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 2c3n_1_B DATA FIRST_RESID 2 DATA SEQUENCE GLELYLDLLS QPCRAVYIFA KKNDIPFELR IVDLIKGQHL SDAFAQVNPL DATA SEQUENCE KKVPALKDGD FTLTESVAIL LYLTRKYKVP DYWYPQDLQA RARVDEYLAW DATA SEQUENCE QHTTLRRSCL RALWHKVMFP VFLGEPVSPQ TLAATLAELD VTLQLLEDKF DATA SEQUENCE LQNKAFLTGP HISLADLVAI TELMHPVGAG CQVFEGRPKL ATWRQRVEAA DATA SEQUENCE VGEDLFQEAH EVILKAKDFP PADPTIKQKL MPWVLAMIR 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.937 3.960 -0.038 0.000 0.244 2 G C 0.000 174.997 174.900 0.161 0.000 0.946 2 G CA 0.000 45.175 45.100 0.125 0.000 0.502 3 L N 0.783 122.125 121.223 0.198 0.000 2.360 3 L HA 0.582 4.899 4.340 -0.038 0.000 0.276 3 L C 0.096 177.092 176.870 0.210 0.000 1.121 3 L CA 0.167 55.150 54.840 0.238 0.000 0.845 3 L CB 0.356 42.587 42.059 0.287 0.000 1.143 3 L HN 0.536 nan 8.230 nan 0.000 0.452 4 E N 5.768 126.084 120.200 0.192 0.000 2.222 4 E HA 0.499 4.827 4.350 -0.038 0.000 0.267 4 E C -1.336 175.339 176.600 0.125 0.000 0.884 4 E CA -0.667 55.808 56.400 0.126 0.000 0.764 4 E CB 2.079 31.824 29.700 0.074 0.000 1.169 4 E HN 0.529 nan 8.360 nan 0.000 0.413 5 L N 3.388 124.654 121.223 0.071 0.000 2.349 5 L HA 0.412 4.729 4.340 -0.038 0.000 0.278 5 L C -1.232 175.629 176.870 -0.014 0.000 0.996 5 L CA -0.902 53.962 54.840 0.040 0.000 0.825 5 L CB 0.784 42.738 42.059 -0.174 0.000 1.243 5 L HN 0.516 nan 8.230 nan 0.000 0.412 6 Y N 4.800 125.163 120.300 0.106 0.000 2.404 6 Y HA 0.610 5.141 4.550 -0.030 0.000 0.344 6 Y C -0.069 175.859 175.900 0.047 0.000 0.970 6 Y CA -0.311 57.859 58.100 0.116 0.000 1.180 6 Y CB 0.883 39.498 38.460 0.258 0.000 1.138 6 Y HN 0.342 nan 8.280 nan 0.000 0.510 7 L N 3.052 124.329 121.223 0.090 0.000 2.434 7 L HA 0.530 4.847 4.340 -0.038 0.000 0.260 7 L C -1.271 175.566 176.870 -0.054 0.000 0.983 7 L CA -0.961 53.892 54.840 0.021 0.000 0.820 7 L CB 2.613 44.693 42.059 0.035 0.000 1.361 7 L HN 0.375 nan 8.230 nan 0.000 0.410 8 D N 1.593 121.945 120.400 -0.080 0.000 2.696 8 D HA 0.336 4.953 4.640 -0.038 0.000 0.251 8 D C 0.372 176.611 176.300 -0.102 0.000 1.188 8 D CA -0.439 53.495 54.000 -0.109 0.000 0.876 8 D CB 2.244 42.965 40.800 -0.133 0.000 1.334 8 D HN 0.440 nan 8.370 nan 0.000 0.540 9 L N 3.246 124.380 121.223 -0.148 0.000 2.549 9 L HA -0.082 4.235 4.340 -0.038 0.000 0.229 9 L C 2.146 178.964 176.870 -0.087 0.000 1.158 9 L CA 0.166 54.899 54.840 -0.178 0.000 0.842 9 L CB -0.194 41.685 42.059 -0.299 0.000 0.952 9 L HN 0.407 nan 8.230 nan 0.000 0.452 10 L N -0.271 120.938 121.223 -0.023 0.000 2.131 10 L HA -0.078 4.239 4.340 -0.038 0.000 0.210 10 L C 1.610 178.582 176.870 0.170 0.000 1.092 10 L CA 1.038 55.917 54.840 0.066 0.000 0.759 10 L CB -0.283 41.825 42.059 0.081 0.000 0.903 10 L HN 0.178 nan 8.230 nan 0.000 0.435 11 S N -1.148 114.615 115.700 0.105 0.000 2.528 11 S HA 0.086 4.533 4.470 -0.038 0.000 0.277 11 S C 1.024 175.655 174.600 0.053 0.000 1.297 11 S CA -0.327 57.944 58.200 0.118 0.000 1.052 11 S CB 0.925 64.157 63.200 0.055 0.000 0.917 11 S HN 0.499 nan 8.310 nan 0.000 0.492 12 Q N 4.356 124.136 119.800 -0.034 0.000 2.014 12 Q HA -0.081 4.236 4.340 -0.038 0.000 0.207 12 Q C -0.635 175.353 176.000 -0.021 0.000 0.993 12 Q CA 1.882 57.636 55.803 -0.082 0.000 0.850 12 Q CB -1.005 27.587 28.738 -0.242 0.000 0.916 12 Q HN 0.676 nan 8.270 nan 0.000 0.417 13 P HA -0.111 nan 4.420 nan 0.000 0.218 13 P C 0.837 178.139 177.300 0.004 0.000 1.149 13 P CA 1.163 64.261 63.100 -0.003 0.000 0.817 13 P CB -0.100 31.602 31.700 0.002 0.000 0.785 14 C N 0.007 119.309 119.300 0.003 0.000 2.429 14 C HA -0.038 4.399 4.460 -0.038 0.000 0.277 14 C C 2.925 177.918 174.990 0.005 0.000 1.262 14 C CA 0.626 59.645 59.018 0.003 0.000 1.733 14 C CB -1.547 26.185 27.740 -0.014 0.000 2.010 14 C HN 0.264 nan 8.230 nan 0.000 0.483 15 R N 1.080 121.562 120.500 -0.031 0.000 2.091 15 R HA -0.129 4.188 4.340 -0.038 0.000 0.238 15 R C 2.412 178.731 176.300 0.032 0.000 1.136 15 R CA 1.648 57.711 56.100 -0.061 0.000 0.959 15 R CB -0.555 29.627 30.300 -0.197 0.000 0.856 15 R HN 0.565 nan 8.270 nan 0.000 0.437 16 A N 0.768 123.613 122.820 0.042 0.000 1.883 16 A HA -0.135 4.162 4.320 -0.038 0.000 0.217 16 A C 2.394 180.003 177.584 0.042 0.000 1.186 16 A CA 1.568 53.641 52.037 0.060 0.000 0.624 16 A CB -0.621 18.405 19.000 0.043 0.000 0.822 16 A HN 0.123 nan 8.150 nan 0.000 0.444 17 V N -1.500 118.424 119.914 0.017 0.000 2.295 17 V HA -0.278 3.819 4.120 -0.038 0.000 0.246 17 V C 2.349 178.437 176.094 -0.011 0.000 1.049 17 V CA 2.148 64.441 62.300 -0.012 0.000 1.024 17 V CB -1.024 30.778 31.823 -0.036 0.000 0.648 17 V HN 0.706 nan 8.190 nan 0.000 0.447 18 Y N 0.528 120.768 120.300 -0.101 0.000 2.145 18 Y HA -0.235 4.294 4.550 -0.035 0.000 0.286 18 Y C 2.279 178.155 175.900 -0.041 0.000 1.145 18 Y CA 1.837 59.883 58.100 -0.090 0.000 1.148 18 Y CB -0.227 38.201 38.460 -0.052 0.000 0.981 18 Y HN 0.163 nan 8.280 nan 0.000 0.507 19 I N -1.006 119.607 120.570 0.072 0.000 2.163 19 I HA -0.331 3.816 4.170 -0.038 0.000 0.243 19 I C 2.238 178.305 176.117 -0.084 0.000 1.085 19 I CA 1.708 63.017 61.300 0.014 0.000 1.347 19 I CB -0.596 37.482 38.000 0.130 0.000 1.044 19 I HN 0.247 nan 8.210 nan 0.000 0.408 20 F N 1.687 121.492 119.950 -0.241 0.000 2.095 20 F HA -0.279 4.228 4.527 -0.034 0.000 0.298 20 F C 2.472 178.055 175.800 -0.362 0.000 1.104 20 F CA 1.640 59.398 58.000 -0.405 0.000 1.232 20 F CB -0.368 38.368 39.000 -0.440 0.000 0.987 20 F HN 0.013 nan 8.300 nan 0.000 0.475 21 A N 0.168 122.818 122.820 -0.282 0.000 1.898 21 A HA -0.151 4.146 4.320 -0.038 0.000 0.216 21 A C 2.303 179.719 177.584 -0.280 0.000 1.181 21 A CA 1.506 53.329 52.037 -0.356 0.000 0.620 21 A CB -0.568 18.128 19.000 -0.507 0.000 0.819 21 A HN 0.287 nan 8.150 nan 0.000 0.442 22 K N -0.203 120.031 120.400 -0.276 0.000 2.057 22 K HA -0.135 4.162 4.320 -0.038 0.000 0.206 22 K C 2.068 178.558 176.600 -0.184 0.000 1.050 22 K CA 1.613 57.766 56.287 -0.224 0.000 0.935 22 K CB -0.261 32.023 32.500 -0.359 0.000 0.715 22 K HN 0.381 nan 8.250 nan 0.000 0.439 23 K N 1.728 122.010 120.400 -0.197 0.000 2.103 23 K HA -0.097 4.200 4.320 -0.038 0.000 0.207 23 K C 1.349 177.860 176.600 -0.148 0.000 1.048 23 K CA 1.476 57.695 56.287 -0.113 0.000 0.930 23 K CB -0.149 32.322 32.500 -0.049 0.000 0.716 23 K HN 0.078 nan 8.250 nan 0.000 0.444 24 N N 1.207 119.712 118.700 -0.325 0.000 2.383 24 N HA -0.036 4.681 4.740 -0.038 0.000 0.192 24 N C -0.786 174.602 175.510 -0.204 0.000 1.141 24 N CA 0.712 53.578 53.050 -0.307 0.000 0.851 24 N CB 0.236 38.356 38.487 -0.611 0.000 0.976 24 N HN 0.226 nan 8.380 nan 0.000 0.465 25 D N 0.674 120.973 120.400 -0.168 0.000 2.751 25 D HA -0.195 4.422 4.640 -0.038 0.000 0.233 25 D C -0.102 176.113 176.300 -0.143 0.000 1.149 25 D CA 0.608 54.536 54.000 -0.119 0.000 0.682 25 D CB -1.588 39.168 40.800 -0.074 0.000 1.068 25 D HN 0.410 nan 8.370 nan 0.000 0.429 26 I N 1.224 121.666 120.570 -0.212 0.000 2.452 26 I HA 0.103 4.250 4.170 -0.038 0.000 0.287 26 I C -1.709 174.335 176.117 -0.121 0.000 1.079 26 I CA -1.454 59.647 61.300 -0.331 0.000 1.387 26 I CB 0.438 38.086 38.000 -0.586 0.000 1.404 26 I HN -0.271 nan 8.210 nan 0.000 0.522 27 P HA 0.206 nan 4.420 nan 0.000 0.276 27 P C -0.987 176.360 177.300 0.079 0.000 1.243 27 P CA 0.088 63.163 63.100 -0.042 0.000 0.768 27 P CB 0.202 31.890 31.700 -0.020 0.000 0.856 28 F N -0.824 119.064 119.950 -0.104 0.000 2.668 28 F HA 0.580 5.100 4.527 -0.012 0.000 0.309 28 F C -0.728 175.042 175.800 -0.051 0.000 1.117 28 F CA -1.634 56.328 58.000 -0.064 0.000 0.951 28 F CB 1.579 40.536 39.000 -0.071 0.000 1.323 28 F HN 0.118 nan 8.300 nan 0.000 0.451 29 E N 2.410 122.634 120.200 0.040 0.000 2.130 29 E HA 0.383 4.710 4.350 -0.038 0.000 0.284 29 E C -1.272 175.365 176.600 0.061 0.000 1.018 29 E CA -0.856 55.506 56.400 -0.064 0.000 0.817 29 E CB 1.131 30.815 29.700 -0.027 0.000 1.078 29 E HN 0.745 nan 8.360 nan 0.000 0.396 30 L N 5.657 126.849 121.223 -0.052 0.000 2.369 30 L HA 0.230 4.547 4.340 -0.038 0.000 0.279 30 L C -0.790 176.059 176.870 -0.035 0.000 1.108 30 L CA 0.185 55.099 54.840 0.125 0.000 0.852 30 L CB 0.252 42.383 42.059 0.120 0.000 1.169 30 L HN 0.455 nan 8.230 nan 0.000 0.452 31 R N 6.815 127.234 120.500 -0.135 0.000 2.272 31 R HA 0.386 4.703 4.340 -0.038 0.000 0.323 31 R C -0.684 175.556 176.300 -0.099 0.000 1.002 31 R CA -0.632 55.331 56.100 -0.229 0.000 0.900 31 R CB 0.347 30.231 30.300 -0.693 0.000 1.151 31 R HN 0.663 nan 8.270 nan 0.000 0.507 32 I N 2.338 122.876 120.570 -0.053 0.000 2.598 32 I HA 0.005 4.152 4.170 -0.038 0.000 0.284 32 I C 0.362 176.446 176.117 -0.055 0.000 1.140 32 I CA 0.024 61.293 61.300 -0.052 0.000 1.420 32 I CB 0.635 38.600 38.000 -0.059 0.000 1.387 32 I HN 0.054 nan 8.210 nan 0.000 0.553 33 V N 5.765 125.617 119.914 -0.102 0.000 2.304 33 V HA 0.134 4.231 4.120 -0.038 0.000 0.278 33 V C -0.022 175.949 176.094 -0.205 0.000 1.018 33 V CA -0.638 61.545 62.300 -0.194 0.000 0.814 33 V CB 1.254 32.829 31.823 -0.413 0.000 1.021 33 V HN 0.628 nan 8.190 nan 0.000 0.440 34 D N 4.387 124.692 120.400 -0.159 0.000 2.367 34 D HA 0.157 4.775 4.640 -0.038 0.000 0.255 34 D C 1.150 177.342 176.300 -0.180 0.000 1.300 34 D CA 0.173 54.079 54.000 -0.157 0.000 0.959 34 D CB 1.096 41.824 40.800 -0.120 0.000 1.064 34 D HN 0.444 nan 8.370 nan 0.000 0.509 35 L N 3.623 124.692 121.223 -0.258 0.000 2.042 35 L HA -0.201 4.116 4.340 -0.038 0.000 0.210 35 L C 2.207 178.935 176.870 -0.237 0.000 1.076 35 L CA 0.601 55.202 54.840 -0.400 0.000 0.749 35 L CB -0.229 41.538 42.059 -0.487 0.000 0.893 35 L HN 0.428 nan 8.230 nan 0.000 0.432 36 I N -0.241 120.198 120.570 -0.218 0.000 2.756 36 I HA -0.206 3.941 4.170 -0.038 0.000 0.262 36 I C 1.965 178.077 176.117 -0.009 0.000 1.225 36 I CA 1.471 62.663 61.300 -0.180 0.000 1.472 36 I CB -0.278 37.367 38.000 -0.590 0.000 1.094 36 I HN 0.096 nan 8.210 nan 0.000 0.454 37 K N -0.255 120.106 120.400 -0.065 0.000 2.387 37 K HA 0.303 4.600 4.320 -0.038 0.000 0.198 37 K C 1.153 177.726 176.600 -0.046 0.000 1.022 37 K CA 0.580 56.846 56.287 -0.035 0.000 1.128 37 K CB 0.235 32.701 32.500 -0.056 0.000 0.853 37 K HN 0.286 nan 8.250 nan 0.000 0.523 38 G N 2.220 110.985 108.800 -0.058 0.000 2.179 38 G HA2 -0.361 3.576 3.960 -0.038 0.000 0.257 38 G HA3 -0.361 3.576 3.960 -0.038 0.000 0.257 38 G C 0.626 175.404 174.900 -0.203 0.000 1.010 38 G CA 0.745 45.742 45.100 -0.172 0.000 0.736 38 G HN 0.460 nan 8.290 nan 0.000 0.513 39 Q N -0.583 119.162 119.800 -0.091 0.000 2.226 39 Q HA -0.150 4.167 4.340 -0.038 0.000 0.204 39 Q C 2.235 178.148 176.000 -0.145 0.000 0.975 39 Q CA 1.989 57.728 55.803 -0.106 0.000 0.866 39 Q CB -0.177 28.496 28.738 -0.108 0.000 0.915 39 Q HN 1.023 nan 8.270 nan 0.000 0.440 40 H N -2.111 116.739 119.070 -0.368 0.000 2.524 40 H HA 0.023 4.556 4.556 -0.038 0.000 0.282 40 H C 1.292 176.607 175.328 -0.022 0.000 1.016 40 H CA 0.570 56.398 56.048 -0.366 0.000 1.270 40 H CB -0.012 29.468 29.762 -0.469 0.000 1.394 40 H HN 0.208 nan 8.280 nan 0.000 0.568 41 L N 1.380 122.309 121.223 -0.490 0.000 2.607 41 L HA 0.167 4.484 4.340 -0.038 0.000 0.228 41 L C 0.717 177.508 176.870 -0.130 0.000 1.123 41 L CA -0.384 54.259 54.840 -0.329 0.000 0.890 41 L CB 0.103 41.886 42.059 -0.461 0.000 1.103 41 L HN 0.283 nan 8.230 nan 0.000 0.468 42 S N -1.419 114.245 115.700 -0.060 0.000 2.603 42 S HA 0.067 4.515 4.470 -0.038 0.000 0.268 42 S C 0.801 175.410 174.600 0.015 0.000 1.317 42 S CA -0.673 57.519 58.200 -0.014 0.000 1.012 42 S CB 1.074 64.281 63.200 0.011 0.000 0.926 42 S HN 0.136 nan 8.310 nan 0.000 0.539 43 D N 1.785 122.184 120.400 -0.002 0.000 2.144 43 D HA -0.077 4.540 4.640 -0.038 0.000 0.199 43 D C 2.196 178.492 176.300 -0.006 0.000 0.984 43 D CA 1.591 55.584 54.000 -0.012 0.000 0.834 43 D CB -0.840 39.951 40.800 -0.015 0.000 0.955 43 D HN 0.702 nan 8.370 nan 0.000 0.465 44 A N 0.987 123.821 122.820 0.023 0.000 1.865 44 A HA -0.195 4.102 4.320 -0.038 0.000 0.217 44 A C 2.063 179.674 177.584 0.045 0.000 1.191 44 A CA 1.138 53.198 52.037 0.038 0.000 0.623 44 A CB -1.011 18.030 19.000 0.068 0.000 0.826 44 A HN 0.226 nan 8.150 nan 0.000 0.444 45 F N 0.779 120.692 119.950 -0.062 0.000 2.259 45 F HA 0.119 4.621 4.527 -0.041 0.000 0.298 45 F C 2.434 178.162 175.800 -0.120 0.000 1.088 45 F CA 0.662 58.605 58.000 -0.095 0.000 1.358 45 F CB -0.383 38.578 39.000 -0.065 0.000 1.040 45 F HN 0.233 nan 8.300 nan 0.000 0.505 46 A N -0.154 122.577 122.820 -0.149 0.000 2.076 46 A HA -0.196 4.101 4.320 -0.038 0.000 0.220 46 A C 2.107 179.534 177.584 -0.262 0.000 1.160 46 A CA 1.509 53.417 52.037 -0.214 0.000 0.653 46 A CB -0.548 18.395 19.000 -0.095 0.000 0.801 46 A HN 0.464 nan 8.150 nan 0.000 0.455 47 Q N -0.503 119.161 119.800 -0.227 0.000 2.123 47 Q HA -0.047 4.270 4.340 -0.038 0.000 0.199 47 Q C 2.316 178.140 176.000 -0.294 0.000 0.966 47 Q CA 1.422 57.103 55.803 -0.202 0.000 0.845 47 Q CB -0.563 28.102 28.738 -0.122 0.000 0.907 47 Q HN 0.528 nan 8.270 nan 0.000 0.439 48 V N 1.399 121.038 119.914 -0.458 0.000 2.270 48 V HA -0.119 3.978 4.120 -0.038 0.000 0.245 48 V C 0.966 176.660 176.094 -0.666 0.000 1.043 48 V CA 1.384 63.309 62.300 -0.625 0.000 1.014 48 V CB -0.266 30.978 31.823 -0.965 0.000 0.645 48 V HN 0.287 nan 8.190 nan 0.000 0.447 49 N N -0.467 117.697 118.700 -0.894 0.000 2.577 49 N HA 0.302 5.019 4.740 -0.038 0.000 0.275 49 N C -2.322 172.919 175.510 -0.448 0.000 1.091 49 N CA -1.936 50.734 53.050 -0.634 0.000 0.843 49 N CB 1.991 40.083 38.487 -0.657 0.000 1.295 49 N HN -0.083 nan 8.380 nan 0.000 0.530 50 P HA -0.081 nan 4.420 nan 0.000 0.220 50 P C 1.083 178.317 177.300 -0.109 0.000 1.144 50 P CA 1.039 64.035 63.100 -0.173 0.000 0.800 50 P CB 0.316 31.937 31.700 -0.132 0.000 0.772 51 L N -1.314 119.850 121.223 -0.097 0.000 2.465 51 L HA -0.005 4.312 4.340 -0.038 0.000 0.224 51 L C 0.676 177.577 176.870 0.052 0.000 1.145 51 L CA 0.596 55.423 54.840 -0.021 0.000 0.834 51 L CB -0.954 41.095 42.059 -0.017 0.000 0.944 51 L HN 0.006 nan 8.230 nan 0.000 0.451 52 K N 0.366 120.801 120.400 0.057 0.000 3.117 52 K HA -0.177 4.120 4.320 -0.038 0.000 0.269 52 K C -0.384 176.452 176.600 0.393 0.000 1.098 52 K CA 0.791 57.228 56.287 0.249 0.000 0.785 52 K CB -1.378 31.206 32.500 0.139 0.000 1.242 52 K HN 0.375 nan 8.250 nan 0.000 0.491 53 K N 0.057 120.694 120.400 0.394 0.000 2.443 53 K HA 0.613 4.911 4.320 -0.038 0.000 0.251 53 K C -0.272 176.513 176.600 0.308 0.000 0.972 53 K CA -0.957 55.510 56.287 0.300 0.000 0.833 53 K CB 2.533 35.155 32.500 0.204 0.000 1.317 53 K HN 0.041 nan 8.250 nan 0.000 0.441 54 V N -1.380 118.620 119.914 0.144 0.000 2.919 54 V HA 0.652 4.749 4.120 -0.038 0.000 0.316 54 V C -2.507 173.637 176.094 0.083 0.000 1.077 54 V CA -2.325 60.047 62.300 0.120 0.000 0.977 54 V CB 1.271 33.091 31.823 -0.005 0.000 1.039 54 V HN 0.661 nan 8.190 nan 0.000 0.441 55 P HA 0.609 nan 4.420 nan 0.000 0.276 55 P C -0.750 176.626 177.300 0.126 0.000 1.244 55 P CA -0.143 63.016 63.100 0.098 0.000 0.801 55 P CB 1.586 33.318 31.700 0.054 0.000 1.006 56 A N 2.096 125.030 122.820 0.191 0.000 2.475 56 A HA 0.671 4.969 4.320 -0.038 0.000 0.301 56 A C -1.319 176.370 177.584 0.174 0.000 1.059 56 A CA -0.838 51.271 52.037 0.120 0.000 0.710 56 A CB 1.207 20.238 19.000 0.052 0.000 1.288 56 A HN 0.608 nan 8.150 nan 0.000 0.408 57 L N 1.090 122.338 121.223 0.042 0.000 2.329 57 L HA 0.897 5.215 4.340 -0.038 0.000 0.279 57 L C -0.693 176.178 176.870 0.002 0.000 1.014 57 L CA -0.667 54.209 54.840 0.061 0.000 0.814 57 L CB 1.648 43.701 42.059 -0.009 0.000 1.257 57 L HN 0.620 nan 8.230 nan 0.000 0.424 58 K N 2.879 123.361 120.400 0.137 0.000 2.471 58 K HA 0.427 4.724 4.320 -0.038 0.000 0.252 58 K C -1.682 175.021 176.600 0.172 0.000 0.938 58 K CA -0.356 55.995 56.287 0.107 0.000 0.796 58 K CB 1.409 34.039 32.500 0.217 0.000 1.161 58 K HN 0.497 nan 8.250 nan 0.000 0.425 59 D N 3.781 124.296 120.400 0.191 0.000 2.405 59 D HA 0.386 5.004 4.640 -0.038 0.000 0.264 59 D C 0.483 176.916 176.300 0.222 0.000 1.240 59 D CA 0.886 55.045 54.000 0.266 0.000 0.893 59 D CB 0.639 41.689 40.800 0.416 0.000 1.198 59 D HN 0.739 nan 8.370 nan 0.000 0.514 60 G N 3.612 112.508 108.800 0.159 0.000 2.565 60 G HA2 -0.339 3.598 3.960 -0.038 0.000 0.295 60 G HA3 -0.339 3.598 3.960 -0.038 0.000 0.295 60 G C 0.687 175.652 174.900 0.107 0.000 1.165 60 G CA 0.366 45.539 45.100 0.122 0.000 0.977 60 G HN 0.462 nan 8.290 nan 0.000 0.546 61 D N 0.574 121.039 120.400 0.107 0.000 2.349 61 D HA 0.213 4.831 4.640 -0.038 0.000 0.224 61 D C 0.576 176.950 176.300 0.123 0.000 1.029 61 D CA 0.383 54.435 54.000 0.086 0.000 0.879 61 D CB 0.051 40.892 40.800 0.069 0.000 0.906 61 D HN 0.186 nan 8.370 nan 0.000 0.528 62 F N 1.619 121.559 119.950 -0.017 0.000 2.410 62 F HA 0.321 4.823 4.527 -0.042 0.000 0.349 62 F C -0.157 175.599 175.800 -0.073 0.000 1.117 62 F CA -0.377 57.589 58.000 -0.056 0.000 1.104 62 F CB 1.135 40.092 39.000 -0.070 0.000 1.122 62 F HN -0.396 nan 8.300 nan 0.000 0.483 63 T N 7.521 121.666 114.554 -0.680 0.000 2.841 63 T HA 0.653 4.980 4.350 -0.038 0.000 0.283 63 T C -1.658 172.494 174.700 -0.914 0.000 1.000 63 T CA -0.552 61.160 62.100 -0.646 0.000 0.977 63 T CB 1.604 70.258 68.868 -0.356 0.000 0.979 63 T HN 0.555 nan 8.240 nan 0.000 0.446 64 L N 3.233 124.033 121.223 -0.705 0.000 2.455 64 L HA 0.739 5.056 4.340 -0.038 0.000 0.264 64 L C 0.053 176.765 176.870 -0.264 0.000 0.968 64 L CA -0.159 54.353 54.840 -0.547 0.000 0.827 64 L CB 2.164 43.839 42.059 -0.641 0.000 1.317 64 L HN 0.877 nan 8.230 nan 0.000 0.407 65 T N 0.227 114.674 114.554 -0.178 0.000 2.905 65 T HA 0.792 5.119 4.350 -0.038 0.000 0.283 65 T C -1.006 173.665 174.700 -0.048 0.000 1.031 65 T CA -0.544 61.503 62.100 -0.089 0.000 1.002 65 T CB 1.501 70.324 68.868 -0.075 0.000 1.200 65 T HN 0.661 nan 8.240 nan 0.000 0.560 66 E N 0.038 120.232 120.200 -0.010 0.000 7.494 66 E HA -0.149 4.178 4.350 -0.038 0.000 0.356 66 E C 1.031 177.643 176.600 0.020 0.000 0.670 66 E CA 0.715 57.126 56.400 0.019 0.000 1.219 66 E CB -1.301 28.410 29.700 0.018 0.000 0.933 66 E HN 0.978 nan 8.360 nan 0.000 0.264 67 S N 0.946 116.663 115.700 0.029 0.000 2.374 67 S HA -0.207 4.240 4.470 -0.038 0.000 0.227 67 S C 1.774 176.362 174.600 -0.020 0.000 1.037 67 S CA 1.582 59.782 58.200 -0.001 0.000 1.024 67 S CB -0.159 63.038 63.200 -0.006 0.000 0.861 67 S HN 0.345 nan 8.310 nan 0.000 0.456 68 V N 2.645 122.572 119.914 0.022 0.000 2.295 68 V HA -0.119 3.978 4.120 -0.038 0.000 0.246 68 V C 3.140 179.218 176.094 -0.026 0.000 1.049 68 V CA 1.709 64.011 62.300 0.003 0.000 1.024 68 V CB -1.513 30.367 31.823 0.095 0.000 0.648 68 V HN 0.684 nan 8.190 nan 0.000 0.447 69 A N -0.308 122.517 122.820 0.008 0.000 1.933 69 A HA -0.149 4.148 4.320 -0.038 0.000 0.218 69 A C 2.173 179.780 177.584 0.039 0.000 1.175 69 A CA 1.778 53.826 52.037 0.018 0.000 0.628 69 A CB -0.504 18.509 19.000 0.022 0.000 0.814 69 A HN 0.516 nan 8.150 nan 0.000 0.444 70 I N -0.447 120.131 120.570 0.014 0.000 2.202 70 I HA -0.240 3.907 4.170 -0.038 0.000 0.242 70 I C 2.343 178.465 176.117 0.009 0.000 1.091 70 I CA 1.025 62.354 61.300 0.049 0.000 1.368 70 I CB -0.325 37.681 38.000 0.010 0.000 1.058 70 I HN 0.283 nan 8.210 nan 0.000 0.410 71 L N 0.164 121.301 121.223 -0.144 0.000 2.042 71 L HA -0.238 4.079 4.340 -0.038 0.000 0.210 71 L C 2.498 179.143 176.870 -0.375 0.000 1.076 71 L CA 1.421 56.019 54.840 -0.404 0.000 0.749 71 L CB -0.528 41.225 42.059 -0.509 0.000 0.893 71 L HN 0.269 nan 8.230 nan 0.000 0.432 72 L N -1.852 119.229 121.223 -0.236 0.000 2.109 72 L HA -0.234 4.083 4.340 -0.038 0.000 0.207 72 L C 2.580 179.420 176.870 -0.050 0.000 1.086 72 L CA 1.155 55.854 54.840 -0.235 0.000 0.760 72 L CB -0.601 41.313 42.059 -0.241 0.000 0.910 72 L HN 0.210 nan 8.230 nan 0.000 0.437 73 Y N 0.788 121.058 120.300 -0.050 0.000 2.145 73 Y HA -0.247 4.278 4.550 -0.041 0.000 0.286 73 Y C 2.352 178.303 175.900 0.086 0.000 1.145 73 Y CA 1.551 59.673 58.100 0.036 0.000 1.148 73 Y CB -0.031 38.504 38.460 0.124 0.000 0.981 73 Y HN -0.002 nan 8.280 nan 0.000 0.507 74 L N -0.879 120.415 121.223 0.118 0.000 2.093 74 L HA -0.210 4.107 4.340 -0.038 0.000 0.208 74 L C 2.366 179.380 176.870 0.240 0.000 1.085 74 L CA 1.599 56.574 54.840 0.224 0.000 0.755 74 L CB -0.939 41.313 42.059 0.321 0.000 0.904 74 L HN 0.204 nan 8.230 nan 0.000 0.435 75 T N -0.319 114.324 114.554 0.148 0.000 2.665 75 T HA -0.221 4.106 4.350 -0.038 0.000 0.268 75 T C 2.062 176.811 174.700 0.081 0.000 1.035 75 T CA 1.581 63.784 62.100 0.173 0.000 1.151 75 T CB -0.136 68.755 68.868 0.038 0.000 0.862 75 T HN 0.321 nan 8.240 nan 0.000 0.438 76 R N 0.563 121.048 120.500 -0.025 0.000 2.062 76 R HA 0.108 4.425 4.340 -0.038 0.000 0.226 76 R C 2.601 178.792 176.300 -0.182 0.000 1.125 76 R CA 1.021 57.078 56.100 -0.072 0.000 0.966 76 R CB -0.179 30.075 30.300 -0.078 0.000 0.861 76 R HN 0.271 nan 8.270 nan 0.000 0.433 77 K N 0.124 120.298 120.400 -0.377 0.000 2.097 77 K HA -0.148 4.150 4.320 -0.038 0.000 0.206 77 K C 0.810 177.044 176.600 -0.610 0.000 1.049 77 K CA 1.456 57.376 56.287 -0.612 0.000 0.933 77 K CB 0.097 31.983 32.500 -1.024 0.000 0.717 77 K HN 0.207 nan 8.250 nan 0.000 0.442 78 Y N 0.563 120.790 120.300 -0.122 0.000 2.485 78 Y HA 0.236 4.764 4.550 -0.037 0.000 0.260 78 Y C -0.341 175.533 175.900 -0.042 0.000 1.173 78 Y CA -0.264 57.794 58.100 -0.070 0.000 1.252 78 Y CB 0.542 38.964 38.460 -0.064 0.000 1.123 78 Y HN -0.064 nan 8.280 nan 0.000 0.524 79 K N 0.311 120.735 120.400 0.040 0.000 3.148 79 K HA -0.166 4.131 4.320 -0.038 0.000 0.267 79 K C -0.018 176.624 176.600 0.070 0.000 0.996 79 K CA 0.497 56.808 56.287 0.040 0.000 0.737 79 K CB -2.076 30.432 32.500 0.014 0.000 1.308 79 K HN 0.271 nan 8.250 nan 0.000 0.470 80 V N -2.229 117.744 119.914 0.098 0.000 3.237 80 V HA 0.294 4.391 4.120 -0.038 0.000 0.305 80 V C -1.602 174.554 176.094 0.104 0.000 1.096 80 V CA -1.382 60.974 62.300 0.093 0.000 1.130 80 V CB 0.216 32.093 31.823 0.090 0.000 1.048 80 V HN 0.044 nan 8.190 nan 0.000 0.484 81 P HA 0.115 nan 4.420 nan 0.000 0.265 81 P C 0.028 177.286 177.300 -0.070 0.000 1.187 81 P CA 0.210 63.310 63.100 -0.000 0.000 0.766 81 P CB 0.278 31.957 31.700 -0.035 0.000 0.820 82 D N 1.021 121.412 120.400 -0.015 0.000 2.348 82 D HA -0.121 4.497 4.640 -0.038 0.000 0.216 82 D C 1.635 177.919 176.300 -0.027 0.000 0.970 82 D CA 1.009 55.023 54.000 0.023 0.000 0.889 82 D CB -0.321 40.503 40.800 0.040 0.000 0.912 82 D HN 0.563 nan 8.370 nan 0.000 0.524 83 Y N -1.622 118.566 120.300 -0.188 0.000 2.333 83 Y HA -0.154 4.373 4.550 -0.038 0.000 0.290 83 Y C 1.956 177.778 175.900 -0.129 0.000 1.144 83 Y CA 0.505 58.333 58.100 -0.454 0.000 1.228 83 Y CB -1.251 36.670 38.460 -0.898 0.000 0.985 83 Y HN -0.041 nan 8.280 nan 0.000 0.542 84 W N -0.755 120.370 121.300 -0.291 0.000 2.363 84 W HA -0.151 4.487 4.660 -0.036 0.000 0.296 84 W C 0.395 177.057 176.519 0.238 0.000 1.212 84 W CA 1.311 58.662 57.345 0.010 0.000 1.260 84 W CB -0.160 29.324 29.460 0.040 0.000 1.131 84 W HN 0.097 nan 8.180 nan 0.000 0.530 85 Y N 0.492 120.943 120.300 0.252 0.000 2.563 85 Y HA 0.351 4.879 4.550 -0.037 0.000 0.351 85 Y C -2.601 173.388 175.900 0.150 0.000 1.087 85 Y CA -3.864 54.350 58.100 0.191 0.000 1.272 85 Y CB 0.170 38.720 38.460 0.150 0.000 1.095 85 Y HN -0.329 nan 8.280 nan 0.000 0.620 86 P HA 0.048 nan 4.420 nan 0.000 0.268 86 P C 0.471 177.738 177.300 -0.055 0.000 1.208 86 P CA 0.169 63.301 63.100 0.053 0.000 0.777 86 P CB 1.013 32.802 31.700 0.147 0.000 0.875 87 Q N 0.683 120.480 119.800 -0.005 0.000 2.172 87 Q HA -0.103 4.214 4.340 -0.038 0.000 0.200 87 Q C 0.256 176.240 176.000 -0.026 0.000 0.964 87 Q CA 0.975 56.767 55.803 -0.019 0.000 0.855 87 Q CB -0.535 28.209 28.738 0.010 0.000 0.918 87 Q HN 0.628 nan 8.270 nan 0.000 0.444 88 D N 0.374 120.771 120.400 -0.005 0.000 2.533 88 D HA -0.072 4.545 4.640 -0.038 0.000 0.236 88 D C 1.148 177.433 176.300 -0.025 0.000 1.137 88 D CA 0.053 54.052 54.000 -0.002 0.000 0.867 88 D CB 0.618 41.429 40.800 0.019 0.000 1.170 88 D HN -0.025 nan 8.370 nan 0.000 0.474 89 L N 2.710 123.922 121.223 -0.019 0.000 2.093 89 L HA -0.178 4.139 4.340 -0.038 0.000 0.208 89 L C 2.252 179.111 176.870 -0.019 0.000 1.085 89 L CA 1.064 55.889 54.840 -0.025 0.000 0.755 89 L CB -0.461 41.594 42.059 -0.008 0.000 0.904 89 L HN 0.633 nan 8.230 nan 0.000 0.435 90 Q N -0.240 119.558 119.800 -0.005 0.000 2.137 90 Q HA -0.084 4.233 4.340 -0.038 0.000 0.198 90 Q C 2.481 178.485 176.000 0.007 0.000 0.960 90 Q CA 1.264 57.070 55.803 0.005 0.000 0.847 90 Q CB -0.125 28.617 28.738 0.008 0.000 0.915 90 Q HN 0.526 nan 8.270 nan 0.000 0.448 91 A N 1.330 124.150 122.820 0.000 0.000 1.902 91 A HA -0.214 4.084 4.320 -0.038 0.000 0.217 91 A C 2.020 179.597 177.584 -0.012 0.000 1.181 91 A CA 1.483 53.523 52.037 0.006 0.000 0.623 91 A CB -0.464 18.550 19.000 0.023 0.000 0.818 91 A HN 0.212 nan 8.150 nan 0.000 0.443 92 R N -0.392 120.057 120.500 -0.085 0.000 2.081 92 R HA -0.097 4.220 4.340 -0.038 0.000 0.235 92 R C 2.283 178.539 176.300 -0.073 0.000 1.131 92 R CA 1.415 57.377 56.100 -0.230 0.000 0.960 92 R CB -0.408 29.666 30.300 -0.377 0.000 0.856 92 R HN 0.437 nan 8.270 nan 0.000 0.436 93 A N 0.973 123.787 122.820 -0.009 0.000 1.940 93 A HA -0.169 4.128 4.320 -0.038 0.000 0.219 93 A C 2.136 179.787 177.584 0.110 0.000 1.176 93 A CA 1.395 53.467 52.037 0.059 0.000 0.631 93 A CB -0.451 18.578 19.000 0.047 0.000 0.814 93 A HN 0.349 nan 8.150 nan 0.000 0.446 94 R N -0.770 119.792 120.500 0.103 0.000 2.096 94 R HA -0.077 4.240 4.340 -0.038 0.000 0.235 94 R C 2.025 178.459 176.300 0.224 0.000 1.127 94 R CA 1.421 57.616 56.100 0.158 0.000 0.968 94 R CB -0.456 29.915 30.300 0.119 0.000 0.861 94 R HN 0.427 nan 8.270 nan 0.000 0.440 95 V N 1.357 121.395 119.914 0.206 0.000 2.307 95 V HA -0.226 3.872 4.120 -0.038 0.000 0.245 95 V C 1.596 177.886 176.094 0.326 0.000 1.045 95 V CA 1.856 64.329 62.300 0.289 0.000 1.024 95 V CB -0.403 31.631 31.823 0.352 0.000 0.651 95 V HN 0.248 nan 8.190 nan 0.000 0.449 96 D N -0.268 120.315 120.400 0.305 0.000 2.149 96 D HA -0.200 4.417 4.640 -0.038 0.000 0.198 96 D C 2.140 178.583 176.300 0.240 0.000 0.990 96 D CA 1.531 55.698 54.000 0.277 0.000 0.839 96 D CB -0.138 40.806 40.800 0.239 0.000 0.948 96 D HN 0.613 nan 8.370 nan 0.000 0.460 97 E N -0.487 119.860 120.200 0.245 0.000 2.031 97 E HA -0.229 4.098 4.350 -0.038 0.000 0.193 97 E C 2.160 178.948 176.600 0.314 0.000 0.994 97 E CA 0.746 57.308 56.400 0.270 0.000 0.800 97 E CB -0.187 29.676 29.700 0.271 0.000 0.752 97 E HN 0.315 nan 8.360 nan 0.000 0.447 98 Y N 1.151 121.573 120.300 0.204 0.000 2.145 98 Y HA -0.191 4.336 4.550 -0.039 0.000 0.286 98 Y C 2.013 177.966 175.900 0.088 0.000 1.145 98 Y CA 1.729 59.797 58.100 -0.053 0.000 1.148 98 Y CB -0.207 38.065 38.460 -0.315 0.000 0.981 98 Y HN 0.037 nan 8.280 nan 0.000 0.507 99 L N -0.398 120.900 121.223 0.124 0.000 2.083 99 L HA -0.216 4.101 4.340 -0.038 0.000 0.209 99 L C 2.750 179.613 176.870 -0.011 0.000 1.083 99 L CA 1.084 55.945 54.840 0.034 0.000 0.752 99 L CB -0.949 41.196 42.059 0.144 0.000 0.899 99 L HN 0.361 nan 8.230 nan 0.000 0.433 100 A N -0.497 122.409 122.820 0.143 0.000 1.873 100 A HA -0.261 4.036 4.320 -0.038 0.000 0.215 100 A C 2.001 179.709 177.584 0.206 0.000 1.186 100 A CA 1.354 53.538 52.037 0.245 0.000 0.616 100 A CB -1.060 18.063 19.000 0.204 0.000 0.823 100 A HN 0.600 nan 8.150 nan 0.000 0.442 101 W N 1.763 123.025 121.300 -0.064 0.000 2.338 101 W HA -0.318 4.318 4.660 -0.039 0.000 0.304 101 W C 2.337 178.740 176.519 -0.193 0.000 1.212 101 W CA 2.575 59.872 57.345 -0.079 0.000 1.264 101 W CB -0.236 29.226 29.460 0.003 0.000 1.142 101 W HN 0.564 nan 8.180 nan 0.000 0.512 102 Q N -1.014 118.529 119.800 -0.428 0.000 2.226 102 Q HA -0.217 4.101 4.340 -0.038 0.000 0.204 102 Q C 1.588 177.283 176.000 -0.508 0.000 0.975 102 Q CA 2.299 57.698 55.803 -0.673 0.000 0.866 102 Q CB -1.364 27.022 28.738 -0.586 0.000 0.915 102 Q HN 0.498 nan 8.270 nan 0.000 0.440 103 H N 0.604 119.494 119.070 -0.300 0.000 2.353 103 H HA -0.107 4.426 4.556 -0.038 0.000 0.298 103 H C 1.552 176.738 175.328 -0.237 0.000 1.103 103 H CA 2.284 58.208 56.048 -0.207 0.000 1.293 103 H CB 0.013 29.693 29.762 -0.136 0.000 1.372 103 H HN 0.657 nan 8.280 nan 0.000 0.501 104 T N -3.118 111.328 114.554 -0.180 0.000 3.054 104 T HA 0.123 4.450 4.350 -0.038 0.000 0.255 104 T C 1.300 175.826 174.700 -0.290 0.000 1.035 104 T CA 0.498 62.483 62.100 -0.190 0.000 0.941 104 T CB 0.239 69.022 68.868 -0.143 0.000 1.026 104 T HN 0.487 nan 8.240 nan 0.000 0.533 105 T N -0.155 114.105 114.554 -0.490 0.000 3.257 105 T HA 0.326 4.653 4.350 -0.038 0.000 0.176 105 T C 1.422 175.871 174.700 -0.419 0.000 0.892 105 T CA -0.011 61.747 62.100 -0.569 0.000 1.147 105 T CB -0.697 67.455 68.868 -1.195 0.000 1.840 105 T HN 0.034 nan 8.240 nan 0.000 0.375 106 L N 1.697 122.589 121.223 -0.552 0.000 2.046 106 L HA 0.205 4.522 4.340 -0.038 0.000 0.208 106 L C 2.906 179.706 176.870 -0.116 0.000 1.077 106 L CA 1.802 56.532 54.840 -0.184 0.000 0.747 106 L CB -0.821 41.246 42.059 0.014 0.000 0.896 106 L HN 0.413 nan 8.230 nan 0.000 0.432 107 R N -0.562 119.833 120.500 -0.174 0.000 2.096 107 R HA -0.245 4.072 4.340 -0.038 0.000 0.240 107 R C 2.560 178.802 176.300 -0.097 0.000 1.139 107 R CA 2.124 58.150 56.100 -0.123 0.000 0.952 107 R CB -0.329 29.885 30.300 -0.143 0.000 0.854 107 R HN 0.372 nan 8.270 nan 0.000 0.436 108 R N 0.166 120.598 120.500 -0.113 0.000 2.075 108 R HA -0.095 4.223 4.340 -0.038 0.000 0.232 108 R C 2.400 178.674 176.300 -0.043 0.000 1.126 108 R CA 1.910 57.960 56.100 -0.083 0.000 0.963 108 R CB -0.154 30.089 30.300 -0.096 0.000 0.858 108 R HN 0.381 nan 8.270 nan 0.000 0.435 109 S N -0.371 115.306 115.700 -0.037 0.000 2.368 109 S HA -0.143 4.304 4.470 -0.038 0.000 0.224 109 S C 2.298 176.924 174.600 0.044 0.000 1.029 109 S CA 1.122 59.328 58.200 0.009 0.000 0.988 109 S CB -0.707 62.503 63.200 0.016 0.000 0.838 109 S HN 0.450 nan 8.310 nan 0.000 0.462 110 C N 1.052 120.379 119.300 0.045 0.000 2.429 110 C HA 0.131 4.568 4.460 -0.038 0.000 0.277 110 C C 2.611 177.699 174.990 0.163 0.000 1.262 110 C CA 0.638 59.715 59.018 0.098 0.000 1.733 110 C CB -1.540 26.252 27.740 0.087 0.000 2.010 110 C HN 0.606 nan 8.230 nan 0.000 0.483 111 L N 1.181 122.472 121.223 0.113 0.000 2.017 111 L HA -0.099 4.218 4.340 -0.038 0.000 0.208 111 L C 2.664 179.664 176.870 0.215 0.000 1.073 111 L CA 1.818 56.787 54.840 0.215 0.000 0.745 111 L CB -0.657 41.431 42.059 0.049 0.000 0.894 111 L HN 0.243 nan 8.230 nan 0.000 0.432 112 R N -0.831 119.706 120.500 0.062 0.000 2.096 112 R HA -0.105 4.212 4.340 -0.038 0.000 0.235 112 R C 2.245 178.559 176.300 0.024 0.000 1.127 112 R CA 1.146 57.218 56.100 -0.048 0.000 0.968 112 R CB -0.621 29.634 30.300 -0.074 0.000 0.861 112 R HN 0.513 nan 8.270 nan 0.000 0.440 113 A N 1.341 124.219 122.820 0.097 0.000 1.883 113 A HA -0.183 4.114 4.320 -0.038 0.000 0.217 113 A C 2.095 179.732 177.584 0.088 0.000 1.186 113 A CA 1.250 53.354 52.037 0.112 0.000 0.624 113 A CB -0.554 18.503 19.000 0.095 0.000 0.822 113 A HN 0.259 nan 8.150 nan 0.000 0.444 114 L N -1.666 119.595 121.223 0.063 0.000 2.017 114 L HA -0.121 4.197 4.340 -0.038 0.000 0.208 114 L C 2.197 178.947 176.870 -0.200 0.000 1.073 114 L CA 1.956 56.725 54.840 -0.117 0.000 0.745 114 L CB -0.662 41.239 42.059 -0.263 0.000 0.894 114 L HN 0.578 nan 8.230 nan 0.000 0.432 115 W N -0.629 120.629 121.300 -0.069 0.000 2.407 115 W HA -0.092 4.545 4.660 -0.039 0.000 0.305 115 W C 2.729 179.358 176.519 0.182 0.000 1.196 115 W CA 1.858 59.131 57.345 -0.120 0.000 1.311 115 W CB -0.572 28.673 29.460 -0.358 0.000 1.135 115 W HN 0.277 nan 8.180 nan 0.000 0.514 116 H N -0.873 118.438 119.070 0.400 0.000 2.428 116 H HA -0.083 4.451 4.556 -0.037 0.000 0.296 116 H C 2.059 177.514 175.328 0.211 0.000 1.062 116 H CA 1.242 57.504 56.048 0.357 0.000 1.350 116 H CB 0.132 30.038 29.762 0.240 0.000 1.403 116 H HN 0.063 nan 8.280 nan 0.000 0.533 117 K N 0.160 120.708 120.400 0.246 0.000 2.137 117 K HA -0.032 4.265 4.320 -0.038 0.000 0.202 117 K C 1.342 177.989 176.600 0.078 0.000 1.052 117 K CA 0.889 57.254 56.287 0.129 0.000 0.961 117 K CB 0.576 33.120 32.500 0.075 0.000 0.741 117 K HN 0.051 nan 8.250 nan 0.000 0.452 118 V N -0.338 119.588 119.914 0.019 0.000 3.161 118 V HA -0.022 4.075 4.120 -0.038 0.000 0.221 118 V C 1.845 177.902 176.094 -0.061 0.000 1.296 118 V CA 0.090 62.362 62.300 -0.046 0.000 1.306 118 V CB 0.198 31.936 31.823 -0.141 0.000 1.171 118 V HN 0.171 nan 8.190 nan 0.000 0.513 119 M N -0.644 118.795 119.600 -0.269 0.000 2.254 119 M HA -0.011 4.446 4.480 -0.038 0.000 0.265 119 M C 2.112 178.434 176.300 0.037 0.000 1.066 119 M CA 1.817 56.868 55.300 -0.415 0.000 1.123 119 M CB -0.928 30.682 32.600 -1.651 0.000 1.388 119 M HN 0.306 nan 8.290 nan 0.000 0.425 120 F N 1.312 121.410 119.950 0.247 0.000 2.039 120 F HA -0.140 4.365 4.527 -0.037 0.000 0.294 120 F C -0.124 175.787 175.800 0.184 0.000 1.130 120 F CA 1.591 59.779 58.000 0.314 0.000 1.189 120 F CB -1.885 37.312 39.000 0.327 0.000 0.983 120 F HN 0.109 nan 8.300 nan 0.000 0.471 121 P HA -0.118 nan 4.420 nan 0.000 0.215 121 P C 1.691 179.085 177.300 0.156 0.000 1.157 121 P CA 1.654 64.872 63.100 0.196 0.000 0.863 121 P CB -0.134 31.652 31.700 0.143 0.000 0.787 122 V N -0.509 119.494 119.914 0.149 0.000 2.251 122 V HA -0.160 3.937 4.120 -0.038 0.000 0.237 122 V C 2.511 178.721 176.094 0.193 0.000 1.040 122 V CA 1.597 63.980 62.300 0.137 0.000 1.005 122 V CB -1.553 30.330 31.823 0.100 0.000 0.645 122 V HN -0.078 nan 8.190 nan 0.000 0.458 123 F N 0.437 120.433 119.950 0.077 0.000 2.102 123 F HA -0.098 4.407 4.527 -0.037 0.000 0.298 123 F C 1.907 177.790 175.800 0.138 0.000 1.105 123 F CA 1.767 59.830 58.000 0.105 0.000 1.239 123 F CB -0.195 38.857 39.000 0.086 0.000 0.991 123 F HN -0.017 nan 8.300 nan 0.000 0.474 124 L N -0.337 120.920 121.223 0.056 0.000 2.567 124 L HA 0.243 4.560 4.340 -0.038 0.000 0.225 124 L C 1.481 178.392 176.870 0.069 0.000 1.119 124 L CA 0.530 55.375 54.840 0.008 0.000 0.871 124 L CB -0.871 41.367 42.059 0.298 0.000 1.036 124 L HN 0.392 nan 8.230 nan 0.000 0.459 125 G N 1.080 109.937 108.800 0.095 0.000 2.273 125 G HA2 -0.238 3.699 3.960 -0.038 0.000 0.280 125 G HA3 -0.238 3.699 3.960 -0.038 0.000 0.280 125 G C -0.022 174.938 174.900 0.100 0.000 1.047 125 G CA 0.016 45.164 45.100 0.079 0.000 0.869 125 G HN 0.349 nan 8.290 nan 0.000 0.502 126 E N 0.319 120.618 120.200 0.164 0.000 2.207 126 E HA 0.311 4.638 4.350 -0.038 0.000 0.250 126 E C -2.508 174.147 176.600 0.091 0.000 0.890 126 E CA -1.801 54.675 56.400 0.125 0.000 0.749 126 E CB 1.957 31.772 29.700 0.192 0.000 1.193 126 E HN 0.165 nan 8.360 nan 0.000 0.423 127 P HA 0.004 nan 4.420 nan 0.000 0.266 127 P C -0.465 176.814 177.300 -0.034 0.000 1.195 127 P CA -0.068 63.044 63.100 0.020 0.000 0.768 127 P CB 0.694 32.396 31.700 0.003 0.000 0.838 128 V N 2.443 122.347 119.914 -0.017 0.000 2.459 128 V HA 0.299 4.396 4.120 -0.038 0.000 0.295 128 V C 0.458 176.510 176.094 -0.070 0.000 1.029 128 V CA -0.616 61.637 62.300 -0.079 0.000 0.874 128 V CB 1.623 33.432 31.823 -0.022 0.000 0.985 128 V HN 0.663 nan 8.190 nan 0.000 0.438 129 S N 5.442 121.079 115.700 -0.104 0.000 2.562 129 S HA 0.216 4.664 4.470 -0.038 0.000 0.281 129 S C -1.526 173.036 174.600 -0.064 0.000 1.333 129 S CA -0.639 57.517 58.200 -0.074 0.000 1.052 129 S CB 1.027 64.181 63.200 -0.078 0.000 0.884 129 S HN 0.573 nan 8.310 nan 0.000 0.506 130 P HA -0.172 nan 4.420 nan 0.000 0.217 130 P C 1.597 178.881 177.300 -0.027 0.000 1.148 130 P CA 1.250 64.337 63.100 -0.022 0.000 0.828 130 P CB 0.001 31.695 31.700 -0.011 0.000 0.783 131 Q N -0.735 119.044 119.800 -0.035 0.000 2.084 131 Q HA -0.145 4.172 4.340 -0.038 0.000 0.202 131 Q C 1.773 177.745 176.000 -0.047 0.000 0.978 131 Q CA 2.154 57.938 55.803 -0.032 0.000 0.844 131 Q CB -0.608 28.111 28.738 -0.032 0.000 0.898 131 Q HN 0.137 nan 8.270 nan 0.000 0.426 132 T N 1.578 116.077 114.554 -0.091 0.000 2.674 132 T HA -0.167 4.160 4.350 -0.038 0.000 0.265 132 T C 1.734 176.359 174.700 -0.125 0.000 1.039 132 T CA 1.300 63.307 62.100 -0.156 0.000 1.150 132 T CB -0.354 68.334 68.868 -0.300 0.000 0.864 132 T HN 0.240 nan 8.240 nan 0.000 0.427 133 L N 1.459 122.626 121.223 -0.094 0.000 2.012 133 L HA 0.024 4.341 4.340 -0.038 0.000 0.210 133 L C 2.625 179.518 176.870 0.038 0.000 1.073 133 L CA 1.975 56.820 54.840 0.008 0.000 0.748 133 L CB -1.117 40.960 42.059 0.030 0.000 0.891 133 L HN 0.237 nan 8.230 nan 0.000 0.431 134 A N -0.501 122.328 122.820 0.015 0.000 1.908 134 A HA -0.187 4.110 4.320 -0.038 0.000 0.218 134 A C 2.458 180.061 177.584 0.032 0.000 1.181 134 A CA 2.156 54.207 52.037 0.023 0.000 0.627 134 A CB -1.251 17.755 19.000 0.011 0.000 0.818 134 A HN 0.596 nan 8.150 nan 0.000 0.445 135 A N -1.325 121.510 122.820 0.026 0.000 1.902 135 A HA -0.075 4.223 4.320 -0.038 0.000 0.217 135 A C 2.320 179.944 177.584 0.067 0.000 1.181 135 A CA 2.291 54.350 52.037 0.037 0.000 0.623 135 A CB -1.279 17.736 19.000 0.025 0.000 0.818 135 A HN 0.431 nan 8.150 nan 0.000 0.443 136 T N 0.535 115.152 114.554 0.104 0.000 2.708 136 T HA -0.092 4.235 4.350 -0.038 0.000 0.266 136 T C 1.790 176.557 174.700 0.112 0.000 1.037 136 T CA 1.585 63.781 62.100 0.159 0.000 1.146 136 T CB -0.380 68.686 68.868 0.329 0.000 0.865 136 T HN 0.378 nan 8.240 nan 0.000 0.435 137 L N 0.616 121.896 121.223 0.094 0.000 2.109 137 L HA 0.028 4.345 4.340 -0.038 0.000 0.207 137 L C 3.042 179.944 176.870 0.054 0.000 1.086 137 L CA 0.913 55.795 54.840 0.070 0.000 0.760 137 L CB -0.685 41.411 42.059 0.061 0.000 0.910 137 L HN 0.221 nan 8.230 nan 0.000 0.437 138 A N -0.318 122.532 122.820 0.050 0.000 1.933 138 A HA -0.228 4.069 4.320 -0.038 0.000 0.218 138 A C 2.340 179.952 177.584 0.047 0.000 1.175 138 A CA 1.634 53.696 52.037 0.042 0.000 0.628 138 A CB -0.406 18.615 19.000 0.036 0.000 0.814 138 A HN 0.355 nan 8.150 nan 0.000 0.444 139 E N -0.322 119.910 120.200 0.054 0.000 2.106 139 E HA -0.153 4.174 4.350 -0.038 0.000 0.192 139 E C 1.951 178.586 176.600 0.057 0.000 0.984 139 E CA 1.197 57.629 56.400 0.054 0.000 0.806 139 E CB -0.248 29.485 29.700 0.055 0.000 0.750 139 E HN 0.458 nan 8.360 nan 0.000 0.458 140 L N 1.888 123.146 121.223 0.058 0.000 2.042 140 L HA -0.185 4.132 4.340 -0.038 0.000 0.210 140 L C 2.064 178.966 176.870 0.053 0.000 1.076 140 L CA 2.083 56.957 54.840 0.056 0.000 0.749 140 L CB -0.697 41.394 42.059 0.054 0.000 0.893 140 L HN 0.051 nan 8.230 nan 0.000 0.432 141 D N -0.840 119.587 120.400 0.045 0.000 2.104 141 D HA -0.177 4.440 4.640 -0.038 0.000 0.194 141 D C 2.169 178.499 176.300 0.050 0.000 0.994 141 D CA 1.766 55.789 54.000 0.038 0.000 0.830 141 D CB 0.071 40.890 40.800 0.032 0.000 0.959 141 D HN 0.271 nan 8.370 nan 0.000 0.452 142 V N 0.630 120.579 119.914 0.058 0.000 2.332 142 V HA -0.252 3.846 4.120 -0.038 0.000 0.248 142 V C 2.585 178.744 176.094 0.108 0.000 1.055 142 V CA 2.168 64.510 62.300 0.071 0.000 1.038 142 V CB -0.803 31.060 31.823 0.066 0.000 0.651 142 V HN 0.267 nan 8.190 nan 0.000 0.450 143 T N 0.108 114.736 114.554 0.123 0.000 2.904 143 T HA -0.023 4.304 4.350 -0.038 0.000 0.267 143 T C 1.851 176.683 174.700 0.220 0.000 1.059 143 T CA 1.125 63.347 62.100 0.204 0.000 1.137 143 T CB -0.208 68.750 68.868 0.150 0.000 0.879 143 T HN 0.308 nan 8.240 nan 0.000 0.467 144 L N 0.733 122.032 121.223 0.127 0.000 2.093 144 L HA -0.078 4.240 4.340 -0.038 0.000 0.208 144 L C 2.857 179.766 176.870 0.066 0.000 1.085 144 L CA 0.990 55.881 54.840 0.086 0.000 0.755 144 L CB -0.470 41.601 42.059 0.019 0.000 0.904 144 L HN 0.195 nan 8.230 nan 0.000 0.435 145 Q N 0.547 120.385 119.800 0.062 0.000 2.124 145 Q HA -0.162 4.155 4.340 -0.038 0.000 0.202 145 Q C 2.156 178.179 176.000 0.040 0.000 0.977 145 Q CA 1.618 57.444 55.803 0.039 0.000 0.850 145 Q CB -0.226 28.532 28.738 0.034 0.000 0.901 145 Q HN 0.448 nan 8.270 nan 0.000 0.429 146 L N -0.544 120.736 121.223 0.095 0.000 2.056 146 L HA -0.168 4.150 4.340 -0.038 0.000 0.207 146 L C 2.184 179.073 176.870 0.032 0.000 1.078 146 L CA 0.749 55.636 54.840 0.079 0.000 0.749 146 L CB -0.558 41.650 42.059 0.249 0.000 0.901 146 L HN 0.315 nan 8.230 nan 0.000 0.433 147 L N 0.032 121.339 121.223 0.141 0.000 2.043 147 L HA -0.260 4.057 4.340 -0.038 0.000 0.212 147 L C 2.416 179.291 176.870 0.009 0.000 1.075 147 L CA 1.891 56.814 54.840 0.138 0.000 0.752 147 L CB -0.475 41.663 42.059 0.130 0.000 0.891 147 L HN 0.248 nan 8.230 nan 0.000 0.432 148 E N -0.901 119.276 120.200 -0.037 0.000 2.046 148 E HA -0.178 4.149 4.350 -0.038 0.000 0.190 148 E C 1.739 178.283 176.600 -0.092 0.000 0.982 148 E CA 1.261 57.612 56.400 -0.081 0.000 0.800 148 E CB -0.122 29.546 29.700 -0.055 0.000 0.756 148 E HN 0.565 nan 8.360 nan 0.000 0.449 149 D N 0.421 120.767 120.400 -0.091 0.000 2.162 149 D HA -0.110 4.508 4.640 -0.038 0.000 0.203 149 D C 1.889 178.067 176.300 -0.203 0.000 0.967 149 D CA 1.051 54.980 54.000 -0.118 0.000 0.840 149 D CB 0.054 40.800 40.800 -0.090 0.000 0.972 149 D HN -0.047 nan 8.370 nan 0.000 0.482 150 K N -0.489 119.719 120.400 -0.319 0.000 2.168 150 K HA 0.062 4.359 4.320 -0.038 0.000 0.201 150 K C 1.406 177.579 176.600 -0.712 0.000 1.049 150 K CA 0.850 56.767 56.287 -0.616 0.000 0.974 150 K CB -0.155 31.761 32.500 -0.973 0.000 0.792 150 K HN 0.038 nan 8.250 nan 0.000 0.463 151 F N -0.624 119.187 119.950 -0.232 0.000 2.485 151 F HA 0.194 4.699 4.527 -0.037 0.000 0.274 151 F C 1.830 177.509 175.800 -0.201 0.000 0.963 151 F CA 0.054 57.931 58.000 -0.205 0.000 1.169 151 F CB -0.886 37.986 39.000 -0.213 0.000 1.145 151 F HN -0.080 nan 8.300 nan 0.000 0.682 152 L N 0.236 121.417 121.223 -0.069 0.000 1.994 152 L HA -0.108 4.209 4.340 -0.038 0.000 0.208 152 L C 1.216 178.015 176.870 -0.118 0.000 1.071 152 L CA 1.718 56.451 54.840 -0.179 0.000 0.745 152 L CB -0.868 40.987 42.059 -0.341 0.000 0.892 152 L HN 0.418 nan 8.230 nan 0.000 0.431 153 Q N -1.293 118.441 119.800 -0.111 0.000 1.669 153 Q HA -0.351 3.966 4.340 -0.038 0.000 0.383 153 Q C 0.382 176.339 176.000 -0.072 0.000 0.879 153 Q CA 1.725 57.476 55.803 -0.087 0.000 0.787 153 Q CB -1.402 27.286 28.738 -0.084 0.000 3.896 153 Q HN 0.499 nan 8.270 nan 0.000 0.687 154 N N 1.505 120.172 118.700 -0.056 0.000 2.279 154 N HA 0.162 4.880 4.740 -0.038 0.000 0.226 154 N C -0.673 174.812 175.510 -0.042 0.000 1.126 154 N CA 0.267 53.290 53.050 -0.045 0.000 0.846 154 N CB 0.421 38.887 38.487 -0.035 0.000 1.050 154 N HN 0.186 nan 8.380 nan 0.000 0.502 155 K N -0.018 120.354 120.400 -0.046 0.000 2.107 155 K HA 0.394 4.691 4.320 -0.038 0.000 0.251 155 K C 1.050 177.618 176.600 -0.054 0.000 1.012 155 K CA -0.332 55.937 56.287 -0.030 0.000 0.920 155 K CB 1.017 33.512 32.500 -0.008 0.000 1.033 155 K HN -0.112 nan 8.250 nan 0.000 0.478 156 A N 1.560 124.352 122.820 -0.047 0.000 1.930 156 A HA -0.008 4.289 4.320 -0.038 0.000 0.217 156 A C 0.222 177.553 177.584 -0.422 0.000 1.175 156 A CA 1.312 53.223 52.037 -0.209 0.000 0.627 156 A CB -0.193 18.735 19.000 -0.119 0.000 0.815 156 A HN 0.520 nan 8.150 nan 0.000 0.443 157 F N -3.064 116.957 119.950 0.119 0.000 2.664 157 F HA 0.454 4.959 4.527 -0.037 0.000 0.329 157 F C 0.974 176.793 175.800 0.032 0.000 1.090 157 F CA -0.811 57.310 58.000 0.201 0.000 0.978 157 F CB 1.134 40.237 39.000 0.171 0.000 1.378 157 F HN -0.148 nan 8.300 nan 0.000 0.495 158 L N 0.076 121.439 121.223 0.232 0.000 2.131 158 L HA -0.118 4.199 4.340 -0.038 0.000 0.210 158 L C 1.677 178.595 176.870 0.079 0.000 1.092 158 L CA 1.906 56.747 54.840 0.003 0.000 0.759 158 L CB -0.675 41.283 42.059 -0.169 0.000 0.903 158 L HN 0.844 nan 8.230 nan 0.000 0.435 159 T N -4.419 110.195 114.554 0.099 0.000 3.091 159 T HA 0.548 4.875 4.350 -0.038 0.000 0.277 159 T C 0.469 175.166 174.700 -0.006 0.000 0.996 159 T CA 0.144 62.284 62.100 0.067 0.000 0.897 159 T CB 0.978 69.894 68.868 0.080 0.000 1.109 159 T HN 0.390 nan 8.240 nan 0.000 0.534 160 G N 2.154 110.954 108.800 0.001 0.000 2.368 160 G HA2 0.300 4.237 3.960 -0.038 0.000 0.269 160 G HA3 0.300 4.237 3.960 -0.038 0.000 0.269 160 G C -2.570 172.345 174.900 0.024 0.000 1.291 160 G CA -0.194 44.879 45.100 -0.046 0.000 0.903 160 G HN -0.129 nan 8.290 nan 0.000 0.483 161 P HA 0.129 nan 4.420 nan 0.000 0.241 161 P C 0.170 177.625 177.300 0.258 0.000 1.191 161 P CA 1.224 64.403 63.100 0.131 0.000 0.771 161 P CB -0.189 31.561 31.700 0.083 0.000 0.929 162 H N -2.495 116.629 119.070 0.090 0.000 2.797 162 H HA 0.520 5.054 4.556 -0.037 0.000 0.372 162 H C -0.211 174.694 175.328 -0.705 0.000 1.168 162 H CA -1.492 54.372 56.048 -0.306 0.000 1.163 162 H CB 0.359 29.938 29.762 -0.304 0.000 1.778 162 H HN -0.234 nan 8.280 nan 0.000 0.551 163 I N 1.994 121.814 120.570 -1.250 0.000 2.892 163 I HA 0.175 4.322 4.170 -0.038 0.000 0.287 163 I C -0.010 176.053 176.117 -0.090 0.000 1.205 163 I CA 0.779 61.544 61.300 -0.890 0.000 1.409 163 I CB 0.328 37.849 38.000 -0.799 0.000 1.367 163 I HN 0.982 nan 8.210 nan 0.000 0.597 164 S N 5.491 121.264 115.700 0.121 0.000 2.794 164 S HA 0.391 4.838 4.470 -0.038 0.000 0.299 164 S C 0.609 175.540 174.600 0.551 0.000 1.179 164 S CA -0.944 57.470 58.200 0.356 0.000 0.838 164 S CB 1.114 64.493 63.200 0.298 0.000 1.206 164 S HN 0.628 nan 8.310 nan 0.000 0.523 165 L N 0.749 122.314 121.223 0.570 0.000 2.129 165 L HA -0.096 4.221 4.340 -0.038 0.000 0.212 165 L C 3.046 180.084 176.870 0.279 0.000 1.087 165 L CA 1.753 56.815 54.840 0.369 0.000 0.757 165 L CB -1.061 41.088 42.059 0.150 0.000 0.896 165 L HN 0.915 nan 8.230 nan 0.000 0.434 166 A N 0.455 123.429 122.820 0.256 0.000 1.908 166 A HA -0.272 4.025 4.320 -0.038 0.000 0.218 166 A C 1.833 179.422 177.584 0.009 0.000 1.181 166 A CA 2.345 54.453 52.037 0.117 0.000 0.627 166 A CB -0.675 18.330 19.000 0.009 0.000 0.818 166 A HN 0.445 nan 8.150 nan 0.000 0.445 167 D N -0.762 119.758 120.400 0.200 0.000 2.178 167 D HA -0.082 4.536 4.640 -0.038 0.000 0.202 167 D C 1.743 178.264 176.300 0.369 0.000 0.974 167 D CA 0.986 55.221 54.000 0.391 0.000 0.841 167 D CB -0.131 40.987 40.800 0.531 0.000 0.953 167 D HN 0.347 nan 8.370 nan 0.000 0.478 168 L N 0.454 121.890 121.223 0.355 0.000 2.056 168 L HA -0.098 4.219 4.340 -0.038 0.000 0.207 168 L C 1.952 178.980 176.870 0.264 0.000 1.078 168 L CA 1.384 56.421 54.840 0.328 0.000 0.749 168 L CB -0.377 41.878 42.059 0.326 0.000 0.901 168 L HN -0.042 nan 8.230 nan 0.000 0.433 169 V N 0.030 120.083 119.914 0.232 0.000 2.358 169 V HA -0.244 3.853 4.120 -0.038 0.000 0.246 169 V C 2.795 179.063 176.094 0.290 0.000 1.047 169 V CA 1.527 63.961 62.300 0.223 0.000 1.035 169 V CB -1.262 30.698 31.823 0.228 0.000 0.658 169 V HN 0.597 nan 8.190 nan 0.000 0.452 170 A N -0.136 122.877 122.820 0.321 0.000 1.877 170 A HA -0.220 4.077 4.320 -0.038 0.000 0.216 170 A C 2.161 180.029 177.584 0.472 0.000 1.186 170 A CA 2.149 54.418 52.037 0.387 0.000 0.620 170 A CB -0.580 18.549 19.000 0.215 0.000 0.822 170 A HN 0.443 nan 8.150 nan 0.000 0.443 171 I N 0.608 121.463 120.570 0.475 0.000 2.315 171 I HA -0.177 3.970 4.170 -0.038 0.000 0.248 171 I C 2.630 178.981 176.117 0.391 0.000 1.117 171 I CA 2.375 63.924 61.300 0.416 0.000 1.404 171 I CB -0.458 37.671 38.000 0.216 0.000 1.071 171 I HN 0.510 nan 8.210 nan 0.000 0.419 172 T N -2.749 112.017 114.554 0.354 0.000 2.867 172 T HA -0.124 4.203 4.350 -0.038 0.000 0.268 172 T C 1.744 176.604 174.700 0.265 0.000 1.057 172 T CA 1.331 63.639 62.100 0.346 0.000 1.136 172 T CB -0.550 68.463 68.868 0.241 0.000 0.874 172 T HN 0.456 nan 8.240 nan 0.000 0.466 173 E N 1.145 121.480 120.200 0.225 0.000 2.047 173 E HA 0.031 4.358 4.350 -0.038 0.000 0.191 173 E C 2.183 178.906 176.600 0.204 0.000 0.987 173 E CA 1.027 57.518 56.400 0.151 0.000 0.799 173 E CB -0.327 29.463 29.700 0.150 0.000 0.752 173 E HN 0.468 nan 8.360 nan 0.000 0.449 174 L N 0.430 121.816 121.223 0.271 0.000 2.191 174 L HA -0.139 4.178 4.340 -0.038 0.000 0.212 174 L C 2.309 179.341 176.870 0.269 0.000 1.103 174 L CA 0.419 55.410 54.840 0.253 0.000 0.769 174 L CB -0.254 42.004 42.059 0.332 0.000 0.908 174 L HN 0.238 nan 8.230 nan 0.000 0.438 175 M N -1.306 118.471 119.600 0.295 0.000 2.476 175 M HA -0.138 4.319 4.480 -0.038 0.000 0.262 175 M C 1.955 178.402 176.300 0.244 0.000 1.079 175 M CA 1.301 56.746 55.300 0.243 0.000 1.104 175 M CB -1.114 31.561 32.600 0.124 0.000 1.409 175 M HN 0.220 nan 8.290 nan 0.000 0.467 176 H N 1.059 120.200 119.070 0.118 0.000 2.270 176 H HA -0.056 4.477 4.556 -0.039 0.000 0.299 176 H C -0.614 174.736 175.328 0.037 0.000 1.077 176 H CA 2.052 58.140 56.048 0.066 0.000 1.294 176 H CB -1.484 28.320 29.762 0.069 0.000 1.371 176 H HN 0.166 nan 8.280 nan 0.000 0.491 177 P HA -0.115 nan 4.420 nan 0.000 0.220 177 P C 1.630 178.964 177.300 0.056 0.000 1.148 177 P CA 1.022 64.167 63.100 0.075 0.000 0.803 177 P CB 0.051 31.793 31.700 0.069 0.000 0.782 178 V N 0.833 120.806 119.914 0.098 0.000 2.287 178 V HA -0.177 3.920 4.120 -0.038 0.000 0.248 178 V C 2.847 178.968 176.094 0.044 0.000 1.053 178 V CA 2.512 64.877 62.300 0.109 0.000 1.027 178 V CB -1.968 29.976 31.823 0.202 0.000 0.646 178 V HN 0.171 nan 8.190 nan 0.000 0.447 179 G N -0.560 108.244 108.800 0.007 0.000 2.448 179 G HA2 -0.156 3.781 3.960 -0.038 0.000 0.219 179 G HA3 -0.156 3.781 3.960 -0.038 0.000 0.219 179 G C 1.567 176.401 174.900 -0.111 0.000 1.127 179 G CA 0.901 45.957 45.100 -0.074 0.000 0.766 179 G HN 0.637 nan 8.290 nan 0.000 0.552 180 A N -0.491 122.276 122.820 -0.089 0.000 2.169 180 A HA 0.460 4.757 4.320 -0.038 0.000 0.212 180 A C 2.008 179.567 177.584 -0.041 0.000 1.153 180 A CA 1.354 53.338 52.037 -0.089 0.000 0.756 180 A CB -0.330 18.630 19.000 -0.067 0.000 0.813 180 A HN 1.581 nan 8.150 nan 0.000 0.471 181 G N -1.944 106.845 108.800 -0.018 0.000 2.131 181 G HA2 -0.236 3.701 3.960 -0.038 0.000 0.223 181 G HA3 -0.236 3.701 3.960 -0.038 0.000 0.223 181 G C 0.199 175.110 174.900 0.018 0.000 0.990 181 G CA -0.072 45.028 45.100 0.001 0.000 0.671 181 G HN 0.589 nan 8.290 nan 0.000 0.521 182 C N 0.576 119.890 119.300 0.024 0.000 2.595 182 C HA 0.469 4.907 4.460 -0.038 0.000 0.384 182 C C 1.143 176.154 174.990 0.034 0.000 1.289 182 C CA -0.217 58.818 59.018 0.028 0.000 2.372 182 C CB 0.909 28.665 27.740 0.027 0.000 2.593 182 C HN 0.575 nan 8.230 nan 0.000 0.639 183 Q N 1.360 121.177 119.800 0.028 0.000 2.553 183 Q HA 0.173 4.490 4.340 -0.038 0.000 0.221 183 Q C 0.562 176.560 176.000 -0.003 0.000 1.219 183 Q CA -0.200 55.621 55.803 0.031 0.000 0.955 183 Q CB 0.583 29.340 28.738 0.032 0.000 1.399 183 Q HN 0.670 nan 8.270 nan 0.000 0.551 184 V N 0.963 120.856 119.914 -0.036 0.000 2.341 184 V HA -0.109 3.988 4.120 -0.038 0.000 0.240 184 V C 1.121 177.035 176.094 -0.300 0.000 1.035 184 V CA 1.404 63.569 62.300 -0.226 0.000 1.033 184 V CB -0.166 31.426 31.823 -0.386 0.000 0.678 184 V HN 0.626 nan 8.190 nan 0.000 0.464 185 F N -0.224 119.773 119.950 0.079 0.000 2.619 185 F HA 0.223 4.727 4.527 -0.038 0.000 0.293 185 F C 1.028 176.859 175.800 0.053 0.000 1.119 185 F CA -0.289 57.757 58.000 0.077 0.000 1.445 185 F CB -0.060 38.984 39.000 0.073 0.000 1.119 185 F HN 0.110 nan 8.300 nan 0.000 0.573 186 E N 0.233 120.544 120.200 0.185 0.000 2.415 186 E HA 0.336 4.663 4.350 -0.038 0.000 0.263 186 E C 1.182 177.827 176.600 0.076 0.000 0.995 186 E CA 0.993 57.460 56.400 0.111 0.000 0.915 186 E CB 0.214 29.962 29.700 0.081 0.000 0.951 186 E HN 0.350 nan 8.360 nan 0.000 0.449 187 G N 3.484 112.324 108.800 0.066 0.000 2.225 187 G HA2 -0.362 3.575 3.960 -0.038 0.000 0.254 187 G HA3 -0.362 3.575 3.960 -0.038 0.000 0.254 187 G C 0.294 175.224 174.900 0.049 0.000 0.988 187 G CA 0.012 45.140 45.100 0.047 0.000 0.625 187 G HN 0.455 nan 8.290 nan 0.000 0.527 188 R N 0.518 121.062 120.500 0.073 0.000 2.564 188 R HA 0.317 4.634 4.340 -0.038 0.000 0.282 188 R C -1.931 174.438 176.300 0.115 0.000 1.573 188 R CA -1.539 54.607 56.100 0.076 0.000 1.588 188 R CB 1.527 31.862 30.300 0.059 0.000 1.154 188 R HN 0.141 nan 8.270 nan 0.000 0.606 189 P HA -0.169 nan 4.420 nan 0.000 0.216 189 P C 0.693 178.045 177.300 0.087 0.000 1.150 189 P CA 1.180 64.328 63.100 0.079 0.000 0.837 189 P CB 0.331 32.058 31.700 0.045 0.000 0.786 190 K N -0.547 119.896 120.400 0.073 0.000 2.057 190 K HA -0.071 4.226 4.320 -0.038 0.000 0.207 190 K C 2.099 178.787 176.600 0.146 0.000 1.049 190 K CA 1.097 57.424 56.287 0.067 0.000 0.931 190 K CB -0.664 31.847 32.500 0.019 0.000 0.714 190 K HN 0.189 nan 8.250 nan 0.000 0.440 191 L N 0.371 121.717 121.223 0.205 0.000 2.093 191 L HA -0.140 4.177 4.340 -0.038 0.000 0.208 191 L C 2.583 179.803 176.870 0.583 0.000 1.085 191 L CA 0.851 55.951 54.840 0.433 0.000 0.755 191 L CB -0.556 41.729 42.059 0.376 0.000 0.904 191 L HN 0.209 nan 8.230 nan 0.000 0.435 192 A N 0.419 123.472 122.820 0.387 0.000 1.877 192 A HA -0.233 4.064 4.320 -0.038 0.000 0.216 192 A C 2.441 180.033 177.584 0.014 0.000 1.186 192 A CA 2.389 54.527 52.037 0.170 0.000 0.620 192 A CB -0.975 18.104 19.000 0.132 0.000 0.822 192 A HN 0.521 nan 8.150 nan 0.000 0.443 193 T N -4.223 110.364 114.554 0.054 0.000 2.821 193 T HA -0.233 4.094 4.350 -0.038 0.000 0.267 193 T C 1.668 176.353 174.700 -0.026 0.000 1.046 193 T CA 1.527 63.620 62.100 -0.012 0.000 1.139 193 T CB -0.584 68.280 68.868 -0.007 0.000 0.871 193 T HN 0.650 nan 8.240 nan 0.000 0.454 194 W N 2.662 123.882 121.300 -0.133 0.000 2.338 194 W HA -0.050 4.588 4.660 -0.037 0.000 0.304 194 W C 2.663 179.095 176.519 -0.146 0.000 1.212 194 W CA 1.363 58.600 57.345 -0.179 0.000 1.264 194 W CB -0.351 29.053 29.460 -0.094 0.000 1.142 194 W HN 0.156 nan 8.180 nan 0.000 0.512 195 R N 0.062 120.370 120.500 -0.320 0.000 2.103 195 R HA -0.245 4.073 4.340 -0.038 0.000 0.242 195 R C 2.242 178.177 176.300 -0.609 0.000 1.142 195 R CA 2.067 57.747 56.100 -0.699 0.000 0.960 195 R CB -0.577 29.186 30.300 -0.894 0.000 0.858 195 R HN 0.215 nan 8.270 nan 0.000 0.439 196 Q N 0.348 119.900 119.800 -0.413 0.000 2.084 196 Q HA -0.148 4.170 4.340 -0.038 0.000 0.202 196 Q C 2.165 178.000 176.000 -0.275 0.000 0.978 196 Q CA 1.491 57.099 55.803 -0.326 0.000 0.844 196 Q CB -0.255 28.352 28.738 -0.218 0.000 0.898 196 Q HN 0.442 nan 8.270 nan 0.000 0.426 197 R N -0.150 120.194 120.500 -0.260 0.000 2.096 197 R HA -0.067 4.251 4.340 -0.038 0.000 0.235 197 R C 2.394 178.673 176.300 -0.034 0.000 1.127 197 R CA 1.149 57.158 56.100 -0.152 0.000 0.968 197 R CB -0.277 29.834 30.300 -0.314 0.000 0.861 197 R HN 0.068 nan 8.270 nan 0.000 0.440 198 V N 1.265 121.045 119.914 -0.223 0.000 2.307 198 V HA -0.201 3.897 4.120 -0.038 0.000 0.245 198 V C 2.032 178.011 176.094 -0.191 0.000 1.045 198 V CA 1.714 63.920 62.300 -0.157 0.000 1.024 198 V CB -0.390 31.144 31.823 -0.480 0.000 0.651 198 V HN 0.335 nan 8.190 nan 0.000 0.449 199 E N 0.330 120.275 120.200 -0.424 0.000 2.110 199 E HA -0.212 4.115 4.350 -0.038 0.000 0.193 199 E C 2.310 178.814 176.600 -0.161 0.000 0.988 199 E CA 1.320 57.449 56.400 -0.453 0.000 0.804 199 E CB -0.301 28.985 29.700 -0.689 0.000 0.745 199 E HN 0.602 nan 8.360 nan 0.000 0.458 200 A N 1.385 124.126 122.820 -0.131 0.000 1.933 200 A HA -0.077 4.220 4.320 -0.038 0.000 0.218 200 A C 2.354 179.935 177.584 -0.004 0.000 1.175 200 A CA 1.599 53.603 52.037 -0.055 0.000 0.628 200 A CB -0.444 18.524 19.000 -0.053 0.000 0.814 200 A HN 0.288 nan 8.150 nan 0.000 0.444 201 A N -0.923 121.907 122.820 0.016 0.000 1.929 201 A HA 0.110 4.407 4.320 -0.038 0.000 0.216 201 A C 2.147 179.797 177.584 0.110 0.000 1.176 201 A CA 1.553 53.602 52.037 0.020 0.000 0.628 201 A CB -0.601 18.380 19.000 -0.032 0.000 0.816 201 A HN 0.340 nan 8.150 nan 0.000 0.444 202 V N -0.896 119.114 119.914 0.160 0.000 2.591 202 V HA 0.282 4.380 4.120 -0.038 0.000 0.249 202 V C 1.244 177.450 176.094 0.186 0.000 1.053 202 V CA 1.255 63.708 62.300 0.254 0.000 1.068 202 V CB -0.869 31.146 31.823 0.320 0.000 0.689 202 V HN 1.206 nan 8.190 nan 0.000 0.462 203 G N 0.416 109.291 108.800 0.126 0.000 3.444 203 G HA2 -0.098 3.839 3.960 -0.038 0.000 0.685 203 G HA3 -0.098 3.839 3.960 -0.038 0.000 0.685 203 G C -0.130 174.846 174.900 0.128 0.000 1.145 203 G CA -0.086 45.075 45.100 0.102 0.000 0.973 203 G HN 0.279 nan 8.290 nan 0.000 0.525 204 E N 1.067 121.314 120.200 0.078 0.000 2.110 204 E HA -0.048 4.279 4.350 -0.038 0.000 0.193 204 E C 1.988 178.678 176.600 0.150 0.000 0.988 204 E CA 1.619 58.074 56.400 0.091 0.000 0.804 204 E CB 0.105 29.818 29.700 0.021 0.000 0.745 204 E HN 0.605 nan 8.360 nan 0.000 0.458 205 D N 0.133 120.600 120.400 0.111 0.000 2.097 205 D HA -0.145 4.472 4.640 -0.038 0.000 0.195 205 D C 1.929 178.315 176.300 0.143 0.000 0.989 205 D CA 0.691 54.756 54.000 0.108 0.000 0.827 205 D CB -0.320 40.523 40.800 0.073 0.000 0.966 205 D HN 0.095 nan 8.370 nan 0.000 0.456 206 L N 0.026 121.342 121.223 0.154 0.000 2.046 206 L HA -0.101 4.216 4.340 -0.038 0.000 0.208 206 L C 2.112 179.118 176.870 0.227 0.000 1.077 206 L CA 1.368 56.311 54.840 0.170 0.000 0.747 206 L CB -0.780 41.362 42.059 0.138 0.000 0.896 206 L HN -0.053 nan 8.230 nan 0.000 0.432 207 F N 0.017 120.050 119.950 0.139 0.000 2.102 207 F HA -0.279 4.225 4.527 -0.039 0.000 0.298 207 F C 2.633 178.583 175.800 0.250 0.000 1.105 207 F CA 2.068 60.188 58.000 0.200 0.000 1.239 207 F CB -0.247 38.818 39.000 0.110 0.000 0.991 207 F HN 0.246 nan 8.300 nan 0.000 0.474 208 Q N 0.815 120.808 119.800 0.322 0.000 2.084 208 Q HA -0.235 4.082 4.340 -0.038 0.000 0.202 208 Q C 2.260 178.317 176.000 0.095 0.000 0.978 208 Q CA 2.147 58.071 55.803 0.202 0.000 0.844 208 Q CB -0.554 28.286 28.738 0.170 0.000 0.898 208 Q HN 0.632 nan 8.270 nan 0.000 0.426 209 E N -0.843 119.412 120.200 0.092 0.000 2.058 209 E HA -0.234 4.093 4.350 -0.038 0.000 0.194 209 E C 1.685 178.265 176.600 -0.033 0.000 0.997 209 E CA 1.187 57.619 56.400 0.054 0.000 0.801 209 E CB -0.251 29.518 29.700 0.115 0.000 0.746 209 E HN 0.446 nan 8.360 nan 0.000 0.450 210 A N 0.029 122.819 122.820 -0.050 0.000 2.019 210 A HA -0.165 4.132 4.320 -0.038 0.000 0.219 210 A C 1.333 178.611 177.584 -0.511 0.000 1.164 210 A CA 1.679 53.553 52.037 -0.272 0.000 0.644 210 A CB -0.589 18.257 19.000 -0.255 0.000 0.805 210 A HN 0.382 nan 8.150 nan 0.000 0.449 211 H N -1.306 117.637 119.070 -0.211 0.000 2.586 211 H HA 0.234 4.768 4.556 -0.037 0.000 0.273 211 H C 1.598 176.855 175.328 -0.119 0.000 0.997 211 H CA 0.158 56.090 56.048 -0.194 0.000 1.177 211 H CB 0.292 29.883 29.762 -0.285 0.000 1.471 211 H HN 0.592 nan 8.280 nan 0.000 0.538 212 E N 0.310 120.483 120.200 -0.045 0.000 2.070 212 E HA -0.182 4.145 4.350 -0.038 0.000 0.197 212 E C 1.734 178.298 176.600 -0.059 0.000 1.004 212 E CA 1.675 58.052 56.400 -0.039 0.000 0.805 212 E CB 0.118 29.792 29.700 -0.044 0.000 0.744 212 E HN 0.245 nan 8.360 nan 0.000 0.451 213 V N 0.743 120.612 119.914 -0.075 0.000 2.323 213 V HA -0.205 3.892 4.120 -0.038 0.000 0.244 213 V C 2.221 178.249 176.094 -0.110 0.000 1.041 213 V CA 1.312 63.581 62.300 -0.052 0.000 1.025 213 V CB -0.260 31.553 31.823 -0.015 0.000 0.656 213 V HN 0.251 nan 8.190 nan 0.000 0.451 214 I N -0.212 120.303 120.570 -0.090 0.000 2.394 214 I HA -0.152 3.995 4.170 -0.038 0.000 0.251 214 I C 1.929 177.944 176.117 -0.170 0.000 1.136 214 I CA 1.584 62.806 61.300 -0.130 0.000 1.425 214 I CB -0.242 37.745 38.000 -0.021 0.000 1.079 214 I HN 0.180 nan 8.210 nan 0.000 0.425 215 L N 0.589 121.751 121.223 -0.101 0.000 2.465 215 L HA -0.097 4.220 4.340 -0.038 0.000 0.224 215 L C 1.705 178.475 176.870 -0.167 0.000 1.145 215 L CA 0.960 55.741 54.840 -0.098 0.000 0.834 215 L CB -0.627 41.414 42.059 -0.030 0.000 0.944 215 L HN 0.371 nan 8.230 nan 0.000 0.451 216 K N -1.072 119.176 120.400 -0.254 0.000 2.478 216 K HA 0.334 4.631 4.320 -0.038 0.000 0.205 216 K C 1.472 177.669 176.600 -0.671 0.000 1.033 216 K CA 0.433 56.526 56.287 -0.323 0.000 1.091 216 K CB 0.476 32.853 32.500 -0.206 0.000 0.844 216 K HN -0.036 nan 8.250 nan 0.000 0.507 217 A N 3.223 125.532 122.820 -0.851 0.000 1.978 217 A HA -0.230 4.067 4.320 -0.038 0.000 0.220 217 A C 2.081 179.154 177.584 -0.852 0.000 1.170 217 A CA 1.722 52.903 52.037 -1.427 0.000 0.636 217 A CB -0.500 18.007 19.000 -0.822 0.000 0.810 217 A HN 0.591 nan 8.150 nan 0.000 0.448 218 K N -0.852 119.270 120.400 -0.462 0.000 2.281 218 K HA -0.150 4.148 4.320 -0.038 0.000 0.203 218 K C 0.046 176.545 176.600 -0.169 0.000 1.046 218 K CA 1.629 57.770 56.287 -0.243 0.000 0.938 218 K CB -0.201 32.200 32.500 -0.166 0.000 0.737 218 K HN 0.325 nan 8.250 nan 0.000 0.458 219 D N 0.306 120.569 120.400 -0.228 0.000 2.398 219 D HA 0.113 4.730 4.640 -0.038 0.000 0.210 219 D C -0.218 176.099 176.300 0.029 0.000 1.094 219 D CA -0.214 53.733 54.000 -0.089 0.000 0.839 219 D CB -0.030 40.721 40.800 -0.081 0.000 0.963 219 D HN 0.139 nan 8.370 nan 0.000 0.506 220 F N 2.362 122.300 119.950 -0.020 0.000 2.612 220 F HA 0.045 4.549 4.527 -0.039 0.000 0.389 220 F C -1.440 174.422 175.800 0.104 0.000 1.055 220 F CA -1.641 56.369 58.000 0.017 0.000 1.232 220 F CB 0.144 39.119 39.000 -0.041 0.000 1.044 220 F HN -0.258 nan 8.300 nan 0.000 0.560 221 P HA 0.058 nan 4.420 nan 0.000 0.266 221 P C -2.474 174.976 177.300 0.250 0.000 1.195 221 P CA -0.924 62.301 63.100 0.208 0.000 0.768 221 P CB -0.040 31.745 31.700 0.142 0.000 0.838 222 P HA 0.057 nan 4.420 nan 0.000 0.265 222 P C -0.351 176.911 177.300 -0.064 0.000 1.193 222 P CA 0.188 63.317 63.100 0.048 0.000 0.765 222 P CB 0.243 31.955 31.700 0.020 0.000 0.823 223 A N 3.183 125.778 122.820 -0.376 0.000 2.531 223 A HA 0.171 4.468 4.320 -0.038 0.000 0.236 223 A C 0.569 178.054 177.584 -0.166 0.000 1.062 223 A CA -0.172 51.639 52.037 -0.377 0.000 0.760 223 A CB -0.292 18.233 19.000 -0.790 0.000 0.995 223 A HN 0.647 nan 8.150 nan 0.000 0.501 224 D N 2.398 122.750 120.400 -0.080 0.000 2.344 224 D HA 0.227 4.844 4.640 -0.038 0.000 0.244 224 D C -2.123 174.150 176.300 -0.045 0.000 1.134 224 D CA -1.861 52.112 54.000 -0.044 0.000 0.930 224 D CB 0.085 40.874 40.800 -0.018 0.000 1.175 224 D HN 0.143 nan 8.370 nan 0.000 0.437 225 P HA -0.202 nan 4.420 nan 0.000 0.217 225 P C 1.469 178.762 177.300 -0.012 0.000 1.151 225 P CA 2.704 65.793 63.100 -0.019 0.000 0.849 225 P CB -0.177 31.518 31.700 -0.010 0.000 0.787 226 T N -2.741 111.806 114.554 -0.011 0.000 2.674 226 T HA -0.139 4.188 4.350 -0.038 0.000 0.265 226 T C 1.877 176.575 174.700 -0.004 0.000 1.039 226 T CA 1.122 63.218 62.100 -0.006 0.000 1.150 226 T CB -1.337 67.527 68.868 -0.007 0.000 0.864 226 T HN 0.011 nan 8.240 nan 0.000 0.427 227 I N 1.492 122.058 120.570 -0.007 0.000 2.179 227 I HA -0.146 4.001 4.170 -0.038 0.000 0.242 227 I C 2.934 179.061 176.117 0.017 0.000 1.088 227 I CA 1.709 63.013 61.300 0.007 0.000 1.357 227 I CB -0.368 37.642 38.000 0.016 0.000 1.051 227 I HN 0.313 nan 8.210 nan 0.000 0.409 228 K N 0.599 120.988 120.400 -0.020 0.000 2.032 228 K HA -0.278 4.019 4.320 -0.038 0.000 0.209 228 K C 2.297 178.925 176.600 0.048 0.000 1.048 228 K CA 1.555 57.839 56.287 -0.005 0.000 0.927 228 K CB -0.200 32.274 32.500 -0.044 0.000 0.712 228 K HN 0.215 nan 8.250 nan 0.000 0.441 229 Q N 1.273 121.092 119.800 0.031 0.000 2.135 229 Q HA -0.218 4.099 4.340 -0.038 0.000 0.204 229 Q C 1.846 177.873 176.000 0.046 0.000 0.981 229 Q CA 1.770 57.595 55.803 0.037 0.000 0.856 229 Q CB 0.007 28.756 28.738 0.020 0.000 0.902 229 Q HN 0.300 nan 8.270 nan 0.000 0.425 230 K N -0.236 120.186 120.400 0.036 0.000 2.057 230 K HA -0.046 4.251 4.320 -0.038 0.000 0.206 230 K C 2.270 178.911 176.600 0.068 0.000 1.050 230 K CA 0.969 57.270 56.287 0.023 0.000 0.935 230 K CB 0.026 32.520 32.500 -0.011 0.000 0.715 230 K HN 0.208 nan 8.250 nan 0.000 0.439 231 L N -0.099 121.207 121.223 0.138 0.000 2.209 231 L HA -0.055 4.262 4.340 -0.038 0.000 0.207 231 L C 2.376 179.444 176.870 0.330 0.000 1.094 231 L CA 0.102 55.121 54.840 0.300 0.000 0.790 231 L CB -0.237 42.077 42.059 0.425 0.000 0.932 231 L HN 0.231 nan 8.230 nan 0.000 0.447 232 M N 1.070 120.793 119.600 0.206 0.000 2.088 232 M HA -0.157 4.301 4.480 -0.038 0.000 0.256 232 M C -0.696 175.679 176.300 0.125 0.000 1.071 232 M CA 2.400 57.798 55.300 0.165 0.000 1.097 232 M CB -1.279 31.402 32.600 0.135 0.000 1.315 232 M HN -0.058 nan 8.290 nan 0.000 0.406 233 P HA -0.151 nan 4.420 nan 0.000 0.218 233 P C 1.141 178.508 177.300 0.111 0.000 1.149 233 P CA 1.313 64.468 63.100 0.091 0.000 0.817 233 P CB -0.547 31.203 31.700 0.082 0.000 0.785 234 W N 0.577 121.867 121.300 -0.017 0.000 2.354 234 W HA -0.200 4.438 4.660 -0.038 0.000 0.315 234 W C 1.825 178.279 176.519 -0.107 0.000 1.206 234 W CA 1.337 58.672 57.345 -0.017 0.000 1.290 234 W CB -1.199 28.302 29.460 0.069 0.000 1.152 234 W HN -0.313 nan 8.180 nan 0.000 0.489 235 V N 1.706 121.380 119.914 -0.400 0.000 2.287 235 V HA -0.361 3.737 4.120 -0.038 0.000 0.248 235 V C 2.491 178.247 176.094 -0.565 0.000 1.053 235 V CA 2.260 64.018 62.300 -0.904 0.000 1.027 235 V CB -1.212 30.177 31.823 -0.723 0.000 0.646 235 V HN 0.307 nan 8.190 nan 0.000 0.447 236 L N -0.003 121.090 121.223 -0.216 0.000 2.046 236 L HA -0.161 4.157 4.340 -0.038 0.000 0.208 236 L C 2.735 179.524 176.870 -0.134 0.000 1.077 236 L CA 1.635 56.422 54.840 -0.088 0.000 0.747 236 L CB -0.855 41.206 42.059 0.002 0.000 0.896 236 L HN 0.374 nan 8.230 nan 0.000 0.432 237 A N 0.174 122.907 122.820 -0.144 0.000 1.972 237 A HA -0.253 4.044 4.320 -0.038 0.000 0.219 237 A C 2.334 179.804 177.584 -0.189 0.000 1.169 237 A CA 1.987 53.951 52.037 -0.122 0.000 0.635 237 A CB -0.517 18.445 19.000 -0.063 0.000 0.810 237 A HN 0.557 nan 8.150 nan 0.000 0.446 238 M N -0.027 119.364 119.600 -0.350 0.000 2.236 238 M HA 0.048 4.505 4.480 -0.038 0.000 0.266 238 M C 1.686 177.789 176.300 -0.327 0.000 1.070 238 M CA 2.030 57.086 55.300 -0.407 0.000 1.137 238 M CB -0.354 31.796 32.600 -0.750 0.000 1.378 238 M HN 0.428 nan 8.290 nan 0.000 0.426 239 I N -0.971 119.399 120.570 -0.333 0.000 3.883 239 I HA 0.202 4.350 4.170 -0.038 0.000 0.326 239 I C 1.354 177.399 176.117 -0.120 0.000 1.283 239 I CA -0.651 60.509 61.300 -0.233 0.000 1.161 239 I CB -0.567 37.278 38.000 -0.258 0.000 1.012 239 I HN 0.237 nan 8.210 nan 0.000 0.421 240 R N 0.000 120.437 120.500 -0.105 0.000 2.786 240 R HA 0.000 4.317 4.340 -0.038 0.000 0.208 240 R CA 0.000 56.069 56.100 -0.053 0.000 0.921 240 R CB 0.000 30.269 30.300 -0.052 0.000 0.687 240 R HN 0.000 nan 8.270 nan 0.000 0.535