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 3es3_1_A DATA FIRST_RESID 5 DATA SEQUENCE TSQVRQNYDQ DSEAAINRQI NLELYASYVY LSMSYYFDRD DVALKNFAKY DATA SEQUENCE FLHQSHEERC HAEKLMKLQN QRGGRIFLQD IQKPDRDDWE SGLNAMEAAL DATA SEQUENCE QLEKNVNQSL LELHKLATDK NDPHLSDFIE THYLNCQVCA IKCLGDHVTN DATA SEQUENCE LRKMGAPESG LAEYLFDKHT LG 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.710 174.700 0.017 0.000 1.109 5 T CA 0.000 62.115 62.100 0.025 0.000 1.349 5 T CB 0.000 68.881 68.868 0.022 0.000 0.612 6 S N 1.797 117.508 115.700 0.018 0.000 2.558 6 S HA 0.031 4.501 4.470 0.001 0.000 0.288 6 S C 1.714 176.311 174.600 -0.006 0.000 1.318 6 S CA 0.027 58.228 58.200 0.002 0.000 1.056 6 S CB 0.622 63.820 63.200 -0.004 0.000 0.853 6 S HN 0.780 nan 8.310 nan 0.000 0.505 7 Q N 3.268 123.060 119.800 -0.013 0.000 2.364 7 Q HA -0.064 4.276 4.340 0.001 0.000 0.207 7 Q C 1.328 177.313 176.000 -0.025 0.000 0.970 7 Q CA 1.621 57.414 55.803 -0.015 0.000 0.888 7 Q CB -0.434 28.295 28.738 -0.015 0.000 0.951 7 Q HN 0.684 nan 8.270 nan 0.000 0.469 8 V N -2.709 117.183 119.914 -0.037 0.000 3.660 8 V HA 0.259 4.380 4.120 0.001 0.000 0.276 8 V C 1.004 177.057 176.094 -0.069 0.000 1.317 8 V CA -0.352 61.913 62.300 -0.058 0.000 1.097 8 V CB -0.301 31.475 31.823 -0.078 0.000 0.863 8 V HN 0.129 nan 8.190 nan 0.000 0.438 9 R N 1.837 122.312 120.500 -0.042 0.000 2.537 9 R HA 0.356 4.697 4.340 0.001 0.000 0.280 9 R C -0.359 175.933 176.300 -0.012 0.000 1.058 9 R CA 0.349 56.436 56.100 -0.022 0.000 1.057 9 R CB 0.384 30.704 30.300 0.032 0.000 0.973 9 R HN 0.721 nan 8.270 nan 0.000 0.438 10 Q N 3.104 122.900 119.800 -0.006 0.000 2.443 10 Q HA 0.036 4.377 4.340 0.001 0.000 0.241 10 Q C -0.893 175.126 176.000 0.031 0.000 0.880 10 Q CA -0.377 55.427 55.803 0.001 0.000 0.974 10 Q CB 0.774 29.494 28.738 -0.030 0.000 1.482 10 Q HN 0.775 nan 8.270 nan 0.000 0.448 11 N N 1.766 120.497 118.700 0.052 0.000 2.753 11 N HA -0.251 4.489 4.740 0.001 0.000 0.251 11 N C -1.858 173.736 175.510 0.139 0.000 1.097 11 N CA 1.044 54.136 53.050 0.070 0.000 0.786 11 N CB -0.892 37.627 38.487 0.053 0.000 1.137 11 N HN 0.578 nan 8.380 nan 0.000 0.566 12 Y N 1.551 121.835 120.300 -0.026 0.000 2.367 12 Y HA 0.412 4.962 4.550 0.001 0.000 0.342 12 Y C 0.183 176.074 175.900 -0.014 0.000 0.979 12 Y CA -1.388 56.697 58.100 -0.025 0.000 1.161 12 Y CB 0.467 38.904 38.460 -0.037 0.000 1.155 12 Y HN 0.122 nan 8.280 nan 0.000 0.503 13 D N 3.461 123.710 120.400 -0.252 0.000 2.256 13 D HA 0.096 4.737 4.640 0.001 0.000 0.250 13 D C 0.892 177.006 176.300 -0.310 0.000 1.093 13 D CA -0.104 53.768 54.000 -0.212 0.000 0.882 13 D CB 1.192 41.907 40.800 -0.142 0.000 1.185 13 D HN 0.585 nan 8.370 nan 0.000 0.437 14 Q N 2.129 121.825 119.800 -0.173 0.000 2.156 14 Q HA -0.220 4.120 4.340 0.001 0.000 0.211 14 Q C 0.882 176.788 176.000 -0.157 0.000 0.995 14 Q CA 1.498 57.218 55.803 -0.140 0.000 0.877 14 Q CB -0.071 28.622 28.738 -0.075 0.000 0.920 14 Q HN 0.662 nan 8.270 nan 0.000 0.416 15 D N -0.067 120.246 120.400 -0.145 0.000 2.117 15 D HA -0.061 4.580 4.640 0.001 0.000 0.198 15 D C 2.063 178.275 176.300 -0.147 0.000 0.982 15 D CA 0.946 54.876 54.000 -0.116 0.000 0.828 15 D CB -0.046 40.703 40.800 -0.085 0.000 0.967 15 D HN 0.097 nan 8.370 nan 0.000 0.464 16 S N 0.654 116.212 115.700 -0.237 0.000 2.348 16 S HA -0.202 4.269 4.470 0.001 0.000 0.221 16 S C 1.864 176.295 174.600 -0.282 0.000 1.033 16 S CA 1.251 59.285 58.200 -0.276 0.000 1.010 16 S CB -0.303 62.639 63.200 -0.430 0.000 0.891 16 S HN 0.385 nan 8.310 nan 0.000 0.442 17 E N 1.373 121.290 120.200 -0.472 0.000 2.108 17 E HA -0.267 4.084 4.350 0.001 0.000 0.203 17 E C 2.038 178.623 176.600 -0.025 0.000 1.022 17 E CA 1.400 57.691 56.400 -0.183 0.000 0.823 17 E CB -0.320 29.309 29.700 -0.119 0.000 0.744 17 E HN 0.489 nan 8.360 nan 0.000 0.456 18 A N 0.725 123.514 122.820 -0.052 0.000 1.930 18 A HA -0.000 4.320 4.320 0.001 0.000 0.217 18 A C 2.352 179.933 177.584 -0.005 0.000 1.175 18 A CA 1.660 53.689 52.037 -0.013 0.000 0.627 18 A CB -0.634 18.344 19.000 -0.038 0.000 0.815 18 A HN 0.444 nan 8.150 nan 0.000 0.443 19 A N 0.007 122.811 122.820 -0.026 0.000 1.898 19 A HA 0.000 4.321 4.320 0.001 0.000 0.216 19 A C 2.014 179.603 177.584 0.008 0.000 1.181 19 A CA 1.401 53.431 52.037 -0.012 0.000 0.620 19 A CB -0.440 18.546 19.000 -0.024 0.000 0.819 19 A HN 0.383 nan 8.150 nan 0.000 0.442 20 I N 0.847 121.428 120.570 0.019 0.000 2.163 20 I HA -0.241 3.929 4.170 0.001 0.000 0.243 20 I C 2.011 178.160 176.117 0.054 0.000 1.085 20 I CA 1.423 62.749 61.300 0.043 0.000 1.347 20 I CB -1.584 36.471 38.000 0.093 0.000 1.044 20 I HN 0.337 nan 8.210 nan 0.000 0.408 21 N N 0.843 119.585 118.700 0.071 0.000 2.094 21 N HA -0.237 4.503 4.740 0.001 0.000 0.191 21 N C 1.980 177.530 175.510 0.067 0.000 1.023 21 N CA 1.299 54.401 53.050 0.087 0.000 0.857 21 N CB -0.400 38.161 38.487 0.124 0.000 1.013 21 N HN 0.271 nan 8.380 nan 0.000 0.426 22 R N 0.764 121.291 120.500 0.045 0.000 2.096 22 R HA -0.077 4.263 4.340 0.001 0.000 0.235 22 R C 2.100 178.423 176.300 0.039 0.000 1.127 22 R CA 1.236 57.356 56.100 0.033 0.000 0.968 22 R CB -0.198 30.111 30.300 0.016 0.000 0.861 22 R HN 0.142 nan 8.270 nan 0.000 0.440 23 Q N 0.029 119.849 119.800 0.033 0.000 2.137 23 Q HA 0.058 4.398 4.340 0.001 0.000 0.198 23 Q C 1.820 177.856 176.000 0.060 0.000 0.960 23 Q CA 1.357 57.178 55.803 0.030 0.000 0.847 23 Q CB -0.071 28.657 28.738 -0.015 0.000 0.915 23 Q HN 0.392 nan 8.270 nan 0.000 0.448 24 I N 1.037 121.647 120.570 0.067 0.000 2.248 24 I HA -0.320 3.851 4.170 0.001 0.000 0.248 24 I C 2.301 178.481 176.117 0.106 0.000 1.107 24 I CA 1.482 62.837 61.300 0.092 0.000 1.373 24 I CB -0.330 37.720 38.000 0.083 0.000 1.055 24 I HN 0.413 nan 8.210 nan 0.000 0.418 25 N N 0.796 119.553 118.700 0.095 0.000 2.333 25 N HA -0.140 4.600 4.740 0.001 0.000 0.178 25 N C 2.008 177.603 175.510 0.141 0.000 1.018 25 N CA 0.734 53.848 53.050 0.106 0.000 0.882 25 N CB 0.150 38.684 38.487 0.078 0.000 0.984 25 N HN 0.215 nan 8.380 nan 0.000 0.434 26 L N 2.306 123.604 121.223 0.125 0.000 2.027 26 L HA -0.060 4.281 4.340 0.001 0.000 0.206 26 L C 2.145 179.144 176.870 0.215 0.000 1.074 26 L CA 1.676 56.614 54.840 0.163 0.000 0.745 26 L CB -0.605 41.522 42.059 0.113 0.000 0.898 26 L HN 0.075 nan 8.230 nan 0.000 0.433 27 E N -0.282 120.025 120.200 0.178 0.000 2.110 27 E HA -0.217 4.134 4.350 0.001 0.000 0.193 27 E C 2.314 179.038 176.600 0.208 0.000 0.988 27 E CA 1.467 57.987 56.400 0.200 0.000 0.804 27 E CB -0.342 29.489 29.700 0.218 0.000 0.745 27 E HN 0.537 nan 8.360 nan 0.000 0.458 28 L N -0.009 121.332 121.223 0.197 0.000 2.109 28 L HA -0.167 4.173 4.340 0.001 0.000 0.207 28 L C 2.599 179.602 176.870 0.222 0.000 1.086 28 L CA 0.946 55.894 54.840 0.180 0.000 0.760 28 L CB -0.504 41.638 42.059 0.139 0.000 0.910 28 L HN 0.098 nan 8.230 nan 0.000 0.437 29 Y N 1.074 121.455 120.300 0.134 0.000 2.128 29 Y HA -0.315 4.236 4.550 0.001 0.000 0.284 29 Y C 2.441 178.428 175.900 0.145 0.000 1.154 29 Y CA 1.350 59.547 58.100 0.161 0.000 1.149 29 Y CB -0.377 38.154 38.460 0.119 0.000 0.976 29 Y HN 0.104 nan 8.280 nan 0.000 0.505 30 A N -1.218 121.595 122.820 -0.012 0.000 2.019 30 A HA -0.163 4.158 4.320 0.001 0.000 0.219 30 A C 2.487 180.047 177.584 -0.041 0.000 1.164 30 A CA 1.705 53.645 52.037 -0.162 0.000 0.644 30 A CB -1.201 17.818 19.000 0.031 0.000 0.805 30 A HN 0.515 nan 8.150 nan 0.000 0.449 31 S N -2.025 113.754 115.700 0.132 0.000 2.383 31 S HA -0.136 4.335 4.470 0.001 0.000 0.227 31 S C 1.923 176.660 174.600 0.228 0.000 1.026 31 S CA 1.254 59.589 58.200 0.225 0.000 0.981 31 S CB -0.472 62.849 63.200 0.203 0.000 0.818 31 S HN 0.618 nan 8.310 nan 0.000 0.472 32 Y N 2.200 122.499 120.300 -0.002 0.000 2.200 32 Y HA 0.009 4.560 4.550 0.001 0.000 0.290 32 Y C 2.349 178.212 175.900 -0.061 0.000 1.137 32 Y CA 0.580 58.683 58.100 0.004 0.000 1.163 32 Y CB -0.966 37.512 38.460 0.030 0.000 0.988 32 Y HN 0.085 nan 8.280 nan 0.000 0.518 33 V N -0.448 119.352 119.914 -0.191 0.000 2.252 33 V HA -0.392 3.729 4.120 0.001 0.000 0.249 33 V C 2.144 178.042 176.094 -0.326 0.000 1.056 33 V CA 2.388 64.469 62.300 -0.364 0.000 1.022 33 V CB -1.106 30.335 31.823 -0.636 0.000 0.641 33 V HN 0.412 nan 8.190 nan 0.000 0.445 34 Y N -0.813 119.397 120.300 -0.150 0.000 2.181 34 Y HA -0.253 4.297 4.550 0.001 0.000 0.288 34 Y C 2.336 178.234 175.900 -0.003 0.000 1.146 34 Y CA 1.476 59.509 58.100 -0.113 0.000 1.164 34 Y CB -0.303 38.179 38.460 0.037 0.000 0.982 34 Y HN 0.247 nan 8.280 nan 0.000 0.515 35 L N -0.592 120.786 121.223 0.259 0.000 2.042 35 L HA -0.218 4.122 4.340 0.001 0.000 0.210 35 L C 2.517 179.575 176.870 0.313 0.000 1.076 35 L CA 2.099 57.126 54.840 0.311 0.000 0.749 35 L CB -1.140 41.136 42.059 0.362 0.000 0.893 35 L HN 0.135 nan 8.230 nan 0.000 0.432 36 S N -0.869 114.941 115.700 0.183 0.000 2.353 36 S HA -0.242 4.229 4.470 0.001 0.000 0.222 36 S C 2.026 176.722 174.600 0.159 0.000 1.035 36 S CA 1.880 60.193 58.200 0.188 0.000 1.025 36 S CB -0.273 63.014 63.200 0.143 0.000 0.902 36 S HN 0.541 nan 8.310 nan 0.000 0.440 37 M N 0.753 120.213 119.600 -0.233 0.000 2.082 37 M HA -0.123 4.357 4.480 0.001 0.000 0.258 37 M C 2.549 178.930 176.300 0.135 0.000 1.071 37 M CA 1.819 56.809 55.300 -0.517 0.000 1.103 37 M CB -0.988 30.954 32.600 -1.097 0.000 1.307 37 M HN 0.462 nan 8.290 nan 0.000 0.409 38 S N -0.045 115.812 115.700 0.262 0.000 2.414 38 S HA -0.251 4.219 4.470 0.001 0.000 0.238 38 S C 1.727 176.454 174.600 0.213 0.000 1.055 38 S CA 1.945 60.353 58.200 0.345 0.000 1.174 38 S CB -0.623 62.653 63.200 0.128 0.000 1.087 38 S HN 0.488 nan 8.310 nan 0.000 0.428 39 Y N -0.047 120.400 120.300 0.245 0.000 2.574 39 Y HA -0.042 4.508 4.550 0.001 0.000 0.294 39 Y C 2.117 178.116 175.900 0.166 0.000 1.142 39 Y CA 1.131 59.343 58.100 0.186 0.000 1.314 39 Y CB -0.487 38.062 38.460 0.149 0.000 0.991 39 Y HN 0.545 nan 8.280 nan 0.000 0.555 40 Y N -0.571 119.823 120.300 0.156 0.000 2.181 40 Y HA -0.247 4.303 4.550 0.000 0.000 0.288 40 Y C 1.370 177.194 175.900 -0.127 0.000 1.146 40 Y CA 1.344 59.430 58.100 -0.023 0.000 1.164 40 Y CB -0.823 37.571 38.460 -0.109 0.000 0.982 40 Y HN 0.074 nan 8.280 nan 0.000 0.515 41 F N -0.071 119.867 119.950 -0.021 0.000 2.802 41 F HA 0.032 4.560 4.527 0.000 0.000 0.300 41 F C 1.665 177.427 175.800 -0.064 0.000 1.168 41 F CA 1.047 58.986 58.000 -0.101 0.000 1.433 41 F CB -0.172 38.905 39.000 0.129 0.000 1.115 41 F HN 0.125 nan 8.300 nan 0.000 0.582 42 D N -0.203 120.251 120.400 0.089 0.000 2.350 42 D HA 0.033 4.673 4.640 0.001 0.000 0.213 42 D C 0.740 177.072 176.300 0.053 0.000 1.031 42 D CA 0.060 54.111 54.000 0.085 0.000 0.861 42 D CB 0.274 41.144 40.800 0.115 0.000 0.926 42 D HN 0.025 nan 8.370 nan 0.000 0.520 43 R N 0.923 121.405 120.500 -0.030 0.000 2.590 43 R HA 0.054 4.395 4.340 0.001 0.000 0.274 43 R C 1.378 177.659 176.300 -0.032 0.000 1.061 43 R CA 0.386 56.461 56.100 -0.041 0.000 1.081 43 R CB 0.607 30.830 30.300 -0.128 0.000 0.984 43 R HN 0.298 nan 8.270 nan 0.000 0.448 44 D N 2.175 122.574 120.400 -0.002 0.000 2.218 44 D HA -0.195 4.445 4.640 0.001 0.000 0.204 44 D C 0.363 176.661 176.300 -0.004 0.000 0.976 44 D CA 1.280 55.285 54.000 0.008 0.000 0.853 44 D CB 0.021 40.831 40.800 0.017 0.000 0.939 44 D HN 0.610 nan 8.370 nan 0.000 0.481 45 D N 0.374 120.760 120.400 -0.024 0.000 2.340 45 D HA -0.031 4.609 4.640 0.001 0.000 0.220 45 D C 1.823 178.091 176.300 -0.052 0.000 1.039 45 D CA 0.004 53.989 54.000 -0.024 0.000 0.866 45 D CB 0.349 41.142 40.800 -0.013 0.000 0.913 45 D HN 0.292 nan 8.370 nan 0.000 0.523 46 V N 0.119 119.972 119.914 -0.101 0.000 3.001 46 V HA 0.400 4.520 4.120 0.001 0.000 0.228 46 V C 1.212 177.302 176.094 -0.007 0.000 1.204 46 V CA 0.447 62.669 62.300 -0.132 0.000 1.247 46 V CB -0.565 30.988 31.823 -0.450 0.000 1.093 46 V HN 0.311 nan 8.190 nan 0.000 0.504 47 A N 0.665 123.492 122.820 0.012 0.000 2.846 47 A HA -0.195 4.126 4.320 0.001 0.000 0.287 47 A C 0.021 177.676 177.584 0.119 0.000 1.469 47 A CA 0.762 52.841 52.037 0.071 0.000 0.757 47 A CB -2.279 16.762 19.000 0.068 0.000 1.033 47 A HN 0.470 nan 8.150 nan 0.000 0.516 48 L N -0.413 120.908 121.223 0.165 0.000 2.297 48 L HA 0.325 4.666 4.340 0.001 0.000 0.277 48 L C 1.333 178.311 176.870 0.180 0.000 1.040 48 L CA -0.979 53.970 54.840 0.182 0.000 0.867 48 L CB 0.960 43.120 42.059 0.168 0.000 1.244 48 L HN 0.123 nan 8.230 nan 0.000 0.433 49 K N 1.147 121.607 120.400 0.101 0.000 2.211 49 K HA -0.027 4.293 4.320 0.001 0.000 0.203 49 K C 1.287 177.906 176.600 0.033 0.000 1.050 49 K CA 0.944 57.269 56.287 0.063 0.000 0.945 49 K CB 0.078 32.594 32.500 0.028 0.000 0.732 49 K HN 0.513 nan 8.250 nan 0.000 0.451 50 N N -0.307 118.393 118.700 -0.001 0.000 2.368 50 N HA 0.008 4.748 4.740 0.001 0.000 0.176 50 N C 1.753 177.174 175.510 -0.148 0.000 1.021 50 N CA 0.459 53.450 53.050 -0.098 0.000 0.888 50 N CB -0.198 38.165 38.487 -0.207 0.000 0.995 50 N HN 0.083 nan 8.380 nan 0.000 0.437 51 F N 2.057 121.862 119.950 -0.241 0.000 2.134 51 F HA -0.115 4.412 4.527 0.001 0.000 0.299 51 F C 2.452 178.156 175.800 -0.159 0.000 1.097 51 F CA 1.198 58.946 58.000 -0.420 0.000 1.264 51 F CB -0.387 38.120 39.000 -0.821 0.000 1.001 51 F HN 0.015 nan 8.300 nan 0.000 0.479 52 A N -0.262 122.685 122.820 0.211 0.000 1.883 52 A HA -0.256 4.064 4.320 0.001 0.000 0.217 52 A C 2.249 179.897 177.584 0.108 0.000 1.186 52 A CA 1.998 54.181 52.037 0.243 0.000 0.624 52 A CB -0.757 18.329 19.000 0.143 0.000 0.822 52 A HN 0.343 nan 8.150 nan 0.000 0.444 53 K N -1.903 118.525 120.400 0.047 0.000 2.057 53 K HA -0.189 4.132 4.320 0.001 0.000 0.206 53 K C 1.949 178.613 176.600 0.107 0.000 1.050 53 K CA 1.578 57.883 56.287 0.031 0.000 0.935 53 K CB -0.394 32.135 32.500 0.049 0.000 0.715 53 K HN 0.508 nan 8.250 nan 0.000 0.439 54 Y N 0.711 120.940 120.300 -0.118 0.000 2.053 54 Y HA -0.288 4.263 4.550 0.001 0.000 0.277 54 Y C 1.757 177.535 175.900 -0.204 0.000 1.159 54 Y CA 2.190 60.144 58.100 -0.244 0.000 1.125 54 Y CB -0.643 37.457 38.460 -0.600 0.000 0.969 54 Y HN 0.042 nan 8.280 nan 0.000 0.492 55 F N -1.153 118.804 119.950 0.011 0.000 2.234 55 F HA -0.191 4.336 4.527 0.001 0.000 0.299 55 F C 2.182 177.915 175.800 -0.111 0.000 1.087 55 F CA 0.597 58.548 58.000 -0.082 0.000 1.340 55 F CB -0.419 38.693 39.000 0.186 0.000 1.031 55 F HN 0.170 nan 8.300 nan 0.000 0.500 56 L N -0.352 120.910 121.223 0.065 0.000 2.131 56 L HA -0.229 4.111 4.340 0.001 0.000 0.210 56 L C 2.416 179.199 176.870 -0.145 0.000 1.092 56 L CA 1.910 56.718 54.840 -0.053 0.000 0.759 56 L CB -0.871 41.087 42.059 -0.170 0.000 0.903 56 L HN 0.164 nan 8.230 nan 0.000 0.435 57 H N -1.433 117.577 119.070 -0.100 0.000 2.372 57 H HA -0.026 4.530 4.556 0.001 0.000 0.301 57 H C 2.115 177.313 175.328 -0.216 0.000 1.065 57 H CA 1.185 57.161 56.048 -0.119 0.000 1.364 57 H CB 0.099 29.752 29.762 -0.180 0.000 1.406 57 H HN 0.348 nan 8.280 nan 0.000 0.521 58 Q N 0.533 120.144 119.800 -0.315 0.000 2.152 58 Q HA -0.129 4.211 4.340 0.001 0.000 0.206 58 Q C 2.497 178.344 176.000 -0.256 0.000 0.985 58 Q CA 1.109 56.580 55.803 -0.553 0.000 0.863 58 Q CB -0.616 27.355 28.738 -1.279 0.000 0.904 58 Q HN 0.265 nan 8.270 nan 0.000 0.422 59 S N -0.347 115.332 115.700 -0.035 0.000 2.356 59 S HA -0.204 4.267 4.470 0.001 0.000 0.223 59 S C 1.902 176.606 174.600 0.172 0.000 1.032 59 S CA 1.501 59.811 58.200 0.183 0.000 1.005 59 S CB -0.330 62.999 63.200 0.216 0.000 0.867 59 S HN 0.653 nan 8.310 nan 0.000 0.449 60 H N 0.103 119.184 119.070 0.018 0.000 2.353 60 H HA -0.055 4.502 4.556 0.001 0.000 0.300 60 H C 2.062 177.394 175.328 0.007 0.000 1.090 60 H CA 1.509 57.564 56.048 0.012 0.000 1.327 60 H CB -0.091 29.664 29.762 -0.012 0.000 1.383 60 H HN 0.377 nan 8.280 nan 0.000 0.508 61 E N 0.768 120.866 120.200 -0.170 0.000 2.038 61 E HA -0.163 4.187 4.350 0.001 0.000 0.195 61 E C 2.246 178.847 176.600 0.001 0.000 1.000 61 E CA 0.922 57.183 56.400 -0.233 0.000 0.803 61 E CB -0.139 29.466 29.700 -0.157 0.000 0.750 61 E HN 0.629 nan 8.360 nan 0.000 0.448 62 E N 0.525 120.831 120.200 0.176 0.000 2.077 62 E HA -0.173 4.177 4.350 0.001 0.000 0.193 62 E C 2.155 178.901 176.600 0.242 0.000 0.989 62 E CA 0.493 57.072 56.400 0.300 0.000 0.800 62 E CB -0.283 29.610 29.700 0.320 0.000 0.746 62 E HN 0.174 nan 8.360 nan 0.000 0.452 63 R N 0.601 121.213 120.500 0.185 0.000 2.080 63 R HA -0.137 4.204 4.340 0.001 0.000 0.236 63 R C 2.421 178.805 176.300 0.140 0.000 1.137 63 R CA 1.605 57.804 56.100 0.165 0.000 0.943 63 R CB -0.607 29.790 30.300 0.162 0.000 0.846 63 R HN 0.207 nan 8.270 nan 0.000 0.431 64 C N -0.318 119.031 119.300 0.081 0.000 2.413 64 C HA -0.116 4.345 4.460 0.001 0.000 0.276 64 C C 2.390 177.390 174.990 0.016 0.000 1.248 64 C CA 1.072 60.093 59.018 0.004 0.000 1.742 64 C CB -1.217 26.430 27.740 -0.155 0.000 2.017 64 C HN 0.591 nan 8.230 nan 0.000 0.481 65 H N -0.112 118.999 119.070 0.069 0.000 2.422 65 H HA -0.093 4.464 4.556 0.001 0.000 0.298 65 H C 2.260 177.757 175.328 0.281 0.000 1.098 65 H CA 1.616 57.751 56.048 0.145 0.000 1.315 65 H CB 0.011 29.881 29.762 0.180 0.000 1.382 65 H HN 0.539 nan 8.280 nan 0.000 0.523 66 A N 0.787 123.800 122.820 0.321 0.000 1.898 66 A HA -0.129 4.192 4.320 0.001 0.000 0.214 66 A C 2.044 179.742 177.584 0.190 0.000 1.183 66 A CA 1.277 53.461 52.037 0.245 0.000 0.622 66 A CB -0.154 18.959 19.000 0.189 0.000 0.824 66 A HN 0.427 nan 8.150 nan 0.000 0.444 67 E N -0.223 120.068 120.200 0.151 0.000 2.153 67 E HA -0.195 4.155 4.350 0.001 0.000 0.194 67 E C 1.948 178.621 176.600 0.121 0.000 0.988 67 E CA 1.156 57.622 56.400 0.109 0.000 0.811 67 E CB -0.113 29.636 29.700 0.082 0.000 0.746 67 E HN 0.580 nan 8.360 nan 0.000 0.466 68 K N 0.481 120.981 120.400 0.167 0.000 2.211 68 K HA -0.132 4.189 4.320 0.001 0.000 0.203 68 K C 1.786 178.553 176.600 0.278 0.000 1.050 68 K CA 0.540 56.951 56.287 0.207 0.000 0.945 68 K CB 0.137 32.761 32.500 0.207 0.000 0.732 68 K HN 0.046 nan 8.250 nan 0.000 0.451 69 L N 0.765 122.158 121.223 0.284 0.000 2.341 69 L HA 0.040 4.380 4.340 0.001 0.000 0.214 69 L C 1.879 178.803 176.870 0.091 0.000 1.115 69 L CA 1.240 56.203 54.840 0.206 0.000 0.820 69 L CB -0.246 41.919 42.059 0.177 0.000 0.944 69 L HN 0.226 nan 8.230 nan 0.000 0.452 70 M N -1.356 118.296 119.600 0.087 0.000 2.236 70 M HA -0.177 4.303 4.480 0.001 0.000 0.266 70 M C 2.143 178.449 176.300 0.010 0.000 1.070 70 M CA 1.186 56.511 55.300 0.041 0.000 1.137 70 M CB -0.328 32.297 32.600 0.041 0.000 1.378 70 M HN 0.079 nan 8.290 nan 0.000 0.426 71 K N 0.992 121.407 120.400 0.024 0.000 2.097 71 K HA -0.193 4.127 4.320 0.001 0.000 0.206 71 K C 1.963 178.527 176.600 -0.059 0.000 1.049 71 K CA 1.155 57.440 56.287 -0.003 0.000 0.933 71 K CB -0.120 32.397 32.500 0.028 0.000 0.717 71 K HN 0.128 nan 8.250 nan 0.000 0.442 72 L N 1.583 122.750 121.223 -0.093 0.000 2.046 72 L HA -0.186 4.154 4.340 0.001 0.000 0.208 72 L C 2.341 179.082 176.870 -0.216 0.000 1.077 72 L CA 1.811 56.498 54.840 -0.256 0.000 0.747 72 L CB -0.737 41.042 42.059 -0.466 0.000 0.896 72 L HN 0.233 nan 8.230 nan 0.000 0.432 73 Q N -0.255 119.480 119.800 -0.109 0.000 2.030 73 Q HA -0.224 4.117 4.340 0.001 0.000 0.204 73 Q C 2.099 178.028 176.000 -0.119 0.000 0.986 73 Q CA 2.178 57.940 55.803 -0.068 0.000 0.843 73 Q CB -0.254 28.493 28.738 0.016 0.000 0.904 73 Q HN 0.542 nan 8.270 nan 0.000 0.420 74 N N -0.055 118.588 118.700 -0.094 0.000 2.104 74 N HA -0.181 4.560 4.740 0.001 0.000 0.190 74 N C 1.617 177.049 175.510 -0.130 0.000 1.024 74 N CA 1.399 54.393 53.050 -0.093 0.000 0.853 74 N CB -0.264 38.184 38.487 -0.065 0.000 1.008 74 N HN 0.376 nan 8.380 nan 0.000 0.424 75 Q N 0.048 119.756 119.800 -0.153 0.000 2.112 75 Q HA -0.049 4.291 4.340 0.001 0.000 0.206 75 Q C 1.206 177.052 176.000 -0.256 0.000 0.987 75 Q CA 1.354 57.052 55.803 -0.175 0.000 0.858 75 Q CB 0.014 28.651 28.738 -0.167 0.000 0.905 75 Q HN 0.306 nan 8.270 nan 0.000 0.420 76 R N -1.625 118.646 120.500 -0.381 0.000 2.359 76 R HA 0.127 4.468 4.340 0.001 0.000 0.231 76 R C 0.724 176.780 176.300 -0.406 0.000 0.913 76 R CA 0.492 56.263 56.100 -0.549 0.000 1.075 76 R CB 0.859 30.528 30.300 -1.052 0.000 1.087 76 R HN 0.366 nan 8.270 nan 0.000 0.515 77 G N 0.036 108.703 108.800 -0.221 0.000 2.157 77 G HA2 -0.251 3.709 3.960 0.001 0.000 0.248 77 G HA3 -0.251 3.709 3.960 0.001 0.000 0.248 77 G C 0.472 175.376 174.900 0.007 0.000 0.979 77 G CA -0.181 44.867 45.100 -0.087 0.000 0.650 77 G HN 0.529 nan 8.290 nan 0.000 0.529 78 G N -0.896 107.922 108.800 0.030 0.000 2.611 78 G HA2 0.554 4.514 3.960 0.001 0.000 0.273 78 G HA3 0.554 4.514 3.960 0.001 0.000 0.273 78 G C -0.100 174.847 174.900 0.079 0.000 1.305 78 G CA -0.426 44.786 45.100 0.187 0.000 1.010 78 G HN 0.366 nan 8.290 nan 0.000 0.509 79 R N -0.621 119.937 120.500 0.098 0.000 2.514 79 R HA 0.284 4.625 4.340 0.001 0.000 0.296 79 R C -0.589 175.653 176.300 -0.096 0.000 1.012 79 R CA -0.670 55.414 56.100 -0.027 0.000 0.897 79 R CB 1.520 31.833 30.300 0.022 0.000 1.184 79 R HN 0.471 nan 8.270 nan 0.000 0.440 80 I N 3.811 124.250 120.570 -0.220 0.000 2.452 80 I HA 0.202 4.373 4.170 0.001 0.000 0.287 80 I C -0.220 175.650 176.117 -0.412 0.000 1.079 80 I CA 0.222 61.418 61.300 -0.174 0.000 1.387 80 I CB 0.221 38.154 38.000 -0.112 0.000 1.404 80 I HN 0.289 nan 8.210 nan 0.000 0.522 81 F N 6.736 126.699 119.950 0.022 0.000 2.445 81 F HA 0.450 4.978 4.527 0.001 0.000 0.348 81 F C 0.001 175.812 175.800 0.018 0.000 1.125 81 F CA -0.528 57.482 58.000 0.017 0.000 0.983 81 F CB 1.186 40.193 39.000 0.012 0.000 1.198 81 F HN 0.219 nan 8.300 nan 0.000 0.436 82 L N 4.237 125.544 121.223 0.140 0.000 2.375 82 L HA 0.412 4.753 4.340 0.001 0.000 0.271 82 L C -0.085 176.847 176.870 0.103 0.000 1.107 82 L CA -0.640 54.257 54.840 0.096 0.000 0.806 82 L CB 0.756 42.846 42.059 0.051 0.000 1.146 82 L HN 0.478 nan 8.230 nan 0.000 0.447 83 Q N 0.711 120.559 119.800 0.080 0.000 2.445 83 Q HA 0.344 4.685 4.340 0.001 0.000 0.281 83 Q C -1.237 174.795 176.000 0.053 0.000 1.101 83 Q CA -1.019 54.822 55.803 0.064 0.000 0.833 83 Q CB 1.636 30.406 28.738 0.053 0.000 1.416 83 Q HN 0.436 nan 8.270 nan 0.000 0.451 84 D N 0.929 121.356 120.400 0.046 0.000 2.478 84 D HA 0.068 4.708 4.640 0.001 0.000 0.234 84 D C -0.087 176.251 176.300 0.064 0.000 1.154 84 D CA 0.641 54.670 54.000 0.048 0.000 0.874 84 D CB 0.525 41.351 40.800 0.043 0.000 1.198 84 D HN 0.279 nan 8.370 nan 0.000 0.455 85 I N 2.859 123.476 120.570 0.078 0.000 2.306 85 I HA 0.019 4.190 4.170 0.001 0.000 0.288 85 I C 0.315 176.577 176.117 0.243 0.000 1.036 85 I CA -0.757 60.624 61.300 0.134 0.000 1.221 85 I CB 0.630 38.669 38.000 0.065 0.000 1.385 85 I HN -0.040 nan 8.210 nan 0.000 0.472 86 Q N 6.884 126.827 119.800 0.239 0.000 2.262 86 Q HA 0.063 4.403 4.340 0.001 0.000 0.272 86 Q C 0.069 176.314 176.000 0.409 0.000 1.076 86 Q CA -0.078 55.856 55.803 0.219 0.000 0.905 86 Q CB 0.598 29.339 28.738 0.005 0.000 1.182 86 Q HN 0.577 nan 8.270 nan 0.000 0.390 87 K N 2.802 123.389 120.400 0.311 0.000 2.580 87 K HA 0.056 4.377 4.320 0.001 0.000 0.278 87 K C -2.236 174.448 176.600 0.141 0.000 0.960 87 K CA -0.780 55.592 56.287 0.141 0.000 0.988 87 K CB -0.436 32.101 32.500 0.061 0.000 0.887 87 K HN 0.178 nan 8.250 nan 0.000 0.509 88 P HA 0.077 nan 4.420 nan 0.000 0.277 88 P C -0.118 177.205 177.300 0.039 0.000 1.276 88 P CA -0.465 62.697 63.100 0.104 0.000 0.788 88 P CB 0.450 32.179 31.700 0.048 0.000 1.114 89 D N -0.765 119.653 120.400 0.030 0.000 2.097 89 D HA -0.036 4.604 4.640 0.001 0.000 0.197 89 D C 0.552 176.684 176.300 -0.280 0.000 0.984 89 D CA 1.451 55.395 54.000 -0.094 0.000 0.826 89 D CB 0.163 40.918 40.800 -0.075 0.000 0.973 89 D HN 0.305 nan 8.370 nan 0.000 0.460 90 R N -0.339 119.817 120.500 -0.572 0.000 2.892 90 R HA 0.377 4.717 4.340 0.001 0.000 0.265 90 R C 0.011 175.854 176.300 -0.762 0.000 1.025 90 R CA -0.660 54.968 56.100 -0.788 0.000 0.982 90 R CB 1.335 30.888 30.300 -1.245 0.000 1.185 90 R HN -0.175 nan 8.270 nan 0.000 0.484 91 D N -0.627 119.415 120.400 -0.595 0.000 2.463 91 D HA -0.042 4.598 4.640 0.001 0.000 0.237 91 D C -0.359 175.675 176.300 -0.444 0.000 1.013 91 D CA 0.767 54.543 54.000 -0.373 0.000 0.910 91 D CB 0.416 41.104 40.800 -0.187 0.000 1.080 91 D HN 0.417 nan 8.370 nan 0.000 0.498 92 D N -0.287 119.775 120.400 -0.564 0.000 2.280 92 D HA 0.060 4.701 4.640 0.001 0.000 0.236 92 D C -0.329 175.422 176.300 -0.916 0.000 1.082 92 D CA -0.551 53.089 54.000 -0.599 0.000 0.834 92 D CB 0.776 41.413 40.800 -0.273 0.000 1.100 92 D HN -0.018 nan 8.370 nan 0.000 0.486 93 W N 3.422 123.930 121.300 -1.319 0.000 3.330 93 W HA 0.199 4.860 4.660 0.001 0.000 0.348 93 W C 1.458 177.629 176.519 -0.579 0.000 1.205 93 W CA -0.327 56.499 57.345 -0.865 0.000 1.841 93 W CB 0.297 29.287 29.460 -0.783 0.000 1.084 93 W HN 0.615 nan 8.180 nan 0.000 0.665 94 E N -0.923 119.063 120.200 -0.356 0.000 4.374 94 E HA -0.298 4.052 4.350 0.001 0.000 0.182 94 E C 0.596 177.288 176.600 0.153 0.000 1.240 94 E CA 1.968 58.355 56.400 -0.022 0.000 2.386 94 E CB -1.472 28.218 29.700 -0.015 0.000 1.805 94 E HN 0.215 nan 8.360 nan 0.000 0.421 95 S N -1.963 113.852 115.700 0.191 0.000 2.643 95 S HA 0.593 5.063 4.470 0.001 0.000 0.270 95 S C 0.848 175.665 174.600 0.362 0.000 1.166 95 S CA -0.322 58.026 58.200 0.246 0.000 0.815 95 S CB 1.282 64.564 63.200 0.136 0.000 1.139 95 S HN 0.399 nan 8.310 nan 0.000 0.472 96 G N 0.373 109.291 108.800 0.197 0.000 2.421 96 G HA2 -0.087 3.873 3.960 0.001 0.000 0.216 96 G HA3 -0.087 3.873 3.960 0.001 0.000 0.216 96 G C 1.227 176.262 174.900 0.226 0.000 1.171 96 G CA 1.102 46.179 45.100 -0.039 0.000 0.775 96 G HN 0.770 nan 8.290 nan 0.000 0.543 97 L N 1.310 122.608 121.223 0.125 0.000 2.046 97 L HA -0.000 4.340 4.340 0.001 0.000 0.208 97 L C 2.152 179.120 176.870 0.163 0.000 1.077 97 L CA 2.504 57.410 54.840 0.110 0.000 0.747 97 L CB -0.953 41.135 42.059 0.050 0.000 0.896 97 L HN 0.281 nan 8.230 nan 0.000 0.432 98 N N -0.724 118.079 118.700 0.172 0.000 2.381 98 N HA -0.066 4.674 4.740 0.001 0.000 0.182 98 N C 1.617 177.263 175.510 0.226 0.000 1.025 98 N CA 1.109 54.261 53.050 0.169 0.000 0.888 98 N CB -0.029 38.538 38.487 0.133 0.000 0.965 98 N HN 0.533 nan 8.380 nan 0.000 0.438 99 A N -0.054 122.946 122.820 0.300 0.000 1.903 99 A HA 0.059 4.379 4.320 0.001 0.000 0.213 99 A C 2.060 179.814 177.584 0.283 0.000 1.185 99 A CA 0.606 52.790 52.037 0.245 0.000 0.628 99 A CB -0.259 18.940 19.000 0.332 0.000 0.830 99 A HN 0.236 nan 8.150 nan 0.000 0.446 100 M N -0.071 119.780 119.600 0.419 0.000 2.213 100 M HA -0.137 4.344 4.480 0.001 0.000 0.263 100 M C 1.771 178.229 176.300 0.263 0.000 1.062 100 M CA 1.362 56.908 55.300 0.410 0.000 1.105 100 M CB -1.096 31.701 32.600 0.329 0.000 1.385 100 M HN 0.533 nan 8.290 nan 0.000 0.417 101 E N -0.016 120.304 120.200 0.200 0.000 2.107 101 E HA -0.058 4.293 4.350 0.001 0.000 0.191 101 E C 2.062 178.746 176.600 0.140 0.000 0.982 101 E CA 1.002 57.490 56.400 0.146 0.000 0.809 101 E CB 0.001 29.772 29.700 0.118 0.000 0.756 101 E HN 0.477 nan 8.360 nan 0.000 0.459 102 A N 1.289 124.200 122.820 0.151 0.000 1.969 102 A HA -0.039 4.281 4.320 0.001 0.000 0.218 102 A C 2.313 179.942 177.584 0.075 0.000 1.169 102 A CA 1.431 53.546 52.037 0.131 0.000 0.635 102 A CB -0.394 18.727 19.000 0.201 0.000 0.810 102 A HN 0.279 nan 8.150 nan 0.000 0.445 103 A N -0.406 122.479 122.820 0.107 0.000 1.898 103 A HA 0.024 4.344 4.320 0.001 0.000 0.216 103 A C 2.082 179.775 177.584 0.181 0.000 1.181 103 A CA 1.608 53.744 52.037 0.165 0.000 0.620 103 A CB -0.599 18.672 19.000 0.451 0.000 0.819 103 A HN 0.587 nan 8.150 nan 0.000 0.442 104 L N -0.412 120.916 121.223 0.176 0.000 1.989 104 L HA -0.208 4.132 4.340 0.001 0.000 0.211 104 L C 2.468 179.400 176.870 0.104 0.000 1.071 104 L CA 2.744 57.665 54.840 0.136 0.000 0.749 104 L CB -0.914 41.214 42.059 0.115 0.000 0.890 104 L HN 0.452 nan 8.230 nan 0.000 0.431 105 Q N -0.720 119.136 119.800 0.093 0.000 2.061 105 Q HA -0.229 4.111 4.340 0.001 0.000 0.204 105 Q C 2.165 178.211 176.000 0.076 0.000 0.984 105 Q CA 2.315 58.165 55.803 0.078 0.000 0.846 105 Q CB -0.732 28.053 28.738 0.078 0.000 0.902 105 Q HN 0.536 nan 8.270 nan 0.000 0.421 106 L N 0.486 121.748 121.223 0.066 0.000 1.989 106 L HA -0.180 4.161 4.340 0.001 0.000 0.211 106 L C 1.978 178.892 176.870 0.073 0.000 1.071 106 L CA 2.023 56.892 54.840 0.047 0.000 0.749 106 L CB -0.670 41.352 42.059 -0.062 0.000 0.890 106 L HN 0.172 nan 8.230 nan 0.000 0.431 107 E N 0.369 120.629 120.200 0.100 0.000 2.097 107 E HA -0.259 4.092 4.350 0.001 0.000 0.196 107 E C 2.163 178.814 176.600 0.086 0.000 1.000 107 E CA 1.650 58.119 56.400 0.116 0.000 0.804 107 E CB -0.248 29.538 29.700 0.144 0.000 0.740 107 E HN 0.621 nan 8.360 nan 0.000 0.454 108 K N 0.468 120.914 120.400 0.076 0.000 2.211 108 K HA -0.045 4.275 4.320 0.001 0.000 0.203 108 K C 1.815 178.451 176.600 0.059 0.000 1.050 108 K CA 0.769 57.092 56.287 0.060 0.000 0.945 108 K CB -0.009 32.523 32.500 0.054 0.000 0.732 108 K HN 0.028 nan 8.250 nan 0.000 0.451 109 N N 0.773 119.513 118.700 0.067 0.000 2.135 109 N HA -0.105 4.635 4.740 0.001 0.000 0.186 109 N C 1.899 177.452 175.510 0.070 0.000 1.027 109 N CA 0.918 54.009 53.050 0.067 0.000 0.849 109 N CB -0.374 38.162 38.487 0.081 0.000 1.002 109 N HN -0.072 nan 8.380 nan 0.000 0.425 110 V N 1.994 121.958 119.914 0.083 0.000 2.407 110 V HA -0.183 3.937 4.120 0.001 0.000 0.248 110 V C 2.189 178.323 176.094 0.066 0.000 1.055 110 V CA 1.374 63.725 62.300 0.084 0.000 1.049 110 V CB -0.613 31.271 31.823 0.101 0.000 0.662 110 V HN 0.303 nan 8.190 nan 0.000 0.455 111 N N 0.231 118.968 118.700 0.062 0.000 2.106 111 N HA -0.208 4.533 4.740 0.001 0.000 0.188 111 N C 1.867 177.403 175.510 0.043 0.000 1.029 111 N CA 1.807 54.888 53.050 0.051 0.000 0.848 111 N CB -0.271 38.244 38.487 0.046 0.000 1.007 111 N HN 0.479 nan 8.380 nan 0.000 0.423 112 Q N 0.187 120.012 119.800 0.042 0.000 2.077 112 Q HA -0.098 4.243 4.340 0.001 0.000 0.206 112 Q C 2.131 178.153 176.000 0.036 0.000 0.989 112 Q CA 2.112 57.936 55.803 0.035 0.000 0.853 112 Q CB -1.032 27.727 28.738 0.034 0.000 0.907 112 Q HN 0.311 nan 8.270 nan 0.000 0.418 113 S N -1.068 114.655 115.700 0.039 0.000 2.368 113 S HA -0.074 4.396 4.470 0.001 0.000 0.225 113 S C 1.783 176.402 174.600 0.033 0.000 1.030 113 S CA 1.243 59.464 58.200 0.034 0.000 0.999 113 S CB -0.317 62.906 63.200 0.038 0.000 0.844 113 S HN 0.471 nan 8.310 nan 0.000 0.459 114 L N 0.907 122.152 121.223 0.035 0.000 2.046 114 L HA -0.099 4.242 4.340 0.001 0.000 0.208 114 L C 2.347 179.260 176.870 0.072 0.000 1.077 114 L CA 1.030 55.892 54.840 0.037 0.000 0.747 114 L CB -0.501 41.587 42.059 0.048 0.000 0.896 114 L HN 0.330 nan 8.230 nan 0.000 0.432 115 L N -0.709 120.551 121.223 0.061 0.000 2.046 115 L HA -0.204 4.136 4.340 0.001 0.000 0.208 115 L C 2.742 179.661 176.870 0.081 0.000 1.077 115 L CA 1.159 56.036 54.840 0.061 0.000 0.747 115 L CB -0.632 41.440 42.059 0.022 0.000 0.896 115 L HN 0.294 nan 8.230 nan 0.000 0.432 116 E N 0.013 120.247 120.200 0.057 0.000 2.070 116 E HA -0.277 4.073 4.350 0.001 0.000 0.197 116 E C 2.170 178.807 176.600 0.061 0.000 1.004 116 E CA 1.204 57.633 56.400 0.050 0.000 0.805 116 E CB -0.459 29.260 29.700 0.031 0.000 0.744 116 E HN 0.267 nan 8.360 nan 0.000 0.451 117 L N 1.488 122.746 121.223 0.058 0.000 2.127 117 L HA -0.175 4.165 4.340 0.001 0.000 0.211 117 L C 2.292 179.206 176.870 0.075 0.000 1.089 117 L CA 1.803 56.672 54.840 0.047 0.000 0.757 117 L CB -1.049 41.025 42.059 0.025 0.000 0.899 117 L HN 0.231 nan 8.230 nan 0.000 0.434 118 H N -0.081 119.004 119.070 0.026 0.000 2.363 118 H HA -0.155 4.401 4.556 0.001 0.000 0.301 118 H C 2.246 177.592 175.328 0.031 0.000 1.074 118 H CA 1.835 57.905 56.048 0.038 0.000 1.354 118 H CB 0.330 30.115 29.762 0.039 0.000 1.397 118 H HN 0.341 nan 8.280 nan 0.000 0.516 119 K N 0.213 120.745 120.400 0.220 0.000 2.057 119 K HA -0.137 4.183 4.320 0.001 0.000 0.207 119 K C 2.352 178.994 176.600 0.070 0.000 1.049 119 K CA 1.279 57.653 56.287 0.146 0.000 0.931 119 K CB -0.155 32.400 32.500 0.091 0.000 0.714 119 K HN 0.172 nan 8.250 nan 0.000 0.440 120 L N 1.050 122.298 121.223 0.042 0.000 2.012 120 L HA -0.110 4.230 4.340 0.001 0.000 0.210 120 L C 2.167 179.031 176.870 -0.010 0.000 1.073 120 L CA 2.193 57.038 54.840 0.009 0.000 0.748 120 L CB -0.917 41.141 42.059 -0.002 0.000 0.891 120 L HN 0.210 nan 8.230 nan 0.000 0.431 121 A N -1.470 121.334 122.820 -0.027 0.000 1.883 121 A HA -0.238 4.083 4.320 0.001 0.000 0.217 121 A C 2.333 179.891 177.584 -0.044 0.000 1.186 121 A CA 2.470 54.477 52.037 -0.050 0.000 0.624 121 A CB -1.345 17.589 19.000 -0.110 0.000 0.822 121 A HN 0.528 nan 8.150 nan 0.000 0.444 122 T N -0.101 114.426 114.554 -0.045 0.000 2.708 122 T HA -0.125 4.225 4.350 0.001 0.000 0.266 122 T C 1.594 176.304 174.700 0.016 0.000 1.037 122 T CA 1.596 63.696 62.100 0.000 0.000 1.146 122 T CB -0.439 68.468 68.868 0.064 0.000 0.865 122 T HN 0.473 nan 8.240 nan 0.000 0.435 123 D N 0.906 121.317 120.400 0.017 0.000 2.117 123 D HA -0.057 4.583 4.640 0.001 0.000 0.197 123 D C 1.917 178.220 176.300 0.005 0.000 0.987 123 D CA 0.952 54.960 54.000 0.014 0.000 0.829 123 D CB -0.108 40.699 40.800 0.012 0.000 0.961 123 D HN 0.189 nan 8.370 nan 0.000 0.460 124 K N 0.919 121.317 120.400 -0.003 0.000 2.525 124 K HA 0.040 4.361 4.320 0.001 0.000 0.192 124 K C 0.001 176.604 176.600 0.005 0.000 1.029 124 K CA -0.273 56.009 56.287 -0.007 0.000 1.029 124 K CB -0.623 31.862 32.500 -0.025 0.000 0.814 124 K HN 0.115 nan 8.250 nan 0.000 0.503 125 N N 2.506 121.213 118.700 0.011 0.000 2.648 125 N HA -0.188 4.552 4.740 0.001 0.000 0.265 125 N C -1.090 174.438 175.510 0.030 0.000 1.100 125 N CA 0.608 53.670 53.050 0.020 0.000 0.715 125 N CB -0.605 37.894 38.487 0.020 0.000 0.881 125 N HN 0.250 nan 8.380 nan 0.000 0.548 126 D N 0.245 120.663 120.400 0.030 0.000 2.400 126 D HA 0.298 4.938 4.640 0.001 0.000 0.272 126 D C -1.791 174.547 176.300 0.063 0.000 1.220 126 D CA -1.741 52.295 54.000 0.062 0.000 0.897 126 D CB 1.138 41.984 40.800 0.077 0.000 1.134 126 D HN 0.072 nan 8.370 nan 0.000 0.507 127 P HA -0.109 nan 4.420 nan 0.000 0.217 127 P C 1.227 178.588 177.300 0.103 0.000 1.150 127 P CA 1.005 64.147 63.100 0.070 0.000 0.832 127 P CB 0.229 31.974 31.700 0.074 0.000 0.787 128 H N -0.719 118.385 119.070 0.056 0.000 2.421 128 H HA -0.085 4.472 4.556 0.001 0.000 0.298 128 H C 1.735 177.135 175.328 0.119 0.000 1.087 128 H CA 1.127 57.222 56.048 0.079 0.000 1.330 128 H CB -0.514 29.272 29.762 0.040 0.000 1.388 128 H HN -0.064 nan 8.280 nan 0.000 0.526 129 L N -0.589 120.748 121.223 0.190 0.000 2.209 129 L HA 0.071 4.412 4.340 0.001 0.000 0.207 129 L C 2.221 179.145 176.870 0.089 0.000 1.094 129 L CA 1.220 56.159 54.840 0.164 0.000 0.790 129 L CB -0.571 41.597 42.059 0.181 0.000 0.932 129 L HN 0.169 nan 8.230 nan 0.000 0.447 130 S N -0.410 115.280 115.700 -0.017 0.000 2.368 130 S HA -0.201 4.270 4.470 0.001 0.000 0.225 130 S C 1.593 176.185 174.600 -0.013 0.000 1.030 130 S CA 1.612 59.696 58.200 -0.193 0.000 0.999 130 S CB -0.282 62.771 63.200 -0.244 0.000 0.844 130 S HN 0.605 nan 8.310 nan 0.000 0.459 131 D N -0.080 120.348 120.400 0.047 0.000 2.194 131 D HA 0.016 4.656 4.640 0.001 0.000 0.204 131 D C 1.579 177.938 176.300 0.098 0.000 0.964 131 D CA 0.395 54.436 54.000 0.068 0.000 0.846 131 D CB -0.136 40.685 40.800 0.034 0.000 0.962 131 D HN 0.290 nan 8.370 nan 0.000 0.490 132 F N 0.796 120.734 119.950 -0.020 0.000 2.126 132 F HA -0.180 4.348 4.527 0.001 0.000 0.299 132 F C 1.893 177.846 175.800 0.256 0.000 1.096 132 F CA 1.218 59.279 58.000 0.101 0.000 1.255 132 F CB -0.014 38.992 39.000 0.009 0.000 0.997 132 F HN -0.011 nan 8.300 nan 0.000 0.479 133 I N 0.261 121.036 120.570 0.341 0.000 2.163 133 I HA -0.238 3.933 4.170 0.001 0.000 0.240 133 I C 2.252 178.516 176.117 0.246 0.000 1.081 133 I CA 1.430 62.922 61.300 0.320 0.000 1.353 133 I CB -1.558 36.592 38.000 0.251 0.000 1.054 133 I HN 0.215 nan 8.210 nan 0.000 0.407 134 E N 0.600 120.931 120.200 0.218 0.000 2.086 134 E HA -0.251 4.099 4.350 0.001 0.000 0.205 134 E C 2.121 178.728 176.600 0.012 0.000 1.027 134 E CA 2.471 58.950 56.400 0.132 0.000 0.830 134 E CB -0.204 29.575 29.700 0.131 0.000 0.751 134 E HN 0.421 nan 8.360 nan 0.000 0.456 135 T N -0.665 113.844 114.554 -0.076 0.000 2.857 135 T HA -0.065 4.286 4.350 0.001 0.000 0.266 135 T C 1.218 175.654 174.700 -0.440 0.000 1.048 135 T CA 0.889 62.818 62.100 -0.284 0.000 1.139 135 T CB 0.001 68.617 68.868 -0.420 0.000 0.874 135 T HN 0.228 nan 8.240 nan 0.000 0.455 136 H N -1.480 117.458 119.070 -0.220 0.000 2.755 136 H HA 0.298 4.854 4.556 0.001 0.000 0.273 136 H C 0.350 175.339 175.328 -0.565 0.000 1.055 136 H CA 0.113 55.913 56.048 -0.414 0.000 1.191 136 H CB 0.778 30.109 29.762 -0.718 0.000 1.536 136 H HN 0.403 nan 8.280 nan 0.000 0.529 137 Y N -1.137 119.155 120.300 -0.013 0.000 3.260 137 Y HA 0.081 4.631 4.550 0.001 0.000 0.202 137 Y C 2.207 178.081 175.900 -0.044 0.000 0.962 137 Y CA -0.228 57.847 58.100 -0.042 0.000 1.582 137 Y CB 0.240 38.698 38.460 -0.003 0.000 1.478 137 Y HN -0.140 nan 8.280 nan 0.000 0.384 138 L N 0.748 122.066 121.223 0.158 0.000 2.012 138 L HA -0.260 4.080 4.340 0.001 0.000 0.210 138 L C 1.720 178.603 176.870 0.021 0.000 1.073 138 L CA 1.732 56.617 54.840 0.075 0.000 0.748 138 L CB -0.611 41.485 42.059 0.062 0.000 0.891 138 L HN 0.380 nan 8.230 nan 0.000 0.431 139 N N -0.187 118.512 118.700 -0.002 0.000 2.069 139 N HA -0.186 4.554 4.740 0.001 0.000 0.191 139 N C 1.722 177.216 175.510 -0.028 0.000 1.031 139 N CA 1.672 54.706 53.050 -0.027 0.000 0.852 139 N CB -0.707 37.747 38.487 -0.054 0.000 1.018 139 N HN 0.353 nan 8.380 nan 0.000 0.423 140 C N 1.155 120.434 119.300 -0.035 0.000 2.522 140 C HA 0.115 4.576 4.460 0.001 0.000 0.271 140 C C 2.353 177.333 174.990 -0.016 0.000 1.425 140 C CA 0.010 59.012 59.018 -0.026 0.000 1.751 140 C CB -0.751 26.983 27.740 -0.011 0.000 1.775 140 C HN 0.372 nan 8.230 nan 0.000 0.557 141 Q N -0.388 119.406 119.800 -0.010 0.000 2.250 141 Q HA 0.011 4.351 4.340 0.001 0.000 0.200 141 Q C 2.426 178.434 176.000 0.013 0.000 0.941 141 Q CA 0.907 56.715 55.803 0.008 0.000 0.872 141 Q CB -0.268 28.484 28.738 0.024 0.000 0.965 141 Q HN 0.522 nan 8.270 nan 0.000 0.480 142 V N 0.639 120.555 119.914 0.004 0.000 2.287 142 V HA -0.327 3.793 4.120 0.001 0.000 0.248 142 V C 2.484 178.575 176.094 -0.005 0.000 1.053 142 V CA 1.650 63.950 62.300 -0.001 0.000 1.027 142 V CB -0.669 31.149 31.823 -0.008 0.000 0.646 142 V HN 0.360 nan 8.190 nan 0.000 0.447 143 C N 0.104 119.397 119.300 -0.011 0.000 2.388 143 C HA -0.218 4.243 4.460 0.001 0.000 0.277 143 C C 3.113 178.096 174.990 -0.012 0.000 1.210 143 C CA 1.134 60.142 59.018 -0.016 0.000 1.743 143 C CB -1.458 26.270 27.740 -0.021 0.000 2.047 143 C HN 0.654 nan 8.230 nan 0.000 0.458 144 A N 0.097 122.918 122.820 0.003 0.000 1.917 144 A HA -0.202 4.119 4.320 0.001 0.000 0.219 144 A C 1.994 179.592 177.584 0.024 0.000 1.182 144 A CA 2.071 54.119 52.037 0.019 0.000 0.633 144 A CB -0.694 18.332 19.000 0.044 0.000 0.819 144 A HN 0.656 nan 8.150 nan 0.000 0.448 145 I N -0.894 119.691 120.570 0.025 0.000 2.226 145 I HA -0.237 3.934 4.170 0.001 0.000 0.245 145 I C 2.494 178.609 176.117 -0.003 0.000 1.100 145 I CA 1.855 63.172 61.300 0.027 0.000 1.374 145 I CB -0.138 37.880 38.000 0.029 0.000 1.057 145 I HN 0.314 nan 8.210 nan 0.000 0.413 146 K N 0.649 121.036 120.400 -0.021 0.000 2.103 146 K HA -0.115 4.206 4.320 0.001 0.000 0.204 146 K C 2.118 178.661 176.600 -0.096 0.000 1.052 146 K CA 1.442 57.704 56.287 -0.041 0.000 0.945 146 K CB -0.494 31.986 32.500 -0.033 0.000 0.722 146 K HN 0.272 nan 8.250 nan 0.000 0.443 147 C N 0.446 119.674 119.300 -0.119 0.000 2.413 147 C HA -0.084 4.376 4.460 0.001 0.000 0.277 147 C C 2.475 177.161 174.990 -0.506 0.000 1.228 147 C CA 0.926 59.782 59.018 -0.270 0.000 1.731 147 C CB -1.006 26.644 27.740 -0.150 0.000 2.042 147 C HN 0.512 nan 8.230 nan 0.000 0.468 148 L N 0.607 121.700 121.223 -0.216 0.000 2.046 148 L HA -0.048 4.293 4.340 0.001 0.000 0.208 148 L C 2.824 179.662 176.870 -0.054 0.000 1.077 148 L CA 1.704 56.495 54.840 -0.082 0.000 0.747 148 L CB -1.238 40.890 42.059 0.115 0.000 0.896 148 L HN 0.537 nan 8.230 nan 0.000 0.432 149 G N -0.032 108.742 108.800 -0.045 0.000 2.476 149 G HA2 -0.295 3.666 3.960 0.001 0.000 0.218 149 G HA3 -0.295 3.666 3.960 0.001 0.000 0.218 149 G C 1.111 176.001 174.900 -0.018 0.000 1.164 149 G CA 1.141 46.233 45.100 -0.012 0.000 0.768 149 G HN 0.320 nan 8.290 nan 0.000 0.560 150 D N 0.107 120.463 120.400 -0.073 0.000 2.117 150 D HA -0.075 4.565 4.640 0.001 0.000 0.197 150 D C 2.250 178.609 176.300 0.100 0.000 0.987 150 D CA 0.973 54.965 54.000 -0.013 0.000 0.829 150 D CB -0.454 40.321 40.800 -0.043 0.000 0.961 150 D HN 0.316 nan 8.370 nan 0.000 0.460 151 H N 0.219 119.322 119.070 0.055 0.000 2.353 151 H HA -0.021 4.536 4.556 0.001 0.000 0.300 151 H C 2.415 177.678 175.328 -0.109 0.000 1.090 151 H CA 0.478 56.547 56.048 0.035 0.000 1.327 151 H CB -0.714 29.060 29.762 0.020 0.000 1.383 151 H HN 0.021 nan 8.280 nan 0.000 0.508 152 V N 0.465 120.431 119.914 0.086 0.000 2.490 152 V HA -0.230 3.890 4.120 0.001 0.000 0.250 152 V C 2.358 178.458 176.094 0.009 0.000 1.061 152 V CA 2.174 64.493 62.300 0.032 0.000 1.064 152 V CB -0.733 31.125 31.823 0.057 0.000 0.670 152 V HN 0.455 nan 8.190 nan 0.000 0.461 153 T N -0.237 114.335 114.554 0.029 0.000 2.857 153 T HA -0.103 4.248 4.350 0.001 0.000 0.266 153 T C 1.884 176.601 174.700 0.028 0.000 1.048 153 T CA 1.207 63.324 62.100 0.028 0.000 1.139 153 T CB -0.272 68.617 68.868 0.035 0.000 0.874 153 T HN 0.436 nan 8.240 nan 0.000 0.455 154 N N 1.111 119.840 118.700 0.047 0.000 2.135 154 N HA 0.077 4.817 4.740 0.001 0.000 0.186 154 N C 1.953 177.450 175.510 -0.021 0.000 1.027 154 N CA 0.815 53.908 53.050 0.072 0.000 0.849 154 N CB -0.334 38.302 38.487 0.249 0.000 1.002 154 N HN 0.307 nan 8.380 nan 0.000 0.425 155 L N 1.151 122.260 121.223 -0.190 0.000 2.012 155 L HA -0.152 4.189 4.340 0.001 0.000 0.210 155 L C 2.621 179.450 176.870 -0.069 0.000 1.073 155 L CA 1.199 55.905 54.840 -0.223 0.000 0.748 155 L CB -0.253 41.608 42.059 -0.331 0.000 0.891 155 L HN 0.110 nan 8.230 nan 0.000 0.431 156 R N 0.100 120.577 120.500 -0.038 0.000 2.088 156 R HA -0.190 4.150 4.340 0.001 0.000 0.232 156 R C 2.267 178.571 176.300 0.006 0.000 1.136 156 R CA 1.662 57.759 56.100 -0.005 0.000 0.926 156 R CB -0.283 30.020 30.300 0.006 0.000 0.837 156 R HN 0.245 nan 8.270 nan 0.000 0.429 157 K N 0.060 120.467 120.400 0.011 0.000 2.360 157 K HA -0.111 4.210 4.320 0.001 0.000 0.201 157 K C 1.821 178.436 176.600 0.024 0.000 1.046 157 K CA 1.082 57.381 56.287 0.019 0.000 0.940 157 K CB -0.004 32.510 32.500 0.024 0.000 0.748 157 K HN 0.264 nan 8.250 nan 0.000 0.465 158 M N -0.924 118.692 119.600 0.026 0.000 2.595 158 M HA 0.031 4.511 4.480 0.001 0.000 0.248 158 M C 0.874 177.196 176.300 0.036 0.000 1.119 158 M CA 0.720 56.043 55.300 0.040 0.000 1.079 158 M CB 0.690 33.328 32.600 0.063 0.000 1.472 158 M HN 0.409 nan 8.290 nan 0.000 0.501 159 G N 0.522 109.338 108.800 0.026 0.000 2.148 159 G HA2 -0.134 3.826 3.960 0.001 0.000 0.203 159 G HA3 -0.134 3.826 3.960 0.001 0.000 0.203 159 G C 0.092 175.008 174.900 0.027 0.000 0.993 159 G CA -0.089 45.027 45.100 0.026 0.000 0.661 159 G HN 0.636 nan 8.290 nan 0.000 0.518 160 A N 0.596 123.428 122.820 0.021 0.000 2.351 160 A HA 0.770 5.090 4.320 0.001 0.000 0.257 160 A C -0.521 177.076 177.584 0.020 0.000 1.087 160 A CA -0.593 51.456 52.037 0.020 0.000 0.798 160 A CB 0.756 19.757 19.000 0.002 0.000 1.033 160 A HN 0.191 nan 8.150 nan 0.000 0.488 161 P HA 0.069 nan 4.420 nan 0.000 0.266 161 P C 0.425 177.747 177.300 0.037 0.000 1.381 161 P CA 0.174 63.295 63.100 0.035 0.000 0.940 161 P CB 0.232 31.959 31.700 0.045 0.000 1.435 162 E N -0.327 119.892 120.200 0.031 0.000 2.511 162 E HA 0.004 4.354 4.350 0.001 0.000 0.196 162 E C 0.100 176.719 176.600 0.031 0.000 1.066 162 E CA 0.127 56.544 56.400 0.029 0.000 0.871 162 E CB -0.010 29.704 29.700 0.023 0.000 0.863 162 E HN 0.033 nan 8.360 nan 0.000 0.520 163 S N 0.021 115.744 115.700 0.038 0.000 2.542 163 S HA 0.416 4.887 4.470 0.001 0.000 0.245 163 S C 0.860 175.497 174.600 0.062 0.000 1.325 163 S CA -0.192 58.034 58.200 0.044 0.000 1.176 163 S CB 0.907 64.133 63.200 0.043 0.000 1.045 163 S HN 0.234 nan 8.310 nan 0.000 0.481 164 G N 3.467 112.303 108.800 0.059 0.000 2.499 164 G HA2 -0.161 3.800 3.960 0.001 0.000 0.221 164 G HA3 -0.161 3.800 3.960 0.001 0.000 0.221 164 G C 1.173 176.144 174.900 0.119 0.000 1.109 164 G CA 0.910 46.058 45.100 0.081 0.000 0.749 164 G HN 0.649 nan 8.290 nan 0.000 0.568 165 L N 1.252 122.530 121.223 0.092 0.000 2.056 165 L HA 0.179 4.519 4.340 0.001 0.000 0.207 165 L C 3.040 180.021 176.870 0.186 0.000 1.078 165 L CA 1.966 56.877 54.840 0.118 0.000 0.749 165 L CB -0.969 41.129 42.059 0.063 0.000 0.901 165 L HN 0.229 nan 8.230 nan 0.000 0.433 166 A N -0.557 122.347 122.820 0.140 0.000 1.851 166 A HA -0.249 4.072 4.320 0.001 0.000 0.216 166 A C 2.122 179.836 177.584 0.216 0.000 1.195 166 A CA 1.950 54.078 52.037 0.151 0.000 0.622 166 A CB -0.763 18.293 19.000 0.093 0.000 0.831 166 A HN 0.597 nan 8.150 nan 0.000 0.444 167 E N -1.673 118.639 120.200 0.186 0.000 2.085 167 E HA -0.254 4.097 4.350 0.001 0.000 0.194 167 E C 1.914 178.713 176.600 0.331 0.000 0.994 167 E CA 1.660 58.195 56.400 0.226 0.000 0.801 167 E CB -0.389 29.360 29.700 0.081 0.000 0.743 167 E HN 0.819 nan 8.360 nan 0.000 0.453 168 Y N 1.584 121.985 120.300 0.168 0.000 2.114 168 Y HA -0.215 4.336 4.550 0.001 0.000 0.284 168 Y C 2.142 178.149 175.900 0.179 0.000 1.143 168 Y CA 1.483 59.677 58.100 0.156 0.000 1.135 168 Y CB -0.288 38.233 38.460 0.101 0.000 0.980 168 Y HN -0.086 nan 8.280 nan 0.000 0.499 169 L N -1.018 120.416 121.223 0.351 0.000 2.042 169 L HA -0.223 4.118 4.340 0.001 0.000 0.210 169 L C 2.382 179.364 176.870 0.187 0.000 1.076 169 L CA 1.645 56.651 54.840 0.275 0.000 0.749 169 L CB -0.793 41.436 42.059 0.284 0.000 0.893 169 L HN 0.319 nan 8.230 nan 0.000 0.432 170 F N 1.524 121.516 119.950 0.071 0.000 2.043 170 F HA -0.346 4.181 4.527 0.001 0.000 0.297 170 F C 2.323 178.052 175.800 -0.120 0.000 1.121 170 F CA 2.217 60.213 58.000 -0.007 0.000 1.199 170 F CB -0.378 38.641 39.000 0.032 0.000 0.968 170 F HN 0.222 nan 8.300 nan 0.000 0.478 171 D N -0.136 120.346 120.400 0.137 0.000 2.170 171 D HA -0.252 4.388 4.640 0.001 0.000 0.193 171 D C 2.046 178.161 176.300 -0.309 0.000 1.004 171 D CA 1.959 55.906 54.000 -0.089 0.000 0.860 171 D CB -0.065 40.829 40.800 0.156 0.000 0.931 171 D HN 0.182 nan 8.370 nan 0.000 0.448 172 K N -0.703 119.510 120.400 -0.311 0.000 2.021 172 K HA -0.073 4.248 4.320 0.001 0.000 0.205 172 K C 2.390 178.764 176.600 -0.378 0.000 1.047 172 K CA 1.084 57.150 56.287 -0.368 0.000 0.943 172 K CB -0.543 31.706 32.500 -0.419 0.000 0.725 172 K HN 0.497 nan 8.250 nan 0.000 0.439 173 H N -0.103 118.792 119.070 -0.293 0.000 2.415 173 H HA 0.046 4.603 4.556 0.001 0.000 0.297 173 H C 1.629 176.729 175.328 -0.380 0.000 1.048 173 H CA 1.327 57.215 56.048 -0.266 0.000 1.365 173 H CB 0.516 30.169 29.762 -0.182 0.000 1.421 173 H HN 0.159 nan 8.280 nan 0.000 0.533 174 T N 0.549 114.787 114.554 -0.526 0.000 3.033 174 T HA 0.119 4.470 4.350 0.001 0.000 0.248 174 T C 2.117 176.379 174.700 -0.731 0.000 1.040 174 T CA 0.144 61.802 62.100 -0.736 0.000 1.133 174 T CB 0.227 68.314 68.868 -1.302 0.000 0.895 174 T HN 0.108 nan 8.240 nan 0.000 0.465 175 L N 0.928 121.665 121.223 -0.811 0.000 2.567 175 L HA 0.326 4.667 4.340 0.001 0.000 0.225 175 L C 1.670 178.298 176.870 -0.403 0.000 1.119 175 L CA -0.441 54.005 54.840 -0.658 0.000 0.871 175 L CB -0.456 41.097 42.059 -0.843 0.000 1.036 175 L HN 0.202 nan 8.230 nan 0.000 0.459 176 G N 0.000 108.586 108.800 -0.357 0.000 5.446 176 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 176 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 176 G CA 0.000 44.945 45.100 -0.258 0.000 0.502 176 G HN 0.000 nan 8.290 nan 0.000 0.925