN 0.679 nan 8.210 nan 0.000 0.530 90 D N 1.228 121.760 120.400 0.220 0.000 2.727 90 D HA 0.278 4.918 4.640 -0.000 0.000 0.264 90 D C 0.460 176.942 176.300 0.303 0.000 1.101 90 D CA -0.683 53.439 54.000 0.204 0.000 1.122 90 D CB 0.484 41.384 40.800 0.167 0.000 1.390 90 D HN -0.147 nan 8.370 nan 0.000 0.606 91 N N -0.558 118.194 118.700 0.087 0.000 2.216 91 N HA -0.061 4.679 4.740 -0.000 0.000 0.183 91 N C 1.133 176.668 175.510 0.042 0.000 1.017 91 N CA 0.854 53.873 53.050 -0.052 0.000 0.861 91 N CB -0.186 37.943 38.487 -0.597 0.000 0.986 91 N HN 0.436 nan 8.380 nan 0.000 0.428 92 E N -0.087 120.104 120.200 -0.016 0.000 2.118 92 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 92 E C 0.725 177.169 176.600 -0.261 0.000 0.992 92 E CA 1.287 57.591 56.400 -0.160 0.000 0.804 92 E CB -0.283 29.235 29.700 -0.302 0.000 0.741 92 E HN 0.610 nan 8.360 nan 0.000 0.458 93 H N -1.254 117.923 119.070 0.177 0.000 2.520 93 H HA 0.262 4.818 4.556 -0.000 0.000 0.284 93 H C 0.074 175.495 175.328 0.154 0.000 1.037 93 H CA -0.324 55.839 56.048 0.191 0.000 1.168 93 H CB 0.248 30.147 29.762 0.228 0.000 1.497 93 H HN -0.140 nan 8.280 nan 0.000 0.547 94 R N 1.498 122.105 120.500 0.178 0.000 2.389 94 R HA 0.338 4.678 4.340 -0.000 0.000 0.295 94 R C -1.009 175.208 176.300 -0.139 0.000 1.075 94 R CA -0.089 55.906 56.100 -0.175 0.000 1.005 94 R CB 0.330 30.661 30.300 0.050 0.000 0.987 94 R HN 0.200 nan 8.270 nan 0.000 0.452 95 L N 5.182 126.233 121.223 -0.286 0.000 2.333 95 L HA 0.603 4.943 4.340 -0.000 0.000 0.263 95 L C -0.936 175.838 176.870 -0.160 0.000 1.014 95 L CA -1.104 53.663 54.840 -0.121 0.000 0.820 95 L CB 2.030 44.082 42.059 -0.011 0.000 1.352 95 L HN 0.521 nan 8.230 nan 0.000 0.421 96 L N 1.303 122.462 121.223 -0.108 0.000 2.393 96 L HA 0.698 5.038 4.340 -0.000 0.000 0.260 96 L C -0.788 176.001 176.870 -0.135 0.000 1.002 96 L CA -0.672 54.071 54.840 -0.162 0.000 0.818 96 L CB 2.458 44.365 42.059 -0.253 0.000 1.369 96 L HN 0.517 nan 8.230 nan 0.000 0.412 97 R N 0.846 121.253 120.500 -0.155 0.000 2.515 97 R HA 0.386 4.726 4.340 -0.000 0.000 0.291 97 R C -2.132 174.167 176.300 -0.002 0.000 1.046 97 R CA -0.439 55.592 56.100 -0.115 0.000 0.914 97 R CB 1.217 31.300 30.300 -0.362 0.000 1.191 97 R HN 0.544 nan 8.270 nan 0.000 0.435 98 W N 4.022 125.418 121.300 0.160 0.000 2.335 98 W HA 0.319 4.979 4.660 -0.000 0.000 0.306 98 W C 0.068 176.734 176.519 0.245 0.000 1.216 98 W CA 0.095 57.579 57.345 0.232 0.000 1.237 98 W CB 1.005 30.598 29.460 0.222 0.000 1.243 98 W HN 0.347 nan 8.180 nan 0.000 0.493 99 D N 1.609 122.349 120.400 0.567 0.000 2.756 99 D HA 0.289 4.929 4.640 -0.000 0.000 0.226 99 D C 0.449 177.074 176.300 0.543 0.000 1.186 99 D CA -0.633 53.657 54.000 0.482 0.000 0.845 99 D CB 1.860 42.927 40.800 0.444 0.000 1.610 99 D HN 0.371 nan 8.370 nan 0.000 0.465 100 R N 1.246 121.990 120.500 0.408 0.000 2.334 100 R HA 0.197 4.537 4.340 -0.000 0.000 0.216 100 R C 0.343 176.872 176.300 0.382 0.000 0.905 100 R CA -0.087 56.248 56.100 0.390 0.000 1.064 100 R CB 0.737 31.184 30.300 0.246 0.000 1.046 100 R HN 0.059 nan 8.270 nan 0.000 0.508 101 R N 2.043 122.717 120.500 0.289 0.000 2.357 101 R HA 0.224 4.564 4.340 -0.000 0.000 0.296 101 R C -2.308 173.879 176.300 -0.188 0.000 1.052 101 R CA -1.867 54.283 56.100 0.085 0.000 0.988 101 R CB 0.637 30.948 30.300 0.018 0.000 1.025 101 R HN -0.065 nan 8.270 nan 0.000 0.469 102 P HA 0.093 nan 4.420 nan 0.000 0.274 102 P C -2.131 174.684 177.300 -0.809 0.000 1.246 102 P CA -1.612 60.990 63.100 -0.829 0.000 0.795 102 P CB 0.520 32.020 31.700 -0.334 0.000 1.006 103 P HA -0.189 nan 4.420 nan 0.000 0.218 103 P C 1.073 177.756 177.300 -1.028 0.000 1.148 103 P CA 1.448 63.699 63.100 -1.416 0.000 0.822 103 P CB -0.249 30.213 31.700 -2.063 0.000 0.784 104 N N -0.264 118.165 118.700 -0.451 0.000 2.258 104 N HA -0.163 4.577 4.740 -0.000 0.000 0.187 104 N C 1.532 177.020 175.510 -0.035 0.000 1.012 104 N CA 1.369 54.480 53.050 0.102 0.000 0.870 104 N CB -0.705 37.849 38.487 0.112 0.000 0.977 104 N HN 0.228 nan 8.380 nan 0.000 0.434 105 D N -0.328 119.929 120.400 -0.239 0.000 2.355 105 D HA 0.029 4.669 4.640 -0.000 0.000 0.233 105 D C 1.910 178.006 176.300 -0.340 0.000 0.997 105 D CA 0.231 54.106 54.000 -0.208 0.000 0.920 105 D CB -0.006 40.681 40.800 -0.187 0.000 1.063 105 D HN -0.112 nan 8.370 nan 0.000 0.465 106 I N 1.043 121.296 120.570 -0.529 0.000 2.127 106 I HA -0.228 3.942 4.170 -0.000 0.000 0.241 106 I C 2.301 178.076 176.117 -0.570 0.000 1.075 106 I CA 0.951 61.818 61.300 -0.721 0.000 1.334 106 I CB -1.467 35.873 38.000 -1.101 0.000 1.040 106 I HN 0.062 nan 8.210 nan 0.000 0.405 107 F N 0.211 119.633 119.950 -0.879 0.000 2.451 107 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 107 F C 2.194 177.542 175.800 -0.754 0.000 1.101 107 F CA 0.548 57.933 58.000 -1.026 0.000 1.436 107 F CB -0.944 36.910 39.000 -1.911 0.000 1.074 107 F HN 0.078 nan 8.300 nan 0.000 0.553 108 L N 0.247 121.266 121.223 -0.339 0.000 2.185 108 L HA 0.076 4.416 4.340 -0.000 0.000 0.198 108 L C 1.817 178.651 176.870 -0.060 0.000 1.079 108 L CA 1.731 56.565 54.840 -0.010 0.000 0.780 108 L CB -0.877 41.261 42.059 0.130 0.000 0.955 108 L HN -0.104 nan 8.230 nan 0.000 0.462 109 N N 0.058 118.681 118.700 -0.129 0.000 2.392 109 N HA 0.183 4.923 4.740 -0.000 0.000 0.177 109 N C 1.024 176.428 175.510 -0.177 0.000 1.066 109 N CA 0.867 53.846 53.050 -0.118 0.000 0.895 109 N CB 0.391 38.820 38.487 -0.097 0.000 0.988 109 N HN 0.476 nan 8.380 nan 0.000 0.457 110 G N 1.264 109.879 108.800 -0.309 0.000 2.593 110 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.237 110 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.237 110 G C -1.049 173.536 174.900 -0.525 0.000 1.312 110 G CA -0.602 44.247 45.100 -0.418 0.000 0.896 110 G HN 0.141 nan 8.290 nan 0.000 0.574 111 F N 0.642 120.507 119.950 -0.143 0.000 2.334 111 F HA 0.630 5.157 4.527 -0.000 0.000 0.367 111 F C 0.943 176.685 175.800 -0.097 0.000 1.115 111 F CA -0.616 57.300 58.000 -0.140 0.000 1.116 111 F CB 1.028 39.938 39.000 -0.150 0.000 1.230 111 F HN 0.367 nan 8.300 nan 0.000 0.484 112 I N 5.654 126.272 120.570 0.080 0.000 2.336 112 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 112 I C -2.081 174.063 176.117 0.045 0.000 0.991 112 I CA -2.171 59.147 61.300 0.031 0.000 1.227 112 I CB 1.207 39.212 38.000 0.009 0.000 1.366 112 I HN 0.318 nan 8.210 nan 0.000 0.466 113 P HA 0.085 nan 4.420 nan 0.000 0.270 113 P C 0.305 177.622 177.300 0.029 0.000 1.221 113 P CA -0.148 62.951 63.100 -0.001 0.000 0.788 113 P CB 0.567 32.221 31.700 -0.076 0.000 0.904 114 R N 0.149 120.672 120.500 0.039 0.000 2.148 114 R HA 0.014 4.354 4.340 -0.000 0.000 0.227 114 R C 0.082 176.414 176.300 0.053 0.000 1.103 114 R CA 0.697 56.831 56.100 0.056 0.000 0.983 114 R CB -0.218 30.127 30.300 0.074 0.000 0.874 114 R HN 0.263 nan 8.270 nan 0.000 0.451 115 V N 1.060 120.999 119.914 0.042 0.000 2.304 115 V HA 0.035 4.155 4.120 -0.000 0.000 0.269 115 V C 0.854 177.028 176.094 0.133 0.000 1.036 115 V CA 0.193 62.535 62.300 0.070 0.000 0.840 115 V CB 1.245 33.097 31.823 0.048 0.000 1.036 115 V HN 0.159 nan 8.190 nan 0.000 0.466 116 T N 3.028 117.676 114.554 0.157 0.000 3.023 116 T HA 0.083 4.433 4.350 -0.000 0.000 0.253 116 T C 0.786 175.703 174.700 0.361 0.000 1.038 116 T CA -0.042 62.201 62.100 0.238 0.000 0.962 116 T CB -0.195 68.757 68.868 0.140 0.000 1.018 116 T HN 0.710 nan 8.240 nan 0.000 0.521 117 N N 0.456 119.256 118.700 0.166 0.000 2.489 117 N HA 0.223 4.963 4.740 -0.000 0.000 0.284 117 N C 0.762 175.850 175.510 -0.703 0.000 1.158 117 N CA -0.570 52.406 53.050 -0.123 0.000 0.965 117 N CB 0.791 39.200 38.487 -0.131 0.000 1.195 117 N HN 0.082 nan 8.380 nan 0.000 0.506 118 Q N 0.182 119.256 119.800 -1.211 0.000 2.230 118 Q HA 0.024 4.364 4.340 -0.000 0.000 0.202 118 Q C 0.020 175.548 176.000 -0.786 0.000 0.963 118 Q CA 0.971 55.765 55.803 -1.682 0.000 0.866 118 Q CB -0.236 27.843 28.738 -1.097 0.000 0.931 118 Q HN 0.691 nan 8.270 nan 0.000 0.452 119 N N 1.338 119.761 118.700 -0.462 0.000 2.441 119 N HA 0.026 4.766 4.740 -0.000 0.000 0.225 119 N C -0.643 174.764 175.510 -0.171 0.000 1.208 119 N CA -0.456 52.445 53.050 -0.249 0.000 0.847 119 N CB -0.006 38.374 38.487 -0.178 0.000 1.121 119 N HN 0.078 nan 8.380 nan 0.000 0.479 120 L N -1.446 119.664 121.223 -0.188 0.000 2.473 120 L HA 0.225 4.565 4.340 -0.000 0.000 0.268 120 L C 0.308 177.155 176.870 -0.038 0.000 1.215 120 L CA -0.527 54.269 54.840 -0.073 0.000 0.823 120 L CB 0.004 42.063 42.059 0.000 0.000 1.099 120 L HN -0.109 nan 8.230 nan 0.000 0.483 121 S N 1.658 117.352 115.700 -0.010 0.000 3.036 121 S HA 0.272 4.742 4.470 -0.000 0.000 0.301 121 S C -1.731 172.880 174.600 0.018 0.000 1.205 121 S CA -0.758 57.443 58.200 0.000 0.000 0.999 121 S CB 0.074 63.278 63.200 0.006 0.000 1.337 121 S HN 0.646 nan 8.310 nan 0.000 0.515 122 P HA -0.154 nan 4.420 nan 0.000 0.218 122 P C 1.337 178.664 177.300 0.046 0.000 1.146 122 P CA 0.652 63.777 63.100 0.042 0.000 0.820 122 P CB -0.066 31.660 31.700 0.043 0.000 0.778 123 V N 0.162 120.095 119.914 0.032 0.000 2.244 123 V HA -0.214 3.906 4.120 -0.000 0.000 0.244 123 V C 2.120 178.239 176.094 0.042 0.000 1.042 123 V CA 2.091 64.407 62.300 0.027 0.000 1.006 123 V CB -1.306 30.518 31.823 0.002 0.000 0.641 123 V HN 0.081 nan 8.190 nan 0.000 0.446 124 E N 0.028 120.255 120.200 0.045 0.000 2.435 124 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 124 E C 1.325 178.002 176.600 0.128 0.000 1.029 124 E CA 0.593 57.040 56.400 0.079 0.000 0.865 124 E CB -0.154 29.582 29.700 0.060 0.000 0.833 124 E HN 0.595 nan 8.360 nan 0.000 0.510 125 D N -0.993 119.461 120.400 0.090 0.000 2.349 125 D HA -0.007 4.633 4.640 -0.000 0.000 0.214 125 D C 0.941 177.246 176.300 0.009 0.000 1.063 125 D CA 0.749 54.785 54.000 0.059 0.000 0.847 125 D CB 0.422 41.238 40.800 0.027 0.000 0.933 125 D HN 0.219 nan 8.370 nan 0.000 0.513 126 T N -3.242 111.375 114.554 0.105 0.000 3.200 126 T HA 0.031 4.381 4.350 -0.000 0.000 0.284 126 T C 0.311 175.275 174.700 0.441 0.000 1.009 126 T CA -0.462 61.724 62.100 0.143 0.000 0.907 126 T CB -0.559 68.370 68.868 0.102 0.000 1.120 126 T HN 0.139 nan 8.240 nan 0.000 0.534 127 H N 1.752 120.995 119.070 0.289 0.000 3.067 127 H HA 0.251 4.807 4.556 -0.000 0.000 0.265 127 H C 0.988 176.491 175.328 0.292 0.000 1.234 127 H CA -0.735 55.455 56.048 0.237 0.000 1.452 127 H CB 0.697 30.553 29.762 0.155 0.000 1.527 127 H HN 0.136 nan 8.280 nan 0.000 0.486 128 L N 5.144 126.405 121.223 0.063 0.000 1.961 128 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 128 L C 2.005 178.721 176.870 -0.257 0.000 1.072 128 L CA 1.570 56.253 54.840 -0.263 0.000 0.749 128 L CB -0.709 41.177 42.059 -0.288 0.000 0.889 128 L HN 0.673 nan 8.230 nan 0.000 0.432 129 L N -0.058 120.942 121.223 -0.373 0.000 2.051 129 L HA -0.307 4.033 4.340 -0.000 0.000 0.214 129 L C 2.514 179.188 176.870 -0.327 0.000 1.076 129 L CA 1.990 56.598 54.840 -0.387 0.000 0.758 129 L CB -0.849 41.014 42.059 -0.326 0.000 0.890 129 L HN 0.511 nan 8.230 nan 0.000 0.433 130 N N -0.997 117.422 118.700 -0.468 0.000 2.244 130 N HA -0.249 4.491 4.740 -0.000 0.000 0.183 130 N C 2.008 177.533 175.510 0.024 0.000 1.016 130 N CA 1.174 54.181 53.050 -0.072 0.000 0.866 130 N CB 0.070 38.727 38.487 0.283 0.000 0.980 130 N HN 0.375 nan 8.380 nan 0.000 0.430 131 Y N 1.645 121.896 120.300 -0.081 0.000 2.184 131 Y HA -0.020 4.530 4.550 -0.000 0.000 0.290 131 Y C 2.156 178.003 175.900 -0.090 0.000 1.129 131 Y CA 1.205 59.279 58.100 -0.043 0.000 1.144 131 Y CB -0.536 37.945 38.460 0.035 0.000 0.995 131 Y HN -0.029 nan 8.280 nan 0.000 0.513 132 L N -0.002 121.062 121.223 -0.265 0.000 2.201 132 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 132 L C 2.513 179.336 176.870 -0.079 0.000 1.105 132 L CA 1.576 56.233 54.840 -0.305 0.000 0.775 132 L CB -0.402 41.476 42.059 -0.302 0.000 0.913 132 L HN 0.146 nan 8.230 nan 0.000 0.440 133 R N -0.038 120.437 120.500 -0.042 0.000 2.112 133 R HA -0.068 4.272 4.340 -0.000 0.000 0.216 133 R C 2.123 178.560 176.300 0.229 0.000 1.080 133 R CA 1.690 57.849 56.100 0.097 0.000 0.996 133 R CB -0.077 30.255 30.300 0.053 0.000 0.902 133 R HN 0.343 nan 8.270 nan 0.000 0.449 134 T N -3.806 110.771 114.554 0.038 0.000 2.975 134 T HA 0.175 4.525 4.350 -0.000 0.000 0.257 134 T C 0.327 174.730 174.700 -0.495 0.000 1.003 134 T CA 0.333 62.405 62.100 -0.048 0.000 0.932 134 T CB 0.051 68.919 68.868 0.001 0.000 1.087 134 T HN 0.316 nan 8.240 nan 0.000 0.512 135 N N 1.477 119.750 118.700 -0.712 0.000 2.776 135 N HA -0.174 4.566 4.740 -0.000 0.000 0.250 135 N C -0.101 175.240 175.510 -0.281 0.000 1.112 135 N CA 0.769 53.311 53.050 -0.847 0.000 0.733 135 N CB -1.768 35.779 38.487 -1.566 0.000 1.097 135 N HN 0.874 nan 8.380 nan 0.000 0.558 136 S N -1.022 114.627 115.700 -0.085 0.000 2.579 136 S HA 0.466 4.936 4.470 -0.000 0.000 0.275 136 S C -2.256 172.432 174.600 0.147 0.000 1.345 136 S CA -1.014 57.212 58.200 0.044 0.000 1.031 136 S CB 0.980 64.232 63.200 0.087 0.000 0.892 136 S HN 0.125 nan 8.310 nan 0.000 0.529 137 P HA 0.174 nan 4.420 nan 0.000 0.264 137 P C -0.172 177.204 177.300 0.127 0.000 1.183 137 P CA 0.148 63.319 63.100 0.119 0.000 0.763 137 P CB 0.632 32.379 31.700 0.078 0.000 0.807 138 S N 2.042 117.792 115.700 0.084 0.000 2.843 138 S HA 0.452 4.922 4.470 -0.000 0.000 0.301 138 S C 0.608 175.096 174.600 -0.186 0.000 1.206 138 S CA -0.695 57.487 58.200 -0.030 0.000 0.875 138 S CB 0.349 63.574 63.200 0.042 0.000 1.248 138 S HN 0.343 nan 8.310 nan 0.000 0.555 139 I N -1.403 118.883 120.570 -0.473 0.000 3.883 139 I HA 0.494 4.664 4.170 -0.000 0.000 0.326 139 I C -0.854 174.917 176.117 -0.576 0.000 1.283 139 I CA -0.409 60.603 61.300 -0.481 0.000 1.161 139 I CB -0.321 37.357 38.000 -0.536 0.000 1.012 139 I HN 0.248 nan 8.210 nan 0.000 0.421 140 F N 1.442 121.193 119.950 -0.333 0.000 2.379 140 F HA 0.596 5.123 4.527 -0.000 0.000 0.332 140 F C 0.217 175.832 175.800 -0.308 0.000 1.096 140 F CA -0.890 56.857 58.000 -0.422 0.000 1.105 140 F CB 1.296 39.773 39.000 -0.873 0.000 1.189 140 F HN -0.325 nan 8.300 nan 0.000 0.515 141 V N 1.887 121.864 119.914 0.105 0.000 2.577 141 V HA 0.371 4.491 4.120 -0.000 0.000 0.303 141 V C -0.458 175.746 176.094 0.185 0.000 1.042 141 V CA -0.741 61.628 62.300 0.114 0.000 0.872 141 V CB 1.859 33.729 31.823 0.078 0.000 0.998 141 V HN 0.818 nan 8.190 nan 0.000 0.423 142 S N 3.067 118.861 115.700 0.157 0.000 2.585 142 S HA 0.832 5.302 4.470 -0.000 0.000 0.277 142 S C 0.126 174.736 174.600 0.016 0.000 1.241 142 S CA -0.464 57.809 58.200 0.122 0.000 1.041 142 S CB 1.675 64.938 63.200 0.105 0.000 0.987 142 S HN 1.014 nan 8.310 nan 0.000 0.512 143 T N -1.092 113.487 114.554 0.041 0.000 2.843 143 T HA 0.686 5.036 4.350 -0.000 0.000 0.302 143 T C -0.761 173.929 174.700 -0.017 0.000 1.232 143 T CA -0.744 61.364 62.100 0.013 0.000 1.009 143 T CB 1.788 70.731 68.868 0.124 0.000 1.254 143 T HN 0.430 nan 8.240 nan 0.000 0.504 144 T N 0.434 114.982 114.554 -0.011 0.000 2.861 144 T HA 0.524 4.874 4.350 -0.000 0.000 0.287 144 T C -0.220 174.494 174.700 0.023 0.000 1.003 144 T CA -0.755 61.339 62.100 -0.011 0.000 0.977 144 T CB 0.995 69.884 68.868 0.035 0.000 0.996 144 T HN 0.707 nan 8.240 nan 0.000 0.448 145 R N 1.847 122.361 120.500 0.024 0.000 2.698 145 R HA 0.413 4.753 4.340 -0.000 0.000 0.266 145 R C 0.333 176.650 176.300 0.028 0.000 1.026 145 R CA -0.181 55.938 56.100 0.032 0.000 1.102 145 R CB 0.317 30.638 30.300 0.035 0.000 0.978 145 R HN 0.693 nan 8.270 nan 0.000 0.436 146 A N 3.463 126.292 122.820 0.015 0.000 2.354 146 A HA 0.290 4.610 4.320 -0.000 0.000 0.269 146 A C -0.120 177.384 177.584 -0.133 0.000 1.109 146 A CA -0.424 51.574 52.037 -0.065 0.000 0.800 146 A CB 0.542 19.525 19.000 -0.028 0.000 1.045 146 A HN 0.673 nan 8.150 nan 0.000 0.489 147 R N 0.651 120.974 120.500 -0.294 0.000 2.407 147 R HA 0.576 4.916 4.340 -0.000 0.000 0.303 147 R C -1.685 174.283 176.300 -0.553 0.000 0.981 147 R CA -0.177 55.770 56.100 -0.254 0.000 0.905 147 R CB 1.264 31.515 30.300 -0.082 0.000 1.099 147 R HN 0.739 nan 8.270 nan 0.000 0.459 148 Y N 0.694 121.021 120.300 0.045 0.000 2.553 148 Y HA 0.209 4.759 4.550 -0.000 0.000 0.347 148 Y C 0.285 176.207 175.900 0.036 0.000 1.019 148 Y CA -1.286 56.841 58.100 0.044 0.000 1.032 148 Y CB 1.392 39.878 38.460 0.043 0.000 1.284 148 Y HN 0.660 nan 8.280 nan 0.000 0.466 149 N N 0.017 118.832 118.700 0.192 0.000 2.366 149 N HA 0.041 4.781 4.740 -0.000 0.000 0.277 149 N C -0.095 175.481 175.510 0.111 0.000 1.275 149 N CA -0.555 52.565 53.050 0.117 0.000 0.964 149 N CB 0.162 38.702 38.487 0.088 0.000 1.167 149 N HN 0.621 nan 8.380 nan 0.000 0.568 150 N N -0.960 117.784 118.700 0.073 0.000 2.551 150 N HA 0.041 4.781 4.740 -0.000 0.000 0.199 150 N C 0.449 175.988 175.510 0.049 0.000 1.277 150 N CA 0.360 53.442 53.050 0.054 0.000 0.870 150 N CB -0.144 38.366 38.487 0.039 0.000 1.028 150 N HN 0.517 nan 8.380 nan 0.000 0.452 151 L N -1.614 119.646 121.223 0.063 0.000 2.817 151 L HA 0.354 4.694 4.340 -0.000 0.000 0.248 151 L C 0.960 177.862 176.870 0.053 0.000 1.133 151 L CA 0.205 55.076 54.840 0.052 0.000 0.935 151 L CB 0.321 42.412 42.059 0.054 0.000 1.266 151 L HN 0.335 nan 8.230 nan 0.000 0.535 152 G N 1.158 110.003 108.800 0.074 0.000 2.141 152 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.231 152 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.231 152 G C 0.022 175.014 174.900 0.153 0.000 0.984 152 G CA -0.272 44.850 45.100 0.037 0.000 0.660 152 G HN 0.171 nan 8.290 nan 0.000 0.525 153 L N 0.856 122.209 121.223 0.216 0.000 2.292 153 L HA 0.518 4.858 4.340 -0.000 0.000 0.284 153 L C 0.827 177.892 176.870 0.325 0.000 1.065 153 L CA -0.783 54.203 54.840 0.243 0.000 0.806 153 L CB 1.415 43.556 42.059 0.138 0.000 1.175 153 L HN 0.362 nan 8.230 nan 0.000 0.431 154 E N 4.524 124.900 120.200 0.294 0.000 2.376 154 E HA 0.299 4.649 4.350 -0.000 0.000 0.266 154 E C -0.686 175.886 176.600 -0.046 0.000 1.009 154 E CA -0.304 56.063 56.400 -0.055 0.000 0.902 154 E CB 0.755 30.400 29.700 -0.091 0.000 0.972 154 E HN 0.502 nan 8.360 nan 0.000 0.439 155 I N 0.268 120.765 120.570 -0.122 0.000 3.067 155 I HA 0.464 4.634 4.170 -0.000 0.000 0.312 155 I C -0.252 175.840 176.117 -0.042 0.000 1.073 155 I CA -1.212 60.065 61.300 -0.038 0.000 1.016 155 I CB 1.803 39.798 38.000 -0.008 0.000 1.227 155 I HN 0.271 nan 8.210 nan 0.000 0.456 156 T N 4.123 118.680 114.554 0.006 0.000 2.905 156 T HA 0.176 4.526 4.350 -0.000 0.000 0.299 156 T C -2.188 172.539 174.700 0.044 0.000 1.024 156 T CA -0.133 61.988 62.100 0.034 0.000 1.151 156 T CB -0.239 68.646 68.868 0.028 0.000 0.987 156 T HN 0.521 nan 8.240 nan 0.000 0.535 157 P HA 0.239 nan 4.420 nan 0.000 0.286 157 P C -0.742 176.702 177.300 0.241 0.000 1.292 157 P CA -1.223 61.977 63.100 0.165 0.000 0.842 157 P CB 0.791 32.611 31.700 0.201 0.000 1.207 158 W N 1.424 122.782 121.300 0.098 0.000 2.347 158 W HA 0.142 4.802 4.660 -0.000 0.000 0.333 158 W C -0.848 175.709 176.519 0.064 0.000 1.383 158 W CA 1.353 58.727 57.345 0.048 0.000 1.283 158 W CB -0.084 29.400 29.460 0.039 0.000 1.253 158 W HN 0.168 nan 8.180 nan 0.000 0.563 159 T N 8.617 122.788 114.554 -0.639 0.000 2.861 159 T HA 0.318 4.668 4.350 -0.000 0.000 0.287 159 T C -2.512 171.361 174.700 -1.379 0.000 1.003 159 T CA -1.440 60.111 62.100 -0.916 0.000 0.977 159 T CB 1.671 70.171 68.868 -0.614 0.000 0.996 159 T HN 0.120 nan 8.240 nan 0.000 0.448 160 P HA 0.155 nan 4.420 nan 0.000 0.267 160 P C 0.377 177.278 177.300 -0.664 0.000 1.200 160 P CA -0.010 62.525 63.100 -0.942 0.000 0.772 160 P CB 0.453 31.809 31.700 -0.574 0.000 0.855 161 H N 0.031 118.847 119.070 -0.424 0.000 2.462 161 H HA -0.080 4.476 4.556 -0.000 0.000 0.292 161 H C 1.691 176.893 175.328 -0.211 0.000 1.049 161 H CA 1.312 57.181 56.048 -0.298 0.000 1.334 161 H CB 0.079 29.717 29.762 -0.208 0.000 1.404 161 H HN 0.433 nan 8.280 nan 0.000 0.544 162 S N 0.396 116.070 115.700 -0.044 0.000 2.603 162 S HA 0.133 4.603 4.470 -0.000 0.000 0.220 162 S C 2.196 176.736 174.600 -0.099 0.000 0.967 162 S CA 0.224 58.408 58.200 -0.027 0.000 0.920 162 S CB 0.125 63.358 63.200 0.054 0.000 0.773 162 S HN 0.442 nan 8.310 nan 0.000 0.529 163 A N 3.260 125.940 122.820 -0.233 0.000 1.971 163 A HA -0.249 4.071 4.320 -0.000 0.000 0.222 163 A C 1.829 179.302 177.584 -0.186 0.000 1.182 163 A CA 2.084 53.933 52.037 -0.313 0.000 0.649 163 A CB -1.149 17.487 19.000 -0.607 0.000 0.818 163 A HN 0.737 nan 8.150 nan 0.000 0.458 164 N N -0.036 118.583 118.700 -0.136 0.000 2.461 164 N HA 0.047 4.786 4.740 -0.000 0.000 0.188 164 N C -0.686 174.808 175.510 -0.027 0.000 1.134 164 N CA 0.236 53.245 53.050 -0.069 0.000 0.878 164 N CB -0.024 38.426 38.487 -0.062 0.000 0.972 164 N HN 0.637 nan 8.380 nan 0.000 0.456 165 N N 1.290 119.973 118.700 -0.028 0.000 2.417 165 N HA 0.284 5.024 4.740 -0.000 0.000 0.274 165 N C -0.623 174.884 175.510 -0.005 0.000 0.987 165 N CA -0.748 52.295 53.050 -0.013 0.000 0.912 165 N CB 0.875 39.352 38.487 -0.017 0.000 1.177 165 N HN 0.009 nan 8.380 nan 0.000 0.490 166 N N 0.426 119.121 118.700 -0.009 0.000 2.615 166 N HA -0.265 4.475 4.740 -0.000 0.000 0.167 166 N C -0.669 174.813 175.510 -0.046 0.000 0.858 166 N CA 0.667 53.696 53.050 -0.036 0.000 0.890 166 N CB -0.357 38.109 38.487 -0.034 0.000 0.837 166 N HN 0.388 nan 8.380 nan 0.000 0.671 167 I N 1.383 121.896 120.570 -0.095 0.000 2.312 167 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 167 I C 0.427 176.540 176.117 -0.007 0.000 1.031 167 I CA -0.022 61.207 61.300 -0.119 0.000 1.293 167 I CB 0.507 38.386 38.000 -0.203 0.000 1.403 167 I HN 0.327 nan 8.210 nan 0.000 0.484 168 I N 6.123 126.701 120.570 0.013 0.000 2.769 168 I HA 0.457 4.627 4.170 -0.000 0.000 0.298 168 I C -1.443 174.735 176.117 0.102 0.000 1.128 168 I CA -0.607 60.792 61.300 0.165 0.000 1.031 168 I CB 2.214 40.361 38.000 0.246 0.000 1.235 168 I HN 0.337 nan 8.210 nan 0.000 0.423 169 Y N 4.609 125.111 120.300 0.336 0.000 2.468 169 Y HA 0.536 5.086 4.550 -0.000 0.000 0.342 169 Y C -0.108 175.854 175.900 0.103 0.000 1.021 169 Y CA -0.673 57.519 58.100 0.152 0.000 1.079 169 Y CB 1.633 39.986 38.460 -0.178 0.000 1.226 169 Y HN 0.372 nan 8.280 nan 0.000 0.460 170 R N 3.031 123.546 120.500 0.026 0.000 2.396 170 R HA 0.337 4.677 4.340 -0.000 0.000 0.292 170 R C -1.717 174.371 176.300 -0.352 0.000 1.240 170 R CA -0.475 55.401 56.100 -0.373 0.000 1.270 170 R CB 0.012 30.022 30.300 -0.483 0.000 1.108 170 R HN 0.689 nan 8.270 nan 0.000 0.573 171 Y N 1.267 121.497 120.300 -0.115 0.000 2.346 171 Y HA 0.056 4.606 4.550 -0.000 0.000 0.330 171 Y C 0.673 176.505 175.900 -0.115 0.000 1.178 171 Y CA 0.114 58.206 58.100 -0.015 0.000 1.331 171 Y CB 0.805 39.395 38.460 0.216 0.000 1.253 171 Y HN 0.444 nan 8.280 nan 0.000 0.529 172 E N 3.804 124.042 120.200 0.063 0.000 2.151 172 E HA 0.549 4.899 4.350 -0.000 0.000 0.275 172 E C -1.566 175.018 176.600 -0.027 0.000 0.936 172 E CA -0.457 55.897 56.400 -0.077 0.000 0.777 172 E CB 0.678 30.319 29.700 -0.099 0.000 1.108 172 E HN 0.598 nan 8.360 nan 0.000 0.401 173 I N 4.002 124.475 120.570 -0.162 0.000 2.608 173 I HA 0.400 4.570 4.170 -0.000 0.000 0.295 173 I C -1.167 174.763 176.117 -0.312 0.000 1.049 173 I CA -0.725 60.537 61.300 -0.063 0.000 1.063 173 I CB 1.611 39.605 38.000 -0.010 0.000 1.248 173 I HN 0.487 nan 8.210 nan 0.000 0.424 174 F N 4.425 124.542 119.950 0.278 0.000 2.659 174 F HA 0.765 5.292 4.527 -0.000 0.000 0.342 174 F C 0.044 176.032 175.800 0.313 0.000 1.168 174 F CA -0.382 57.804 58.000 0.310 0.000 1.003 174 F CB 1.758 41.010 39.000 0.420 0.000 1.267 174 F HN 0.463 nan 8.300 nan 0.000 0.463 175 A N 4.013 126.976 122.820 0.239 0.000 2.566 175 A HA 0.957 5.277 4.320 -0.000 0.000 0.292 175 A C -3.057 174.517 177.584 -0.016 0.000 1.112 175 A CA -1.825 50.135 52.037 -0.129 0.000 0.707 175 A CB 2.215 20.854 19.000 -0.601 0.000 1.302 175 A HN 0.260 nan 8.150 nan 0.000 0.409 176 P HA 0.479 nan 4.420 nan 0.000 0.284 176 P C 0.740 178.111 177.300 0.119 0.000 1.253 176 P CA 1.440 64.539 63.100 -0.001 0.000 0.800 176 P CB 1.216 32.889 31.700 -0.044 0.000 0.961 177 G N 1.649 110.525 108.800 0.127 0.000 2.539 177 G HA2 0.254 4.214 3.960 -0.000 0.000 0.256 177 G HA3 0.254 4.214 3.960 -0.000 0.000 0.256 177 G C 0.024 174.930 174.900 0.010 0.000 1.233 177 G CA 0.440 45.615 45.100 0.124 0.000 0.936 177 G HN 1.273 nan 8.290 nan 0.000 0.571 178 G N -2.127 106.567 108.800 -0.176 0.000 2.697 178 G HA2 0.365 4.325 3.960 -0.000 0.000 0.686 178 G HA3 0.365 4.325 3.960 -0.000 0.000 0.686 178 G C -0.503 174.212 174.900 -0.308 0.000 1.179 178 G CA 0.009 44.652 45.100 -0.762 0.000 0.765 178 G HN 1.573 nan 8.290 nan 0.000 0.649 179 I N 1.248 121.654 120.570 -0.272 0.000 2.395 179 I HA 0.236 4.406 4.170 -0.000 0.000 0.289 179 I C 0.229 176.272 176.117 -0.122 0.000 1.023 179 I CA -0.442 60.784 61.300 -0.124 0.000 1.350 179 I CB 1.492 39.449 38.000 -0.071 0.000 1.409 179 I HN 0.479 nan 8.210 nan 0.000 0.507 180 D N 7.281 127.636 120.400 -0.074 0.000 2.453 180 D HA 0.100 4.740 4.640 -0.000 0.000 0.223 180 D C 1.156 177.432 176.300 -0.040 0.000 1.183 180 D CA -0.171 53.796 54.000 -0.054 0.000 0.933 180 D CB 0.689 41.467 40.800 -0.038 0.000 1.038 180 D HN 0.301 nan 8.370 nan 0.000 0.513 181 I N 3.539 124.106 120.570 -0.006 0.000 2.163 181 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 181 I C 2.098 178.271 176.117 0.094 0.000 1.085 181 I CA 0.977 62.339 61.300 0.104 0.000 1.347 181 I CB -1.218 36.831 38.000 0.081 0.000 1.044 181 I HN 0.453 nan 8.210 nan 0.000 0.408 182 N N 1.562 120.269 118.700 0.012 0.000 2.104 182 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 182 N C 1.686 177.158 175.510 -0.064 0.000 1.024 182 N CA 2.042 55.082 53.050 -0.016 0.000 0.853 182 N CB -0.104 38.364 38.487 -0.033 0.000 1.008 182 N HN 0.317 nan 8.380 nan 0.000 0.424 183 A N -1.162 121.598 122.820 -0.100 0.000 2.072 183 A HA 0.132 4.452 4.320 -0.000 0.000 0.216 183 A C 2.159 179.606 177.584 -0.229 0.000 1.156 183 A CA 1.104 53.026 52.037 -0.191 0.000 0.701 183 A CB -0.257 18.622 19.000 -0.201 0.000 0.816 183 A HN 0.363 nan 8.150 nan 0.000 0.458 184 S N -1.000 114.570 115.700 -0.216 0.000 2.439 184 S HA 0.317 4.787 4.470 -0.000 0.000 0.224 184 S C 0.082 174.248 174.600 -0.724 0.000 1.029 184 S CA 0.292 58.221 58.200 -0.451 0.000 0.946 184 S CB -0.130 62.656 63.200 -0.690 0.000 0.797 184 S HN 0.447 nan 8.310 nan 0.000 0.504 185 F N 0.651 120.539 119.950 -0.103 0.000 2.631 185 F HA 0.521 5.048 4.527 -0.000 0.000 0.328 185 F C 0.246 175.927 175.800 -0.198 0.000 1.067 185 F CA -1.197 56.712 58.000 -0.152 0.000 0.969 185 F CB 0.963 39.864 39.000 -0.164 0.000 1.332 185 F HN -0.318 nan 8.300 nan 0.000 0.490 186 S N 0.517 116.188 115.700 -0.048 0.000 2.489 186 S HA 0.215 4.684 4.470 -0.000 0.000 0.277 186 S C 1.098 175.548 174.600 -0.250 0.000 1.230 186 S CA -0.866 57.175 58.200 -0.264 0.000 1.053 186 S CB 0.953 63.792 63.200 -0.602 0.000 0.955 186 S HN 0.682 nan 8.310 nan 0.000 0.488 187 R N 3.272 123.663 120.500 -0.181 0.000 2.261 187 R HA -0.093 4.247 4.340 -0.000 0.000 0.236 187 R C 0.567 176.825 176.300 -0.070 0.000 1.141 187 R CA 1.631 57.665 56.100 -0.110 0.000 1.001 187 R CB -0.387 29.880 30.300 -0.054 0.000 0.866 187 R HN 0.531 nan 8.270 nan 0.000 0.468 188 N N -0.436 118.212 118.700 -0.087 0.000 2.227 188 N HA 0.044 4.784 4.740 -0.000 0.000 0.196 188 N C -0.128 175.420 175.510 0.064 0.000 1.142 188 N CA -0.123 52.987 53.050 0.100 0.000 0.887 188 N CB 0.370 38.955 38.487 0.164 0.000 1.022 188 N HN 0.391 nan 8.380 nan 0.000 0.500 189 H N 0.992 119.796 119.070 -0.443 0.000 2.505 189 H HA 0.159 4.715 4.556 -0.000 0.000 0.358 189 H C 0.311 174.882 175.328 -1.262 0.000 1.304 189 H CA -0.783 54.856 56.048 -0.682 0.000 1.393 189 H CB 0.902 30.224 29.762 -0.732 0.000 1.591 189 H HN 0.067 nan 8.280 nan 0.000 0.595 190 N N 1.477 119.637 118.700 -0.899 0.000 2.476 190 N HA 0.048 4.788 4.740 -0.000 0.000 0.275 190 N C -2.344 172.925 175.510 -0.402 0.000 1.190 190 N CA -1.801 50.767 53.050 -0.803 0.000 0.977 190 N CB 1.220 39.646 38.487 -0.102 0.000 1.200 190 N HN 0.296 nan 8.380 nan 0.000 0.515 191 P HA 0.150 nan 4.420 nan 0.000 0.254 191 P C -0.641 176.597 177.300 -0.104 0.000 1.631 191 P CA -0.306 62.672 63.100 -0.204 0.000 0.861 191 P CB -1.217 30.340 31.700 -0.238 0.000 1.663 192 F N -0.621 119.239 119.950 -0.150 0.000 2.594 192 F HA -0.200 4.327 4.527 -0.000 0.000 0.208 192 F C -1.370 174.322 175.800 -0.180 0.000 1.032 192 F CA -0.193 57.728 58.000 -0.132 0.000 0.877 192 F CB -1.839 37.102 39.000 -0.098 0.000 0.814 192 F HN 0.241 nan 8.300 nan 0.000 0.844 193 P HA 0.220 nan 4.420 nan 0.000 0.304 193 P C -0.605 176.619 177.300 -0.127 0.000 1.310 193 P CA -0.681 62.317 63.100 -0.170 0.000 0.796 193 P CB 0.892 32.439 31.700 -0.256 0.000 1.297 194 N N -0.019 118.565 118.700 -0.194 0.000 2.415 194 N HA 0.027 4.767 4.740 -0.000 0.000 0.246 194 N C 0.895 176.317 175.510 -0.147 0.000 1.078 194 N CA 0.233 53.154 53.050 -0.215 0.000 0.942 194 N CB 0.281 38.420 38.487 -0.581 0.000 1.140 194 N HN 0.129 nan 8.380 nan 0.000 0.501 195 Q N 1.790 121.552 119.800 -0.063 0.000 2.173 195 Q HA -0.157 4.183 4.340 -0.000 0.000 0.208 195 Q C 0.385 176.361 176.000 -0.040 0.000 0.989 195 Q CA 1.649 57.431 55.803 -0.036 0.000 0.872 195 Q CB 0.010 28.739 28.738 -0.014 0.000 0.909 195 Q HN 0.651 nan 8.270 nan 0.000 0.420 196 D N 0.368 120.744 120.400 -0.040 0.000 2.371 196 D HA -0.043 4.597 4.640 -0.000 0.000 0.234 196 D C -0.248 176.010 176.300 -0.069 0.000 1.049 196 D CA 0.271 54.255 54.000 -0.027 0.000 0.907 196 D CB -0.121 40.694 40.800 0.026 0.000 0.891 196 D HN 0.305 nan 8.370 nan 0.000 0.531 197 E N 0.417 120.549 120.200 -0.113 0.000 2.343 197 E HA 0.209 4.559 4.350 -0.000 0.000 0.269 197 E C -0.654 175.905 176.600 -0.069 0.000 1.047 197 E CA -0.466 55.861 56.400 -0.123 0.000 0.874 197 E CB 0.685 30.280 29.700 -0.174 0.000 1.033 197 E HN -0.137 nan 8.360 nan 0.000 0.409 198 I N 3.806 124.343 120.570 -0.053 0.000 2.439 198 I HA 0.177 4.347 4.170 -0.000 0.000 0.285 198 I C -0.477 175.563 176.117 -0.128 0.000 1.021 198 I CA -0.537 60.701 61.300 -0.105 0.000 1.091 198 I CB 1.281 39.245 38.000 -0.060 0.000 1.242 198 I HN 0.464 nan 8.210 nan 0.000 0.439 199 T N 6.526 120.965 114.554 -0.192 0.000 2.837 199 T HA 0.574 4.924 4.350 -0.000 0.000 0.285 199 T C -0.423 174.139 174.700 -0.230 0.000 0.984 199 T CA -0.180 61.870 62.100 -0.084 0.000 1.049 199 T CB 0.741 69.588 68.868 -0.035 0.000 0.947 199 T HN 0.113 nan 8.240 nan 0.000 0.472 200 F N 3.867 123.881 119.950 0.107 0.000 2.382 200 F HA 0.368 4.895 4.527 -0.000 0.000 0.361 200 F C -2.278 173.585 175.800 0.104 0.000 1.109 200 F CA -2.651 55.404 58.000 0.090 0.000 1.031 200 F CB 1.468 40.474 39.000 0.010 0.000 1.234 200 F HN 0.289 nan 8.300 nan 0.000 0.445 201 P HA 0.222 nan 4.420 nan 0.000 0.271 201 P C 0.741 177.993 177.300 -0.080 0.000 1.226 201 P CA 0.590 63.742 63.100 0.086 0.000 0.765 201 P CB 0.988 32.802 31.700 0.190 0.000 0.835 202 G N 2.400 111.083 108.800 -0.195 0.000 2.176 202 G HA2 0.022 3.982 3.960 -0.000 0.000 0.253 202 G HA3 0.022 3.982 3.960 -0.000 0.000 0.253 202 G C 0.583 175.398 174.900 -0.143 0.000 0.979 202 G CA 0.234 45.187 45.100 -0.246 0.000 0.641 202 G HN 0.981 nan 8.290 nan 0.000 0.530 203 G N -1.003 107.777 108.800 -0.034 0.000 2.642 203 G HA2 0.119 4.079 3.960 -0.000 0.000 0.231 203 G HA3 0.119 4.079 3.960 -0.000 0.000 0.231 203 G C -0.297 174.587 174.900 -0.026 0.000 1.338 203 G CA 0.119 45.227 45.100 0.013 0.000 0.883 203 G HN 1.439 nan 8.290 nan 0.000 0.570 204 I N 0.211 120.768 120.570 -0.020 0.000 2.686 204 I HA 0.487 4.657 4.170 -0.000 0.000 0.295 204 I C 0.561 176.706 176.117 0.046 0.000 1.114 204 I CA -0.866 60.387 61.300 -0.078 0.000 1.038 204 I CB 2.178 40.090 38.000 -0.148 0.000 1.238 204 I HN 0.573 nan 8.210 nan 0.000 0.420 205 R N 4.818 125.434 120.500 0.193 0.000 2.490 205 R HA 0.266 4.606 4.340 -0.000 0.000 0.278 205 R C -1.696 174.664 176.300 0.100 0.000 1.069 205 R CA -1.477 54.716 56.100 0.154 0.000 1.080 205 R CB 0.418 30.830 30.300 0.187 0.000 1.030 205 R HN 0.301 nan 8.270 nan 0.000 0.491 206 P HA -0.256 nan 4.420 nan 0.000 0.216 206 P C 0.632 177.867 177.300 -0.108 0.000 1.150 206 P CA 1.432 64.461 63.100 -0.119 0.000 0.843 206 P CB -0.005 31.611 31.700 -0.139 0.000 0.787 207 E N -1.115 118.954 120.200 -0.219 0.000 2.396 207 E HA -0.172 4.178 4.350 -0.000 0.000 0.200 207 E C 0.739 177.080 176.600 -0.432 0.000 1.023 207 E CA 0.893 57.062 56.400 -0.385 0.000 0.857 207 E CB -1.000 28.341 29.700 -0.598 0.000 0.775 207 E HN 0.264 nan 8.360 nan 0.000 0.525 208 F N 0.820 120.806 119.950 0.060 0.000 2.695 208 F HA 0.342 4.869 4.527 -0.000 0.000 0.303 208 F C 0.688 176.716 175.800 0.380 0.000 1.091 208 F CA -0.336 57.786 58.000 0.203 0.000 1.300 208 F CB 0.474 39.510 39.000 0.060 0.000 1.071 208 F HN -0.110 nan 8.300 nan 0.000 0.578 209 I N 0.725 121.517 120.570 0.369 0.000 2.291 209 I HA 0.229 4.399 4.170 -0.000 0.000 0.290 209 I C 1.426 177.580 176.117 0.062 0.000 1.050 209 I CA -0.211 61.231 61.300 0.237 0.000 1.245 209 I CB 1.297 39.399 38.000 0.170 0.000 1.405 209 I HN 0.029 nan 8.210 nan 0.000 0.478 210 R N 4.123 124.509 120.500 -0.190 0.000 2.062 210 R HA -0.025 4.315 4.340 -0.000 0.000 0.229 210 R C 0.654 176.770 176.300 -0.307 0.000 1.128 210 R CA 1.351 57.032 56.100 -0.698 0.000 0.960 210 R CB 0.342 29.984 30.300 -1.096 0.000 0.855 210 R HN 0.812 nan 8.270 nan 0.000 0.432 211 S N -2.525 113.162 115.700 -0.022 0.000 2.727 211 S HA 0.456 4.926 4.470 -0.000 0.000 0.278 211 S C -0.840 173.921 174.600 0.268 0.000 1.186 211 S CA -0.676 57.641 58.200 0.195 0.000 0.836 211 S CB 2.092 65.360 63.200 0.113 0.000 1.186 211 S HN 0.046 nan 8.310 nan 0.000 0.499 212 T N 0.338 115.032 114.554 0.234 0.000 2.957 212 T HA 0.532 4.882 4.350 -0.000 0.000 0.336 212 T C -2.362 172.476 174.700 0.231 0.000 1.462 212 T CA -0.450 61.618 62.100 -0.053 0.000 1.073 212 T CB 0.806 69.256 68.868 -0.696 0.000 1.319 212 T HN 0.521 nan 8.240 nan 0.000 0.485 213 Y N 2.291 122.552 120.300 -0.064 0.000 2.320 213 Y HA 0.477 5.027 4.550 -0.000 0.000 0.334 213 Y C 0.653 176.478 175.900 -0.126 0.000 1.055 213 Y CA -1.627 56.393 58.100 -0.134 0.000 1.143 213 Y CB 1.230 39.516 38.460 -0.289 0.000 1.193 213 Y HN 0.659 nan 8.280 nan 0.000 0.477 214 E N 3.728 123.940 120.200 0.020 0.000 2.081 214 E HA 0.285 4.635 4.350 -0.000 0.000 0.281 214 E C -1.714 174.758 176.600 -0.213 0.000 0.986 214 E CA -0.346 55.984 56.400 -0.116 0.000 0.796 214 E CB 0.457 30.270 29.700 0.188 0.000 1.085 214 E HN 0.516 nan 8.360 nan 0.000 0.398 215 Y N 2.464 122.739 120.300 -0.043 0.000 2.361 215 Y HA 0.301 4.851 4.550 -0.000 0.000 0.332 215 Y C -0.022 176.024 175.900 0.243 0.000 1.101 215 Y CA -0.472 57.683 58.100 0.092 0.000 1.137 215 Y CB 1.540 40.077 38.460 0.127 0.000 1.207 215 Y HN 0.498 nan 8.280 nan 0.000 0.463 216 H N 2.490 121.635 119.070 0.126 0.000 2.970 216 H HA 0.208 4.764 4.556 -0.000 0.000 0.315 216 H C -0.623 174.754 175.328 0.081 0.000 0.992 216 H CA -1.055 55.033 56.048 0.067 0.000 1.363 216 H CB 0.765 30.547 29.762 0.034 0.000 1.532 216 H HN 0.806 nan 8.280 nan 0.000 0.514 217 N N 2.186 120.971 118.700 0.142 0.000 2.738 217 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 217 N C 1.062 176.632 175.510 0.100 0.000 1.047 217 N CA 0.754 53.857 53.050 0.088 0.000 0.707 217 N CB -0.700 37.827 38.487 0.068 0.000 0.937 217 N HN 1.099 nan 8.380 nan 0.000 0.545 218 G N -1.106 107.771 108.800 0.128 0.000 2.162 218 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 218 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 218 G C -0.218 174.838 174.900 0.259 0.000 0.976 218 G CA 0.609 45.778 45.100 0.115 0.000 0.655 218 G HN 0.556 nan 8.290 nan 0.000 0.533 219 E N -0.297 120.083 120.200 0.300 0.000 2.176 219 E HA 0.546 4.896 4.350 -0.000 0.000 0.267 219 E C 0.545 177.224 176.600 0.132 0.000 0.893 219 E CA -0.955 55.577 56.400 0.220 0.000 0.761 219 E CB 1.431 31.193 29.700 0.102 0.000 1.133 219 E HN 0.336 nan 8.360 nan 0.000 0.409 220 I N 3.237 123.781 120.570 -0.044 0.000 2.683 220 I HA -0.104 4.066 4.170 -0.000 0.000 0.286 220 I C 0.810 176.759 176.117 -0.281 0.000 1.175 220 I CA 0.305 61.364 61.300 -0.402 0.000 1.429 220 I CB 0.557 38.264 38.000 -0.488 0.000 1.371 220 I HN 0.483 nan 8.210 nan 0.000 0.569 221 V N 5.766 125.480 119.914 -0.333 0.000 3.359 221 V HA 0.223 4.343 4.120 -0.000 0.000 0.245 221 V C 0.543 176.462 176.094 -0.291 0.000 1.247 221 V CA 0.409 62.515 62.300 -0.324 0.000 1.145 221 V CB 0.369 31.862 31.823 -0.550 0.000 0.906 221 V HN 0.791 nan 8.190 nan 0.000 0.464 222 R N -0.622 119.705 120.500 -0.288 0.000 2.692 222 R HA 0.560 4.899 4.340 -0.000 0.000 0.269 222 R C -2.145 173.983 176.300 -0.286 0.000 1.030 222 R CA -0.609 55.298 56.100 -0.321 0.000 0.882 222 R CB 2.083 32.144 30.300 -0.398 0.000 1.250 222 R HN 0.131 nan 8.270 nan 0.000 0.465 223 I N 2.570 122.949 120.570 -0.319 0.000 2.439 223 I HA 0.328 4.498 4.170 -0.000 0.000 0.283 223 I C -1.114 174.946 176.117 -0.096 0.000 1.023 223 I CA -0.573 60.662 61.300 -0.108 0.000 1.100 223 I CB 1.321 39.260 38.000 -0.100 0.000 1.238 223 I HN 0.492 nan 8.210 nan 0.000 0.445 224 W N 6.980 128.353 121.300 0.120 0.000 2.381 224 W HA 0.551 5.211 4.660 -0.000 0.000 0.329 224 W C -0.189 176.454 176.519 0.206 0.000 1.157 224 W CA -0.412 57.044 57.345 0.186 0.000 1.240 224 W CB 1.015 30.585 29.460 0.183 0.000 1.199 224 W HN 0.094 nan 8.180 nan 0.000 0.579 225 I N 3.026 123.787 120.570 0.318 0.000 2.509 225 I HA 0.132 4.302 4.170 -0.000 0.000 0.293 225 I C -0.506 175.403 176.117 -0.347 0.000 1.020 225 I CA -1.050 60.173 61.300 -0.128 0.000 1.088 225 I CB 1.626 39.332 38.000 -0.489 0.000 1.267 225 I HN 0.373 nan 8.210 nan 0.000 0.430 226 N N 8.700 127.054 118.700 -0.576 0.000 2.500 226 N HA 0.274 5.014 4.740 -0.000 0.000 0.236 226 N C -1.608 173.711 175.510 -0.319 0.000 1.022 226 N CA -2.205 50.428 53.050 -0.695 0.000 0.935 226 N CB 1.258 39.090 38.487 -1.091 0.000 1.147 226 N HN 0.274 nan 8.380 nan 0.000 0.512 227 P HA -0.130 nan 4.420 nan 0.000 0.218 227 P C 0.057 177.390 177.300 0.056 0.000 1.148 227 P CA 1.206 64.301 63.100 -0.007 0.000 0.822 227 P CB 0.342 32.148 31.700 0.176 0.000 0.784 228 N N -0.817 117.902 118.700 0.033 0.000 2.449 228 N HA -0.021 4.719 4.740 -0.000 0.000 0.191 228 N C 0.433 175.922 175.510 -0.036 0.000 1.161 228 N CA -0.101 52.955 53.050 0.009 0.000 0.863 228 N CB -0.580 37.925 38.487 0.029 0.000 0.980 228 N HN 0.167 nan 8.380 nan 0.000 0.458 229 F N 1.767 121.615 119.950 -0.170 0.000 2.607 229 F HA -0.075 4.452 4.527 -0.000 0.000 0.374 229 F C 1.754 177.467 175.800 -0.145 0.000 1.104 229 F CA -0.653 57.245 58.000 -0.171 0.000 1.296 229 F CB 0.579 39.497 39.000 -0.136 0.000 1.085 229 F HN -0.132 nan 8.300 nan 0.000 0.584 230 I N 3.400 123.330 120.570 -1.067 0.000 2.229 230 I HA -0.325 3.845 4.170 -0.000 0.000 0.250 230 I C 0.805 176.548 176.117 -0.624 0.000 1.096 230 I CA 1.756 62.542 61.300 -0.857 0.000 1.358 230 I CB -0.608 36.849 38.000 -0.906 0.000 1.047 230 I HN 0.662 nan 8.210 nan 0.000 0.422 231 N N -0.297 117.950 118.700 -0.754 0.000 2.841 231 N HA 0.269 5.009 4.740 -0.000 0.000 0.257 231 N C -2.074 173.471 175.510 0.059 0.000 1.396 231 N CA -2.213 50.696 53.050 -0.234 0.000 0.823 231 N CB 0.771 39.162 38.487 -0.159 0.000 1.162 231 N HN -0.002 nan 8.380 nan 0.000 0.503 232 P HA -0.154 nan 4.420 nan 0.000 0.220 232 P C 1.364 178.742 177.300 0.130 0.000 1.144 232 P CA 0.941 64.128 63.100 0.145 0.000 0.800 232 P CB 0.226 31.981 31.700 0.092 0.000 0.772 233 S N -0.321 115.427 115.700 0.079 0.000 2.419 233 S HA -0.167 4.303 4.470 -0.000 0.000 0.235 233 S C 1.836 176.480 174.600 0.073 0.000 1.019 233 S CA 2.056 60.293 58.200 0.062 0.000 0.982 233 S CB -1.753 61.466 63.200 0.031 0.000 0.789 233 S HN 0.371 nan 8.310 nan 0.000 0.490 234 T N -0.874 113.739 114.554 0.097 0.000 3.086 234 T HA 0.326 4.676 4.350 -0.000 0.000 0.250 234 T C 1.623 176.369 174.700 0.076 0.000 1.074 234 T CA -0.021 62.123 62.100 0.073 0.000 0.988 234 T CB -0.473 68.421 68.868 0.044 0.000 0.988 234 T HN 0.388 nan 8.240 nan 0.000 0.530 235 L N 1.032 122.328 121.223 0.121 0.000 2.263 235 L HA -0.111 4.229 4.340 -0.000 0.000 0.216 235 L C 2.668 179.612 176.870 0.124 0.000 1.111 235 L CA 1.205 56.112 54.840 0.112 0.000 0.773 235 L CB -0.742 41.437 42.059 0.201 0.000 0.906 235 L HN 0.361 nan 8.230 nan 0.000 0.439 236 N N 0.497 119.263 118.700 0.110 0.000 2.106 236 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 236 N C 1.229 176.785 175.510 0.077 0.000 1.029 236 N CA 1.325 54.432 53.050 0.094 0.000 0.848 236 N CB -0.062 38.467 38.487 0.070 0.000 1.007 236 N HN 0.243 nan 8.380 nan 0.000 0.423 237 D N -0.096 120.341 120.400 0.060 0.000 2.403 237 D HA -0.060 4.580 4.640 -0.000 0.000 0.227 237 D C -0.083 176.265 176.300 0.080 0.000 0.995 237 D CA 0.170 54.205 54.000 0.059 0.000 0.928 237 D CB -0.254 40.569 40.800 0.039 0.000 0.887 237 D HN 0.051 nan 8.370 nan 0.000 0.529 238 V N 2.586 122.551 119.914 0.085 0.000 2.416 238 V HA -0.060 4.060 4.120 -0.000 0.000 0.267 238 V C 1.052 177.224 176.094 0.130 0.000 1.007 238 V CA -0.110 62.257 62.300 0.111 0.000 1.102 238 V CB -0.574 31.312 31.823 0.105 0.000 1.035 238 V HN 0.178 nan 8.190 nan 0.000 0.473 239 S N 4.152 119.944 115.700 0.154 0.000 2.596 239 S HA 0.740 5.210 4.470 -0.000 0.000 0.260 239 S C 0.356 175.060 174.600 0.173 0.000 1.336 239 S CA 0.043 58.335 58.200 0.152 0.000 0.993 239 S CB 1.539 64.844 63.200 0.175 0.000 0.923 239 S HN 1.517 nan 8.310 nan 0.000 0.567 240 G N -0.229 108.632 108.800 0.100 0.000 2.347 240 G HA2 0.446 4.406 3.960 -0.000 0.000 0.303 240 G HA3 0.446 4.406 3.960 -0.000 0.000 0.303 240 G C -3.489 171.372 174.900 -0.066 0.000 1.481 240 G CA -1.105 43.981 45.100 -0.024 0.000 0.914 240 G HN 0.669 nan 8.290 nan 0.000 0.638 241 P HA 0.377 nan 4.420 nan 0.000 0.269 241 P C 0.330 177.578 177.300 -0.087 0.000 1.215 241 P CA -0.157 62.883 63.100 -0.099 0.000 0.780 241 P CB 0.694 32.311 31.700 -0.138 0.000 0.898 242 S N 1.285 116.953 115.700 -0.054 0.000 2.601 242 S HA 0.232 4.701 4.470 -0.000 0.000 0.271 242 S C 0.445 175.011 174.600 -0.057 0.000 1.305 242 S CA -0.700 57.473 58.200 -0.045 0.000 1.022 242 S CB 0.238 63.423 63.200 -0.025 0.000 0.940 242 S HN 0.559 nan 8.310 nan 0.000 0.525 243 N N -0.317 118.350 118.700 -0.054 0.000 2.818 243 N HA -0.135 4.605 4.740 -0.000 0.000 0.250 243 N C -1.124 174.337 175.510 -0.081 0.000 1.108 243 N CA 0.782 53.798 53.050 -0.057 0.000 0.745 243 N CB -1.219 37.240 38.487 -0.045 0.000 1.104 243 N HN 0.732 nan 8.380 nan 0.000 0.557 244 I N 1.142 121.650 120.570 -0.104 0.000 2.439 244 I HA 0.119 4.289 4.170 -0.000 0.000 0.283 244 I C 0.427 176.455 176.117 -0.148 0.000 1.023 244 I CA -0.757 60.456 61.300 -0.144 0.000 1.100 244 I CB 1.745 39.628 38.000 -0.196 0.000 1.238 244 I HN 0.018 nan 8.210 nan 0.000 0.445 245 S N 4.514 120.125 115.700 -0.149 0.000 2.885 245 S HA -0.097 4.372 4.470 -0.000 0.000 0.334 245 S C 0.095 174.585 174.600 -0.183 0.000 1.224 245 S CA -0.163 57.946 58.200 -0.151 0.000 1.080 245 S CB 0.144 63.245 63.200 -0.165 0.000 0.801 245 S HN 0.669 nan 8.310 nan 0.000 0.510 246 K N 3.827 124.160 120.400 -0.112 0.000 2.265 246 K HA 0.334 4.654 4.320 -0.000 0.000 0.242 246 K C -0.591 176.002 176.600 -0.012 0.000 1.137 246 K CA -0.491 55.757 56.287 -0.065 0.000 1.082 246 K CB 0.057 32.564 32.500 0.012 0.000 1.731 246 K HN 0.617 nan 8.250 nan 0.000 0.392 247 V N 3.128 122.942 119.914 -0.167 0.000 2.924 247 V HA 0.143 4.263 4.120 -0.000 0.000 0.305 247 V C 0.098 176.322 176.094 0.216 0.000 1.073 247 V CA -0.236 62.005 62.300 -0.098 0.000 1.098 247 V CB 0.421 31.914 31.823 -0.550 0.000 1.000 247 V HN 0.395 nan 8.190 nan 0.000 0.484 248 F N 2.391 122.428 119.950 0.146 0.000 2.388 248 F HA 0.371 4.898 4.527 -0.000 0.000 0.358 248 F C -0.009 176.097 175.800 0.510 0.000 1.122 248 F CA -1.091 57.091 58.000 0.303 0.000 1.056 248 F CB 0.937 40.070 39.000 0.222 0.000 1.155 248 F HN 0.636 nan 8.300 nan 0.000 0.461 249 W N 6.547 128.113 121.300 0.443 0.000 2.158 249 W HA 0.344 5.004 4.660 -0.000 0.000 0.339 249 W C -0.642 176.123 176.519 0.410 0.000 1.294 249 W CA 0.344 57.998 57.345 0.515 0.000 1.231 249 W CB 0.255 30.060 29.460 0.576 0.000 1.143 249 W HN 0.642 nan 8.180 nan 0.000 0.571 250 H N 1.661 120.335 119.070 -0.661 0.000 2.974 250 H HA 0.322 4.878 4.556 -0.000 0.000 0.366 250 H C -0.851 173.600 175.328 -1.463 0.000 1.155 250 H CA -1.332 54.206 56.048 -0.849 0.000 1.186 250 H CB 0.790 30.401 29.762 -0.252 0.000 1.799 250 H HN 0.552 nan 8.280 nan 0.000 0.541 251 E N 1.765 121.324 120.200 -1.067 0.000 2.565 251 E HA -0.176 4.174 4.350 -0.000 0.000 0.268 251 E C -0.024 176.463 176.600 -0.188 0.000 1.000 251 E CA 0.685 56.750 56.400 -0.558 0.000 0.964 251 E CB 0.146 29.762 29.700 -0.140 0.000 0.955 251 E HN 0.786 nan 8.360 nan 0.000 0.459 252 N N 1.718 120.410 118.700 -0.015 0.000 2.681 252 N HA -0.269 4.471 4.740 -0.000 0.000 0.250 252 N C -0.524 175.011 175.510 0.041 0.000 1.133 252 N CA 0.975 54.055 53.050 0.050 0.000 0.732 252 N CB -1.251 37.268 38.487 0.054 0.000 1.107 252 N HN 0.573 nan 8.380 nan 0.000 0.559 253 H N 1.520 120.448 119.070 -0.238 0.000 3.115 253 H HA 0.002 4.558 4.556 -0.000 0.000 0.324 253 H C 1.628 176.949 175.328 -0.012 0.000 1.007 253 H CA 1.559 57.413 56.048 -0.323 0.000 1.385 253 H CB 0.908 30.346 29.762 -0.538 0.000 1.351 253 H HN 0.306 nan 8.280 nan 0.000 0.592 254 S N 3.132 118.981 115.700 0.249 0.000 2.383 254 S HA -0.160 4.310 4.470 -0.000 0.000 0.229 254 S C 0.969 175.789 174.600 0.367 0.000 1.030 254 S CA 1.615 59.977 58.200 0.270 0.000 1.002 254 S CB 0.006 63.308 63.200 0.171 0.000 0.829 254 S HN 0.794 nan 8.310 nan 0.000 0.467 255 E N 0.343 120.907 120.200 0.608 0.000 2.499 255 E HA 0.294 4.643 4.350 -0.000 0.000 0.199 255 E C 1.017 177.845 176.600 0.380 0.000 1.016 255 E CA 0.138 56.803 56.400 0.441 0.000 0.933 255 E CB 0.465 30.426 29.700 0.436 0.000 1.050 255 E HN 0.609 nan 8.360 nan 0.000 0.462 256 G N 1.096 109.971 108.800 0.125 0.000 3.448 256 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.261 256 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.261 256 G C 0.616 175.414 174.900 -0.170 0.000 1.173 256 G CA -0.215 44.665 45.100 -0.366 0.000 0.835 256 G HN 0.086 nan 8.290 nan 0.000 0.534 257 N N 0.596 119.307 118.700 0.019 0.000 2.377 257 N HA 0.023 4.763 4.740 -0.000 0.000 0.259 257 N C -0.791 174.779 175.510 0.100 0.000 1.332 257 N CA -0.280 52.789 53.050 0.031 0.000 0.877 257 N CB 0.288 38.809 38.487 0.056 0.000 1.299 257 N HN 0.031 nan 8.380 nan 0.000 0.501 258 N N 2.065 120.874 118.700 0.181 0.000 2.420 258 N HA 0.211 4.951 4.740 -0.000 0.000 0.262 258 N C 0.113 175.763 175.510 0.234 0.000 1.144 258 N CA 0.298 53.477 53.050 0.216 0.000 0.952 258 N CB 0.903 39.571 38.487 0.301 0.000 1.081 258 N HN 0.430 nan 8.380 nan 0.000 0.480 259 M N -1.385 118.298 119.600 0.138 0.000 2.682 259 M HA 0.478 4.958 4.480 -0.000 0.000 0.272 259 M C -1.701 174.635 176.300 0.060 0.000 1.232 259 M CA -1.021 54.359 55.300 0.134 0.000 0.849 259 M CB 1.595 34.289 32.600 0.157 0.000 1.695 259 M HN -0.115 nan 8.290 nan 0.000 0.481 260 D N 2.968 123.398 120.400 0.050 0.000 2.472 260 D HA 0.174 4.814 4.640 -0.000 0.000 0.237 260 D C 0.492 176.806 176.300 0.022 0.000 1.141 260 D CA 0.686 54.698 54.000 0.020 0.000 0.875 260 D CB 0.980 41.791 40.800 0.018 0.000 1.192 260 D HN 0.819 nan 8.370 nan 0.000 0.450 273 D N 0.782 121.289 120.400 0.179 0.000 2.339 273 D HA 0.152 4.792 4.640 -0.000 0.000 0.217 273 D C 1.014 177.419 176.300 0.176 0.000 1.050 273 D CA -0.209 53.887 54.000 0.160 0.000 0.856 273 D CB -0.133 40.759 40.800 0.153 0.000 0.922 273 D HN 0.185 nan 8.370 nan 0.000 0.518 274 F N 1.903 121.911 119.950 0.097 0.000 2.065 274 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 274 F C 1.534 177.452 175.800 0.196 0.000 1.112 274 F CA 1.502 59.578 58.000 0.127 0.000 1.212 274 F CB 0.265 39.328 39.000 0.105 0.000 0.975 274 F HN -0.119 nan 8.300 nan 0.000 0.476 275 D N -0.255 120.374 120.400 0.381 0.000 2.363 275 D HA -0.057 4.583 4.640 -0.000 0.000 0.226 275 D C 1.680 178.189 176.300 0.349 0.000 1.020 275 D CA 0.504 54.687 54.000 0.306 0.000 0.892 275 D CB 0.166 41.164 40.800 0.330 0.000 0.900 275 D HN 0.348 nan 8.370 nan 0.000 0.531 276 M N -0.203 119.537 119.600 0.235 0.000 2.333 276 M HA 0.088 4.568 4.480 -0.000 0.000 0.257 276 M C 0.080 176.336 176.300 -0.074 0.000 1.078 276 M CA -0.353 54.991 55.300 0.073 0.000 1.005 276 M CB -0.156 32.470 32.600 0.042 0.000 1.444 276 M HN -0.158 nan 8.290 nan 0.000 0.496 277 F N 1.517 121.369 119.950 -0.162 0.000 2.472 277 F HA 0.413 4.940 4.527 -0.000 0.000 0.364 277 F C 1.411 177.139 175.800 -0.120 0.000 1.090 277 F CA -0.730 57.121 58.000 -0.248 0.000 1.188 277 F CB 0.584 39.384 39.000 -0.334 0.000 1.105 277 F HN 0.237 nan 8.300 nan 0.000 0.536 278 A N 7.669 130.305 122.820 -0.307 0.000 1.906 278 A HA -0.244 4.076 4.320 -0.000 0.000 0.222 278 A C -0.602 176.870 177.584 -0.188 0.000 1.282 278 A CA 2.370 54.259 52.037 -0.247 0.000 0.675 278 A CB -2.345 16.483 19.000 -0.287 0.000 0.838 278 A HN 0.678 nan 8.150 nan 0.000 0.469 279 P HA -0.045 nan 4.420 nan 0.000 0.225 279 P C 0.305 177.422 177.300 -0.305 0.000 1.148 279 P CA 0.997 63.843 63.100 -0.423 0.000 0.779 279 P CB -0.179 31.171 31.700 -0.583 0.000 0.780 280 N N -0.501 117.992 118.700 -0.345 0.000 2.314 280 N HA 0.206 4.946 4.740 -0.000 0.000 0.200 280 N C 0.902 175.983 175.510 -0.716 0.000 1.135 280 N CA 0.407 53.246 53.050 -0.353 0.000 0.835 280 N CB 0.390 38.627 38.487 -0.418 0.000 0.989 280 N HN 0.156 nan 8.380 nan 0.000 0.478 281 G N -0.238 107.990 108.800 -0.953 0.000 2.488 281 G HA2 0.529 4.489 3.960 -0.000 0.000 0.301 281 G HA3 0.529 4.489 3.960 -0.000 0.000 0.301 281 G C -1.762 172.354 174.900 -1.307 0.000 1.339 281 G CA -0.675 43.365 45.100 -1.766 0.000 0.803 281 G HN 0.156 nan 8.290 nan 0.000 0.482 282 E N -1.763 117.521 120.200 -1.527 0.000 2.427 282 E HA 0.335 4.684 4.350 -0.000 0.000 0.279 282 E C -1.576 174.659 176.600 -0.609 0.000 1.120 282 E CA -1.037 54.905 56.400 -0.763 0.000 0.869 282 E CB 0.973 30.537 29.700 -0.226 0.000 1.393 282 E HN 0.424 nan 8.360 nan 0.000 0.443 283 I N 2.904 123.360 120.570 -0.190 0.000 2.278 283 I HA 0.144 4.314 4.170 -0.000 0.000 0.296 283 I C -1.316 174.749 176.117 -0.086 0.000 1.121 283 I CA -1.788 59.467 61.300 -0.075 0.000 1.267 283 I CB 0.626 38.652 38.000 0.043 0.000 1.447 283 I HN 0.487 nan 8.210 nan 0.000 0.509 284 P HA -0.155 nan 4.420 nan 0.000 0.216 284 P C -0.329 176.940 177.300 -0.052 0.000 1.153 284 P CA 1.580 64.624 63.100 -0.093 0.000 0.858 284 P CB 0.009 31.645 31.700 -0.107 0.000 0.789 285 N N -2.988 115.692 118.700 -0.032 0.000 3.378 285 N HA 0.148 4.888 4.740 -0.000 0.000 0.294 285 N C -0.618 174.892 175.510 -0.001 0.000 1.544 285 N CA -0.739 52.302 53.050 -0.015 0.000 0.872 285 N CB -0.522 37.956 38.487 -0.015 0.000 1.670 285 N HN -0.366 nan 8.380 nan 0.000 0.551 286 N N -1.085 117.618 118.700 0.004 0.000 2.282 286 N HA 0.248 4.988 4.740 -0.000 0.000 0.240 286 N C -1.059 174.460 175.510 0.015 0.000 1.182 286 N CA -0.328 52.729 53.050 0.012 0.000 0.874 286 N CB -0.320 38.176 38.487 0.015 0.000 1.126 286 N HN 0.418 nan 8.380 nan 0.000 0.516 287 N N 0.675 119.383 118.700 0.014 0.000 2.415 287 N HA 0.146 4.886 4.740 -0.000 0.000 0.248 287 N C 0.623 176.149 175.510 0.026 0.000 1.271 287 N CA -0.021 53.040 53.050 0.019 0.000 0.913 287 N CB 1.203 39.700 38.487 0.017 0.000 1.129 287 N HN 0.089 nan 8.380 nan 0.000 0.444 288 L N 0.744 121.987 121.223 0.033 0.000 2.475 288 L HA 0.198 4.538 4.340 -0.000 0.000 0.250 288 L C 0.501 177.400 176.870 0.048 0.000 1.224 288 L CA -0.578 54.288 54.840 0.042 0.000 0.821 288 L CB 0.124 42.213 42.059 0.049 0.000 1.141 288 L HN 0.226 nan 8.230 nan 0.000 0.494 289 L N 0.000 121.259 121.223 0.061 0.000 2.949 289 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 289 L CA 0.000 54.887 54.840 0.078 0.000 0.813 289 L CB 0.000 42.119 42.059 0.101 0.000 0.961 289 L HN 0.000 nan 8.230 nan 0.000 0.502