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 3pde_1_D DATA FIRST_RESID 1 DATA SEQUENCE SLINARLIAF EDQWVPALNA PLKQAILADS QDAQLAAAMT YSVLAGGKRL DATA SEQUENCE RPLLTVATMQ SLGVTFVPER HWRPVMALEL LHTYSLIHDD LPAMDNDALR DATA SEQUENCE RGEPTNHVKF GAGMATLAGD GLLTLAFQWL TATDLPATMQ AALVQALATA DATA SEQUENCE AGPSGMVAGQ AKDIQSEHVN LPLSQLRVLH KEKTGALLHY AVQAGLILGQ DATA SEQUENCE APEAQWPAYL QFADAFGLAF QIYDDILDVV SSPAXXXXXX XXXADEAKNT DATA SEQUENCE YPGKLGLIGA NQALIDTIHS GQAALQGLPT STQRDDLAAF FSYFDTERVN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.617 174.600 0.028 0.000 1.055 1 S CA 0.000 58.230 58.200 0.050 0.000 1.107 1 S CB 0.000 63.226 63.200 0.043 0.000 0.593 2 L N 3.972 125.205 121.223 0.017 0.000 2.693 2 L HA 0.454 4.794 4.340 0.000 0.000 0.235 2 L C 0.338 177.189 176.870 -0.032 0.000 1.127 2 L CA -0.097 54.743 54.840 0.001 0.000 0.914 2 L CB 0.035 42.102 42.059 0.013 0.000 1.193 2 L HN 0.625 nan 8.230 nan 0.000 0.502 3 I N 2.694 123.232 120.570 -0.055 0.000 2.821 3 I HA -0.164 4.006 4.170 0.000 0.000 0.294 3 I C 0.502 176.558 176.117 -0.101 0.000 1.210 3 I CA 0.185 61.411 61.300 -0.124 0.000 1.430 3 I CB 0.015 37.941 38.000 -0.123 0.000 1.356 3 I HN 0.374 nan 8.210 nan 0.000 0.563 4 N N 5.721 124.346 118.700 -0.124 0.000 2.491 4 N HA 0.412 5.153 4.740 0.000 0.000 0.279 4 N C 0.615 176.075 175.510 -0.083 0.000 1.236 4 N CA -0.321 52.681 53.050 -0.081 0.000 0.982 4 N CB 0.724 39.175 38.487 -0.059 0.000 1.194 4 N HN 0.515 nan 8.380 nan 0.000 0.582 5 A N 0.035 122.825 122.820 -0.051 0.000 1.933 5 A HA -0.110 4.210 4.320 0.000 0.000 0.218 5 A C 2.141 179.703 177.584 -0.036 0.000 1.175 5 A CA 1.055 53.070 52.037 -0.038 0.000 0.628 5 A CB -0.639 18.348 19.000 -0.021 0.000 0.814 5 A HN 0.694 nan 8.150 nan 0.000 0.444 6 R N -1.298 119.178 120.500 -0.040 0.000 2.081 6 R HA -0.097 4.243 4.340 0.000 0.000 0.235 6 R C 2.124 178.397 176.300 -0.046 0.000 1.131 6 R CA 1.445 57.532 56.100 -0.022 0.000 0.960 6 R CB -0.494 29.789 30.300 -0.027 0.000 0.856 6 R HN 0.502 nan 8.270 nan 0.000 0.436 7 L N 0.747 121.877 121.223 -0.155 0.000 2.027 7 L HA -0.109 4.231 4.340 0.000 0.000 0.206 7 L C 2.040 178.802 176.870 -0.181 0.000 1.074 7 L CA 1.482 56.139 54.840 -0.303 0.000 0.745 7 L CB -0.428 41.298 42.059 -0.554 0.000 0.898 7 L HN 0.046 nan 8.230 nan 0.000 0.433 8 I N -0.124 120.369 120.570 -0.129 0.000 2.286 8 I HA -0.182 3.988 4.170 0.000 0.000 0.248 8 I C 2.416 178.528 176.117 -0.008 0.000 1.115 8 I CA 1.438 62.701 61.300 -0.062 0.000 1.392 8 I CB -0.692 37.277 38.000 -0.051 0.000 1.065 8 I HN 0.311 nan 8.210 nan 0.000 0.418 9 A N -0.394 122.432 122.820 0.008 0.000 1.902 9 A HA -0.248 4.072 4.320 0.000 0.000 0.217 9 A C 2.324 179.949 177.584 0.067 0.000 1.181 9 A CA 1.738 53.790 52.037 0.025 0.000 0.623 9 A CB -1.220 17.800 19.000 0.034 0.000 0.818 9 A HN 0.472 nan 8.150 nan 0.000 0.443 10 F N 0.743 120.690 119.950 -0.005 0.000 2.075 10 F HA -0.142 4.385 4.527 0.000 0.000 0.297 10 F C 2.325 178.212 175.800 0.146 0.000 1.113 10 F CA 2.168 60.233 58.000 0.110 0.000 1.218 10 F CB -0.255 38.778 39.000 0.055 0.000 0.984 10 F HN 0.342 nan 8.300 nan 0.000 0.472 11 E N 0.042 120.363 120.200 0.202 0.000 2.021 11 E HA -0.282 4.068 4.350 0.000 0.000 0.200 11 E C 1.913 178.530 176.600 0.028 0.000 1.015 11 E CA 1.739 58.218 56.400 0.131 0.000 0.824 11 E CB -0.444 29.312 29.700 0.095 0.000 0.762 11 E HN 0.384 nan 8.360 nan 0.000 0.454 12 D N 0.171 120.567 120.400 -0.007 0.000 2.172 12 D HA -0.212 4.429 4.640 0.000 0.000 0.196 12 D C 1.900 178.127 176.300 -0.122 0.000 0.999 12 D CA 1.147 55.119 54.000 -0.047 0.000 0.856 12 D CB -0.276 40.497 40.800 -0.045 0.000 0.934 12 D HN 0.239 nan 8.370 nan 0.000 0.453 13 Q N -1.113 118.561 119.800 -0.211 0.000 2.016 13 Q HA -0.141 4.199 4.340 0.000 0.000 0.200 13 Q C 1.944 177.637 176.000 -0.512 0.000 0.978 13 Q CA 1.279 56.821 55.803 -0.435 0.000 0.833 13 Q CB -0.156 28.198 28.738 -0.640 0.000 0.895 13 Q HN 0.370 nan 8.270 nan 0.000 0.427 14 W N -0.569 120.540 121.300 -0.319 0.000 2.576 14 W HA 0.034 4.694 4.660 0.000 0.000 0.275 14 W C 2.100 178.530 176.519 -0.148 0.000 1.241 14 W CA 0.021 57.175 57.345 -0.317 0.000 1.328 14 W CB 0.036 29.172 29.460 -0.540 0.000 1.092 14 W HN -0.014 nan 8.180 nan 0.000 0.586 15 V N 1.663 121.649 119.914 0.120 0.000 2.261 15 V HA -0.247 3.873 4.120 0.000 0.000 0.246 15 V C -0.421 175.727 176.094 0.090 0.000 1.047 15 V CA 1.991 64.361 62.300 0.116 0.000 1.015 15 V CB -2.094 29.789 31.823 0.101 0.000 0.642 15 V HN -0.039 nan 8.190 nan 0.000 0.446 16 P HA -0.160 nan 4.420 nan 0.000 0.215 16 P C 1.695 179.015 177.300 0.033 0.000 1.153 16 P CA 2.121 65.234 63.100 0.021 0.000 0.853 16 P CB -0.196 31.488 31.700 -0.026 0.000 0.788 17 A N -0.522 122.296 122.820 -0.002 0.000 1.908 17 A HA -0.174 4.146 4.320 0.000 0.000 0.218 17 A C 2.245 179.949 177.584 0.199 0.000 1.181 17 A CA 1.562 53.612 52.037 0.021 0.000 0.627 17 A CB -1.671 17.255 19.000 -0.123 0.000 0.818 17 A HN 0.123 nan 8.150 nan 0.000 0.445 18 L N -0.585 120.812 121.223 0.290 0.000 2.141 18 L HA -0.143 4.197 4.340 0.000 0.000 0.209 18 L C 2.166 179.357 176.870 0.534 0.000 1.094 18 L CA 1.014 56.143 54.840 0.481 0.000 0.763 18 L CB -0.547 41.682 42.059 0.284 0.000 0.908 18 L HN 0.341 nan 8.230 nan 0.000 0.437 19 N N 0.265 119.146 118.700 0.303 0.000 2.300 19 N HA -0.062 4.678 4.740 0.000 0.000 0.179 19 N C 1.923 177.565 175.510 0.221 0.000 1.016 19 N CA 1.230 54.436 53.050 0.261 0.000 0.876 19 N CB -0.209 38.373 38.487 0.159 0.000 0.979 19 N HN 0.239 nan 8.380 nan 0.000 0.432 20 A N 1.629 124.526 122.820 0.129 0.000 1.892 20 A HA -0.120 4.200 4.320 0.000 0.000 0.218 20 A C -0.324 177.237 177.584 -0.038 0.000 1.188 20 A CA 1.544 53.597 52.037 0.027 0.000 0.631 20 A CB -1.583 17.400 19.000 -0.027 0.000 0.822 20 A HN 0.272 nan 8.150 nan 0.000 0.447 21 P HA 0.113 nan 4.420 nan 0.000 0.245 21 P C 1.154 178.399 177.300 -0.093 0.000 1.212 21 P CA 0.118 62.976 63.100 -0.403 0.000 0.774 21 P CB 0.003 30.933 31.700 -1.282 0.000 0.999 22 L N 0.081 121.470 121.223 0.277 0.000 1.989 22 L HA -0.224 4.116 4.340 0.000 0.000 0.211 22 L C 2.564 179.630 176.870 0.327 0.000 1.071 22 L CA 1.786 56.921 54.840 0.492 0.000 0.749 22 L CB -0.707 41.612 42.059 0.433 0.000 0.890 22 L HN -0.029 nan 8.230 nan 0.000 0.431 23 K N -0.523 119.994 120.400 0.195 0.000 2.026 23 K HA -0.254 4.066 4.320 0.000 0.000 0.208 23 K C 2.309 178.991 176.600 0.136 0.000 1.048 23 K CA 1.461 57.840 56.287 0.153 0.000 0.929 23 K CB -0.111 32.454 32.500 0.108 0.000 0.713 23 K HN 0.193 nan 8.250 nan 0.000 0.439 24 Q N 0.368 120.220 119.800 0.088 0.000 2.119 24 Q HA -0.125 4.216 4.340 0.000 0.000 0.201 24 Q C 1.827 177.884 176.000 0.095 0.000 0.972 24 Q CA 1.700 57.536 55.803 0.056 0.000 0.847 24 Q CB -0.099 28.632 28.738 -0.012 0.000 0.903 24 Q HN 0.424 nan 8.270 nan 0.000 0.433 25 A N 0.697 123.602 122.820 0.142 0.000 1.873 25 A HA -0.108 4.212 4.320 0.000 0.000 0.215 25 A C 2.178 180.010 177.584 0.414 0.000 1.186 25 A CA 1.124 53.300 52.037 0.231 0.000 0.616 25 A CB -0.627 18.527 19.000 0.257 0.000 0.823 25 A HN 0.397 nan 8.150 nan 0.000 0.442 26 I N -0.786 120.055 120.570 0.452 0.000 2.179 26 I HA -0.240 3.930 4.170 0.000 0.000 0.242 26 I C 2.433 178.673 176.117 0.205 0.000 1.088 26 I CA 1.180 62.682 61.300 0.337 0.000 1.357 26 I CB -0.329 37.809 38.000 0.230 0.000 1.051 26 I HN 0.350 nan 8.210 nan 0.000 0.409 27 L N 1.310 122.630 121.223 0.162 0.000 2.012 27 L HA -0.196 4.144 4.340 0.000 0.000 0.210 27 L C 2.592 179.526 176.870 0.108 0.000 1.073 27 L CA 2.217 57.124 54.840 0.112 0.000 0.748 27 L CB -0.903 41.209 42.059 0.089 0.000 0.891 27 L HN 0.219 nan 8.230 nan 0.000 0.431 28 A N -1.280 121.612 122.820 0.119 0.000 1.978 28 A HA -0.201 4.119 4.320 0.000 0.000 0.220 28 A C 1.722 179.377 177.584 0.119 0.000 1.170 28 A CA 1.948 54.045 52.037 0.100 0.000 0.636 28 A CB -0.627 18.424 19.000 0.085 0.000 0.810 28 A HN 0.544 nan 8.150 nan 0.000 0.448 29 D N -0.344 120.160 120.400 0.173 0.000 2.342 29 D HA 0.203 4.843 4.640 0.000 0.000 0.221 29 D C -0.195 176.176 176.300 0.119 0.000 1.101 29 D CA 0.263 54.372 54.000 0.181 0.000 0.837 29 D CB 0.355 41.346 40.800 0.319 0.000 0.938 29 D HN 0.247 nan 8.370 nan 0.000 0.508 30 S N 0.059 115.815 115.700 0.093 0.000 2.607 30 S HA 0.372 4.842 4.470 0.000 0.000 0.303 30 S C 0.509 175.138 174.600 0.048 0.000 1.086 30 S CA -0.646 57.589 58.200 0.059 0.000 0.995 30 S CB 2.487 65.717 63.200 0.050 0.000 1.084 30 S HN -0.092 nan 8.310 nan 0.000 0.507 31 Q N 1.269 121.089 119.800 0.035 0.000 2.110 31 Q HA 0.314 4.654 4.340 0.000 0.000 0.232 31 Q C -1.288 174.727 176.000 0.025 0.000 0.810 31 Q CA 0.056 55.878 55.803 0.030 0.000 1.083 31 Q CB 0.676 29.431 28.738 0.027 0.000 1.193 31 Q HN 0.723 nan 8.270 nan 0.000 0.471 32 D N -1.047 119.367 120.400 0.023 0.000 2.890 32 D HA 0.460 5.100 4.640 0.000 0.000 0.233 32 D C 0.519 176.832 176.300 0.022 0.000 1.306 32 D CA -0.097 53.916 54.000 0.020 0.000 0.929 32 D CB 1.286 42.094 40.800 0.013 0.000 1.512 32 D HN -0.014 nan 8.370 nan 0.000 0.568 33 A N 3.278 126.116 122.820 0.030 0.000 1.883 33 A HA -0.238 4.082 4.320 0.000 0.000 0.217 33 A C 1.894 179.501 177.584 0.039 0.000 1.186 33 A CA 2.131 54.191 52.037 0.038 0.000 0.624 33 A CB -0.647 18.379 19.000 0.044 0.000 0.822 33 A HN 0.652 nan 8.150 nan 0.000 0.444 34 Q N -0.692 119.132 119.800 0.040 0.000 2.079 34 Q HA -0.126 4.214 4.340 0.000 0.000 0.200 34 Q C 1.852 177.827 176.000 -0.042 0.000 0.974 34 Q CA 1.821 57.652 55.803 0.047 0.000 0.840 34 Q CB -0.492 28.289 28.738 0.071 0.000 0.898 34 Q HN 0.495 nan 8.270 nan 0.000 0.430 35 L N 0.327 121.524 121.223 -0.042 0.000 2.017 35 L HA -0.049 4.291 4.340 0.000 0.000 0.208 35 L C 2.209 179.024 176.870 -0.092 0.000 1.073 35 L CA 2.304 57.094 54.840 -0.083 0.000 0.745 35 L CB -1.138 40.897 42.059 -0.040 0.000 0.894 35 L HN 0.306 nan 8.230 nan 0.000 0.432 36 A N -0.495 122.305 122.820 -0.034 0.000 1.908 36 A HA -0.143 4.177 4.320 0.000 0.000 0.218 36 A C 2.456 180.035 177.584 -0.008 0.000 1.181 36 A CA 1.980 54.015 52.037 -0.004 0.000 0.627 36 A CB -1.236 17.785 19.000 0.035 0.000 0.818 36 A HN 0.594 nan 8.150 nan 0.000 0.445 37 A N -0.235 122.579 122.820 -0.009 0.000 1.902 37 A HA 0.162 4.482 4.320 0.000 0.000 0.217 37 A C 2.511 180.022 177.584 -0.122 0.000 1.181 37 A CA 2.136 54.196 52.037 0.038 0.000 0.623 37 A CB -1.007 18.081 19.000 0.147 0.000 0.818 37 A HN 1.055 nan 8.150 nan 0.000 0.443 38 A N -0.454 122.029 122.820 -0.562 0.000 1.877 38 A HA -0.112 4.208 4.320 0.000 0.000 0.216 38 A C 2.283 179.672 177.584 -0.325 0.000 1.186 38 A CA 1.814 53.209 52.037 -1.071 0.000 0.620 38 A CB -0.558 17.740 19.000 -1.170 0.000 0.822 38 A HN 0.532 nan 8.150 nan 0.000 0.443 39 M N -0.804 118.691 119.600 -0.176 0.000 2.086 39 M HA -0.133 4.347 4.480 0.000 0.000 0.261 39 M C 2.242 178.546 176.300 0.008 0.000 1.067 39 M CA 2.072 57.334 55.300 -0.064 0.000 1.116 39 M CB -0.880 31.682 32.600 -0.063 0.000 1.348 39 M HN 0.419 nan 8.290 nan 0.000 0.407 40 T N -0.344 114.235 114.554 0.042 0.000 2.788 40 T HA -0.190 4.160 4.350 0.000 0.000 0.268 40 T C 1.528 176.308 174.700 0.133 0.000 1.044 40 T CA 1.247 63.405 62.100 0.097 0.000 1.139 40 T CB -0.510 68.428 68.868 0.117 0.000 0.867 40 T HN 0.373 nan 8.240 nan 0.000 0.454 41 Y N 2.272 122.609 120.300 0.062 0.000 2.081 41 Y HA -0.230 4.320 4.550 0.000 0.000 0.280 41 Y C 2.625 178.585 175.900 0.100 0.000 1.163 41 Y CA 1.643 59.822 58.100 0.132 0.000 1.135 41 Y CB -0.575 38.058 38.460 0.289 0.000 0.970 41 Y HN 0.109 nan 8.280 nan 0.000 0.498 42 S N -0.906 114.818 115.700 0.039 0.000 2.387 42 S HA -0.125 4.345 4.470 0.000 0.000 0.226 42 S C 2.101 176.659 174.600 -0.070 0.000 1.026 42 S CA 1.094 59.258 58.200 -0.061 0.000 0.972 42 S CB -0.472 62.762 63.200 0.057 0.000 0.814 42 S HN 0.325 nan 8.310 nan 0.000 0.477 43 V N 1.924 121.828 119.914 -0.016 0.000 2.358 43 V HA -0.053 4.068 4.120 0.000 0.000 0.246 43 V C 1.810 177.912 176.094 0.013 0.000 1.047 43 V CA 1.421 63.727 62.300 0.010 0.000 1.035 43 V CB -0.507 31.345 31.823 0.047 0.000 0.658 43 V HN 0.451 nan 8.190 nan 0.000 0.452 44 L N -0.281 120.940 121.223 -0.003 0.000 2.592 44 L HA 0.201 4.541 4.340 0.000 0.000 0.227 44 L C 2.459 179.292 176.870 -0.062 0.000 1.127 44 L CA 0.575 55.416 54.840 0.002 0.000 0.884 44 L CB -0.593 41.491 42.059 0.042 0.000 1.065 44 L HN 0.310 nan 8.230 nan 0.000 0.457 45 A N 0.513 123.235 122.820 -0.162 0.000 1.940 45 A HA 0.222 4.542 4.320 0.000 0.000 0.219 45 A C 1.298 178.827 177.584 -0.090 0.000 1.176 45 A CA 1.643 53.551 52.037 -0.214 0.000 0.631 45 A CB -0.253 18.541 19.000 -0.342 0.000 0.814 45 A HN 0.469 nan 8.150 nan 0.000 0.446 46 G N -4.232 104.541 108.800 -0.046 0.000 2.335 46 G HA2 0.583 4.543 3.960 0.000 0.000 0.291 46 G HA3 0.583 4.543 3.960 0.000 0.000 0.291 46 G C -0.166 174.750 174.900 0.025 0.000 1.261 46 G CA 0.150 45.249 45.100 -0.002 0.000 0.871 46 G HN 1.983 nan 8.290 nan 0.000 0.491 47 G N -1.042 107.786 108.800 0.047 0.000 2.801 47 G HA2 0.286 4.246 3.960 0.000 0.000 0.648 47 G HA3 0.286 4.246 3.960 0.000 0.000 0.648 47 G C 0.131 175.075 174.900 0.072 0.000 1.415 47 G CA 0.340 45.487 45.100 0.078 0.000 0.887 47 G HN 0.783 nan 8.290 nan 0.000 0.627 48 K N 0.917 121.356 120.400 0.065 0.000 2.365 48 K HA 0.013 4.333 4.320 0.000 0.000 0.199 48 K C 1.387 178.018 176.600 0.052 0.000 1.045 48 K CA 0.566 56.876 56.287 0.038 0.000 0.962 48 K CB -0.066 32.414 32.500 -0.033 0.000 0.759 48 K HN 0.514 nan 8.250 nan 0.000 0.469 49 R N -0.106 120.428 120.500 0.056 0.000 3.641 49 R HA -0.218 4.122 4.340 0.000 0.000 0.286 49 R C 0.893 177.218 176.300 0.042 0.000 1.153 49 R CA 0.380 56.513 56.100 0.056 0.000 0.775 49 R CB -2.696 27.659 30.300 0.092 0.000 1.215 49 R HN 0.352 nan 8.270 nan 0.000 0.474 50 L N 0.156 121.374 121.223 -0.008 0.000 2.043 50 L HA -0.236 4.104 4.340 0.000 0.000 0.212 50 L C 2.548 179.399 176.870 -0.032 0.000 1.075 50 L CA 2.234 57.085 54.840 0.018 0.000 0.752 50 L CB -0.085 41.943 42.059 -0.052 0.000 0.891 50 L HN 0.339 nan 8.230 nan 0.000 0.432 51 R N -0.296 120.121 120.500 -0.138 0.000 2.061 51 R HA -0.128 4.212 4.340 0.000 0.000 0.230 51 R C -0.484 175.744 176.300 -0.120 0.000 1.140 51 R CA 1.801 57.803 56.100 -0.164 0.000 0.940 51 R CB -1.497 28.677 30.300 -0.209 0.000 0.839 51 R HN 0.409 nan 8.270 nan 0.000 0.429 52 P HA -0.130 nan 4.420 nan 0.000 0.219 52 P C 1.227 178.474 177.300 -0.088 0.000 1.150 52 P CA 1.240 64.292 63.100 -0.080 0.000 0.814 52 P CB -0.012 31.656 31.700 -0.054 0.000 0.787 53 L N -0.846 120.387 121.223 0.018 0.000 2.013 53 L HA -0.185 4.155 4.340 0.000 0.000 0.212 53 L C 2.842 179.718 176.870 0.010 0.000 1.073 53 L CA 1.433 56.379 54.840 0.176 0.000 0.753 53 L CB -1.067 41.264 42.059 0.453 0.000 0.890 53 L HN -0.083 nan 8.230 nan 0.000 0.432 54 L N -0.935 120.142 121.223 -0.243 0.000 2.083 54 L HA -0.211 4.130 4.340 0.000 0.000 0.209 54 L C 2.625 179.215 176.870 -0.466 0.000 1.083 54 L CA 1.526 55.985 54.840 -0.636 0.000 0.752 54 L CB -0.685 40.990 42.059 -0.639 0.000 0.899 54 L HN 0.308 nan 8.230 nan 0.000 0.433 55 T N -0.838 113.515 114.554 -0.335 0.000 2.708 55 T HA -0.171 4.179 4.350 0.000 0.000 0.266 55 T C 1.954 176.466 174.700 -0.313 0.000 1.037 55 T CA 1.477 63.385 62.100 -0.320 0.000 1.146 55 T CB -0.297 68.422 68.868 -0.249 0.000 0.865 55 T HN 0.072 nan 8.240 nan 0.000 0.435 56 V N 1.769 121.496 119.914 -0.312 0.000 2.295 56 V HA -0.152 3.968 4.120 0.000 0.000 0.246 56 V C 2.931 178.854 176.094 -0.286 0.000 1.049 56 V CA 1.653 63.705 62.300 -0.412 0.000 1.024 56 V CB -1.272 30.043 31.823 -0.846 0.000 0.648 56 V HN 0.539 nan 8.190 nan 0.000 0.447 57 A N -0.211 122.473 122.820 -0.227 0.000 1.902 57 A HA -0.231 4.089 4.320 0.000 0.000 0.217 57 A C 2.399 179.780 177.584 -0.339 0.000 1.181 57 A CA 2.543 54.366 52.037 -0.356 0.000 0.623 57 A CB -0.980 17.554 19.000 -0.776 0.000 0.818 57 A HN 0.511 nan 8.150 nan 0.000 0.443 58 T N 0.221 114.543 114.554 -0.387 0.000 2.674 58 T HA -0.184 4.166 4.350 0.000 0.000 0.265 58 T C 1.967 176.467 174.700 -0.335 0.000 1.039 58 T CA 1.865 63.742 62.100 -0.372 0.000 1.150 58 T CB -0.361 68.240 68.868 -0.445 0.000 0.864 58 T HN 0.465 nan 8.240 nan 0.000 0.427 59 M N 0.907 120.326 119.600 -0.302 0.000 2.082 59 M HA -0.182 4.298 4.480 0.000 0.000 0.258 59 M C 2.638 178.848 176.300 -0.149 0.000 1.069 59 M CA 1.518 56.675 55.300 -0.240 0.000 1.102 59 M CB -0.482 31.982 32.600 -0.227 0.000 1.336 59 M HN 0.099 nan 8.290 nan 0.000 0.404 60 Q N 0.073 119.809 119.800 -0.106 0.000 2.135 60 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 60 Q C 2.252 178.238 176.000 -0.023 0.000 0.981 60 Q CA 2.092 57.889 55.803 -0.011 0.000 0.856 60 Q CB -0.880 27.905 28.738 0.078 0.000 0.902 60 Q HN 0.684 nan 8.270 nan 0.000 0.425 61 S N -0.559 115.099 115.700 -0.070 0.000 2.515 61 S HA -0.002 4.468 4.470 0.000 0.000 0.231 61 S C 1.653 176.247 174.600 -0.010 0.000 0.987 61 S CA 0.376 58.554 58.200 -0.037 0.000 0.936 61 S CB -0.144 63.038 63.200 -0.029 0.000 0.766 61 S HN 0.321 nan 8.310 nan 0.000 0.528 62 L N 0.666 121.848 121.223 -0.069 0.000 2.640 62 L HA 0.396 4.736 4.340 0.000 0.000 0.230 62 L C 1.622 178.472 176.870 -0.033 0.000 1.123 62 L CA 0.244 55.043 54.840 -0.068 0.000 0.900 62 L CB -0.158 41.803 42.059 -0.163 0.000 1.146 62 L HN 0.530 nan 8.230 nan 0.000 0.484 63 G N 0.656 109.447 108.800 -0.015 0.000 2.147 63 G HA2 -0.236 3.725 3.960 0.000 0.000 0.244 63 G HA3 -0.236 3.725 3.960 0.000 0.000 0.244 63 G C 0.015 174.921 174.900 0.011 0.000 1.005 63 G CA 0.111 45.216 45.100 0.008 0.000 0.713 63 G HN 0.125 nan 8.290 nan 0.000 0.515 64 V N 1.116 121.025 119.914 -0.008 0.000 2.398 64 V HA 0.561 4.681 4.120 0.000 0.000 0.286 64 V C 0.764 176.876 176.094 0.031 0.000 1.026 64 V CA -0.201 62.096 62.300 -0.004 0.000 0.868 64 V CB 1.730 33.519 31.823 -0.057 0.000 0.982 64 V HN 0.300 nan 8.190 nan 0.000 0.443 65 T N 5.687 120.292 114.554 0.085 0.000 2.794 65 T HA 0.295 4.645 4.350 0.000 0.000 0.296 65 T C -0.255 174.581 174.700 0.227 0.000 0.949 65 T CA 0.022 62.220 62.100 0.164 0.000 1.101 65 T CB 0.132 69.093 68.868 0.155 0.000 0.905 65 T HN 0.434 nan 8.240 nan 0.000 0.516 66 F N 4.762 124.794 119.950 0.138 0.000 2.571 66 F HA 0.309 4.836 4.527 0.000 0.000 0.384 66 F C -0.216 175.794 175.800 0.349 0.000 1.058 66 F CA -0.194 57.948 58.000 0.237 0.000 1.200 66 F CB 0.333 39.459 39.000 0.210 0.000 1.077 66 F HN 0.219 nan 8.300 nan 0.000 0.558 67 V N 9.828 129.756 119.914 0.023 0.000 2.350 67 V HA 0.188 4.308 4.120 0.000 0.000 0.285 67 V C -1.686 174.151 176.094 -0.427 0.000 1.014 67 V CA -1.354 60.864 62.300 -0.136 0.000 0.831 67 V CB 1.392 33.113 31.823 -0.170 0.000 1.000 67 V HN 0.643 nan 8.190 nan 0.000 0.433 68 P HA -0.152 nan 4.420 nan 0.000 0.215 68 P C 1.263 178.482 177.300 -0.134 0.000 1.157 68 P CA 1.185 64.216 63.100 -0.113 0.000 0.874 68 P CB 0.428 32.163 31.700 0.057 0.000 0.790 69 E N -1.225 118.884 120.200 -0.152 0.000 2.338 69 E HA -0.114 4.236 4.350 0.000 0.000 0.197 69 E C 1.950 178.438 176.600 -0.187 0.000 1.007 69 E CA 0.924 57.239 56.400 -0.141 0.000 0.849 69 E CB -0.308 29.319 29.700 -0.121 0.000 0.774 69 E HN 0.259 nan 8.360 nan 0.000 0.506 70 R N -1.626 118.675 120.500 -0.331 0.000 2.167 70 R HA 0.190 4.530 4.340 0.000 0.000 0.201 70 R C 1.279 177.321 176.300 -0.429 0.000 1.024 70 R CA 0.669 56.501 56.100 -0.447 0.000 1.053 70 R CB 0.154 30.011 30.300 -0.737 0.000 0.987 70 R HN 0.311 nan 8.270 nan 0.000 0.493 71 H N -2.272 116.626 119.070 -0.288 0.000 2.855 71 H HA 0.018 4.574 4.556 0.000 0.000 0.259 71 H C 1.224 176.471 175.328 -0.134 0.000 0.972 71 H CA -0.128 55.732 56.048 -0.314 0.000 1.213 71 H CB 0.302 29.690 29.762 -0.624 0.000 1.451 71 H HN 0.174 nan 8.280 nan 0.000 0.484 72 W N 2.489 123.695 121.300 -0.157 0.000 2.354 72 W HA -0.131 4.529 4.660 0.000 0.000 0.315 72 W C 2.135 178.686 176.519 0.053 0.000 1.206 72 W CA 1.504 58.936 57.345 0.144 0.000 1.290 72 W CB 0.008 29.547 29.460 0.131 0.000 1.152 72 W HN -0.085 nan 8.180 nan 0.000 0.489 73 R N -0.365 120.146 120.500 0.017 0.000 2.083 73 R HA -0.171 4.169 4.340 0.000 0.000 0.237 73 R C -0.372 175.897 176.300 -0.053 0.000 1.137 73 R CA 2.356 58.272 56.100 -0.307 0.000 0.951 73 R CB -1.792 28.291 30.300 -0.361 0.000 0.851 73 R HN 0.173 nan 8.270 nan 0.000 0.434 74 P HA -0.091 nan 4.420 nan 0.000 0.218 74 P C 1.226 178.558 177.300 0.053 0.000 1.149 74 P CA 0.975 64.120 63.100 0.074 0.000 0.817 74 P CB 0.143 31.895 31.700 0.086 0.000 0.785 75 V N -0.975 118.952 119.914 0.022 0.000 2.379 75 V HA -0.176 3.944 4.120 0.000 0.000 0.245 75 V C 2.166 178.215 176.094 -0.075 0.000 1.044 75 V CA 1.557 63.860 62.300 0.005 0.000 1.036 75 V CB -0.947 30.944 31.823 0.114 0.000 0.664 75 V HN 0.101 nan 8.190 nan 0.000 0.453 76 M N -0.325 119.137 119.600 -0.230 0.000 2.562 76 M HA 0.081 4.561 4.480 0.000 0.000 0.257 76 M C 2.291 178.598 176.300 0.012 0.000 1.099 76 M CA 1.178 56.340 55.300 -0.229 0.000 1.099 76 M CB -1.488 30.689 32.600 -0.706 0.000 1.427 76 M HN 0.381 nan 8.290 nan 0.000 0.489 77 A N 0.591 123.471 122.820 0.100 0.000 1.948 77 A HA -0.198 4.122 4.320 0.000 0.000 0.220 77 A C 2.178 179.691 177.584 -0.120 0.000 1.177 77 A CA 1.529 53.558 52.037 -0.013 0.000 0.636 77 A CB -0.869 18.125 19.000 -0.010 0.000 0.815 77 A HN 0.438 nan 8.150 nan 0.000 0.449 78 L N -0.387 120.810 121.223 -0.045 0.000 2.141 78 L HA -0.095 4.245 4.340 0.000 0.000 0.209 78 L C 2.150 179.015 176.870 -0.008 0.000 1.094 78 L CA 2.661 57.487 54.840 -0.024 0.000 0.763 78 L CB -0.573 41.545 42.059 0.099 0.000 0.908 78 L HN 0.467 nan 8.230 nan 0.000 0.437 79 E N -0.518 119.678 120.200 -0.007 0.000 2.107 79 E HA -0.153 4.197 4.350 0.000 0.000 0.191 79 E C 2.139 178.747 176.600 0.012 0.000 0.982 79 E CA 1.294 57.716 56.400 0.037 0.000 0.809 79 E CB -0.315 29.406 29.700 0.035 0.000 0.756 79 E HN 0.547 nan 8.360 nan 0.000 0.459 80 L N 0.128 121.298 121.223 -0.088 0.000 2.012 80 L HA -0.200 4.140 4.340 0.000 0.000 0.210 80 L C 2.643 179.465 176.870 -0.080 0.000 1.073 80 L CA 1.427 56.167 54.840 -0.167 0.000 0.748 80 L CB -0.646 41.172 42.059 -0.402 0.000 0.891 80 L HN 0.265 nan 8.230 nan 0.000 0.431 81 L N -0.758 120.426 121.223 -0.064 0.000 2.017 81 L HA -0.277 4.063 4.340 0.000 0.000 0.208 81 L C 2.755 179.693 176.870 0.114 0.000 1.073 81 L CA 1.404 56.291 54.840 0.078 0.000 0.745 81 L CB -0.370 41.667 42.059 -0.037 0.000 0.894 81 L HN 0.306 nan 8.230 nan 0.000 0.432 82 H N -0.539 118.504 119.070 -0.045 0.000 2.319 82 H HA -0.205 4.351 4.556 0.000 0.000 0.297 82 H C 2.009 177.280 175.328 -0.094 0.000 1.097 82 H CA 2.476 58.477 56.048 -0.079 0.000 1.285 82 H CB -0.427 29.296 29.762 -0.065 0.000 1.368 82 H HN 0.290 nan 8.280 nan 0.000 0.495 83 T N 0.144 114.588 114.554 -0.184 0.000 2.746 83 T HA -0.198 4.152 4.350 0.000 0.000 0.267 83 T C 1.692 176.281 174.700 -0.185 0.000 1.039 83 T CA 1.427 63.396 62.100 -0.219 0.000 1.142 83 T CB -0.734 68.081 68.868 -0.087 0.000 0.866 83 T HN 0.639 nan 8.240 nan 0.000 0.444 84 Y N 3.042 123.222 120.300 -0.201 0.000 2.165 84 Y HA -0.195 4.355 4.550 0.000 0.000 0.286 84 Y C 2.535 178.279 175.900 -0.259 0.000 1.155 84 Y CA 1.441 59.393 58.100 -0.247 0.000 1.164 84 Y CB -1.002 37.291 38.460 -0.277 0.000 0.978 84 Y HN 0.260 nan 8.280 nan 0.000 0.513 85 S N 0.742 115.821 115.700 -1.035 0.000 2.399 85 S HA -0.174 4.296 4.470 0.000 0.000 0.231 85 S C 1.900 176.235 174.600 -0.441 0.000 1.022 85 S CA 1.457 59.080 58.200 -0.962 0.000 0.983 85 S CB -1.102 61.728 63.200 -0.617 0.000 0.803 85 S HN 0.591 nan 8.310 nan 0.000 0.480 86 L N 0.682 121.692 121.223 -0.355 0.000 2.056 86 L HA 0.021 4.361 4.340 0.000 0.000 0.207 86 L C 2.667 179.497 176.870 -0.067 0.000 1.078 86 L CA 1.196 55.920 54.840 -0.194 0.000 0.749 86 L CB -0.733 41.193 42.059 -0.221 0.000 0.901 86 L HN 0.293 nan 8.230 nan 0.000 0.433 87 I N -0.542 120.000 120.570 -0.047 0.000 2.163 87 I HA -0.355 3.815 4.170 0.000 0.000 0.243 87 I C 2.526 178.769 176.117 0.209 0.000 1.085 87 I CA 1.671 63.035 61.300 0.107 0.000 1.347 87 I CB -0.555 37.525 38.000 0.133 0.000 1.044 87 I HN 0.326 nan 8.210 nan 0.000 0.408 88 H N -0.514 118.542 119.070 -0.023 0.000 2.428 88 H HA -0.178 4.378 4.556 0.000 0.000 0.296 88 H C 1.830 177.139 175.328 -0.033 0.000 1.062 88 H CA 1.183 57.226 56.048 -0.008 0.000 1.350 88 H CB 0.058 29.825 29.762 0.009 0.000 1.403 88 H HN 0.355 nan 8.280 nan 0.000 0.533 89 D N 0.511 120.950 120.400 0.064 0.000 2.149 89 D HA -0.147 4.493 4.640 0.000 0.000 0.198 89 D C 1.447 177.768 176.300 0.035 0.000 0.990 89 D CA 1.211 55.225 54.000 0.023 0.000 0.839 89 D CB -0.003 40.791 40.800 -0.011 0.000 0.948 89 D HN 0.226 nan 8.370 nan 0.000 0.460 90 D N -0.406 120.038 120.400 0.073 0.000 2.347 90 D HA 0.021 4.661 4.640 0.000 0.000 0.215 90 D C 0.569 176.900 176.300 0.052 0.000 0.976 90 D CA 0.041 54.115 54.000 0.124 0.000 0.884 90 D CB -0.013 40.918 40.800 0.219 0.000 0.915 90 D HN 0.326 nan 8.370 nan 0.000 0.526 91 L N 1.244 122.426 121.223 -0.068 0.000 2.499 91 L HA -0.030 4.310 4.340 0.000 0.000 0.281 91 L C -0.982 175.690 176.870 -0.331 0.000 1.234 91 L CA -1.043 53.597 54.840 -0.333 0.000 0.839 91 L CB 0.149 42.095 42.059 -0.187 0.000 1.104 91 L HN -0.173 nan 8.230 nan 0.000 0.500 92 P HA -0.232 nan 4.420 nan 0.000 0.216 92 P C 1.067 178.298 177.300 -0.115 0.000 1.154 92 P CA 1.736 64.710 63.100 -0.209 0.000 0.865 92 P CB 0.133 31.732 31.700 -0.169 0.000 0.789 93 A N -2.645 120.107 122.820 -0.114 0.000 2.172 93 A HA -0.070 4.250 4.320 0.000 0.000 0.216 93 A C 1.767 179.318 177.584 -0.055 0.000 1.154 93 A CA 1.262 53.256 52.037 -0.072 0.000 0.701 93 A CB -0.751 18.204 19.000 -0.074 0.000 0.789 93 A HN 0.082 nan 8.150 nan 0.000 0.465 94 M N -1.863 117.700 119.600 -0.062 0.000 2.756 94 M HA 0.198 4.678 4.480 0.000 0.000 0.157 94 M C 0.364 176.649 176.300 -0.025 0.000 1.614 94 M CA 0.282 55.560 55.300 -0.036 0.000 1.662 94 M CB -1.030 31.553 32.600 -0.027 0.000 0.832 94 M HN 0.058 nan 8.290 nan 0.000 0.677 95 D N 0.520 120.912 120.400 -0.014 0.000 2.348 95 D HA 0.039 4.679 4.640 0.000 0.000 0.211 95 D C -0.030 176.279 176.300 0.014 0.000 0.998 95 D CA 0.379 54.382 54.000 0.004 0.000 0.873 95 D CB -0.334 40.477 40.800 0.018 0.000 0.925 95 D HN 0.417 nan 8.370 nan 0.000 0.524 96 N N 1.832 120.528 118.700 -0.006 0.000 2.688 96 N HA -0.172 4.568 4.740 0.000 0.000 0.258 96 N C -1.375 174.194 175.510 0.100 0.000 1.016 96 N CA 0.424 53.480 53.050 0.010 0.000 0.747 96 N CB -0.709 37.779 38.487 0.002 0.000 0.895 96 N HN 0.064 nan 8.380 nan 0.000 0.543 97 D N -0.824 119.679 120.400 0.172 0.000 2.217 97 D HA 0.566 5.206 4.640 0.000 0.000 0.248 97 D C 0.956 177.356 176.300 0.167 0.000 1.008 97 D CA 0.201 54.291 54.000 0.150 0.000 0.914 97 D CB 1.448 42.313 40.800 0.108 0.000 1.182 97 D HN 0.324 nan 8.370 nan 0.000 0.451 98 A N 2.059 124.928 122.820 0.082 0.000 2.044 98 A HA 0.221 4.541 4.320 0.000 0.000 0.213 98 A C 0.613 178.203 177.584 0.010 0.000 1.169 98 A CA 0.531 52.587 52.037 0.031 0.000 0.724 98 A CB 0.230 19.248 19.000 0.029 0.000 0.840 98 A HN 0.481 nan 8.150 nan 0.000 0.463 99 L N -0.842 120.398 121.223 0.029 0.000 2.388 99 L HA 0.731 5.071 4.340 0.000 0.000 0.264 99 L C -0.524 176.366 176.870 0.033 0.000 0.998 99 L CA -1.008 53.848 54.840 0.027 0.000 0.817 99 L CB 2.321 44.393 42.059 0.022 0.000 1.338 99 L HN 0.234 nan 8.230 nan 0.000 0.414 100 R N 1.532 122.049 120.500 0.028 0.000 2.536 100 R HA 0.422 4.763 4.340 0.000 0.000 0.269 100 R C -0.875 175.423 176.300 -0.004 0.000 1.113 100 R CA -0.784 55.327 56.100 0.019 0.000 0.948 100 R CB 0.975 31.293 30.300 0.029 0.000 1.237 100 R HN 0.524 nan 8.270 nan 0.000 0.441 101 R N 3.221 123.719 120.500 -0.003 0.000 3.516 101 R HA -0.223 4.118 4.340 0.000 0.000 0.271 101 R C 0.654 176.943 176.300 -0.018 0.000 1.098 101 R CA 1.218 57.312 56.100 -0.011 0.000 0.732 101 R CB -1.787 28.494 30.300 -0.032 0.000 1.152 101 R HN 1.292 nan 8.270 nan 0.000 0.455 102 G N -1.372 107.426 108.800 -0.003 0.000 2.179 102 G HA2 -0.313 3.647 3.960 0.000 0.000 0.260 102 G HA3 -0.313 3.647 3.960 0.000 0.000 0.260 102 G C -0.070 174.835 174.900 0.007 0.000 0.977 102 G CA 0.724 45.825 45.100 0.003 0.000 0.641 102 G HN 0.388 nan 8.290 nan 0.000 0.533 103 E N 0.171 120.373 120.200 0.004 0.000 2.336 103 E HA 0.491 4.841 4.350 0.000 0.000 0.267 103 E C -2.718 173.930 176.600 0.079 0.000 0.906 103 E CA -2.161 54.263 56.400 0.039 0.000 0.781 103 E CB 1.489 31.183 29.700 -0.010 0.000 1.261 103 E HN -0.014 nan 8.360 nan 0.000 0.436 104 P HA -0.071 nan 4.420 nan 0.000 0.264 104 P C -0.052 177.330 177.300 0.137 0.000 1.179 104 P CA 0.511 63.661 63.100 0.084 0.000 0.763 104 P CB 0.099 31.830 31.700 0.052 0.000 0.806 105 T N -0.361 114.198 114.554 0.009 0.000 2.856 105 T HA -0.001 4.349 4.350 0.000 0.000 0.306 105 T C 1.385 176.098 174.700 0.021 0.000 1.062 105 T CA -0.471 61.629 62.100 0.000 0.000 1.083 105 T CB 0.338 69.129 68.868 -0.128 0.000 0.984 105 T HN 0.360 nan 8.240 nan 0.000 0.542 106 N N 1.374 120.189 118.700 0.192 0.000 2.061 106 N HA -0.247 4.493 4.740 0.000 0.000 0.193 106 N C 1.813 177.458 175.510 0.226 0.000 1.030 106 N CA 2.302 55.547 53.050 0.325 0.000 0.856 106 N CB -0.497 38.187 38.487 0.328 0.000 1.023 106 N HN 0.972 nan 8.380 nan 0.000 0.424 107 H N -1.063 118.116 119.070 0.181 0.000 2.457 107 H HA 0.056 4.612 4.556 -0.000 0.000 0.294 107 H C 2.142 177.514 175.328 0.073 0.000 1.064 107 H CA 1.086 57.209 56.048 0.125 0.000 1.330 107 H CB -0.475 29.338 29.762 0.085 0.000 1.395 107 H HN -0.051 nan 8.280 nan 0.000 0.541 108 V N 0.769 120.447 119.914 -0.394 0.000 2.343 108 V HA -0.236 3.884 4.120 0.000 0.000 0.247 108 V C 2.592 178.581 176.094 -0.175 0.000 1.051 108 V CA 2.270 64.442 62.300 -0.214 0.000 1.036 108 V CB -0.504 31.179 31.823 -0.234 0.000 0.654 108 V HN 0.460 nan 8.190 nan 0.000 0.451 109 K N -0.938 119.315 120.400 -0.246 0.000 2.098 109 K HA -0.021 4.299 4.320 0.000 0.000 0.203 109 K C 1.698 177.934 176.600 -0.606 0.000 1.051 109 K CA 1.460 57.431 56.287 -0.526 0.000 0.957 109 K CB -0.006 31.940 32.500 -0.924 0.000 0.738 109 K HN 0.439 nan 8.250 nan 0.000 0.447 110 F N -0.132 119.750 119.950 -0.113 0.000 2.724 110 F HA 0.341 4.869 4.527 0.000 0.000 0.306 110 F C 0.604 176.399 175.800 -0.008 0.000 1.100 110 F CA 0.225 58.188 58.000 -0.061 0.000 1.255 110 F CB 1.400 40.370 39.000 -0.049 0.000 1.072 110 F HN 0.166 nan 8.300 nan 0.000 0.589 111 G N 0.548 109.441 108.800 0.155 0.000 2.690 111 G HA2 0.090 4.050 3.960 0.000 0.000 0.686 111 G HA3 0.090 4.050 3.960 0.000 0.000 0.686 111 G C 0.581 175.586 174.900 0.176 0.000 1.277 111 G CA -0.579 44.603 45.100 0.137 0.000 0.799 111 G HN 0.381 nan 8.290 nan 0.000 0.613 112 A N 0.341 123.244 122.820 0.139 0.000 1.930 112 A HA 0.323 4.644 4.320 0.000 0.000 0.217 112 A C 2.820 180.445 177.584 0.068 0.000 1.175 112 A CA 2.584 54.684 52.037 0.104 0.000 0.627 112 A CB -0.857 18.157 19.000 0.023 0.000 0.815 112 A HN 2.383 nan 8.150 nan 0.000 0.443 113 G N -0.504 108.331 108.800 0.058 0.000 2.459 113 G HA2 -0.253 3.707 3.960 0.000 0.000 0.217 113 G HA3 -0.253 3.707 3.960 0.000 0.000 0.217 113 G C 1.522 176.455 174.900 0.056 0.000 1.183 113 G CA 1.585 46.711 45.100 0.043 0.000 0.776 113 G HN 0.426 nan 8.290 nan 0.000 0.552 114 M N 1.467 121.114 119.600 0.079 0.000 2.175 114 M HA 0.232 4.712 4.480 0.000 0.000 0.264 114 M C 2.632 178.969 176.300 0.061 0.000 1.063 114 M CA 1.358 56.698 55.300 0.067 0.000 1.119 114 M CB -0.446 32.213 32.600 0.098 0.000 1.377 114 M HN 0.242 nan 8.290 nan 0.000 0.415 115 A N -1.227 121.668 122.820 0.124 0.000 1.902 115 A HA -0.152 4.168 4.320 0.000 0.000 0.217 115 A C 2.181 179.869 177.584 0.174 0.000 1.181 115 A CA 2.282 54.414 52.037 0.158 0.000 0.623 115 A CB -1.368 17.779 19.000 0.246 0.000 0.818 115 A HN 0.543 nan 8.150 nan 0.000 0.443 116 T N 0.627 115.252 114.554 0.119 0.000 2.708 116 T HA -0.110 4.240 4.350 0.000 0.000 0.266 116 T C 1.811 176.641 174.700 0.216 0.000 1.037 116 T CA 1.503 63.666 62.100 0.105 0.000 1.146 116 T CB -0.411 68.433 68.868 -0.042 0.000 0.865 116 T HN 0.364 nan 8.240 nan 0.000 0.435 117 L N 0.693 121.978 121.223 0.103 0.000 2.083 117 L HA -0.096 4.244 4.340 0.000 0.000 0.209 117 L C 3.063 179.960 176.870 0.045 0.000 1.083 117 L CA 1.130 56.008 54.840 0.064 0.000 0.752 117 L CB -0.725 41.349 42.059 0.024 0.000 0.899 117 L HN 0.265 nan 8.230 nan 0.000 0.433 118 A N 0.402 123.243 122.820 0.035 0.000 1.902 118 A HA -0.138 4.182 4.320 0.000 0.000 0.217 118 A C 2.406 179.999 177.584 0.014 0.000 1.181 118 A CA 1.782 53.810 52.037 -0.013 0.000 0.623 118 A CB -1.206 17.760 19.000 -0.056 0.000 0.818 118 A HN 0.441 nan 8.150 nan 0.000 0.443 119 G N -0.072 108.792 108.800 0.107 0.000 2.421 119 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 119 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 119 G C 1.117 175.939 174.900 -0.130 0.000 1.171 119 G CA 1.231 46.332 45.100 0.003 0.000 0.775 119 G HN 0.465 nan 8.290 nan 0.000 0.543 120 D N 0.714 121.111 120.400 -0.006 0.000 2.144 120 D HA -0.063 4.577 4.640 0.000 0.000 0.199 120 D C 2.620 178.835 176.300 -0.142 0.000 0.984 120 D CA 1.250 55.191 54.000 -0.098 0.000 0.834 120 D CB -0.812 39.994 40.800 0.009 0.000 0.955 120 D HN 0.323 nan 8.370 nan 0.000 0.465 121 G N 0.708 109.453 108.800 -0.092 0.000 2.421 121 G HA2 -0.199 3.761 3.960 0.000 0.000 0.216 121 G HA3 -0.199 3.761 3.960 0.000 0.000 0.216 121 G C 1.784 176.589 174.900 -0.158 0.000 1.171 121 G CA 0.321 45.360 45.100 -0.101 0.000 0.775 121 G HN 0.249 nan 8.290 nan 0.000 0.543 122 L N -0.374 120.746 121.223 -0.171 0.000 2.056 122 L HA 0.008 4.348 4.340 0.000 0.000 0.207 122 L C 2.674 179.382 176.870 -0.270 0.000 1.078 122 L CA 0.473 55.184 54.840 -0.214 0.000 0.749 122 L CB -0.399 41.586 42.059 -0.123 0.000 0.901 122 L HN 0.238 nan 8.230 nan 0.000 0.433 123 L N -0.473 120.528 121.223 -0.371 0.000 2.012 123 L HA -0.203 4.138 4.340 0.000 0.000 0.210 123 L C 2.408 179.181 176.870 -0.163 0.000 1.073 123 L CA 2.226 56.793 54.840 -0.455 0.000 0.748 123 L CB -0.919 40.544 42.059 -0.993 0.000 0.891 123 L HN 0.177 nan 8.230 nan 0.000 0.431 124 T N -0.223 114.247 114.554 -0.140 0.000 2.777 124 T HA -0.157 4.193 4.350 0.000 0.000 0.266 124 T C 1.827 176.510 174.700 -0.029 0.000 1.040 124 T CA 1.452 63.541 62.100 -0.018 0.000 1.141 124 T CB -0.457 68.378 68.868 -0.055 0.000 0.868 124 T HN 0.269 nan 8.240 nan 0.000 0.444 125 L N 1.548 122.669 121.223 -0.171 0.000 2.127 125 L HA 0.059 4.399 4.340 0.000 0.000 0.211 125 L C 2.590 179.194 176.870 -0.443 0.000 1.089 125 L CA 1.476 56.132 54.840 -0.307 0.000 0.757 125 L CB -1.048 40.729 42.059 -0.470 0.000 0.899 125 L HN 0.247 nan 8.230 nan 0.000 0.434 126 A N -0.993 121.575 122.820 -0.419 0.000 1.908 126 A HA -0.236 4.084 4.320 0.000 0.000 0.218 126 A C 2.073 179.455 177.584 -0.337 0.000 1.181 126 A CA 2.102 53.873 52.037 -0.442 0.000 0.627 126 A CB -1.029 17.660 19.000 -0.518 0.000 0.818 126 A HN 0.449 nan 8.150 nan 0.000 0.445 127 F N -0.403 119.494 119.950 -0.087 0.000 2.259 127 F HA -0.077 4.450 4.527 0.000 0.000 0.298 127 F C 2.557 178.381 175.800 0.040 0.000 1.088 127 F CA 1.429 59.417 58.000 -0.022 0.000 1.358 127 F CB -0.413 38.559 39.000 -0.047 0.000 1.040 127 F HN 0.343 nan 8.300 nan 0.000 0.505 128 Q N -0.441 119.475 119.800 0.192 0.000 2.050 128 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 128 Q C 2.018 178.215 176.000 0.330 0.000 0.980 128 Q CA 2.048 57.983 55.803 0.220 0.000 0.840 128 Q CB -0.321 28.538 28.738 0.202 0.000 0.898 128 Q HN 0.413 nan 8.270 nan 0.000 0.424 129 W N 0.800 122.109 121.300 0.015 0.000 2.363 129 W HA -0.099 4.561 4.660 0.000 0.000 0.296 129 W C 1.957 178.475 176.519 -0.002 0.000 1.212 129 W CA 0.578 57.924 57.345 0.002 0.000 1.260 129 W CB -0.725 28.707 29.460 -0.046 0.000 1.131 129 W HN 0.223 nan 8.180 nan 0.000 0.530 130 L N -0.105 121.244 121.223 0.210 0.000 2.187 130 L HA -0.170 4.170 4.340 0.000 0.000 0.213 130 L C 1.879 178.828 176.870 0.131 0.000 1.100 130 L CA 1.968 56.889 54.840 0.134 0.000 0.765 130 L CB -1.037 41.078 42.059 0.094 0.000 0.904 130 L HN 0.059 nan 8.230 nan 0.000 0.437 131 T N -5.092 109.548 114.554 0.145 0.000 3.182 131 T HA 0.397 4.747 4.350 0.000 0.000 0.277 131 T C 1.035 175.791 174.700 0.093 0.000 1.013 131 T CA 0.287 62.455 62.100 0.113 0.000 0.900 131 T CB 0.752 69.690 68.868 0.117 0.000 1.098 131 T HN 0.164 nan 8.240 nan 0.000 0.543 132 A N 1.532 124.408 122.820 0.093 0.000 2.267 132 A HA 0.450 4.770 4.320 0.000 0.000 0.213 132 A C 1.394 178.987 177.584 0.015 0.000 1.192 132 A CA 0.482 52.557 52.037 0.064 0.000 0.851 132 A CB -0.207 18.835 19.000 0.070 0.000 0.881 132 A HN 0.658 nan 8.150 nan 0.000 0.494 133 T N -3.888 110.670 114.554 0.005 0.000 2.883 133 T HA 0.474 4.824 4.350 0.000 0.000 0.284 133 T C -0.736 173.947 174.700 -0.028 0.000 1.041 133 T CA -0.373 61.708 62.100 -0.031 0.000 1.007 133 T CB 1.471 70.300 68.868 -0.064 0.000 1.220 133 T HN -0.111 nan 8.240 nan 0.000 0.552 134 D N 0.707 121.076 120.400 -0.052 0.000 3.057 134 D HA 0.315 4.956 4.640 0.000 0.000 0.246 134 D C -0.229 176.045 176.300 -0.043 0.000 1.238 134 D CA -0.341 53.635 54.000 -0.040 0.000 0.949 134 D CB -1.068 39.706 40.800 -0.045 0.000 1.086 134 D HN 0.426 nan 8.370 nan 0.000 0.487 135 L N 1.104 122.313 121.223 -0.024 0.000 2.399 135 L HA 0.448 4.788 4.340 0.000 0.000 0.266 135 L C -1.725 175.153 176.870 0.013 0.000 1.114 135 L CA -2.083 52.755 54.840 -0.003 0.000 0.804 135 L CB 0.613 42.686 42.059 0.024 0.000 1.146 135 L HN 0.047 nan 8.230 nan 0.000 0.451 136 P HA -0.028 nan 4.420 nan 0.000 0.264 136 P C 0.103 177.423 177.300 0.032 0.000 1.183 136 P CA 0.045 63.159 63.100 0.024 0.000 0.763 136 P CB 0.773 32.489 31.700 0.027 0.000 0.807 137 A N 3.365 126.203 122.820 0.029 0.000 1.940 137 A HA -0.211 4.109 4.320 0.000 0.000 0.219 137 A C 2.028 179.637 177.584 0.042 0.000 1.176 137 A CA 2.462 54.521 52.037 0.036 0.000 0.631 137 A CB -1.890 17.128 19.000 0.029 0.000 0.814 137 A HN 0.637 nan 8.150 nan 0.000 0.446 138 T N -2.264 112.313 114.554 0.038 0.000 2.720 138 T HA -0.245 4.105 4.350 0.000 0.000 0.268 138 T C 1.904 176.638 174.700 0.057 0.000 1.037 138 T CA 1.797 63.922 62.100 0.042 0.000 1.144 138 T CB -0.453 68.434 68.868 0.032 0.000 0.864 138 T HN 0.440 nan 8.240 nan 0.000 0.444 139 M N 0.856 120.492 119.600 0.059 0.000 2.132 139 M HA -0.122 4.358 4.480 0.000 0.000 0.263 139 M C 2.598 178.949 176.300 0.085 0.000 1.065 139 M CA 1.605 56.949 55.300 0.073 0.000 1.122 139 M CB -0.287 32.352 32.600 0.065 0.000 1.365 139 M HN 0.283 nan 8.290 nan 0.000 0.411 140 Q N -0.004 119.843 119.800 0.078 0.000 2.050 140 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 140 Q C 2.148 178.212 176.000 0.107 0.000 0.980 140 Q CA 1.895 57.753 55.803 0.091 0.000 0.840 140 Q CB -0.383 28.402 28.738 0.078 0.000 0.898 140 Q HN 0.709 nan 8.270 nan 0.000 0.424 141 A N 1.033 123.907 122.820 0.090 0.000 1.933 141 A HA -0.109 4.211 4.320 0.000 0.000 0.218 141 A C 2.299 179.949 177.584 0.111 0.000 1.175 141 A CA 1.539 53.631 52.037 0.091 0.000 0.628 141 A CB -0.793 18.246 19.000 0.065 0.000 0.814 141 A HN 0.402 nan 8.150 nan 0.000 0.444 142 A N -0.210 122.677 122.820 0.112 0.000 1.902 142 A HA -0.048 4.272 4.320 0.000 0.000 0.217 142 A C 2.174 179.868 177.584 0.184 0.000 1.181 142 A CA 1.489 53.608 52.037 0.137 0.000 0.623 142 A CB -0.596 18.485 19.000 0.134 0.000 0.818 142 A HN 0.474 nan 8.150 nan 0.000 0.443 143 L N -0.633 120.699 121.223 0.182 0.000 2.017 143 L HA -0.184 4.156 4.340 0.000 0.000 0.208 143 L C 2.582 179.608 176.870 0.259 0.000 1.073 143 L CA 1.314 56.301 54.840 0.245 0.000 0.745 143 L CB -0.641 41.536 42.059 0.196 0.000 0.894 143 L HN 0.257 nan 8.230 nan 0.000 0.432 144 V N -0.467 119.581 119.914 0.222 0.000 2.255 144 V HA -0.338 3.782 4.120 0.000 0.000 0.247 144 V C 2.467 178.714 176.094 0.255 0.000 1.051 144 V CA 2.064 64.539 62.300 0.292 0.000 1.018 144 V CB -0.557 31.422 31.823 0.260 0.000 0.641 144 V HN 0.460 nan 8.190 nan 0.000 0.445 145 Q N 0.544 120.451 119.800 0.178 0.000 2.096 145 Q HA -0.184 4.156 4.340 0.000 0.000 0.204 145 Q C 2.088 178.188 176.000 0.167 0.000 0.982 145 Q CA 2.431 58.318 55.803 0.141 0.000 0.850 145 Q CB -0.648 28.158 28.738 0.113 0.000 0.901 145 Q HN 0.608 nan 8.270 nan 0.000 0.422 146 A N -0.207 122.750 122.820 0.227 0.000 1.898 146 A HA -0.103 4.217 4.320 0.000 0.000 0.216 146 A C 1.994 179.694 177.584 0.193 0.000 1.181 146 A CA 1.409 53.625 52.037 0.299 0.000 0.620 146 A CB -0.783 18.481 19.000 0.440 0.000 0.819 146 A HN 0.459 nan 8.150 nan 0.000 0.442 147 L N -0.307 120.906 121.223 -0.017 0.000 2.056 147 L HA 0.027 4.367 4.340 0.000 0.000 0.207 147 L C 2.668 179.502 176.870 -0.060 0.000 1.078 147 L CA 2.069 56.606 54.840 -0.504 0.000 0.749 147 L CB -0.834 40.804 42.059 -0.703 0.000 0.901 147 L HN 0.332 nan 8.230 nan 0.000 0.433 148 A N -1.609 121.342 122.820 0.219 0.000 1.902 148 A HA -0.188 4.132 4.320 0.000 0.000 0.217 148 A C 2.241 179.883 177.584 0.097 0.000 1.181 148 A CA 2.220 54.395 52.037 0.229 0.000 0.623 148 A CB -1.173 17.881 19.000 0.091 0.000 0.818 148 A HN 0.497 nan 8.150 nan 0.000 0.443 149 T N 0.372 114.976 114.554 0.083 0.000 2.746 149 T HA -0.038 4.312 4.350 0.000 0.000 0.267 149 T C 2.199 176.932 174.700 0.055 0.000 1.039 149 T CA 1.624 63.763 62.100 0.065 0.000 1.142 149 T CB -0.433 68.482 68.868 0.079 0.000 0.866 149 T HN 0.593 nan 8.240 nan 0.000 0.444 150 A N 1.099 123.951 122.820 0.053 0.000 1.930 150 A HA 0.281 4.601 4.320 0.000 0.000 0.217 150 A C 2.453 180.056 177.584 0.033 0.000 1.175 150 A CA 1.634 53.698 52.037 0.045 0.000 0.627 150 A CB -0.720 18.317 19.000 0.062 0.000 0.815 150 A HN 0.511 nan 8.150 nan 0.000 0.443 151 A N -0.980 121.859 122.820 0.031 0.000 2.147 151 A HA 0.494 4.814 4.320 0.000 0.000 0.211 151 A C 1.546 179.190 177.584 0.100 0.000 1.160 151 A CA 0.970 53.047 52.037 0.068 0.000 0.781 151 A CB -0.574 18.477 19.000 0.084 0.000 0.842 151 A HN 0.638 nan 8.150 nan 0.000 0.475 152 G N -0.261 108.586 108.800 0.080 0.000 2.630 152 G HA2 0.400 4.360 3.960 0.000 0.000 0.223 152 G HA3 0.400 4.360 3.960 0.000 0.000 0.223 152 G C -1.659 173.274 174.900 0.055 0.000 1.434 152 G CA -0.178 44.964 45.100 0.069 0.000 1.057 152 G HN 0.073 nan 8.290 nan 0.000 0.570 153 P HA 0.137 nan 4.420 nan 0.000 0.249 153 P C 0.678 177.994 177.300 0.027 0.000 1.241 153 P CA 0.585 63.705 63.100 0.033 0.000 0.781 153 P CB 0.742 32.456 31.700 0.024 0.000 1.088 154 S N -1.498 114.219 115.700 0.027 0.000 2.559 154 S HA 0.347 4.817 4.470 0.000 0.000 0.226 154 S C 1.230 175.845 174.600 0.026 0.000 1.000 154 S CA 0.114 58.328 58.200 0.023 0.000 0.948 154 S CB 0.643 63.854 63.200 0.019 0.000 0.870 154 S HN 0.289 nan 8.310 nan 0.000 0.497 155 G N 0.997 109.818 108.800 0.035 0.000 3.387 155 G HA2 0.276 4.236 3.960 0.000 0.000 0.194 155 G HA3 0.276 4.236 3.960 0.000 0.000 0.194 155 G C 0.892 175.821 174.900 0.048 0.000 1.417 155 G CA -0.093 45.029 45.100 0.038 0.000 0.777 155 G HN 0.133 nan 8.290 nan 0.000 0.721 156 M N 0.538 120.170 119.600 0.054 0.000 2.082 156 M HA -0.096 4.384 4.480 0.000 0.000 0.258 156 M C 2.494 178.828 176.300 0.056 0.000 1.069 156 M CA 1.684 57.017 55.300 0.055 0.000 1.102 156 M CB -0.622 32.008 32.600 0.051 0.000 1.336 156 M HN 0.112 nan 8.290 nan 0.000 0.404 157 V N 0.846 120.802 119.914 0.071 0.000 2.427 157 V HA -0.220 3.900 4.120 0.000 0.000 0.248 157 V C 2.767 178.893 176.094 0.054 0.000 1.051 157 V CA 1.653 63.997 62.300 0.074 0.000 1.048 157 V CB -1.610 30.273 31.823 0.099 0.000 0.666 157 V HN 0.615 nan 8.190 nan 0.000 0.456 158 A N 0.764 123.612 122.820 0.046 0.000 1.908 158 A HA -0.155 4.165 4.320 0.000 0.000 0.218 158 A C 2.424 180.028 177.584 0.034 0.000 1.181 158 A CA 2.134 54.192 52.037 0.035 0.000 0.627 158 A CB -1.238 17.780 19.000 0.030 0.000 0.818 158 A HN 0.534 nan 8.150 nan 0.000 0.445 159 G N -1.514 107.312 108.800 0.043 0.000 2.408 159 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 159 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 159 G C 1.578 176.504 174.900 0.044 0.000 1.150 159 G CA 0.900 46.030 45.100 0.049 0.000 0.776 159 G HN 0.464 nan 8.290 nan 0.000 0.542 160 Q N 0.445 120.269 119.800 0.041 0.000 2.119 160 Q HA 0.003 4.344 4.340 0.000 0.000 0.201 160 Q C 2.989 179.003 176.000 0.024 0.000 0.972 160 Q CA 1.354 57.176 55.803 0.032 0.000 0.847 160 Q CB -0.566 28.191 28.738 0.031 0.000 0.903 160 Q HN 0.451 nan 8.270 nan 0.000 0.433 161 A N 1.364 124.199 122.820 0.026 0.000 1.902 161 A HA -0.182 4.138 4.320 0.000 0.000 0.217 161 A C 2.069 179.659 177.584 0.010 0.000 1.181 161 A CA 1.460 53.508 52.037 0.019 0.000 0.623 161 A CB -0.288 18.724 19.000 0.021 0.000 0.818 161 A HN 0.245 nan 8.150 nan 0.000 0.443 162 K N -0.655 119.751 120.400 0.010 0.000 2.097 162 K HA -0.142 4.178 4.320 0.000 0.000 0.205 162 K C 1.642 178.237 176.600 -0.008 0.000 1.050 162 K CA 1.201 57.488 56.287 0.000 0.000 0.938 162 K CB -0.179 32.321 32.500 -0.001 0.000 0.718 162 K HN 0.404 nan 8.250 nan 0.000 0.442 163 D N 1.359 121.759 120.400 0.001 0.000 2.097 163 D HA -0.114 4.526 4.640 0.000 0.000 0.195 163 D C 1.805 178.089 176.300 -0.027 0.000 0.989 163 D CA 0.930 54.926 54.000 -0.007 0.000 0.827 163 D CB -0.056 40.752 40.800 0.012 0.000 0.966 163 D HN 0.086 nan 8.370 nan 0.000 0.456 164 I N 0.427 120.986 120.570 -0.018 0.000 2.118 164 I HA -0.319 3.851 4.170 0.000 0.000 0.241 164 I C 2.414 178.512 176.117 -0.031 0.000 1.070 164 I CA 1.281 62.565 61.300 -0.026 0.000 1.327 164 I CB -0.433 37.562 38.000 -0.008 0.000 1.034 164 I HN 0.106 nan 8.210 nan 0.000 0.405 165 Q N 0.237 120.027 119.800 -0.017 0.000 2.291 165 Q HA -0.120 4.220 4.340 0.000 0.000 0.205 165 Q C 1.824 177.813 176.000 -0.017 0.000 0.970 165 Q CA 1.657 57.454 55.803 -0.009 0.000 0.876 165 Q CB -0.030 28.706 28.738 -0.002 0.000 0.935 165 Q HN 0.585 nan 8.270 nan 0.000 0.455 166 S N -1.199 114.479 115.700 -0.037 0.000 2.575 166 S HA 0.096 4.566 4.470 0.000 0.000 0.237 166 S C 1.176 175.723 174.600 -0.088 0.000 0.975 166 S CA -0.279 57.893 58.200 -0.045 0.000 0.960 166 S CB 0.466 63.640 63.200 -0.044 0.000 0.822 166 S HN 0.273 nan 8.310 nan 0.000 0.472 167 E N 1.875 121.981 120.200 -0.157 0.000 2.085 167 E HA -0.206 4.144 4.350 0.000 0.000 0.194 167 E C 0.809 177.156 176.600 -0.421 0.000 0.994 167 E CA 1.355 57.559 56.400 -0.325 0.000 0.801 167 E CB -0.037 29.370 29.700 -0.489 0.000 0.743 167 E HN 0.732 nan 8.360 nan 0.000 0.453 168 H N -1.004 118.062 119.070 -0.006 0.000 2.486 168 H HA 0.259 4.815 4.556 0.000 0.000 0.284 168 H C -0.783 174.539 175.328 -0.010 0.000 1.103 168 H CA -0.143 55.901 56.048 -0.007 0.000 1.089 168 H CB 0.584 30.342 29.762 -0.006 0.000 1.603 168 H HN -0.051 nan 8.280 nan 0.000 0.557 169 V N 1.976 121.914 119.914 0.040 0.000 2.409 169 V HA 0.072 4.192 4.120 0.000 0.000 0.291 169 V C 0.347 176.438 176.094 -0.006 0.000 1.020 169 V CA -0.981 61.331 62.300 0.020 0.000 0.848 169 V CB 1.916 33.743 31.823 0.006 0.000 0.990 169 V HN 0.234 nan 8.190 nan 0.000 0.430 170 N N 5.027 123.724 118.700 -0.005 0.000 2.421 170 N HA 0.240 4.980 4.740 0.000 0.000 0.260 170 N C -0.394 175.095 175.510 -0.035 0.000 1.173 170 N CA 0.051 53.088 53.050 -0.021 0.000 0.960 170 N CB 0.019 38.497 38.487 -0.016 0.000 1.273 170 N HN 0.617 nan 8.380 nan 0.000 0.497 171 L N 4.434 125.626 121.223 -0.052 0.000 2.426 171 L HA 0.291 4.631 4.340 0.000 0.000 0.271 171 L C -1.551 175.273 176.870 -0.076 0.000 1.169 171 L CA -1.571 53.229 54.840 -0.065 0.000 0.836 171 L CB 0.399 42.405 42.059 -0.088 0.000 1.112 171 L HN 0.366 nan 8.230 nan 0.000 0.465 172 P HA -0.053 nan 4.420 nan 0.000 0.269 172 P C 0.549 177.785 177.300 -0.107 0.000 1.209 172 P CA -0.447 62.608 63.100 -0.075 0.000 0.776 172 P CB 1.020 32.687 31.700 -0.055 0.000 0.876 173 L N 3.460 124.607 121.223 -0.126 0.000 2.081 173 L HA -0.240 4.100 4.340 0.000 0.000 0.212 173 L C 2.531 179.319 176.870 -0.138 0.000 1.080 173 L CA 2.698 57.429 54.840 -0.181 0.000 0.754 173 L CB -1.578 40.366 42.059 -0.192 0.000 0.893 173 L HN 0.522 nan 8.230 nan 0.000 0.433 174 S N -1.686 113.963 115.700 -0.085 0.000 2.374 174 S HA -0.272 4.198 4.470 0.000 0.000 0.227 174 S C 1.924 176.491 174.600 -0.056 0.000 1.037 174 S CA 1.338 59.506 58.200 -0.053 0.000 1.024 174 S CB -0.611 62.567 63.200 -0.036 0.000 0.861 174 S HN 0.572 nan 8.310 nan 0.000 0.456 175 Q N 0.575 120.333 119.800 -0.070 0.000 2.137 175 Q HA 0.223 4.563 4.340 0.000 0.000 0.198 175 Q C 2.228 178.164 176.000 -0.106 0.000 0.960 175 Q CA 0.786 56.548 55.803 -0.068 0.000 0.847 175 Q CB -0.821 27.883 28.738 -0.057 0.000 0.915 175 Q HN 0.576 nan 8.270 nan 0.000 0.448 176 L N 1.075 122.199 121.223 -0.165 0.000 2.079 176 L HA -0.168 4.172 4.340 0.000 0.000 0.210 176 L C 2.222 178.900 176.870 -0.320 0.000 1.081 176 L CA 1.630 56.292 54.840 -0.296 0.000 0.752 176 L CB -0.214 41.627 42.059 -0.363 0.000 0.896 176 L HN 0.051 nan 8.230 nan 0.000 0.433 177 R N -1.340 119.076 120.500 -0.140 0.000 2.083 177 R HA -0.146 4.194 4.340 0.000 0.000 0.237 177 R C 2.130 178.451 176.300 0.034 0.000 1.137 177 R CA 1.686 57.794 56.100 0.014 0.000 0.951 177 R CB -0.673 29.655 30.300 0.046 0.000 0.851 177 R HN 0.311 nan 8.270 nan 0.000 0.434 178 V N 1.681 121.592 119.914 -0.006 0.000 2.343 178 V HA -0.245 3.875 4.120 0.000 0.000 0.247 178 V C 2.319 178.424 176.094 0.017 0.000 1.051 178 V CA 1.667 63.973 62.300 0.010 0.000 1.036 178 V CB -0.465 31.356 31.823 -0.004 0.000 0.654 178 V HN 0.327 nan 8.190 nan 0.000 0.451 179 L N -0.704 120.504 121.223 -0.025 0.000 2.017 179 L HA -0.248 4.092 4.340 0.000 0.000 0.208 179 L C 2.542 179.469 176.870 0.095 0.000 1.073 179 L CA 2.000 56.836 54.840 -0.007 0.000 0.745 179 L CB -0.478 41.536 42.059 -0.075 0.000 0.894 179 L HN 0.423 nan 8.230 nan 0.000 0.432 180 H N -0.807 118.304 119.070 0.069 0.000 2.353 180 H HA -0.223 4.333 4.556 0.000 0.000 0.300 180 H C 2.228 177.606 175.328 0.083 0.000 1.090 180 H CA 1.466 57.571 56.048 0.094 0.000 1.327 180 H CB 0.132 29.976 29.762 0.136 0.000 1.383 180 H HN 0.280 nan 8.280 nan 0.000 0.508 181 K N 0.857 121.377 120.400 0.200 0.000 2.103 181 K HA -0.183 4.137 4.320 0.000 0.000 0.207 181 K C 1.839 178.493 176.600 0.089 0.000 1.048 181 K CA 1.670 58.031 56.287 0.123 0.000 0.930 181 K CB 0.167 32.719 32.500 0.086 0.000 0.716 181 K HN 0.401 nan 8.250 nan 0.000 0.444 182 E N 0.037 120.286 120.200 0.082 0.000 2.028 182 E HA -0.167 4.184 4.350 0.000 0.000 0.190 182 E C 2.023 178.671 176.600 0.079 0.000 0.984 182 E CA 1.018 57.456 56.400 0.065 0.000 0.800 182 E CB 0.026 29.757 29.700 0.051 0.000 0.758 182 E HN 0.177 nan 8.360 nan 0.000 0.448 183 K N 0.123 120.586 120.400 0.105 0.000 2.025 183 K HA -0.125 4.195 4.320 0.000 0.000 0.207 183 K C 1.998 178.661 176.600 0.106 0.000 1.049 183 K CA 1.959 58.310 56.287 0.106 0.000 0.933 183 K CB 0.122 32.704 32.500 0.137 0.000 0.714 183 K HN 0.245 nan 8.250 nan 0.000 0.438 184 T N -4.946 109.683 114.554 0.125 0.000 2.989 184 T HA 0.179 4.529 4.350 0.000 0.000 0.250 184 T C 1.931 176.668 174.700 0.062 0.000 0.981 184 T CA 0.249 62.413 62.100 0.107 0.000 0.980 184 T CB 0.182 69.172 68.868 0.205 0.000 1.133 184 T HN 0.183 nan 8.240 nan 0.000 0.489 185 G N 1.756 110.611 108.800 0.093 0.000 2.418 185 G HA2 0.049 4.009 3.960 0.000 0.000 0.217 185 G HA3 0.049 4.009 3.960 0.000 0.000 0.217 185 G C 1.837 176.791 174.900 0.089 0.000 1.158 185 G CA 0.983 46.135 45.100 0.087 0.000 0.771 185 G HN 0.720 nan 8.290 nan 0.000 0.545 186 A N 0.570 123.435 122.820 0.075 0.000 1.908 186 A HA 0.048 4.368 4.320 0.000 0.000 0.218 186 A C 2.428 180.091 177.584 0.132 0.000 1.181 186 A CA 1.379 53.464 52.037 0.079 0.000 0.627 186 A CB -0.420 18.609 19.000 0.049 0.000 0.818 186 A HN 0.361 nan 8.150 nan 0.000 0.445 187 L N -1.026 120.246 121.223 0.082 0.000 2.156 187 L HA -0.075 4.265 4.340 0.000 0.000 0.208 187 L C 2.406 179.321 176.870 0.075 0.000 1.095 187 L CA 0.625 55.517 54.840 0.086 0.000 0.770 187 L CB -0.387 41.680 42.059 0.013 0.000 0.914 187 L HN 0.363 nan 8.230 nan 0.000 0.439 188 L N -1.181 120.048 121.223 0.010 0.000 2.156 188 L HA -0.194 4.146 4.340 0.000 0.000 0.208 188 L C 2.530 179.403 176.870 0.005 0.000 1.095 188 L CA 0.851 55.672 54.840 -0.031 0.000 0.770 188 L CB -0.503 41.538 42.059 -0.030 0.000 0.914 188 L HN 0.286 nan 8.230 nan 0.000 0.439 189 H N -0.893 118.171 119.070 -0.009 0.000 2.321 189 H HA -0.298 4.258 4.556 0.000 0.000 0.300 189 H C 2.235 177.546 175.328 -0.027 0.000 1.087 189 H CA 2.189 58.234 56.048 -0.006 0.000 1.319 189 H CB -0.138 29.650 29.762 0.044 0.000 1.379 189 H HN 0.314 nan 8.280 nan 0.000 0.501 190 Y N 0.719 121.090 120.300 0.119 0.000 2.224 190 Y HA -0.209 4.341 4.550 0.000 0.000 0.289 190 Y C 2.526 178.369 175.900 -0.095 0.000 1.146 190 Y CA 1.546 59.669 58.100 0.037 0.000 1.182 190 Y CB -0.853 37.635 38.460 0.046 0.000 0.983 190 Y HN 0.360 nan 8.280 nan 0.000 0.524 191 A N -0.337 122.380 122.820 -0.171 0.000 1.892 191 A HA -0.225 4.095 4.320 0.000 0.000 0.218 191 A C 2.315 179.640 177.584 -0.432 0.000 1.188 191 A CA 2.512 54.373 52.037 -0.294 0.000 0.631 191 A CB -1.376 17.499 19.000 -0.208 0.000 0.822 191 A HN 0.365 nan 8.150 nan 0.000 0.447 192 V N -0.380 119.294 119.914 -0.400 0.000 2.379 192 V HA -0.251 3.869 4.120 0.000 0.000 0.245 192 V C 2.663 178.425 176.094 -0.552 0.000 1.044 192 V CA 2.035 64.084 62.300 -0.419 0.000 1.036 192 V CB -0.790 30.868 31.823 -0.275 0.000 0.664 192 V HN 0.754 nan 8.190 nan 0.000 0.453 193 Q N 0.189 119.638 119.800 -0.584 0.000 2.135 193 Q HA -0.246 4.094 4.340 0.000 0.000 0.204 193 Q C 2.252 177.891 176.000 -0.601 0.000 0.981 193 Q CA 2.045 57.478 55.803 -0.616 0.000 0.856 193 Q CB -0.276 28.250 28.738 -0.353 0.000 0.902 193 Q HN 0.635 nan 8.270 nan 0.000 0.425 194 A N 0.327 122.699 122.820 -0.747 0.000 1.940 194 A HA -0.145 4.175 4.320 0.000 0.000 0.219 194 A C 2.227 179.560 177.584 -0.419 0.000 1.176 194 A CA 1.694 53.366 52.037 -0.608 0.000 0.631 194 A CB -1.240 17.284 19.000 -0.793 0.000 0.814 194 A HN 0.609 nan 8.150 nan 0.000 0.446 195 G N -0.135 108.383 108.800 -0.470 0.000 2.418 195 G HA2 -0.142 3.818 3.960 0.000 0.000 0.217 195 G HA3 -0.142 3.818 3.960 0.000 0.000 0.217 195 G C 1.528 176.141 174.900 -0.477 0.000 1.158 195 G CA 1.002 45.841 45.100 -0.435 0.000 0.771 195 G HN 0.454 nan 8.290 nan 0.000 0.545 196 L N -0.026 120.814 121.223 -0.639 0.000 2.083 196 L HA -0.022 4.318 4.340 0.000 0.000 0.209 196 L C 2.820 179.502 176.870 -0.314 0.000 1.083 196 L CA 0.689 55.093 54.840 -0.727 0.000 0.752 196 L CB -0.419 40.759 42.059 -1.468 0.000 0.899 196 L HN 0.196 nan 8.230 nan 0.000 0.433 197 I N -0.286 120.154 120.570 -0.217 0.000 2.163 197 I HA -0.276 3.894 4.170 0.000 0.000 0.240 197 I C 2.431 178.534 176.117 -0.023 0.000 1.081 197 I CA 1.281 62.588 61.300 0.012 0.000 1.353 197 I CB -0.215 37.812 38.000 0.045 0.000 1.054 197 I HN 0.163 nan 8.210 nan 0.000 0.407 198 L N 0.336 121.499 121.223 -0.100 0.000 2.083 198 L HA -0.116 4.224 4.340 0.000 0.000 0.209 198 L C 2.339 179.147 176.870 -0.103 0.000 1.083 198 L CA 1.452 56.238 54.840 -0.089 0.000 0.752 198 L CB -0.791 41.164 42.059 -0.173 0.000 0.899 198 L HN 0.332 nan 8.230 nan 0.000 0.433 199 G N -1.943 106.764 108.800 -0.155 0.000 3.042 199 G HA2 -0.002 3.958 3.960 0.000 0.000 0.212 199 G HA3 -0.002 3.958 3.960 0.000 0.000 0.212 199 G C 0.562 175.420 174.900 -0.070 0.000 1.166 199 G CA -0.249 44.768 45.100 -0.139 0.000 0.767 199 G HN 0.447 nan 8.290 nan 0.000 0.546 200 Q N -0.757 119.031 119.800 -0.020 0.000 2.451 200 Q HA -0.193 4.147 4.340 0.000 0.000 0.305 200 Q C 0.672 176.720 176.000 0.080 0.000 1.345 200 Q CA -0.126 55.712 55.803 0.057 0.000 0.854 200 Q CB -1.858 26.907 28.738 0.044 0.000 1.162 200 Q HN 0.623 nan 8.270 nan 0.000 0.440 201 A N 1.066 123.931 122.820 0.075 0.000 2.540 201 A HA 0.346 4.667 4.320 0.000 0.000 0.239 201 A C -1.757 176.008 177.584 0.301 0.000 1.061 201 A CA -0.781 51.314 52.037 0.097 0.000 0.758 201 A CB 0.095 19.003 19.000 -0.153 0.000 0.991 201 A HN 0.129 nan 8.150 nan 0.000 0.502 202 P HA 0.045 nan 4.420 nan 0.000 0.266 202 P C 0.739 178.184 177.300 0.240 0.000 1.195 202 P CA -0.111 63.088 63.100 0.165 0.000 0.768 202 P CB 0.539 32.307 31.700 0.114 0.000 0.838 203 E N 2.507 122.747 120.200 0.067 0.000 2.130 203 E HA -0.283 4.067 4.350 0.000 0.000 0.196 203 E C 1.704 178.365 176.600 0.101 0.000 0.998 203 E CA 1.564 57.921 56.400 -0.073 0.000 0.806 203 E CB -0.264 29.341 29.700 -0.159 0.000 0.738 203 E HN 0.530 nan 8.360 nan 0.000 0.459 204 A N 0.376 123.264 122.820 0.113 0.000 2.070 204 A HA -0.190 4.130 4.320 0.000 0.000 0.220 204 A C 1.880 179.567 177.584 0.171 0.000 1.159 204 A CA 1.175 53.280 52.037 0.114 0.000 0.656 204 A CB -0.217 18.828 19.000 0.075 0.000 0.800 204 A HN 0.307 nan 8.150 nan 0.000 0.453 205 Q N -2.196 117.759 119.800 0.258 0.000 2.398 205 Q HA -0.102 4.238 4.340 0.000 0.000 0.204 205 Q C 1.542 177.774 176.000 0.387 0.000 0.932 205 Q CA 0.407 56.384 55.803 0.289 0.000 0.916 205 Q CB -0.085 28.853 28.738 0.332 0.000 1.024 205 Q HN 0.863 nan 8.270 nan 0.000 0.504 206 W N 1.385 122.756 121.300 0.119 0.000 2.338 206 W HA -0.111 4.549 4.660 0.000 0.000 0.304 206 W C -0.777 175.809 176.519 0.113 0.000 1.212 206 W CA 0.978 58.386 57.345 0.106 0.000 1.264 206 W CB -1.698 27.791 29.460 0.048 0.000 1.142 206 W HN 0.209 nan 8.180 nan 0.000 0.512 207 P HA -0.177 nan 4.420 nan 0.000 0.215 207 P C 1.578 178.962 177.300 0.141 0.000 1.153 207 P CA 3.062 66.279 63.100 0.196 0.000 0.853 207 P CB -0.354 31.431 31.700 0.142 0.000 0.788 208 A N -1.637 121.242 122.820 0.097 0.000 1.873 208 A HA -0.201 4.119 4.320 0.000 0.000 0.215 208 A C 2.144 179.727 177.584 -0.003 0.000 1.186 208 A CA 1.354 53.395 52.037 0.005 0.000 0.616 208 A CB -1.899 17.041 19.000 -0.101 0.000 0.823 208 A HN 0.129 nan 8.150 nan 0.000 0.442 209 Y N 0.039 120.332 120.300 -0.012 0.000 2.165 209 Y HA -0.160 4.390 4.550 0.000 0.000 0.286 209 Y C 2.178 178.080 175.900 0.003 0.000 1.155 209 Y CA 1.625 59.693 58.100 -0.054 0.000 1.164 209 Y CB -0.187 38.138 38.460 -0.224 0.000 0.978 209 Y HN 0.187 nan 8.280 nan 0.000 0.513 210 L N -0.824 120.471 121.223 0.119 0.000 2.270 210 L HA -0.154 4.187 4.340 0.000 0.000 0.210 210 L C 2.193 179.121 176.870 0.096 0.000 1.104 210 L CA 0.756 55.603 54.840 0.011 0.000 0.804 210 L CB -0.426 41.645 42.059 0.020 0.000 0.937 210 L HN 0.255 nan 8.230 nan 0.000 0.450 211 Q N -0.360 119.521 119.800 0.135 0.000 2.050 211 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 211 Q C 2.113 178.208 176.000 0.159 0.000 0.980 211 Q CA 1.899 57.782 55.803 0.133 0.000 0.840 211 Q CB -0.233 28.572 28.738 0.111 0.000 0.898 211 Q HN 0.415 nan 8.270 nan 0.000 0.424 212 F N 1.227 121.209 119.950 0.054 0.000 2.091 212 F HA -0.283 4.244 4.527 0.000 0.000 0.299 212 F C 2.061 177.947 175.800 0.143 0.000 1.103 212 F CA 1.613 59.680 58.000 0.112 0.000 1.228 212 F CB -0.548 38.460 39.000 0.013 0.000 0.984 212 F HN 0.017 nan 8.300 nan 0.000 0.477 213 A N 0.259 122.973 122.820 -0.177 0.000 1.883 213 A HA -0.216 4.104 4.320 0.000 0.000 0.217 213 A C 1.998 179.522 177.584 -0.101 0.000 1.186 213 A CA 2.060 53.925 52.037 -0.287 0.000 0.624 213 A CB -1.165 17.709 19.000 -0.210 0.000 0.822 213 A HN 0.512 nan 8.150 nan 0.000 0.444 214 D N -0.043 120.376 120.400 0.033 0.000 2.144 214 D HA -0.039 4.601 4.640 0.000 0.000 0.199 214 D C 2.177 178.515 176.300 0.064 0.000 0.984 214 D CA 1.503 55.566 54.000 0.104 0.000 0.834 214 D CB -0.394 40.495 40.800 0.148 0.000 0.955 214 D HN 0.445 nan 8.370 nan 0.000 0.465 215 A N 0.119 122.975 122.820 0.060 0.000 1.929 215 A HA -0.106 4.214 4.320 0.000 0.000 0.216 215 A C 2.057 179.719 177.584 0.129 0.000 1.176 215 A CA 0.627 52.717 52.037 0.088 0.000 0.628 215 A CB -0.848 18.232 19.000 0.133 0.000 0.816 215 A HN 0.212 nan 8.150 nan 0.000 0.444 216 F N 1.172 121.082 119.950 -0.066 0.000 2.102 216 F HA -0.026 4.501 4.527 0.000 0.000 0.298 216 F C 2.340 178.151 175.800 0.018 0.000 1.105 216 F CA 1.587 59.532 58.000 -0.091 0.000 1.239 216 F CB -0.616 38.011 39.000 -0.622 0.000 0.991 216 F HN 0.218 nan 8.300 nan 0.000 0.474 217 G N 0.374 109.214 108.800 0.067 0.000 2.418 217 G HA2 -0.285 3.675 3.960 0.000 0.000 0.217 217 G HA3 -0.285 3.675 3.960 0.000 0.000 0.217 217 G C 1.567 176.478 174.900 0.019 0.000 1.158 217 G CA 1.012 46.144 45.100 0.053 0.000 0.771 217 G HN 0.420 nan 8.290 nan 0.000 0.545 218 L N 1.385 122.594 121.223 -0.024 0.000 2.027 218 L HA 0.216 4.556 4.340 0.000 0.000 0.206 218 L C 3.056 179.776 176.870 -0.250 0.000 1.074 218 L CA 2.154 56.945 54.840 -0.082 0.000 0.745 218 L CB -0.889 41.146 42.059 -0.040 0.000 0.898 218 L HN 0.226 nan 8.230 nan 0.000 0.433 219 A N -0.676 121.940 122.820 -0.339 0.000 1.908 219 A HA -0.300 4.020 4.320 0.000 0.000 0.218 219 A C 2.321 179.418 177.584 -0.811 0.000 1.181 219 A CA 1.962 53.581 52.037 -0.697 0.000 0.627 219 A CB -1.342 17.117 19.000 -0.901 0.000 0.818 219 A HN 0.603 nan 8.150 nan 0.000 0.445 220 F N 0.655 120.221 119.950 -0.639 0.000 2.087 220 F HA -0.313 4.214 4.527 0.000 0.000 0.299 220 F C 2.413 178.125 175.800 -0.148 0.000 1.100 220 F CA 2.638 60.512 58.000 -0.210 0.000 1.226 220 F CB -0.332 38.573 39.000 -0.157 0.000 0.983 220 F HN 0.345 nan 8.300 nan 0.000 0.479 221 Q N 0.735 120.402 119.800 -0.222 0.000 2.123 221 Q HA -0.088 4.253 4.340 0.000 0.000 0.199 221 Q C 2.032 177.771 176.000 -0.436 0.000 0.966 221 Q CA 2.108 57.688 55.803 -0.371 0.000 0.845 221 Q CB -0.495 28.009 28.738 -0.390 0.000 0.907 221 Q HN 0.649 nan 8.270 nan 0.000 0.439 222 I N -0.287 119.993 120.570 -0.483 0.000 2.226 222 I HA -0.263 3.907 4.170 0.000 0.000 0.245 222 I C 1.898 177.851 176.117 -0.274 0.000 1.100 222 I CA 1.256 62.242 61.300 -0.523 0.000 1.374 222 I CB -0.355 37.229 38.000 -0.693 0.000 1.057 222 I HN 0.273 nan 8.210 nan 0.000 0.413 223 Y N 1.552 121.606 120.300 -0.411 0.000 2.242 223 Y HA -0.279 4.271 4.550 0.001 0.000 0.291 223 Y C 2.121 177.880 175.900 -0.234 0.000 1.137 223 Y CA 1.777 59.726 58.100 -0.252 0.000 1.181 223 Y CB -0.462 37.931 38.460 -0.112 0.000 0.989 223 Y HN 0.235 nan 8.280 nan 0.000 0.527 224 D N -0.470 119.694 120.400 -0.393 0.000 2.123 224 D HA -0.197 4.443 4.640 0.000 0.000 0.196 224 D C 1.603 177.730 176.300 -0.288 0.000 0.992 224 D CA 1.855 55.595 54.000 -0.433 0.000 0.833 224 D CB -0.084 40.398 40.800 -0.531 0.000 0.954 224 D HN 0.304 nan 8.370 nan 0.000 0.455 225 D N -0.334 119.937 120.400 -0.215 0.000 2.117 225 D HA -0.108 4.532 4.640 0.000 0.000 0.197 225 D C 2.180 178.418 176.300 -0.104 0.000 0.987 225 D CA 0.634 54.577 54.000 -0.095 0.000 0.829 225 D CB -0.238 40.574 40.800 0.020 0.000 0.961 225 D HN 0.365 nan 8.370 nan 0.000 0.460 226 I N 0.449 120.934 120.570 -0.142 0.000 2.179 226 I HA -0.235 3.935 4.170 0.000 0.000 0.242 226 I C 2.364 178.370 176.117 -0.185 0.000 1.088 226 I CA 0.695 61.921 61.300 -0.124 0.000 1.357 226 I CB -0.135 37.816 38.000 -0.081 0.000 1.051 226 I HN -0.005 nan 8.210 nan 0.000 0.409 227 L N 0.012 121.033 121.223 -0.336 0.000 2.079 227 L HA -0.266 4.074 4.340 0.000 0.000 0.210 227 L C 2.250 179.015 176.870 -0.176 0.000 1.081 227 L CA 1.269 55.921 54.840 -0.314 0.000 0.752 227 L CB -0.671 41.121 42.059 -0.445 0.000 0.896 227 L HN 0.331 nan 8.230 nan 0.000 0.433 228 D N -0.391 119.919 120.400 -0.150 0.000 2.218 228 D HA -0.126 4.514 4.640 0.000 0.000 0.204 228 D C 2.048 178.312 176.300 -0.060 0.000 0.976 228 D CA 1.020 54.966 54.000 -0.089 0.000 0.853 228 D CB 0.450 41.206 40.800 -0.072 0.000 0.939 228 D HN 0.137 nan 8.370 nan 0.000 0.481 229 V N 0.330 120.208 119.914 -0.060 0.000 2.575 229 V HA -0.104 4.016 4.120 0.000 0.000 0.242 229 V C 2.434 178.509 176.094 -0.033 0.000 1.045 229 V CA 1.185 63.464 62.300 -0.035 0.000 1.065 229 V CB 0.503 32.313 31.823 -0.022 0.000 0.717 229 V HN 0.171 nan 8.190 nan 0.000 0.467 230 V N -1.115 118.771 119.914 -0.045 0.000 3.608 230 V HA 0.260 4.380 4.120 0.000 0.000 0.269 230 V C 0.793 176.869 176.094 -0.031 0.000 1.245 230 V CA 0.687 62.968 62.300 -0.031 0.000 1.138 230 V CB -0.229 31.578 31.823 -0.026 0.000 0.841 230 V HN 0.503 nan 8.190 nan 0.000 0.451 231 S N 0.878 116.551 115.700 -0.044 0.000 2.566 231 S HA 0.757 5.227 4.470 0.000 0.000 0.298 231 S C -0.241 174.342 174.600 -0.028 0.000 1.083 231 S CA 0.143 58.322 58.200 -0.036 0.000 0.978 231 S CB 1.962 65.132 63.200 -0.049 0.000 1.073 231 S HN 0.944 nan 8.310 nan 0.000 0.491 232 S N 1.433 117.123 115.700 -0.018 0.000 2.525 232 S HA 0.748 5.218 4.470 0.000 0.000 0.290 232 S C -2.694 171.899 174.600 -0.012 0.000 1.152 232 S CA -1.038 57.154 58.200 -0.013 0.000 1.072 232 S CB -0.082 63.114 63.200 -0.006 0.000 1.027 232 S HN 0.700 nan 8.310 nan 0.000 0.500 233 P HA 0.425 nan 4.420 nan 0.000 0.270 233 P C 0.054 177.352 177.300 -0.002 0.000 1.223 233 P CA -0.460 62.635 63.100 -0.007 0.000 0.785 233 P CB 0.123 31.821 31.700 -0.004 0.000 0.923 245 D N 1.304 121.720 120.400 0.027 0.000 2.123 245 D HA -0.070 4.570 4.640 0.000 0.000 0.200 245 D C 1.861 178.156 176.300 -0.008 0.000 0.976 245 D CA 1.544 55.560 54.000 0.026 0.000 0.831 245 D CB -0.135 40.708 40.800 0.071 0.000 0.974 245 D HN 0.679 nan 8.370 nan 0.000 0.469 246 E N 1.025 121.215 120.200 -0.017 0.000 2.106 246 E HA -0.077 4.273 4.350 0.000 0.000 0.192 246 E C 1.927 178.524 176.600 -0.005 0.000 0.984 246 E CA 0.917 57.303 56.400 -0.024 0.000 0.806 246 E CB -0.412 29.274 29.700 -0.024 0.000 0.750 246 E HN 0.200 nan 8.360 nan 0.000 0.458 247 A N 1.414 124.235 122.820 0.000 0.000 2.216 247 A HA -0.100 4.220 4.320 0.000 0.000 0.214 247 A C 1.980 179.567 177.584 0.005 0.000 1.160 247 A CA 0.904 52.944 52.037 0.005 0.000 0.725 247 A CB -0.335 18.667 19.000 0.004 0.000 0.784 247 A HN 0.106 nan 8.150 nan 0.000 0.472 248 K N -0.003 120.397 120.400 -0.001 0.000 2.167 248 K HA 0.014 4.334 4.320 0.000 0.000 0.203 248 K C 0.023 176.612 176.600 -0.018 0.000 1.052 248 K CA 0.540 56.822 56.287 -0.008 0.000 0.956 248 K CB 0.038 32.533 32.500 -0.008 0.000 0.735 248 K HN 0.280 nan 8.250 nan 0.000 0.451 249 N N 2.271 120.961 118.700 -0.017 0.000 3.259 249 N HA 0.001 4.741 4.740 0.000 0.000 0.308 249 N C -0.747 174.773 175.510 0.017 0.000 1.334 249 N CA 0.406 53.437 53.050 -0.031 0.000 1.202 249 N CB 0.420 38.881 38.487 -0.044 0.000 1.485 249 N HN 0.242 nan 8.380 nan 0.000 0.549 250 T N -4.064 110.505 114.554 0.025 0.000 2.883 250 T HA 0.304 4.654 4.350 0.000 0.000 0.301 250 T C 0.957 175.709 174.700 0.085 0.000 1.158 250 T CA -0.651 61.521 62.100 0.120 0.000 1.007 250 T CB 0.935 69.856 68.868 0.090 0.000 1.186 250 T HN -0.026 nan 8.240 nan 0.000 0.499 251 Y N 1.243 121.584 120.300 0.068 0.000 2.128 251 Y HA 0.056 4.606 4.550 0.000 0.000 0.284 251 Y C -0.730 175.176 175.900 0.011 0.000 1.154 251 Y CA 1.700 59.823 58.100 0.037 0.000 1.149 251 Y CB -1.740 36.736 38.460 0.027 0.000 0.976 251 Y HN 0.542 nan 8.280 nan 0.000 0.505 252 P HA -0.080 nan 4.420 nan 0.000 0.219 252 P C 1.724 179.042 177.300 0.031 0.000 1.150 252 P CA 1.986 65.128 63.100 0.069 0.000 0.814 252 P CB -0.254 31.474 31.700 0.046 0.000 0.787 253 G N 0.305 109.117 108.800 0.020 0.000 2.422 253 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 253 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 253 G C 1.499 176.384 174.900 -0.025 0.000 1.146 253 G CA 0.827 45.925 45.100 -0.003 0.000 0.769 253 G HN 0.212 nan 8.290 nan 0.000 0.547 254 K N -0.164 120.206 120.400 -0.051 0.000 2.166 254 K HA 0.274 4.594 4.320 0.000 0.000 0.201 254 K C 2.158 178.727 176.600 -0.051 0.000 1.052 254 K CA 0.379 56.619 56.287 -0.078 0.000 0.969 254 K CB -0.110 32.296 32.500 -0.157 0.000 0.761 254 K HN 0.357 nan 8.250 nan 0.000 0.459 255 L N -0.322 120.885 121.223 -0.027 0.000 2.701 255 L HA 0.238 4.578 4.340 0.000 0.000 0.238 255 L C 0.511 177.391 176.870 0.016 0.000 1.106 255 L CA -0.003 54.837 54.840 0.000 0.000 0.898 255 L CB 0.388 42.468 42.059 0.035 0.000 1.188 255 L HN 0.263 nan 8.230 nan 0.000 0.508 256 G N 0.237 109.047 108.800 0.017 0.000 2.758 256 G HA2 -0.239 3.721 3.960 0.000 0.000 0.686 256 G HA3 -0.239 3.721 3.960 0.000 0.000 0.686 256 G C -0.054 174.866 174.900 0.033 0.000 1.389 256 G CA -0.313 44.799 45.100 0.020 0.000 0.845 256 G HN -0.072 nan 8.290 nan 0.000 0.572 257 L N 0.955 122.194 121.223 0.027 0.000 2.056 257 L HA 0.157 4.497 4.340 0.000 0.000 0.207 257 L C 2.881 179.770 176.870 0.032 0.000 1.078 257 L CA 2.182 57.039 54.840 0.029 0.000 0.749 257 L CB -0.796 41.274 42.059 0.019 0.000 0.901 257 L HN 0.669 nan 8.230 nan 0.000 0.433 258 I N -1.086 119.500 120.570 0.026 0.000 2.179 258 I HA -0.224 3.946 4.170 0.000 0.000 0.242 258 I C 2.431 178.566 176.117 0.029 0.000 1.088 258 I CA 1.340 62.654 61.300 0.023 0.000 1.357 258 I CB -0.981 37.029 38.000 0.016 0.000 1.051 258 I HN 0.367 nan 8.210 nan 0.000 0.409 259 G N 0.401 109.221 108.800 0.035 0.000 2.418 259 G HA2 -0.244 3.717 3.960 0.000 0.000 0.217 259 G HA3 -0.244 3.717 3.960 0.000 0.000 0.217 259 G C 1.857 176.804 174.900 0.078 0.000 1.158 259 G CA 0.840 45.968 45.100 0.047 0.000 0.771 259 G HN 0.493 nan 8.290 nan 0.000 0.545 260 A N 1.130 124.008 122.820 0.095 0.000 1.877 260 A HA -0.132 4.188 4.320 0.000 0.000 0.216 260 A C 2.198 179.809 177.584 0.045 0.000 1.186 260 A CA 2.138 54.253 52.037 0.130 0.000 0.620 260 A CB -0.618 18.460 19.000 0.130 0.000 0.822 260 A HN 0.425 nan 8.150 nan 0.000 0.443 261 N N -0.623 118.096 118.700 0.033 0.000 2.166 261 N HA -0.142 4.598 4.740 0.000 0.000 0.186 261 N C 1.933 177.443 175.510 -0.001 0.000 1.019 261 N CA 1.436 54.496 53.050 0.016 0.000 0.856 261 N CB -0.196 38.308 38.487 0.029 0.000 0.993 261 N HN 0.438 nan 8.380 nan 0.000 0.426 262 Q N -0.207 119.599 119.800 0.010 0.000 2.124 262 Q HA -0.036 4.304 4.340 0.000 0.000 0.202 262 Q C 1.984 177.979 176.000 -0.008 0.000 0.977 262 Q CA 1.363 57.166 55.803 0.000 0.000 0.850 262 Q CB -0.419 28.325 28.738 0.010 0.000 0.901 262 Q HN 0.492 nan 8.270 nan 0.000 0.429 263 A N 0.860 123.686 122.820 0.010 0.000 1.902 263 A HA -0.164 4.156 4.320 0.000 0.000 0.217 263 A C 2.123 179.645 177.584 -0.104 0.000 1.181 263 A CA 1.185 53.220 52.037 -0.003 0.000 0.623 263 A CB -0.608 18.450 19.000 0.097 0.000 0.818 263 A HN 0.327 nan 8.150 nan 0.000 0.443 264 L N 0.063 121.203 121.223 -0.138 0.000 1.994 264 L HA -0.132 4.208 4.340 0.000 0.000 0.208 264 L C 2.255 179.031 176.870 -0.158 0.000 1.071 264 L CA 1.881 56.600 54.840 -0.202 0.000 0.745 264 L CB -0.485 41.479 42.059 -0.159 0.000 0.892 264 L HN 0.435 nan 8.230 nan 0.000 0.431 265 I N -0.367 120.150 120.570 -0.089 0.000 2.163 265 I HA -0.305 3.865 4.170 0.000 0.000 0.243 265 I C 2.209 178.289 176.117 -0.061 0.000 1.085 265 I CA 1.768 63.030 61.300 -0.064 0.000 1.347 265 I CB -0.435 37.541 38.000 -0.039 0.000 1.044 265 I HN 0.374 nan 8.210 nan 0.000 0.408 266 D N 0.233 120.601 120.400 -0.054 0.000 2.144 266 D HA -0.156 4.484 4.640 0.000 0.000 0.199 266 D C 2.091 178.372 176.300 -0.032 0.000 0.984 266 D CA 1.508 55.492 54.000 -0.027 0.000 0.834 266 D CB 0.083 40.873 40.800 -0.017 0.000 0.955 266 D HN 0.179 nan 8.370 nan 0.000 0.465 267 T N -0.021 114.480 114.554 -0.088 0.000 2.777 267 T HA -0.062 4.288 4.350 0.000 0.000 0.266 267 T C 2.123 176.702 174.700 -0.201 0.000 1.040 267 T CA 0.779 62.808 62.100 -0.118 0.000 1.141 267 T CB -0.212 68.562 68.868 -0.158 0.000 0.868 267 T HN 0.181 nan 8.240 nan 0.000 0.444 268 I N 0.566 120.971 120.570 -0.274 0.000 2.163 268 I HA -0.256 3.914 4.170 0.000 0.000 0.243 268 I C 2.627 178.409 176.117 -0.559 0.000 1.085 268 I CA 1.518 62.483 61.300 -0.557 0.000 1.347 268 I CB -0.457 37.369 38.000 -0.290 0.000 1.044 268 I HN 0.402 nan 8.210 nan 0.000 0.408 269 H N 0.881 119.766 119.070 -0.309 0.000 2.387 269 H HA -0.162 4.394 4.556 0.000 0.000 0.299 269 H C 2.435 177.662 175.328 -0.169 0.000 1.090 269 H CA 1.982 57.905 56.048 -0.208 0.000 1.332 269 H CB 0.193 29.883 29.762 -0.120 0.000 1.386 269 H HN 0.406 nan 8.280 nan 0.000 0.516 270 S N -0.342 115.275 115.700 -0.139 0.000 2.382 270 S HA -0.081 4.389 4.470 0.000 0.000 0.228 270 S C 2.453 176.988 174.600 -0.108 0.000 1.027 270 S CA 1.041 59.178 58.200 -0.104 0.000 0.991 270 S CB -0.925 62.266 63.200 -0.017 0.000 0.823 270 S HN 0.503 nan 8.310 nan 0.000 0.469 271 G N 1.111 109.823 108.800 -0.147 0.000 2.402 271 G HA2 -0.139 3.821 3.960 0.000 0.000 0.216 271 G HA3 -0.139 3.821 3.960 0.000 0.000 0.216 271 G C 1.544 176.531 174.900 0.146 0.000 1.162 271 G CA 0.740 45.896 45.100 0.094 0.000 0.777 271 G HN 0.610 nan 8.290 nan 0.000 0.539 272 Q N 0.209 119.893 119.800 -0.192 0.000 2.084 272 Q HA 0.036 4.376 4.340 0.000 0.000 0.202 272 Q C 2.983 178.903 176.000 -0.133 0.000 0.978 272 Q CA 1.277 57.023 55.803 -0.096 0.000 0.844 272 Q CB -0.271 28.346 28.738 -0.202 0.000 0.898 272 Q HN 0.465 nan 8.270 nan 0.000 0.426 273 A N 0.994 123.657 122.820 -0.263 0.000 1.972 273 A HA -0.130 4.190 4.320 0.000 0.000 0.219 273 A C 2.264 179.792 177.584 -0.094 0.000 1.169 273 A CA 1.542 53.451 52.037 -0.213 0.000 0.635 273 A CB -0.732 18.106 19.000 -0.270 0.000 0.810 273 A HN 0.403 nan 8.150 nan 0.000 0.446 274 A N -0.397 122.401 122.820 -0.036 0.000 1.898 274 A HA -0.000 4.320 4.320 0.000 0.000 0.216 274 A C 2.119 179.670 177.584 -0.055 0.000 1.181 274 A CA 1.404 53.442 52.037 0.002 0.000 0.620 274 A CB -0.487 18.569 19.000 0.093 0.000 0.819 274 A HN 0.463 nan 8.150 nan 0.000 0.442 275 L N -0.918 120.268 121.223 -0.063 0.000 2.217 275 L HA -0.143 4.197 4.340 0.000 0.000 0.211 275 L C 2.561 179.326 176.870 -0.174 0.000 1.107 275 L CA 0.864 55.586 54.840 -0.197 0.000 0.783 275 L CB -0.381 41.548 42.059 -0.216 0.000 0.919 275 L HN 0.506 nan 8.230 nan 0.000 0.442 276 Q N -0.475 119.257 119.800 -0.113 0.000 2.436 276 Q HA -0.077 4.263 4.340 0.000 0.000 0.209 276 Q C 1.982 177.932 176.000 -0.084 0.000 0.965 276 Q CA 0.823 56.570 55.803 -0.093 0.000 0.910 276 Q CB -0.026 28.666 28.738 -0.077 0.000 0.980 276 Q HN 0.541 nan 8.270 nan 0.000 0.491 277 G N -0.050 108.696 108.800 -0.090 0.000 2.744 277 G HA2 0.076 4.036 3.960 0.000 0.000 0.211 277 G HA3 0.076 4.036 3.960 0.000 0.000 0.211 277 G C 0.421 175.270 174.900 -0.085 0.000 1.143 277 G CA 0.072 45.129 45.100 -0.071 0.000 0.788 277 G HN 0.068 nan 8.290 nan 0.000 0.534 278 L N 0.028 121.171 121.223 -0.134 0.000 2.332 278 L HA 0.432 4.772 4.340 0.000 0.000 0.269 278 L C -2.176 174.635 176.870 -0.099 0.000 1.016 278 L CA -2.290 52.469 54.840 -0.135 0.000 0.809 278 L CB 1.651 43.556 42.059 -0.255 0.000 1.280 278 L HN -0.202 nan 8.230 nan 0.000 0.447 279 P HA 0.068 nan 4.420 nan 0.000 0.268 279 P C -0.793 176.472 177.300 -0.059 0.000 1.205 279 P CA -0.165 62.907 63.100 -0.047 0.000 0.771 279 P CB 0.367 32.052 31.700 -0.025 0.000 0.858 280 T N 1.716 116.241 114.554 -0.048 0.000 2.930 280 T HA 0.431 4.781 4.350 0.000 0.000 0.306 280 T C 0.276 174.953 174.700 -0.038 0.000 1.045 280 T CA -0.103 61.968 62.100 -0.049 0.000 1.134 280 T CB 0.033 68.880 68.868 -0.036 0.000 0.961 280 T HN 0.581 nan 8.240 nan 0.000 0.545 281 S N 0.416 116.091 115.700 -0.042 0.000 2.588 281 S HA 0.371 4.842 4.470 0.000 0.000 0.269 281 S C 0.829 175.414 174.600 -0.026 0.000 1.157 281 S CA -0.505 57.679 58.200 -0.026 0.000 0.824 281 S CB 1.368 64.555 63.200 -0.022 0.000 1.126 281 S HN 0.523 nan 8.310 nan 0.000 0.464 282 T N 0.469 115.018 114.554 -0.008 0.000 2.867 282 T HA -0.075 4.275 4.350 0.000 0.000 0.268 282 T C 1.446 176.145 174.700 -0.001 0.000 1.057 282 T CA 2.188 64.288 62.100 0.000 0.000 1.136 282 T CB -0.516 68.362 68.868 0.016 0.000 0.874 282 T HN 0.635 nan 8.240 nan 0.000 0.466 283 Q N 0.443 120.243 119.800 -0.001 0.000 2.123 283 Q HA 0.157 4.497 4.340 0.000 0.000 0.199 283 Q C 2.474 178.432 176.000 -0.071 0.000 0.966 283 Q CA 1.148 56.947 55.803 -0.007 0.000 0.845 283 Q CB -0.134 28.610 28.738 0.009 0.000 0.907 283 Q HN 0.428 nan 8.270 nan 0.000 0.439 284 R N 0.396 120.845 120.500 -0.086 0.000 2.148 284 R HA -0.078 4.262 4.340 0.000 0.000 0.223 284 R C 1.111 177.322 176.300 -0.148 0.000 1.088 284 R CA 1.058 57.065 56.100 -0.154 0.000 0.985 284 R CB 0.009 30.209 30.300 -0.167 0.000 0.880 284 R HN 0.322 nan 8.270 nan 0.000 0.451 285 D N 0.709 121.057 120.400 -0.086 0.000 2.144 285 D HA -0.125 4.515 4.640 0.000 0.000 0.200 285 D C 1.277 177.543 176.300 -0.056 0.000 0.978 285 D CA 1.075 55.041 54.000 -0.057 0.000 0.833 285 D CB -0.139 40.643 40.800 -0.029 0.000 0.961 285 D HN 0.114 nan 8.370 nan 0.000 0.470 286 D N 0.430 120.792 120.400 -0.064 0.000 2.117 286 D HA -0.124 4.516 4.640 0.000 0.000 0.197 286 D C 2.171 178.407 176.300 -0.107 0.000 0.987 286 D CA 0.329 54.278 54.000 -0.085 0.000 0.829 286 D CB -0.274 40.483 40.800 -0.072 0.000 0.961 286 D HN 0.121 nan 8.370 nan 0.000 0.460 287 L N 0.973 122.078 121.223 -0.197 0.000 2.046 287 L HA -0.078 4.262 4.340 0.000 0.000 0.208 287 L C 2.142 178.908 176.870 -0.174 0.000 1.077 287 L CA 1.703 56.351 54.840 -0.321 0.000 0.747 287 L CB -0.772 40.963 42.059 -0.539 0.000 0.896 287 L HN -0.031 nan 8.230 nan 0.000 0.432 288 A N -0.654 122.093 122.820 -0.122 0.000 1.972 288 A HA -0.097 4.223 4.320 0.000 0.000 0.219 288 A C 2.388 180.102 177.584 0.217 0.000 1.169 288 A CA 1.520 53.616 52.037 0.099 0.000 0.635 288 A CB -1.051 17.988 19.000 0.064 0.000 0.810 288 A HN 0.540 nan 8.150 nan 0.000 0.446 289 A N -1.438 121.435 122.820 0.089 0.000 2.125 289 A HA 0.041 4.361 4.320 0.000 0.000 0.219 289 A C 1.715 179.258 177.584 -0.069 0.000 1.156 289 A CA 1.089 53.129 52.037 0.005 0.000 0.671 289 A CB -0.779 18.162 19.000 -0.099 0.000 0.794 289 A HN 0.448 nan 8.150 nan 0.000 0.459 290 F N -1.251 118.585 119.950 -0.191 0.000 2.269 290 F HA -0.109 4.418 4.527 0.000 0.000 0.301 290 F C 1.661 177.467 175.800 0.011 0.000 1.082 290 F CA 1.043 58.922 58.000 -0.201 0.000 1.360 290 F CB -0.590 38.203 39.000 -0.344 0.000 1.041 290 F HN 0.275 nan 8.300 nan 0.000 0.512 291 F N -0.006 120.191 119.950 0.412 0.000 2.451 291 F HA -0.158 4.369 4.527 0.000 0.000 0.299 291 F C 2.625 178.495 175.800 0.117 0.000 1.101 291 F CA 1.073 59.313 58.000 0.401 0.000 1.436 291 F CB -1.239 37.998 39.000 0.395 0.000 1.074 291 F HN -0.027 nan 8.300 nan 0.000 0.553 292 S N -1.565 114.192 115.700 0.095 0.000 2.515 292 S HA -0.189 4.281 4.470 0.000 0.000 0.231 292 S C 1.806 176.296 174.600 -0.182 0.000 0.987 292 S CA 0.386 58.559 58.200 -0.046 0.000 0.936 292 S CB -0.980 62.163 63.200 -0.095 0.000 0.766 292 S HN 0.337 nan 8.310 nan 0.000 0.528 293 Y N 1.505 121.611 120.300 -0.323 0.000 2.256 293 Y HA 0.093 4.643 4.550 0.000 0.000 0.288 293 Y C 0.484 175.993 175.900 -0.651 0.000 1.155 293 Y CA 0.008 57.808 58.100 -0.500 0.000 1.203 293 Y CB -0.644 37.417 38.460 -0.666 0.000 0.980 293 Y HN 0.281 nan 8.280 nan 0.000 0.530 294 F N 0.972 120.815 119.950 -0.178 0.000 2.413 294 F HA 0.179 4.706 4.527 -0.000 0.000 0.359 294 F C 0.291 175.844 175.800 -0.412 0.000 1.122 294 F CA -1.566 56.022 58.000 -0.687 0.000 1.160 294 F CB 0.079 38.812 39.000 -0.446 0.000 1.146 294 F HN -0.182 nan 8.300 nan 0.000 0.514 295 D N 2.629 122.884 120.400 -0.243 0.000 2.393 295 D HA 0.049 4.689 4.640 0.000 0.000 0.232 295 D C 1.091 177.465 176.300 0.123 0.000 1.192 295 D CA -0.055 53.977 54.000 0.052 0.000 0.882 295 D CB 0.803 41.702 40.800 0.164 0.000 1.038 295 D HN 0.605 nan 8.370 nan 0.000 0.499 296 T N 0.339 114.938 114.554 0.076 0.000 3.194 296 T HA 0.077 4.427 4.350 0.000 0.000 0.251 296 T C 0.836 175.578 174.700 0.069 0.000 1.132 296 T CA 0.188 62.333 62.100 0.075 0.000 1.028 296 T CB -0.053 68.839 68.868 0.040 0.000 0.976 296 T HN 0.392 nan 8.240 nan 0.000 0.535 297 E N 0.405 120.651 120.200 0.077 0.000 2.498 297 E HA 0.207 4.557 4.350 0.000 0.000 0.203 297 E C 1.910 178.549 176.600 0.066 0.000 1.013 297 E CA -0.381 56.054 56.400 0.059 0.000 0.927 297 E CB 0.292 30.020 29.700 0.047 0.000 1.012 297 E HN 0.407 nan 8.360 nan 0.000 0.482 298 R N 0.484 121.040 120.500 0.094 0.000 2.189 298 R HA 0.018 4.358 4.340 0.000 0.000 0.223 298 R C 0.594 176.927 176.300 0.054 0.000 1.092 298 R CA 0.621 56.770 56.100 0.081 0.000 0.989 298 R CB 0.136 30.503 30.300 0.111 0.000 0.876 298 R HN -0.036 nan 8.270 nan 0.000 0.457 299 V N 1.905 121.852 119.914 0.054 0.000 2.472 299 V HA 0.149 4.270 4.120 0.000 0.000 0.290 299 V C -0.190 175.922 176.094 0.030 0.000 1.037 299 V CA -0.756 61.566 62.300 0.036 0.000 0.908 299 V CB 1.742 33.587 31.823 0.036 0.000 0.985 299 V HN 0.245 nan 8.190 nan 0.000 0.454 300 N N 0.000 118.713 118.700 0.022 0.000 1.763 300 N HA 0.000 4.740 4.740 0.000 0.000 0.220 300 N CA 0.000 53.061 53.050 0.018 0.000 0.885 300 N CB 0.000 38.496 38.487 0.015 0.000 1.341 300 N HN 0.000 nan 8.380 nan 0.000 0.667