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 3e6u_1_A DATA FIRST_RESID -9 DATA SEQUENCE HHHHSMDIEF MAQRAFPNPY ADYNKSLAEG YFDAAGRLTP EFSQRLTNKI DATA SEQUENCE RELLQQMERG LKSADPRDGT GYTGWAGIAV LYLHLYDVFG DPAYLQLAHG DATA SEQUENCE YVKQSLNCLT KRSITFLCGD AGPLAVAAVL YHKMNNEKQA EDCITRLIHL DATA SEQUENCE NKIDPHAPNE MLYGRIGYIY ALLFVNKNFG VEKIPQSHIQ QICETILTSG DATA SEQUENCE ENLARKRNFT AKSPLMYEWY QEYYVGAAHG LAGIYYYLMQ PSLQVSQGKL DATA SEQUENCE HSLVKPSVDY VCQLKFPSGN YPPCIGDNRD LLVHWCHGAP GVIYMLIQAY DATA SEQUENCE KVFREEKYLC DAYQCADVIW QYGLLKKGYG LCHGSAGNAY AFLTLYNLTQ DATA SEQUENCE DMKYLYRACK FAEWCLEYGE HGCRTPDTPF SLFEGMAGTI YFLADLLVPT DATA SEQUENCE KARFPAFEL 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 -9 H HA 0.000 nan 4.556 nan 0.000 0.296 -9 H C 0.000 175.417 175.328 0.149 0.000 0.993 -9 H CA 0.000 56.104 56.048 0.093 0.000 1.023 -9 H CB 0.000 29.862 29.762 0.166 0.000 1.292 -8 H N 0.191 119.345 119.070 0.140 0.000 2.260 -8 H HA -0.034 4.522 4.556 -0.000 0.000 0.304 -8 H C 0.624 176.024 175.328 0.120 0.000 1.059 -8 H CA 2.458 58.569 56.048 0.107 0.000 1.305 -8 H CB 0.490 30.256 29.762 0.008 0.000 1.388 -8 H HN 0.722 nan 8.280 nan 0.000 0.496 -7 H N -1.919 116.927 119.070 -0.372 0.000 4.508 -7 H HA -0.146 4.410 4.556 -0.000 0.000 0.162 -7 H C -0.652 174.357 175.328 -0.531 0.000 0.704 -7 H CA 0.366 56.235 56.048 -0.298 0.000 0.904 -7 H CB -1.032 28.756 29.762 0.044 0.000 0.446 -7 H HN 0.489 nan 8.280 nan 0.000 0.797 -6 H N 1.306 120.490 119.070 0.190 0.000 2.569 -6 H HA 0.353 4.909 4.556 -0.000 0.000 0.247 -6 H C -0.442 174.934 175.328 0.079 0.000 1.346 -6 H CA 0.387 56.476 56.048 0.069 0.000 1.502 -6 H CB 0.990 30.770 29.762 0.030 0.000 1.512 -6 H HN 0.363 nan 8.280 nan 0.000 0.502 -5 S N 1.394 117.155 115.700 0.101 0.000 2.525 -5 S HA 0.285 4.755 4.470 -0.000 0.000 0.278 -5 S C 0.983 175.579 174.600 -0.007 0.000 1.234 -5 S CA -0.830 57.396 58.200 0.043 0.000 1.058 -5 S CB 1.664 64.878 63.200 0.023 0.000 0.983 -5 S HN 0.473 nan 8.310 nan 0.000 0.495 -4 M N 1.133 120.707 119.600 -0.043 0.000 2.563 -4 M HA 0.155 4.635 4.480 -0.000 0.000 0.231 -4 M C -0.613 175.606 176.300 -0.135 0.000 1.136 -4 M CA 0.130 55.386 55.300 -0.074 0.000 1.026 -4 M CB -0.244 32.312 32.600 -0.073 0.000 1.597 -4 M HN 0.573 nan 8.290 nan 0.000 0.495 -3 D N 0.962 121.281 120.400 -0.136 0.000 2.619 -3 D HA 0.140 4.780 4.640 -0.000 0.000 0.224 -3 D C 0.652 176.840 176.300 -0.187 0.000 1.133 -3 D CA 0.306 54.187 54.000 -0.199 0.000 1.017 -3 D CB 0.208 40.911 40.800 -0.162 0.000 1.077 -3 D HN 0.344 nan 8.370 nan 0.000 0.503 -2 I N -0.465 119.975 120.570 -0.216 0.000 4.774 -2 I HA 0.009 4.179 4.170 -0.000 0.000 0.330 -2 I C 1.140 177.150 176.117 -0.178 0.000 1.287 -2 I CA 0.056 61.261 61.300 -0.157 0.000 1.311 -2 I CB 0.732 38.671 38.000 -0.101 0.000 1.315 -2 I HN -0.123 nan 8.210 nan 0.000 0.459 -1 E N 1.689 121.721 120.200 -0.280 0.000 2.075 -1 E HA 0.101 4.451 4.350 -0.000 0.000 0.190 -1 E C -0.218 176.329 176.600 -0.087 0.000 0.969 -1 E CA 0.974 57.262 56.400 -0.187 0.000 0.815 -1 E CB 0.210 29.819 29.700 -0.152 0.000 0.776 -1 E HN 0.458 nan 8.360 nan 0.000 0.457 0 F N -2.214 117.654 119.950 -0.136 0.000 2.693 0 F HA 0.296 4.823 4.527 -0.000 0.000 0.309 0 F C 1.125 176.802 175.800 -0.206 0.000 1.129 0 F CA -1.185 56.703 58.000 -0.187 0.000 0.948 0 F CB 0.427 39.315 39.000 -0.186 0.000 1.315 0 F HN -0.237 nan 8.300 nan 0.000 0.447 1 M N 1.228 120.782 119.600 -0.076 0.000 2.279 1 M HA 0.069 4.549 4.480 -0.000 0.000 0.264 1 M C 1.639 177.816 176.300 -0.205 0.000 1.062 1 M CA 2.161 57.338 55.300 -0.205 0.000 1.099 1 M CB -0.874 31.551 32.600 -0.291 0.000 1.394 1 M HN 0.784 nan 8.290 nan 0.000 0.426 2 A N 0.943 123.685 122.820 -0.129 0.000 2.032 2 A HA -0.207 4.113 4.320 -0.000 0.000 0.221 2 A C 2.057 179.675 177.584 0.056 0.000 1.165 2 A CA 1.970 54.075 52.037 0.114 0.000 0.645 2 A CB -0.784 18.415 19.000 0.331 0.000 0.807 2 A HN 0.779 nan 8.150 nan 0.000 0.453 3 Q N -1.029 118.701 119.800 -0.116 0.000 2.172 3 Q HA -0.040 4.300 4.340 -0.000 0.000 0.200 3 Q C 2.066 177.954 176.000 -0.186 0.000 0.964 3 Q CA 1.077 56.752 55.803 -0.213 0.000 0.855 3 Q CB -0.070 28.413 28.738 -0.427 0.000 0.918 3 Q HN 0.609 nan 8.270 nan 0.000 0.444 4 R N -0.200 120.203 120.500 -0.163 0.000 2.299 4 R HA 0.181 4.521 4.340 -0.000 0.000 0.197 4 R C 0.010 176.196 176.300 -0.190 0.000 0.971 4 R CA 0.233 56.245 56.100 -0.148 0.000 1.030 4 R CB 0.436 30.688 30.300 -0.080 0.000 0.932 4 R HN 0.034 nan 8.270 nan 0.000 0.477 5 A N 0.366 123.088 122.820 -0.163 0.000 2.356 5 A HA 0.589 4.909 4.320 -0.000 0.000 0.323 5 A C -0.744 176.665 177.584 -0.292 0.000 1.119 5 A CA -0.736 51.183 52.037 -0.198 0.000 0.790 5 A CB 0.615 19.630 19.000 0.026 0.000 1.273 5 A HN 0.044 nan 8.150 nan 0.000 0.452 6 F N 1.602 121.460 119.950 -0.153 0.000 2.418 6 F HA 0.393 4.920 4.527 -0.000 0.000 0.341 6 F C -1.550 174.107 175.800 -0.238 0.000 1.120 6 F CA -1.756 56.147 58.000 -0.162 0.000 1.232 6 F CB 0.243 39.126 39.000 -0.196 0.000 1.175 6 F HN 0.309 nan 8.300 nan 0.000 0.569 7 P HA -0.049 nan 4.420 nan 0.000 0.271 7 P C -0.584 176.565 177.300 -0.251 0.000 1.226 7 P CA -0.240 62.799 63.100 -0.102 0.000 0.765 7 P CB 0.501 32.178 31.700 -0.039 0.000 0.835 8 N N 5.314 123.787 118.700 -0.377 0.000 2.427 8 N HA 0.012 4.752 4.740 -0.000 0.000 0.269 8 N C -1.286 173.964 175.510 -0.434 0.000 1.235 8 N CA -1.282 51.441 53.050 -0.544 0.000 0.934 8 N CB 0.204 38.262 38.487 -0.715 0.000 1.121 8 N HN 0.301 nan 8.380 nan 0.000 0.480 9 P HA 0.070 nan 4.420 nan 0.000 0.261 9 P C -0.546 176.620 177.300 -0.224 0.000 1.268 9 P CA 0.125 63.031 63.100 -0.324 0.000 0.833 9 P CB -0.016 31.510 31.700 -0.290 0.000 1.231 10 Y N 0.926 121.237 120.300 0.018 0.000 2.319 10 Y HA 0.429 4.979 4.550 -0.000 0.000 0.328 10 Y C 1.405 177.454 175.900 0.248 0.000 1.133 10 Y CA -1.379 56.818 58.100 0.160 0.000 1.265 10 Y CB 0.690 39.289 38.460 0.231 0.000 1.218 10 Y HN -0.060 nan 8.280 nan 0.000 0.508 11 A N 2.571 125.654 122.820 0.439 0.000 2.483 11 A HA 0.040 4.360 4.320 -0.000 0.000 0.238 11 A C -0.153 177.748 177.584 0.530 0.000 1.070 11 A CA -0.370 51.887 52.037 0.367 0.000 0.770 11 A CB 0.134 19.282 19.000 0.246 0.000 1.008 11 A HN 0.799 nan 8.150 nan 0.000 0.497 12 D N -0.747 119.899 120.400 0.411 0.000 2.383 12 D HA 0.263 4.903 4.640 -0.000 0.000 0.248 12 D C -0.058 176.216 176.300 -0.043 0.000 1.170 12 D CA -0.092 54.113 54.000 0.342 0.000 0.977 12 D CB 0.252 41.211 40.800 0.265 0.000 1.120 12 D HN 0.440 nan 8.370 nan 0.000 0.481 13 Y N 1.890 121.897 120.300 -0.488 0.000 2.810 13 Y HA 0.067 4.617 4.550 -0.000 0.000 0.332 13 Y C -0.107 175.478 175.900 -0.524 0.000 1.243 13 Y CA 0.291 57.829 58.100 -0.937 0.000 1.537 13 Y CB -0.045 37.999 38.460 -0.693 0.000 1.265 13 Y HN 0.458 nan 8.280 nan 0.000 0.572 14 N N 2.907 120.868 118.700 -1.233 0.000 2.823 14 N HA 0.209 4.949 4.740 -0.000 0.000 0.251 14 N C -0.430 174.480 175.510 -0.999 0.000 1.392 14 N CA -0.922 51.519 53.050 -1.015 0.000 0.864 14 N CB 1.089 39.302 38.487 -0.457 0.000 1.481 14 N HN 0.403 nan 8.380 nan 0.000 0.508 15 K N 0.246 120.251 120.400 -0.658 0.000 2.044 15 K HA -0.124 4.196 4.320 -0.000 0.000 0.210 15 K C 1.360 177.765 176.600 -0.325 0.000 1.049 15 K CA 1.930 57.966 56.287 -0.419 0.000 0.927 15 K CB -0.555 31.815 32.500 -0.218 0.000 0.713 15 K HN 0.603 nan 8.250 nan 0.000 0.443 16 S N 1.614 117.156 115.700 -0.263 0.000 2.353 16 S HA -0.121 4.349 4.470 -0.000 0.000 0.222 16 S C 2.120 176.614 174.600 -0.176 0.000 1.035 16 S CA 1.286 59.377 58.200 -0.183 0.000 1.025 16 S CB -0.311 62.806 63.200 -0.137 0.000 0.902 16 S HN 0.214 nan 8.310 nan 0.000 0.440 17 L N 0.962 122.064 121.223 -0.201 0.000 2.141 17 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 17 L C 2.736 179.607 176.870 0.002 0.000 1.094 17 L CA 0.966 55.768 54.840 -0.063 0.000 0.763 17 L CB -0.704 41.342 42.059 -0.022 0.000 0.908 17 L HN 0.300 nan 8.230 nan 0.000 0.437 18 A N 0.124 122.795 122.820 -0.248 0.000 1.877 18 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 18 A C 2.137 179.437 177.584 -0.474 0.000 1.186 18 A CA 1.601 53.420 52.037 -0.363 0.000 0.620 18 A CB -0.502 18.204 19.000 -0.489 0.000 0.822 18 A HN 0.405 nan 8.150 nan 0.000 0.443 19 E N -0.918 119.088 120.200 -0.324 0.000 2.149 19 E HA -0.277 4.073 4.350 -0.000 0.000 0.215 19 E C 2.028 178.494 176.600 -0.223 0.000 1.055 19 E CA 1.336 57.597 56.400 -0.232 0.000 0.870 19 E CB -0.528 29.079 29.700 -0.154 0.000 0.764 19 E HN 0.629 nan 8.360 nan 0.000 0.463 20 G N -0.874 107.779 108.800 -0.245 0.000 2.475 20 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 20 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 20 G C 1.000 175.586 174.900 -0.524 0.000 1.125 20 G CA 1.233 46.112 45.100 -0.368 0.000 0.755 20 G HN 0.279 nan 8.290 nan 0.000 0.565 21 Y N -0.456 119.639 120.300 -0.340 0.000 2.441 21 Y HA 0.367 4.917 4.550 -0.000 0.000 0.288 21 Y C 0.508 176.431 175.900 0.038 0.000 1.118 21 Y CA -0.113 57.777 58.100 -0.351 0.000 1.215 21 Y CB 0.277 38.455 38.460 -0.469 0.000 1.118 21 Y HN 0.224 nan 8.280 nan 0.000 0.547 22 F N -1.460 118.567 119.950 0.129 0.000 2.678 22 F HA 0.481 5.008 4.527 -0.000 0.000 0.308 22 F C -1.250 174.602 175.800 0.086 0.000 1.118 22 F CA -2.107 55.961 58.000 0.113 0.000 0.959 22 F CB 0.642 39.710 39.000 0.114 0.000 1.305 22 F HN -0.144 nan 8.300 nan 0.000 0.443 23 D N 1.422 121.995 120.400 0.289 0.000 2.411 23 D HA 0.452 5.092 4.640 -0.000 0.000 0.251 23 D C 1.194 177.666 176.300 0.288 0.000 1.201 23 D CA -0.194 53.922 54.000 0.192 0.000 0.996 23 D CB 0.777 41.656 40.800 0.132 0.000 1.101 23 D HN 0.845 nan 8.370 nan 0.000 0.504 24 A N -0.078 122.857 122.820 0.191 0.000 2.076 24 A HA 0.002 4.322 4.320 -0.000 0.000 0.220 24 A C 2.028 179.723 177.584 0.184 0.000 1.160 24 A CA 1.941 54.095 52.037 0.194 0.000 0.653 24 A CB -1.204 17.869 19.000 0.122 0.000 0.801 24 A HN 0.702 nan 8.150 nan 0.000 0.455 25 A N -1.473 121.442 122.820 0.158 0.000 2.238 25 A HA 0.408 4.728 4.320 -0.000 0.000 0.208 25 A C 1.726 179.390 177.584 0.132 0.000 1.177 25 A CA 1.072 53.183 52.037 0.123 0.000 0.804 25 A CB -1.105 17.953 19.000 0.096 0.000 0.823 25 A HN 1.887 nan 8.150 nan 0.000 0.482 26 G N -0.441 108.466 108.800 0.179 0.000 2.249 26 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.273 26 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.273 26 G C 0.210 175.150 174.900 0.068 0.000 1.036 26 G CA 0.528 45.666 45.100 0.064 0.000 0.824 26 G HN 0.782 nan 8.290 nan 0.000 0.504 27 R N -0.359 120.234 120.500 0.155 0.000 2.404 27 R HA 0.588 4.928 4.340 -0.000 0.000 0.291 27 R C 0.762 177.201 176.300 0.232 0.000 1.025 27 R CA -0.916 55.270 56.100 0.144 0.000 0.991 27 R CB 0.348 30.715 30.300 0.112 0.000 1.053 27 R HN 0.223 nan 8.270 nan 0.000 0.479 28 L N 3.693 125.044 121.223 0.214 0.000 2.410 28 L HA 0.113 4.453 4.340 -0.000 0.000 0.273 28 L C 0.896 177.915 176.870 0.249 0.000 1.152 28 L CA -0.268 54.766 54.840 0.323 0.000 0.855 28 L CB 0.879 43.134 42.059 0.327 0.000 1.129 28 L HN 0.786 nan 8.230 nan 0.000 0.463 29 T N 0.351 115.062 114.554 0.261 0.000 2.934 29 T HA 0.045 4.395 4.350 -0.000 0.000 0.306 29 T C -1.756 173.036 174.700 0.154 0.000 1.042 29 T CA -1.200 60.996 62.100 0.161 0.000 1.145 29 T CB 0.785 69.711 68.868 0.097 0.000 0.982 29 T HN 0.400 nan 8.240 nan 0.000 0.544 30 P HA -0.135 nan 4.420 nan 0.000 0.216 30 P C 1.671 179.009 177.300 0.063 0.000 1.150 30 P CA 0.755 63.894 63.100 0.065 0.000 0.843 30 P CB 0.079 31.805 31.700 0.044 0.000 0.787 31 E N -0.945 119.296 120.200 0.068 0.000 2.021 31 E HA -0.231 4.119 4.350 -0.000 0.000 0.200 31 E C 1.866 178.536 176.600 0.117 0.000 1.015 31 E CA 1.441 57.880 56.400 0.065 0.000 0.824 31 E CB -0.888 28.836 29.700 0.040 0.000 0.762 31 E HN 0.110 nan 8.360 nan 0.000 0.454 32 F N 1.719 121.656 119.950 -0.021 0.000 2.095 32 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 32 F C 2.665 178.489 175.800 0.039 0.000 1.104 32 F CA 1.911 59.915 58.000 0.006 0.000 1.232 32 F CB -0.761 38.258 39.000 0.033 0.000 0.987 32 F HN -0.034 nan 8.300 nan 0.000 0.475 33 S N -0.175 115.483 115.700 -0.071 0.000 2.370 33 S HA -0.324 4.146 4.470 -0.000 0.000 0.226 33 S C 1.859 176.390 174.600 -0.115 0.000 1.033 33 S CA 1.448 59.553 58.200 -0.159 0.000 1.011 33 S CB -0.590 62.590 63.200 -0.032 0.000 0.852 33 S HN 0.498 nan 8.310 nan 0.000 0.457 34 Q N 1.528 121.303 119.800 -0.042 0.000 2.112 34 Q HA -0.093 4.247 4.340 -0.000 0.000 0.206 34 Q C 2.169 178.139 176.000 -0.049 0.000 0.987 34 Q CA 1.562 57.349 55.803 -0.027 0.000 0.858 34 Q CB -0.153 28.584 28.738 -0.001 0.000 0.905 34 Q HN 0.429 nan 8.270 nan 0.000 0.420 35 R N -0.428 120.037 120.500 -0.059 0.000 2.073 35 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 35 R C 2.428 178.665 176.300 -0.106 0.000 1.134 35 R CA 1.450 57.519 56.100 -0.052 0.000 0.952 35 R CB -0.556 29.753 30.300 0.015 0.000 0.850 35 R HN 0.334 nan 8.270 nan 0.000 0.433 36 L N 0.094 121.183 121.223 -0.224 0.000 1.989 36 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 36 L C 2.506 179.317 176.870 -0.098 0.000 1.071 36 L CA 1.686 56.395 54.840 -0.219 0.000 0.749 36 L CB -0.899 40.940 42.059 -0.367 0.000 0.890 36 L HN 0.217 nan 8.230 nan 0.000 0.431 37 T N -0.510 114.008 114.554 -0.060 0.000 2.720 37 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 37 T C 1.745 176.403 174.700 -0.069 0.000 1.037 37 T CA 1.441 63.536 62.100 -0.008 0.000 1.144 37 T CB -0.293 68.596 68.868 0.034 0.000 0.864 37 T HN 0.273 nan 8.240 nan 0.000 0.444 38 N N 0.831 119.493 118.700 -0.063 0.000 2.104 38 N HA -0.071 4.669 4.740 -0.000 0.000 0.190 38 N C 1.885 177.358 175.510 -0.062 0.000 1.024 38 N CA 1.122 54.135 53.050 -0.061 0.000 0.853 38 N CB -0.284 38.176 38.487 -0.044 0.000 1.008 38 N HN 0.248 nan 8.380 nan 0.000 0.424 39 K N 1.161 121.526 120.400 -0.058 0.000 2.026 39 K HA 0.071 4.391 4.320 -0.000 0.000 0.208 39 K C 1.991 178.548 176.600 -0.071 0.000 1.048 39 K CA 0.713 56.965 56.287 -0.059 0.000 0.929 39 K CB -0.436 32.038 32.500 -0.043 0.000 0.713 39 K HN 0.115 nan 8.250 nan 0.000 0.439 40 I N 0.410 120.941 120.570 -0.063 0.000 2.118 40 I HA -0.370 3.800 4.170 -0.000 0.000 0.241 40 I C 2.460 178.526 176.117 -0.084 0.000 1.070 40 I CA 1.555 62.818 61.300 -0.063 0.000 1.327 40 I CB -0.261 37.731 38.000 -0.014 0.000 1.034 40 I HN 0.168 nan 8.210 nan 0.000 0.405 41 R N 0.323 120.763 120.500 -0.099 0.000 2.091 41 R HA -0.258 4.082 4.340 -0.000 0.000 0.238 41 R C 2.260 178.529 176.300 -0.052 0.000 1.136 41 R CA 2.120 58.171 56.100 -0.082 0.000 0.959 41 R CB -0.260 29.982 30.300 -0.096 0.000 0.856 41 R HN 0.535 nan 8.270 nan 0.000 0.437 42 E N 0.608 120.771 120.200 -0.062 0.000 2.060 42 E HA -0.086 4.264 4.350 -0.000 0.000 0.189 42 E C 1.917 178.474 176.600 -0.072 0.000 0.974 42 E CA 0.747 57.112 56.400 -0.058 0.000 0.808 42 E CB -0.546 29.120 29.700 -0.058 0.000 0.768 42 E HN 0.198 nan 8.360 nan 0.000 0.453 43 L N 0.637 121.798 121.223 -0.104 0.000 2.021 43 L HA -0.229 4.111 4.340 -0.000 0.000 0.215 43 L C 2.707 179.524 176.870 -0.089 0.000 1.074 43 L CA 1.532 56.286 54.840 -0.144 0.000 0.760 43 L CB -0.711 41.222 42.059 -0.209 0.000 0.889 43 L HN 0.254 nan 8.230 nan 0.000 0.433 44 L N -0.646 120.540 121.223 -0.061 0.000 2.051 44 L HA -0.318 4.022 4.340 -0.000 0.000 0.214 44 L C 2.838 179.717 176.870 0.016 0.000 1.076 44 L CA 1.548 56.383 54.840 -0.009 0.000 0.758 44 L CB -0.670 41.412 42.059 0.039 0.000 0.890 44 L HN 0.422 nan 8.230 nan 0.000 0.433 45 Q N -0.472 119.327 119.800 -0.002 0.000 2.050 45 Q HA -0.261 4.079 4.340 -0.000 0.000 0.202 45 Q C 2.224 178.204 176.000 -0.034 0.000 0.980 45 Q CA 1.568 57.367 55.803 -0.006 0.000 0.840 45 Q CB -0.306 28.424 28.738 -0.014 0.000 0.898 45 Q HN 0.636 nan 8.270 nan 0.000 0.424 46 Q N 0.379 120.154 119.800 -0.043 0.000 2.061 46 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 46 Q C 2.146 178.066 176.000 -0.132 0.000 0.984 46 Q CA 1.379 57.157 55.803 -0.042 0.000 0.846 46 Q CB -0.235 28.501 28.738 -0.004 0.000 0.902 46 Q HN 0.420 nan 8.270 nan 0.000 0.421 47 M N 0.653 120.197 119.600 -0.094 0.000 2.059 47 M HA -0.230 4.250 4.480 -0.000 0.000 0.259 47 M C 1.973 178.128 176.300 -0.242 0.000 1.072 47 M CA 1.707 56.911 55.300 -0.161 0.000 1.117 47 M CB -0.043 32.547 32.600 -0.017 0.000 1.320 47 M HN 0.023 nan 8.290 nan 0.000 0.408 48 E N 0.397 120.568 120.200 -0.047 0.000 2.114 48 E HA -0.261 4.089 4.350 -0.000 0.000 0.199 48 E C 1.989 178.559 176.600 -0.050 0.000 1.008 48 E CA 1.814 58.241 56.400 0.045 0.000 0.810 48 E CB -0.283 29.481 29.700 0.107 0.000 0.739 48 E HN 0.427 nan 8.360 nan 0.000 0.456 49 R N -0.914 119.511 120.500 -0.124 0.000 2.061 49 R HA -0.085 4.255 4.340 -0.000 0.000 0.230 49 R C 2.383 178.526 176.300 -0.262 0.000 1.140 49 R CA 1.567 57.585 56.100 -0.138 0.000 0.940 49 R CB -0.798 29.441 30.300 -0.102 0.000 0.839 49 R HN 0.311 nan 8.270 nan 0.000 0.429 50 G N 1.374 109.802 108.800 -0.621 0.000 2.476 50 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 50 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 50 G C 1.494 176.011 174.900 -0.639 0.000 1.164 50 G CA 0.861 45.283 45.100 -1.129 0.000 0.768 50 G HN 0.274 nan 8.290 nan 0.000 0.560 51 L N -0.304 120.633 121.223 -0.478 0.000 2.263 51 L HA -0.115 4.225 4.340 -0.000 0.000 0.216 51 L C 2.739 179.728 176.870 0.198 0.000 1.111 51 L CA 1.016 55.865 54.840 0.014 0.000 0.773 51 L CB -0.231 41.940 42.059 0.186 0.000 0.906 51 L HN 0.139 nan 8.230 nan 0.000 0.439 52 K N -0.489 119.956 120.400 0.076 0.000 2.442 52 K HA -0.078 4.242 4.320 -0.000 0.000 0.198 52 K C 1.820 178.494 176.600 0.123 0.000 1.044 52 K CA 0.851 57.199 56.287 0.102 0.000 0.948 52 K CB 0.004 32.526 32.500 0.036 0.000 0.762 52 K HN 0.160 nan 8.250 nan 0.000 0.472 53 S N -0.496 115.274 115.700 0.116 0.000 2.526 53 S HA 0.302 4.772 4.470 -0.000 0.000 0.220 53 S C 0.381 175.074 174.600 0.155 0.000 1.017 53 S CA -0.177 58.102 58.200 0.131 0.000 0.930 53 S CB 0.580 63.852 63.200 0.121 0.000 0.856 53 S HN 0.341 nan 8.310 nan 0.000 0.497 54 A N 2.394 125.316 122.820 0.171 0.000 2.547 54 A HA 0.130 4.450 4.320 -0.000 0.000 0.233 54 A C 0.189 177.819 177.584 0.077 0.000 1.067 54 A CA -0.067 52.005 52.037 0.059 0.000 0.763 54 A CB -0.136 18.765 19.000 -0.166 0.000 1.007 54 A HN 0.257 nan 8.150 nan 0.000 0.506 55 D N 2.164 122.548 120.400 -0.026 0.000 2.451 55 D HA 0.101 4.741 4.640 -0.000 0.000 0.254 55 D C -1.064 175.315 176.300 0.131 0.000 1.204 55 D CA -1.328 52.690 54.000 0.031 0.000 0.896 55 D CB 0.725 41.511 40.800 -0.023 0.000 1.136 55 D HN 0.206 nan 8.370 nan 0.000 0.499 56 P HA -0.140 nan 4.420 nan 0.000 0.219 56 P C 1.000 178.576 177.300 0.460 0.000 1.146 56 P CA 0.717 64.123 63.100 0.510 0.000 0.808 56 P CB 0.352 32.225 31.700 0.288 0.000 0.779 57 R N -0.255 120.380 120.500 0.224 0.000 2.153 57 R HA 0.034 4.374 4.340 -0.000 0.000 0.218 57 R C 0.683 177.054 176.300 0.119 0.000 1.072 57 R CA 0.461 56.658 56.100 0.160 0.000 0.990 57 R CB -1.228 29.129 30.300 0.095 0.000 0.889 57 R HN 0.244 nan 8.270 nan 0.000 0.452 58 D N 0.347 120.754 120.400 0.012 0.000 2.365 58 D HA 0.138 4.778 4.640 -0.000 0.000 0.237 58 D C 0.559 176.755 176.300 -0.173 0.000 1.190 58 D CA -0.050 53.898 54.000 -0.087 0.000 0.867 58 D CB 0.911 41.614 40.800 -0.163 0.000 1.050 58 D HN 0.201 nan 8.370 nan 0.000 0.491 59 G N 2.690 111.499 108.800 0.016 0.000 3.453 59 G HA2 0.051 4.011 3.960 -0.000 0.000 0.263 59 G HA3 0.051 4.011 3.960 -0.000 0.000 0.263 59 G C 0.794 175.713 174.900 0.032 0.000 1.060 59 G CA -0.013 45.164 45.100 0.128 0.000 0.793 59 G HN 0.536 nan 8.290 nan 0.000 0.532 60 T N -2.530 111.999 114.554 -0.041 0.000 2.698 60 T HA 0.457 4.807 4.350 -0.000 0.000 0.295 60 T C 1.683 176.330 174.700 -0.088 0.000 1.007 60 T CA 0.326 62.388 62.100 -0.063 0.000 0.980 60 T CB 1.523 70.362 68.868 -0.048 0.000 1.036 60 T HN 0.024 nan 8.240 nan 0.000 0.526 61 G N -1.143 107.581 108.800 -0.127 0.000 2.508 61 G HA2 0.038 3.998 3.960 -0.000 0.000 0.212 61 G HA3 0.038 3.998 3.960 -0.000 0.000 0.212 61 G C 0.107 174.957 174.900 -0.083 0.000 1.206 61 G CA -0.358 44.664 45.100 -0.130 0.000 0.822 61 G HN 0.767 nan 8.290 nan 0.000 0.550 62 Y N 2.766 122.884 120.300 -0.304 0.000 2.865 62 Y HA 0.107 4.657 4.550 -0.000 0.000 0.338 62 Y C 1.997 177.804 175.900 -0.154 0.000 1.269 62 Y CA 1.450 59.374 58.100 -0.294 0.000 1.585 62 Y CB 0.316 38.546 38.460 -0.383 0.000 1.224 62 Y HN 0.745 nan 8.280 nan 0.000 0.554 63 T N 0.128 114.611 114.554 -0.118 0.000 12.380 63 T HA -0.287 4.063 4.350 -0.000 0.000 0.415 63 T C 0.863 175.465 174.700 -0.163 0.000 1.471 63 T CA 1.053 63.100 62.100 -0.088 0.000 2.420 63 T CB -2.047 66.842 68.868 0.036 0.000 2.818 63 T HN 1.285 nan 8.240 nan 0.000 0.798 64 G N -0.478 108.225 108.800 -0.162 0.000 2.508 64 G HA2 0.488 4.448 3.960 -0.000 0.000 0.278 64 G HA3 0.488 4.448 3.960 -0.000 0.000 0.278 64 G C 0.538 175.281 174.900 -0.261 0.000 1.389 64 G CA -0.129 44.790 45.100 -0.302 0.000 1.050 64 G HN 0.548 nan 8.290 nan 0.000 0.522 65 W N -0.274 121.024 121.300 -0.003 0.000 2.333 65 W HA -0.033 4.627 4.660 -0.000 0.000 0.316 65 W C 2.937 179.446 176.519 -0.017 0.000 1.215 65 W CA 1.010 58.354 57.345 -0.002 0.000 1.278 65 W CB -0.363 29.145 29.460 0.081 0.000 1.154 65 W HN 0.486 nan 8.180 nan 0.000 0.486 66 A N 1.044 123.976 122.820 0.187 0.000 1.986 66 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 66 A C 2.192 179.795 177.584 0.032 0.000 1.171 66 A CA 2.127 54.203 52.037 0.064 0.000 0.640 66 A CB -1.568 17.384 19.000 -0.079 0.000 0.811 66 A HN 0.373 nan 8.150 nan 0.000 0.451 67 G N 0.179 108.982 108.800 0.005 0.000 2.418 67 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 67 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 67 G C 1.382 176.304 174.900 0.037 0.000 1.158 67 G CA 1.154 46.262 45.100 0.013 0.000 0.771 67 G HN 0.428 nan 8.290 nan 0.000 0.545 68 I N 1.862 122.433 120.570 0.002 0.000 2.202 68 I HA -0.085 4.085 4.170 -0.000 0.000 0.242 68 I C 3.286 179.469 176.117 0.111 0.000 1.091 68 I CA 1.162 62.421 61.300 -0.069 0.000 1.368 68 I CB -1.598 36.190 38.000 -0.353 0.000 1.058 68 I HN 0.249 nan 8.210 nan 0.000 0.410 69 A N 1.452 124.404 122.820 0.220 0.000 1.903 69 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 69 A C 2.597 180.363 177.584 0.305 0.000 1.191 69 A CA 2.482 54.713 52.037 0.323 0.000 0.638 69 A CB -1.181 17.971 19.000 0.253 0.000 0.823 69 A HN 0.253 nan 8.150 nan 0.000 0.451 70 V N -0.034 120.029 119.914 0.249 0.000 2.252 70 V HA -0.309 3.811 4.120 -0.000 0.000 0.249 70 V C 2.564 178.888 176.094 0.384 0.000 1.056 70 V CA 2.280 64.779 62.300 0.332 0.000 1.022 70 V CB -1.023 30.966 31.823 0.278 0.000 0.641 70 V HN 0.692 nan 8.190 nan 0.000 0.445 71 L N -0.694 120.699 121.223 0.284 0.000 2.012 71 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 71 L C 2.301 179.222 176.870 0.085 0.000 1.073 71 L CA 2.112 57.080 54.840 0.213 0.000 0.748 71 L CB -0.782 41.279 42.059 0.003 0.000 0.891 71 L HN 0.349 nan 8.230 nan 0.000 0.431 72 Y N -0.502 119.895 120.300 0.160 0.000 2.145 72 Y HA -0.243 4.307 4.550 -0.000 0.000 0.286 72 Y C 2.403 178.413 175.900 0.185 0.000 1.145 72 Y CA 1.639 59.813 58.100 0.123 0.000 1.148 72 Y CB -0.252 38.328 38.460 0.200 0.000 0.981 72 Y HN 0.172 nan 8.280 nan 0.000 0.507 73 L N -0.734 120.731 121.223 0.404 0.000 2.081 73 L HA -0.339 4.001 4.340 -0.000 0.000 0.212 73 L C 2.583 179.661 176.870 0.347 0.000 1.080 73 L CA 1.897 56.960 54.840 0.371 0.000 0.754 73 L CB -0.777 41.505 42.059 0.372 0.000 0.893 73 L HN 0.454 nan 8.230 nan 0.000 0.433 74 H N -0.347 118.825 119.070 0.170 0.000 2.357 74 H HA -0.146 4.410 4.556 -0.000 0.000 0.301 74 H C 2.256 177.543 175.328 -0.069 0.000 1.082 74 H CA 1.325 57.375 56.048 0.004 0.000 1.342 74 H CB 0.228 29.851 29.762 -0.231 0.000 1.389 74 H HN 0.147 nan 8.280 nan 0.000 0.511 75 L N 0.859 121.934 121.223 -0.247 0.000 2.012 75 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 75 L C 2.620 179.577 176.870 0.144 0.000 1.073 75 L CA 1.899 56.612 54.840 -0.211 0.000 0.748 75 L CB -1.622 40.235 42.059 -0.336 0.000 0.891 75 L HN 0.370 nan 8.230 nan 0.000 0.431 76 Y N 0.206 120.634 120.300 0.213 0.000 2.241 76 Y HA -0.305 4.245 4.550 -0.000 0.000 0.286 76 Y C 2.194 178.158 175.900 0.106 0.000 1.166 76 Y CA 1.866 60.134 58.100 0.279 0.000 1.203 76 Y CB -0.022 38.586 38.460 0.246 0.000 0.977 76 Y HN 0.278 nan 8.280 nan 0.000 0.529 77 D N -0.724 119.653 120.400 -0.038 0.000 2.162 77 D HA -0.142 4.498 4.640 -0.000 0.000 0.203 77 D C 2.358 178.497 176.300 -0.269 0.000 0.967 77 D CA 1.595 55.490 54.000 -0.175 0.000 0.840 77 D CB -0.298 40.474 40.800 -0.046 0.000 0.972 77 D HN 0.428 nan 8.370 nan 0.000 0.482 78 V N -1.905 117.771 119.914 -0.397 0.000 2.649 78 V HA 0.020 4.140 4.120 -0.000 0.000 0.248 78 V C 1.648 177.407 176.094 -0.559 0.000 1.054 78 V CA 1.094 63.055 62.300 -0.565 0.000 1.073 78 V CB -0.690 30.631 31.823 -0.838 0.000 0.699 78 V HN 0.014 nan 8.190 nan 0.000 0.463 79 F N 1.385 121.289 119.950 -0.077 0.000 2.717 79 F HA 0.578 5.105 4.527 -0.000 0.000 0.295 79 F C 2.151 177.919 175.800 -0.054 0.000 1.117 79 F CA 0.649 58.646 58.000 -0.005 0.000 1.361 79 F CB 0.264 39.363 39.000 0.165 0.000 1.112 79 F HN 0.362 nan 8.300 nan 0.000 0.594 80 G N 0.365 109.151 108.800 -0.023 0.000 2.189 80 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.267 80 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.267 80 G C 0.104 174.974 174.900 -0.050 0.000 0.975 80 G CA 0.442 45.424 45.100 -0.198 0.000 0.644 80 G HN 0.357 nan 8.290 nan 0.000 0.537 81 D N 1.189 121.642 120.400 0.088 0.000 2.358 81 D HA 0.288 4.928 4.640 -0.000 0.000 0.258 81 D C -0.012 176.355 176.300 0.112 0.000 1.223 81 D CA -1.668 52.310 54.000 -0.037 0.000 0.886 81 D CB 1.143 41.700 40.800 -0.404 0.000 1.120 81 D HN 0.179 nan 8.370 nan 0.000 0.482 82 P HA -0.172 nan 4.420 nan 0.000 0.218 82 P C 1.034 178.315 177.300 -0.031 0.000 1.146 82 P CA 1.121 64.289 63.100 0.112 0.000 0.813 82 P CB 0.099 31.818 31.700 0.031 0.000 0.778 83 A N -0.782 121.955 122.820 -0.138 0.000 1.940 83 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 83 A C 2.128 179.658 177.584 -0.090 0.000 1.176 83 A CA 1.406 53.341 52.037 -0.169 0.000 0.631 83 A CB -1.754 17.098 19.000 -0.247 0.000 0.814 83 A HN 0.075 nan 8.150 nan 0.000 0.446 84 Y N -0.838 119.474 120.300 0.020 0.000 2.181 84 Y HA -0.144 4.406 4.550 -0.000 0.000 0.288 84 Y C 2.207 178.078 175.900 -0.049 0.000 1.146 84 Y CA 0.851 58.979 58.100 0.048 0.000 1.164 84 Y CB -1.166 37.499 38.460 0.341 0.000 0.982 84 Y HN 0.313 nan 8.280 nan 0.000 0.515 85 L N 0.013 121.225 121.223 -0.019 0.000 2.083 85 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 85 L C 2.129 178.903 176.870 -0.159 0.000 1.083 85 L CA 1.756 56.412 54.840 -0.306 0.000 0.752 85 L CB -0.565 41.002 42.059 -0.820 0.000 0.899 85 L HN 0.113 nan 8.230 nan 0.000 0.433 86 Q N -1.006 118.711 119.800 -0.138 0.000 2.083 86 Q HA -0.079 4.261 4.340 -0.000 0.000 0.198 86 Q C 2.215 178.134 176.000 -0.135 0.000 0.969 86 Q CA 1.030 56.764 55.803 -0.115 0.000 0.838 86 Q CB -0.502 28.162 28.738 -0.122 0.000 0.900 86 Q HN 0.354 nan 8.270 nan 0.000 0.436 87 L N 0.611 121.693 121.223 -0.235 0.000 1.989 87 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 87 L C 2.342 179.101 176.870 -0.185 0.000 1.071 87 L CA 2.099 56.698 54.840 -0.402 0.000 0.749 87 L CB -1.838 39.671 42.059 -0.916 0.000 0.890 87 L HN 0.146 nan 8.230 nan 0.000 0.431 88 A N -1.294 121.524 122.820 -0.004 0.000 1.903 88 A HA -0.315 4.005 4.320 -0.000 0.000 0.219 88 A C 2.353 179.992 177.584 0.093 0.000 1.191 88 A CA 2.081 54.237 52.037 0.198 0.000 0.638 88 A CB -1.079 18.048 19.000 0.211 0.000 0.823 88 A HN 0.648 nan 8.150 nan 0.000 0.451 89 H N -0.541 118.476 119.070 -0.089 0.000 2.289 89 H HA -0.159 4.397 4.556 -0.000 0.000 0.296 89 H C 2.359 177.602 175.328 -0.142 0.000 1.091 89 H CA 1.980 57.948 56.048 -0.134 0.000 1.274 89 H CB -0.511 29.169 29.762 -0.137 0.000 1.364 89 H HN 0.427 nan 8.280 nan 0.000 0.490 90 G N -0.540 108.103 108.800 -0.262 0.000 2.440 90 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 90 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 90 G C 1.299 175.937 174.900 -0.436 0.000 1.154 90 G CA 1.044 45.893 45.100 -0.418 0.000 0.767 90 G HN 0.420 nan 8.290 nan 0.000 0.552 91 Y N 0.226 120.437 120.300 -0.147 0.000 2.184 91 Y HA 0.007 4.557 4.550 -0.000 0.000 0.290 91 Y C 3.027 178.875 175.900 -0.087 0.000 1.129 91 Y CA 0.317 58.358 58.100 -0.098 0.000 1.144 91 Y CB -0.909 37.618 38.460 0.112 0.000 0.995 91 Y HN 0.023 nan 8.280 nan 0.000 0.513 92 V N 0.442 120.393 119.914 0.062 0.000 2.250 92 V HA -0.407 3.713 4.120 -0.000 0.000 0.250 92 V C 2.281 178.321 176.094 -0.090 0.000 1.060 92 V CA 2.272 64.557 62.300 -0.024 0.000 1.030 92 V CB -0.577 31.173 31.823 -0.121 0.000 0.643 92 V HN 0.371 nan 8.190 nan 0.000 0.445 93 K N -0.816 119.454 120.400 -0.216 0.000 2.044 93 K HA -0.262 4.058 4.320 -0.000 0.000 0.210 93 K C 2.298 178.814 176.600 -0.140 0.000 1.049 93 K CA 1.967 58.137 56.287 -0.194 0.000 0.927 93 K CB -0.253 32.066 32.500 -0.301 0.000 0.713 93 K HN 0.562 nan 8.250 nan 0.000 0.443 94 Q N -0.001 119.672 119.800 -0.211 0.000 2.061 94 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 94 Q C 2.278 178.245 176.000 -0.055 0.000 0.984 94 Q CA 1.927 57.566 55.803 -0.273 0.000 0.846 94 Q CB -0.213 28.079 28.738 -0.742 0.000 0.902 94 Q HN 0.389 nan 8.270 nan 0.000 0.421 95 S N 0.518 116.259 115.700 0.068 0.000 2.440 95 S HA -0.106 4.364 4.470 -0.000 0.000 0.238 95 S C 1.868 176.534 174.600 0.109 0.000 1.010 95 S CA 0.741 59.060 58.200 0.199 0.000 0.972 95 S CB -0.315 63.002 63.200 0.195 0.000 0.774 95 S HN 0.312 nan 8.310 nan 0.000 0.501 96 L N 0.818 122.076 121.223 0.058 0.000 2.291 96 L HA 0.086 4.426 4.340 -0.000 0.000 0.214 96 L C 1.183 178.086 176.870 0.055 0.000 1.120 96 L CA 0.797 55.672 54.840 0.057 0.000 0.799 96 L CB -0.560 41.535 42.059 0.060 0.000 0.925 96 L HN 0.325 nan 8.230 nan 0.000 0.446 97 N N -1.664 117.066 118.700 0.049 0.000 2.362 97 N HA 0.005 4.745 4.740 -0.000 0.000 0.204 97 N C 0.593 176.151 175.510 0.080 0.000 1.166 97 N CA 0.213 53.294 53.050 0.052 0.000 0.831 97 N CB 0.096 38.601 38.487 0.030 0.000 1.008 97 N HN 0.177 nan 8.380 nan 0.000 0.472 98 C N 0.074 119.433 119.300 0.099 0.000 3.255 98 C HA 0.314 4.774 4.460 -0.000 0.000 0.282 98 C C 0.489 175.525 174.990 0.077 0.000 1.441 98 C CA -0.869 58.214 59.018 0.108 0.000 1.785 98 C CB -1.038 26.799 27.740 0.163 0.000 2.583 98 C HN 0.361 nan 8.230 nan 0.000 0.615 99 L N 1.859 123.120 121.223 0.064 0.000 2.485 99 L HA 0.208 4.548 4.340 -0.000 0.000 0.275 99 L C 1.388 178.286 176.870 0.047 0.000 1.207 99 L CA 0.890 55.761 54.840 0.052 0.000 0.855 99 L CB 0.580 42.668 42.059 0.049 0.000 1.114 99 L HN 0.408 nan 8.230 nan 0.000 0.485 100 T N -2.691 111.889 114.554 0.044 0.000 3.130 100 T HA 0.072 4.422 4.350 -0.000 0.000 0.288 100 T C 0.584 175.306 174.700 0.037 0.000 0.936 100 T CA -0.541 61.582 62.100 0.040 0.000 0.897 100 T CB 0.222 69.114 68.868 0.040 0.000 1.178 100 T HN 0.569 nan 8.240 nan 0.000 0.543 101 K N 1.204 121.627 120.400 0.039 0.000 2.971 101 K HA -0.273 4.047 4.320 -0.000 0.000 0.265 101 K C 1.023 177.644 176.600 0.034 0.000 1.052 101 K CA 0.793 57.102 56.287 0.037 0.000 0.780 101 K CB -1.607 30.913 32.500 0.034 0.000 1.214 101 K HN 0.527 nan 8.250 nan 0.000 0.478 102 R N 0.424 120.948 120.500 0.039 0.000 2.057 102 R HA 0.051 4.391 4.340 -0.000 0.000 0.224 102 R C 1.183 177.514 176.300 0.052 0.000 1.136 102 R CA 1.053 57.177 56.100 0.040 0.000 0.968 102 R CB 0.174 30.500 30.300 0.043 0.000 0.863 102 R HN 0.214 nan 8.270 nan 0.000 0.433 103 S N -0.373 115.366 115.700 0.065 0.000 2.600 103 S HA 0.297 4.767 4.470 -0.000 0.000 0.300 103 S C 0.679 175.316 174.600 0.062 0.000 1.087 103 S CA -0.840 57.412 58.200 0.088 0.000 0.965 103 S CB 1.472 64.763 63.200 0.152 0.000 1.089 103 S HN 0.277 nan 8.310 nan 0.000 0.496 104 I N 0.952 121.554 120.570 0.053 0.000 3.883 104 I HA 0.270 4.440 4.170 -0.000 0.000 0.326 104 I C 0.886 177.119 176.117 0.192 0.000 1.283 104 I CA -0.339 60.986 61.300 0.042 0.000 1.161 104 I CB -0.561 37.334 38.000 -0.176 0.000 1.012 104 I HN 0.547 nan 8.210 nan 0.000 0.421 105 T N -2.497 112.129 114.554 0.120 0.000 2.874 105 T HA 0.258 4.608 4.350 -0.000 0.000 0.281 105 T C 0.605 175.377 174.700 0.119 0.000 0.994 105 T CA -0.443 61.726 62.100 0.115 0.000 1.015 105 T CB 1.496 70.336 68.868 -0.047 0.000 1.028 105 T HN 0.201 nan 8.240 nan 0.000 0.523 106 F N 0.632 120.573 119.950 -0.015 0.000 2.084 106 F HA 0.071 4.598 4.527 -0.000 0.000 0.296 106 F C 1.859 177.572 175.800 -0.145 0.000 1.111 106 F CA 1.205 59.174 58.000 -0.052 0.000 1.224 106 F CB -0.420 38.575 39.000 -0.009 0.000 0.991 106 F HN 0.433 nan 8.300 nan 0.000 0.471 107 L N -0.622 120.605 121.223 0.007 0.000 2.056 107 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 107 L C 1.952 178.699 176.870 -0.205 0.000 1.078 107 L CA 1.464 56.201 54.840 -0.171 0.000 0.749 107 L CB -0.774 41.074 42.059 -0.351 0.000 0.901 107 L HN 0.270 nan 8.230 nan 0.000 0.433 108 C N -1.609 117.541 119.300 -0.250 0.000 3.491 108 C HA 0.628 5.088 4.460 -0.000 0.000 0.298 108 C C 1.178 176.119 174.990 -0.082 0.000 1.424 108 C CA -0.493 58.397 59.018 -0.213 0.000 1.772 108 C CB -0.899 26.593 27.740 -0.413 0.000 2.447 108 C HN 0.432 nan 8.230 nan 0.000 0.670 109 G N 0.251 109.017 108.800 -0.057 0.000 2.887 109 G HA2 0.423 4.383 3.960 -0.000 0.000 0.277 109 G HA3 0.423 4.383 3.960 -0.000 0.000 0.277 109 G C -0.292 174.607 174.900 -0.002 0.000 1.346 109 G CA -0.055 45.049 45.100 0.008 0.000 1.058 109 G HN 0.079 nan 8.290 nan 0.000 0.535 110 D N -0.216 120.204 120.400 0.033 0.000 2.348 110 D HA 0.045 4.685 4.640 -0.000 0.000 0.216 110 D C 2.403 178.723 176.300 0.033 0.000 0.970 110 D CA 0.963 54.983 54.000 0.033 0.000 0.889 110 D CB 0.090 40.923 40.800 0.054 0.000 0.912 110 D HN 0.337 nan 8.370 nan 0.000 0.524 111 A N 0.589 123.449 122.820 0.066 0.000 2.015 111 A HA 0.067 4.387 4.320 -0.000 0.000 0.219 111 A C 2.272 179.798 177.584 -0.097 0.000 1.163 111 A CA 1.612 53.705 52.037 0.094 0.000 0.646 111 A CB -0.880 18.269 19.000 0.249 0.000 0.806 111 A HN 0.278 nan 8.150 nan 0.000 0.448 112 G N 0.682 109.317 108.800 -0.275 0.000 2.639 112 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 112 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 112 G C -0.223 174.439 174.900 -0.396 0.000 1.267 112 G CA 1.389 46.095 45.100 -0.657 0.000 0.801 112 G HN 0.467 nan 8.290 nan 0.000 0.592 113 P HA -0.077 nan 4.420 nan 0.000 0.216 113 P C 2.025 179.319 177.300 -0.010 0.000 1.153 113 P CA 0.681 63.746 63.100 -0.058 0.000 0.858 113 P CB -0.060 31.644 31.700 0.005 0.000 0.789 114 L N -0.386 120.844 121.223 0.012 0.000 1.961 114 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 114 L C 2.513 179.452 176.870 0.114 0.000 1.072 114 L CA 2.218 57.104 54.840 0.077 0.000 0.749 114 L CB -2.095 40.017 42.059 0.088 0.000 0.889 114 L HN -0.085 nan 8.230 nan 0.000 0.432 115 A N -0.935 121.949 122.820 0.107 0.000 1.873 115 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 115 A C 2.396 180.191 177.584 0.352 0.000 1.193 115 A CA 2.292 54.478 52.037 0.249 0.000 0.629 115 A CB -1.117 18.095 19.000 0.353 0.000 0.826 115 A HN 0.245 nan 8.150 nan 0.000 0.447 116 V N -0.118 119.915 119.914 0.197 0.000 2.332 116 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 116 V C 3.058 179.278 176.094 0.211 0.000 1.055 116 V CA 2.082 64.541 62.300 0.264 0.000 1.038 116 V CB -1.368 30.482 31.823 0.044 0.000 0.651 116 V HN 0.657 nan 8.190 nan 0.000 0.450 117 A N 0.075 122.967 122.820 0.119 0.000 1.883 117 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 117 A C 2.475 180.163 177.584 0.172 0.000 1.186 117 A CA 2.311 54.372 52.037 0.040 0.000 0.624 117 A CB -0.968 18.098 19.000 0.110 0.000 0.822 117 A HN 0.597 nan 8.150 nan 0.000 0.444 118 A N -0.134 122.873 122.820 0.311 0.000 1.892 118 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 118 A C 2.421 180.324 177.584 0.532 0.000 1.188 118 A CA 2.742 55.036 52.037 0.428 0.000 0.631 118 A CB -1.366 17.820 19.000 0.311 0.000 0.822 118 A HN 1.300 nan 8.150 nan 0.000 0.447 119 V N -1.582 118.611 119.914 0.466 0.000 2.453 119 V HA -0.127 3.993 4.120 -0.000 0.000 0.247 119 V C 2.293 178.509 176.094 0.204 0.000 1.048 119 V CA 1.976 64.483 62.300 0.344 0.000 1.049 119 V CB -0.795 31.185 31.823 0.262 0.000 0.672 119 V HN 0.449 nan 8.190 nan 0.000 0.457 120 L N -0.474 120.843 121.223 0.156 0.000 2.046 120 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 120 L C 2.522 179.399 176.870 0.012 0.000 1.077 120 L CA 2.084 56.942 54.840 0.030 0.000 0.747 120 L CB -0.518 41.502 42.059 -0.065 0.000 0.896 120 L HN 0.372 nan 8.230 nan 0.000 0.432 121 Y N -1.399 119.003 120.300 0.170 0.000 2.200 121 Y HA -0.298 4.252 4.550 -0.000 0.000 0.290 121 Y C 2.726 178.685 175.900 0.099 0.000 1.137 121 Y CA 1.561 59.743 58.100 0.137 0.000 1.163 121 Y CB -0.432 38.127 38.460 0.165 0.000 0.988 121 Y HN 0.349 nan 8.280 nan 0.000 0.518 122 H N 1.055 120.208 119.070 0.137 0.000 2.319 122 H HA -0.178 4.378 4.556 -0.000 0.000 0.297 122 H C 1.702 176.966 175.328 -0.107 0.000 1.097 122 H CA 1.704 57.689 56.048 -0.106 0.000 1.285 122 H CB 0.138 29.527 29.762 -0.621 0.000 1.368 122 H HN 0.317 nan 8.280 nan 0.000 0.495 123 K N 0.019 120.365 120.400 -0.090 0.000 2.288 123 K HA -0.043 4.277 4.320 -0.000 0.000 0.201 123 K C 1.226 177.758 176.600 -0.114 0.000 1.048 123 K CA 0.720 56.929 56.287 -0.130 0.000 0.956 123 K CB 0.165 32.639 32.500 -0.043 0.000 0.746 123 K HN 0.368 nan 8.250 nan 0.000 0.461 124 M N 1.540 121.104 119.600 -0.059 0.000 2.859 124 M HA 0.113 4.593 4.480 -0.000 0.000 0.297 124 M C -0.609 175.672 176.300 -0.032 0.000 1.268 124 M CA -0.212 55.055 55.300 -0.055 0.000 1.003 124 M CB 0.148 32.722 32.600 -0.043 0.000 1.308 124 M HN 0.002 nan 8.290 nan 0.000 0.502 125 N N 2.363 121.015 118.700 -0.080 0.000 2.701 125 N HA -0.213 4.527 4.740 -0.000 0.000 0.257 125 N C -0.447 175.060 175.510 -0.005 0.000 0.969 125 N CA 0.720 53.725 53.050 -0.074 0.000 0.786 125 N CB -1.198 37.243 38.487 -0.077 0.000 0.917 125 N HN 0.475 nan 8.380 nan 0.000 0.541 126 N N 0.612 119.345 118.700 0.055 0.000 3.012 126 N HA 0.140 4.880 4.740 -0.000 0.000 0.270 126 N C 0.550 176.103 175.510 0.072 0.000 1.469 126 N CA -0.289 52.793 53.050 0.053 0.000 0.928 126 N CB 0.596 39.126 38.487 0.073 0.000 1.219 126 N HN 0.024 nan 8.380 nan 0.000 0.492 127 E N 0.882 121.130 120.200 0.080 0.000 2.338 127 E HA -0.043 4.307 4.350 -0.000 0.000 0.197 127 E C 1.262 177.896 176.600 0.058 0.000 1.007 127 E CA 0.943 57.413 56.400 0.117 0.000 0.849 127 E CB 0.332 30.103 29.700 0.118 0.000 0.774 127 E HN 0.483 nan 8.360 nan 0.000 0.506 128 K N -0.119 120.279 120.400 -0.003 0.000 1.969 128 K HA -0.222 4.098 4.320 -0.000 0.000 0.216 128 K C 2.184 178.739 176.600 -0.076 0.000 1.048 128 K CA 1.670 57.932 56.287 -0.041 0.000 0.948 128 K CB -0.122 32.336 32.500 -0.070 0.000 0.726 128 K HN -0.020 nan 8.250 nan 0.000 0.442 129 Q N 0.015 119.698 119.800 -0.195 0.000 2.016 129 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 129 Q C 2.031 177.993 176.000 -0.064 0.000 0.978 129 Q CA 1.910 57.526 55.803 -0.311 0.000 0.833 129 Q CB -0.404 27.696 28.738 -1.063 0.000 0.895 129 Q HN 0.396 nan 8.270 nan 0.000 0.427 130 A N 0.472 123.339 122.820 0.078 0.000 1.892 130 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 130 A C 2.078 179.773 177.584 0.185 0.000 1.188 130 A CA 2.009 54.227 52.037 0.302 0.000 0.631 130 A CB -0.703 18.579 19.000 0.470 0.000 0.822 130 A HN 0.338 nan 8.150 nan 0.000 0.447 131 E N 0.393 120.667 120.200 0.123 0.000 2.031 131 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 131 E C 1.747 178.365 176.600 0.030 0.000 0.994 131 E CA 1.631 58.068 56.400 0.062 0.000 0.800 131 E CB -0.391 29.343 29.700 0.057 0.000 0.752 131 E HN 0.672 nan 8.360 nan 0.000 0.447 132 D N -0.370 120.043 120.400 0.022 0.000 2.123 132 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 132 D C 1.931 178.245 176.300 0.023 0.000 0.992 132 D CA 1.455 55.459 54.000 0.007 0.000 0.833 132 D CB -0.894 39.897 40.800 -0.014 0.000 0.954 132 D HN 0.275 nan 8.370 nan 0.000 0.455 133 C N 0.104 119.440 119.300 0.060 0.000 2.401 133 C HA -0.094 4.366 4.460 -0.000 0.000 0.276 133 C C 2.939 177.968 174.990 0.065 0.000 1.233 133 C CA 0.577 59.651 59.018 0.094 0.000 1.753 133 C CB -1.159 26.691 27.740 0.183 0.000 2.029 133 C HN 0.444 nan 8.230 nan 0.000 0.478 134 I N 0.860 121.449 120.570 0.031 0.000 2.179 134 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 134 I C 2.534 178.651 176.117 -0.001 0.000 1.088 134 I CA 2.181 63.465 61.300 -0.027 0.000 1.357 134 I CB -0.967 36.960 38.000 -0.122 0.000 1.051 134 I HN 0.488 nan 8.210 nan 0.000 0.409 135 T N -0.497 114.068 114.554 0.019 0.000 2.708 135 T HA -0.248 4.102 4.350 -0.000 0.000 0.266 135 T C 1.982 176.740 174.700 0.097 0.000 1.037 135 T CA 1.124 63.266 62.100 0.070 0.000 1.146 135 T CB -0.536 68.364 68.868 0.053 0.000 0.865 135 T HN 0.238 nan 8.240 nan 0.000 0.435 136 R N 0.434 120.955 120.500 0.035 0.000 2.139 136 R HA -0.045 4.295 4.340 -0.000 0.000 0.243 136 R C 2.348 178.717 176.300 0.115 0.000 1.145 136 R CA 1.175 57.298 56.100 0.038 0.000 0.976 136 R CB -0.498 29.819 30.300 0.029 0.000 0.866 136 R HN 0.395 nan 8.270 nan 0.000 0.449 137 L N 0.025 121.318 121.223 0.116 0.000 2.179 137 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 137 L C 1.777 178.770 176.870 0.205 0.000 1.096 137 L CA 1.287 56.221 54.840 0.158 0.000 0.779 137 L CB -0.080 42.038 42.059 0.098 0.000 0.922 137 L HN 0.136 nan 8.230 nan 0.000 0.443 138 I N -0.522 120.125 120.570 0.129 0.000 2.202 138 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 138 I C 2.403 178.681 176.117 0.268 0.000 1.091 138 I CA 1.384 62.739 61.300 0.092 0.000 1.368 138 I CB -1.294 36.723 38.000 0.029 0.000 1.058 138 I HN 0.365 nan 8.210 nan 0.000 0.410 139 H N 0.319 119.465 119.070 0.127 0.000 2.457 139 H HA -0.164 4.392 4.556 -0.000 0.000 0.297 139 H C 1.914 177.297 175.328 0.092 0.000 1.092 139 H CA 1.086 57.198 56.048 0.106 0.000 1.309 139 H CB -0.207 29.595 29.762 0.067 0.000 1.382 139 H HN 0.112 nan 8.280 nan 0.000 0.535 140 L N 1.468 122.828 121.223 0.228 0.000 2.129 140 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 140 L C 2.127 178.969 176.870 -0.047 0.000 1.087 140 L CA 1.767 56.679 54.840 0.120 0.000 0.757 140 L CB -0.527 41.642 42.059 0.183 0.000 0.896 140 L HN 0.506 nan 8.230 nan 0.000 0.434 141 N N -0.692 117.925 118.700 -0.139 0.000 2.309 141 N HA -0.230 4.510 4.740 -0.000 0.000 0.182 141 N C 1.488 176.903 175.510 -0.157 0.000 1.018 141 N CA 1.196 54.048 53.050 -0.330 0.000 0.876 141 N CB -0.461 37.813 38.487 -0.354 0.000 0.972 141 N HN 0.414 nan 8.380 nan 0.000 0.434 142 K N 1.087 121.444 120.400 -0.072 0.000 2.218 142 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 142 K C 1.902 178.471 176.600 -0.051 0.000 1.046 142 K CA 1.217 57.469 56.287 -0.059 0.000 0.933 142 K CB -0.310 32.169 32.500 -0.034 0.000 0.728 142 K HN 0.540 nan 8.250 nan 0.000 0.454 143 I N -1.715 118.830 120.570 -0.041 0.000 3.550 143 I HA 0.048 4.218 4.170 -0.000 0.000 0.295 143 I C -0.351 175.748 176.117 -0.029 0.000 1.291 143 I CA 0.662 61.949 61.300 -0.022 0.000 1.298 143 I CB 0.076 38.076 38.000 -0.001 0.000 1.026 143 I HN -0.164 nan 8.210 nan 0.000 0.491 144 D N 1.243 121.607 120.400 -0.059 0.000 2.634 144 D HA 0.249 4.889 4.640 -0.000 0.000 0.236 144 D C -2.037 174.208 176.300 -0.092 0.000 1.323 144 D CA -1.095 52.878 54.000 -0.045 0.000 0.884 144 D CB 1.228 42.019 40.800 -0.015 0.000 1.496 144 D HN -0.054 nan 8.370 nan 0.000 0.525 145 P HA -0.011 nan 4.420 nan 0.000 0.226 145 P C 0.317 177.375 177.300 -0.402 0.000 1.153 145 P CA 0.811 63.727 63.100 -0.307 0.000 0.777 145 P CB 0.169 31.613 31.700 -0.427 0.000 0.794 146 H N -1.231 117.851 119.070 0.019 0.000 2.481 146 H HA 0.485 5.041 4.556 -0.000 0.000 0.273 146 H C 0.476 175.837 175.328 0.055 0.000 1.145 146 H CA -0.909 55.160 56.048 0.036 0.000 0.964 146 H CB -0.119 29.661 29.762 0.029 0.000 1.722 146 H HN 0.033 nan 8.280 nan 0.000 0.573 147 A N 2.170 125.056 122.820 0.111 0.000 2.466 147 A HA 0.311 4.631 4.320 -0.000 0.000 0.238 147 A C -1.718 175.967 177.584 0.168 0.000 1.074 147 A CA -0.782 51.326 52.037 0.119 0.000 0.774 147 A CB 0.342 19.379 19.000 0.062 0.000 1.015 147 A HN 0.134 nan 8.150 nan 0.000 0.498 148 P HA 0.168 nan 4.420 nan 0.000 0.296 148 P C 0.153 177.564 177.300 0.185 0.000 1.295 148 P CA -0.304 62.957 63.100 0.269 0.000 0.754 148 P CB 0.438 32.397 31.700 0.430 0.000 1.311 149 N N -1.680 117.117 118.700 0.161 0.000 2.159 149 N HA 0.058 4.798 4.740 -0.000 0.000 0.217 149 N C 0.123 175.579 175.510 -0.090 0.000 1.223 149 N CA 0.157 53.228 53.050 0.036 0.000 0.896 149 N CB 0.470 38.967 38.487 0.017 0.000 1.064 149 N HN 0.505 nan 8.380 nan 0.000 0.518 150 E N -0.345 119.814 120.200 -0.068 0.000 2.961 150 E HA 0.281 4.631 4.350 -0.000 0.000 0.254 150 E C 1.154 177.616 176.600 -0.229 0.000 1.192 150 E CA -0.555 55.743 56.400 -0.170 0.000 1.069 150 E CB 0.479 30.090 29.700 -0.149 0.000 1.338 150 E HN -0.258 nan 8.360 nan 0.000 0.596 151 M N -0.420 118.994 119.600 -0.309 0.000 2.134 151 M HA 0.156 4.636 4.480 -0.000 0.000 0.262 151 M C 1.535 177.610 176.300 -0.375 0.000 1.076 151 M CA 1.560 56.680 55.300 -0.300 0.000 1.143 151 M CB -0.290 32.169 32.600 -0.234 0.000 1.346 151 M HN 0.589 nan 8.290 nan 0.000 0.421 152 L N -2.035 118.829 121.223 -0.599 0.000 2.156 152 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 152 L C 1.195 177.498 176.870 -0.945 0.000 1.095 152 L CA 1.186 55.516 54.840 -0.850 0.000 0.770 152 L CB -0.477 40.873 42.059 -1.183 0.000 0.914 152 L HN 0.357 nan 8.230 nan 0.000 0.439 153 Y N -1.171 118.950 120.300 -0.297 0.000 2.499 153 Y HA 0.331 4.881 4.550 -0.000 0.000 0.253 153 Y C 1.410 177.276 175.900 -0.056 0.000 1.105 153 Y CA -0.328 57.692 58.100 -0.133 0.000 1.240 153 Y CB 0.412 38.847 38.460 -0.042 0.000 1.289 153 Y HN -0.025 nan 8.280 nan 0.000 0.534 154 G N 0.099 108.906 108.800 0.010 0.000 2.583 154 G HA2 0.271 4.231 3.960 -0.000 0.000 0.280 154 G HA3 0.271 4.231 3.960 -0.000 0.000 0.280 154 G C 0.590 175.512 174.900 0.037 0.000 1.376 154 G CA -0.573 44.552 45.100 0.042 0.000 1.043 154 G HN 0.056 nan 8.290 nan 0.000 0.538 155 R N -0.775 119.750 120.500 0.042 0.000 2.066 155 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 155 R C 2.616 178.955 176.300 0.065 0.000 1.131 155 R CA 1.670 57.821 56.100 0.085 0.000 0.955 155 R CB -0.632 29.716 30.300 0.081 0.000 0.851 155 R HN 0.680 nan 8.270 nan 0.000 0.432 156 I N -1.549 118.970 120.570 -0.085 0.000 2.151 156 I HA -0.117 4.053 4.170 -0.000 0.000 0.243 156 I C 2.253 178.212 176.117 -0.263 0.000 1.080 156 I CA 2.035 63.168 61.300 -0.278 0.000 1.339 156 I CB -1.226 36.443 38.000 -0.552 0.000 1.039 156 I HN 0.085 nan 8.210 nan 0.000 0.409 157 G N -0.136 108.557 108.800 -0.180 0.000 2.517 157 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.222 157 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.222 157 G C 1.641 176.610 174.900 0.115 0.000 1.109 157 G CA 1.298 46.357 45.100 -0.068 0.000 0.746 157 G HN 0.697 nan 8.290 nan 0.000 0.576 158 Y N 0.583 120.892 120.300 0.015 0.000 2.314 158 Y HA 0.175 4.725 4.550 -0.000 0.000 0.294 158 Y C 2.517 178.482 175.900 0.109 0.000 1.119 158 Y CA 0.665 58.815 58.100 0.083 0.000 1.179 158 Y CB 0.084 38.586 38.460 0.071 0.000 1.025 158 Y HN 0.154 nan 8.280 nan 0.000 0.541 159 I N -0.425 120.139 120.570 -0.009 0.000 2.394 159 I HA -0.302 3.868 4.170 -0.000 0.000 0.251 159 I C 1.999 178.104 176.117 -0.020 0.000 1.136 159 I CA 1.341 62.602 61.300 -0.065 0.000 1.425 159 I CB -0.530 37.507 38.000 0.061 0.000 1.079 159 I HN 0.306 nan 8.210 nan 0.000 0.425 160 Y N 1.899 122.171 120.300 -0.047 0.000 2.097 160 Y HA -0.333 4.217 4.550 -0.000 0.000 0.282 160 Y C 2.619 178.478 175.900 -0.069 0.000 1.152 160 Y CA 1.609 59.683 58.100 -0.044 0.000 1.136 160 Y CB -0.400 37.977 38.460 -0.138 0.000 0.975 160 Y HN 0.126 nan 8.280 nan 0.000 0.498 161 A N 0.062 122.995 122.820 0.188 0.000 1.927 161 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 161 A C 2.089 179.690 177.584 0.028 0.000 1.185 161 A CA 2.159 54.381 52.037 0.308 0.000 0.639 161 A CB -1.191 17.967 19.000 0.262 0.000 0.820 161 A HN 0.484 nan 8.150 nan 0.000 0.451 162 L N -0.933 120.181 121.223 -0.182 0.000 2.017 162 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 162 L C 2.397 179.179 176.870 -0.147 0.000 1.073 162 L CA 1.289 56.001 54.840 -0.213 0.000 0.745 162 L CB -1.041 40.842 42.059 -0.292 0.000 0.894 162 L HN 0.255 nan 8.230 nan 0.000 0.432 163 L N -1.837 119.279 121.223 -0.178 0.000 2.027 163 L HA -0.198 4.142 4.340 -0.000 0.000 0.206 163 L C 2.416 179.170 176.870 -0.194 0.000 1.074 163 L CA 1.423 56.143 54.840 -0.200 0.000 0.745 163 L CB -1.544 40.362 42.059 -0.254 0.000 0.898 163 L HN 0.168 nan 8.230 nan 0.000 0.433 164 F N 0.230 119.903 119.950 -0.460 0.000 2.039 164 F HA -0.386 4.141 4.527 -0.000 0.000 0.296 164 F C 2.457 178.226 175.800 -0.051 0.000 1.119 164 F CA 2.267 60.095 58.000 -0.287 0.000 1.211 164 F CB -0.216 38.681 39.000 -0.171 0.000 0.956 164 F HN -0.109 nan 8.300 nan 0.000 0.496 165 V N 0.412 120.394 119.914 0.113 0.000 2.231 165 V HA -0.402 3.718 4.120 -0.000 0.000 0.248 165 V C 2.070 178.138 176.094 -0.043 0.000 1.054 165 V CA 2.365 64.684 62.300 0.033 0.000 1.015 165 V CB -1.007 30.767 31.823 -0.082 0.000 0.638 165 V HN 0.370 nan 8.190 nan 0.000 0.444 166 N N -0.026 118.610 118.700 -0.107 0.000 2.060 166 N HA -0.222 4.518 4.740 -0.000 0.000 0.195 166 N C 1.826 177.310 175.510 -0.042 0.000 1.028 166 N CA 1.867 54.863 53.050 -0.090 0.000 0.861 166 N CB -0.357 38.071 38.487 -0.100 0.000 1.029 166 N HN 0.496 nan 8.380 nan 0.000 0.428 167 K N 0.182 120.531 120.400 -0.086 0.000 2.025 167 K HA 0.014 4.334 4.320 -0.000 0.000 0.207 167 K C 1.359 177.917 176.600 -0.070 0.000 1.049 167 K CA 1.338 57.572 56.287 -0.088 0.000 0.933 167 K CB -0.053 32.368 32.500 -0.132 0.000 0.714 167 K HN 0.168 nan 8.250 nan 0.000 0.438 168 N N -0.759 117.874 118.700 -0.113 0.000 2.459 168 N HA -0.037 4.703 4.740 -0.000 0.000 0.181 168 N C 1.102 176.606 175.510 -0.009 0.000 1.046 168 N CA 0.762 53.753 53.050 -0.098 0.000 0.904 168 N CB 0.082 38.422 38.487 -0.245 0.000 0.964 168 N HN 0.111 nan 8.380 nan 0.000 0.444 169 F N -0.888 118.956 119.950 -0.176 0.000 2.317 169 F HA 0.195 4.722 4.527 -0.000 0.000 0.293 169 F C 2.106 177.848 175.800 -0.097 0.000 1.085 169 F CA 0.747 58.602 58.000 -0.242 0.000 1.390 169 F CB 0.262 39.068 39.000 -0.324 0.000 1.077 169 F HN 0.114 nan 8.300 nan 0.000 0.517 170 G N -0.197 108.662 108.800 0.097 0.000 2.850 170 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.207 170 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.207 170 G C 0.128 175.056 174.900 0.046 0.000 1.302 170 G CA -0.105 45.028 45.100 0.056 0.000 0.832 170 G HN 0.104 nan 8.290 nan 0.000 0.543 171 V N 1.983 121.938 119.914 0.067 0.000 3.036 171 V HA 0.508 4.628 4.120 -0.000 0.000 0.308 171 V C 0.968 177.063 176.094 0.002 0.000 1.070 171 V CA -0.011 62.310 62.300 0.036 0.000 1.056 171 V CB 1.703 33.553 31.823 0.046 0.000 1.084 171 V HN 0.478 nan 8.190 nan 0.000 0.471 172 E N 1.878 122.067 120.200 -0.019 0.000 1.795 172 E HA 0.015 4.365 4.350 -0.000 0.000 0.261 172 E C 0.651 177.204 176.600 -0.078 0.000 1.238 172 E CA -0.230 56.141 56.400 -0.047 0.000 1.001 172 E CB 0.125 29.805 29.700 -0.033 0.000 1.065 172 E HN 0.444 nan 8.360 nan 0.000 0.418 173 K N 2.450 122.764 120.400 -0.143 0.000 2.296 173 K HA 0.053 4.373 4.320 -0.000 0.000 0.200 173 K C 0.340 176.821 176.600 -0.198 0.000 1.048 173 K CA 0.437 56.590 56.287 -0.224 0.000 0.966 173 K CB 0.217 32.419 32.500 -0.497 0.000 0.754 173 K HN 0.428 nan 8.250 nan 0.000 0.466 174 I N 2.094 122.560 120.570 -0.173 0.000 2.354 174 I HA 0.165 4.335 4.170 -0.000 0.000 0.292 174 I C -2.440 173.627 176.117 -0.083 0.000 0.989 174 I CA -2.641 58.566 61.300 -0.154 0.000 1.188 174 I CB 1.599 39.482 38.000 -0.196 0.000 1.342 174 I HN -0.178 nan 8.210 nan 0.000 0.457 175 P HA -0.003 nan 4.420 nan 0.000 0.264 175 P C 0.166 177.487 177.300 0.035 0.000 1.193 175 P CA -0.098 63.008 63.100 0.009 0.000 0.763 175 P CB 0.602 32.328 31.700 0.044 0.000 0.810 176 Q N 3.397 123.208 119.800 0.019 0.000 2.291 176 Q HA -0.183 4.157 4.340 -0.000 0.000 0.206 176 Q C 1.771 177.798 176.000 0.046 0.000 0.976 176 Q CA 2.131 57.948 55.803 0.024 0.000 0.875 176 Q CB -0.680 28.062 28.738 0.007 0.000 0.927 176 Q HN 0.548 nan 8.270 nan 0.000 0.450 177 S N -0.886 114.846 115.700 0.053 0.000 2.348 177 S HA -0.263 4.207 4.470 -0.000 0.000 0.221 177 S C 1.966 176.613 174.600 0.078 0.000 1.033 177 S CA 1.275 59.506 58.200 0.053 0.000 1.010 177 S CB -0.981 62.245 63.200 0.042 0.000 0.891 177 S HN 0.597 nan 8.310 nan 0.000 0.442 178 H N 2.006 121.086 119.070 0.015 0.000 2.394 178 H HA -0.076 4.480 4.556 -0.000 0.000 0.297 178 H C 1.940 177.294 175.328 0.044 0.000 1.113 178 H CA 1.942 58.009 56.048 0.032 0.000 1.277 178 H CB -0.222 29.559 29.762 0.031 0.000 1.370 178 H HN 0.391 nan 8.280 nan 0.000 0.506 179 I N 1.096 121.780 120.570 0.190 0.000 2.277 179 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 179 I C 2.797 178.966 176.117 0.087 0.000 1.094 179 I CA 1.255 62.635 61.300 0.133 0.000 1.393 179 I CB -1.246 36.794 38.000 0.067 0.000 1.078 179 I HN 0.415 nan 8.210 nan 0.000 0.417 180 Q N 1.947 121.783 119.800 0.059 0.000 2.079 180 Q HA -0.269 4.071 4.340 -0.000 0.000 0.200 180 Q C 2.017 178.040 176.000 0.039 0.000 0.974 180 Q CA 1.908 57.737 55.803 0.044 0.000 0.840 180 Q CB -0.579 28.178 28.738 0.032 0.000 0.898 180 Q HN 0.648 nan 8.270 nan 0.000 0.430 181 Q N 1.471 121.283 119.800 0.020 0.000 2.124 181 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 181 Q C 2.133 178.138 176.000 0.007 0.000 0.977 181 Q CA 1.750 57.553 55.803 -0.001 0.000 0.850 181 Q CB -0.734 27.981 28.738 -0.038 0.000 0.901 181 Q HN 0.647 nan 8.270 nan 0.000 0.429 182 I N -0.255 120.326 120.570 0.019 0.000 2.252 182 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 182 I C 2.295 178.459 176.117 0.078 0.000 1.102 182 I CA 1.498 62.832 61.300 0.056 0.000 1.385 182 I CB -0.552 37.525 38.000 0.129 0.000 1.064 182 I HN 0.529 nan 8.210 nan 0.000 0.414 183 C N 1.385 120.734 119.300 0.082 0.000 2.413 183 C HA -0.210 4.250 4.460 -0.000 0.000 0.276 183 C C 2.646 177.687 174.990 0.086 0.000 1.236 183 C CA 1.942 61.011 59.018 0.086 0.000 1.735 183 C CB -1.196 26.590 27.740 0.077 0.000 2.031 183 C HN 0.694 nan 8.230 nan 0.000 0.474 184 E N 0.236 120.476 120.200 0.067 0.000 2.049 184 E HA -0.215 4.135 4.350 -0.000 0.000 0.198 184 E C 2.355 178.999 176.600 0.072 0.000 1.007 184 E CA 2.537 58.975 56.400 0.063 0.000 0.809 184 E CB -0.275 29.450 29.700 0.042 0.000 0.749 184 E HN 0.866 nan 8.360 nan 0.000 0.450 185 T N -0.903 113.688 114.554 0.062 0.000 2.977 185 T HA -0.160 4.190 4.350 -0.000 0.000 0.271 185 T C 1.858 176.624 174.700 0.111 0.000 1.105 185 T CA 1.214 63.355 62.100 0.069 0.000 1.116 185 T CB -0.388 68.505 68.868 0.042 0.000 0.878 185 T HN 0.379 nan 8.240 nan 0.000 0.509 186 I N -1.620 119.030 120.570 0.133 0.000 3.035 186 I HA 0.242 4.412 4.170 -0.000 0.000 0.271 186 I C 2.015 178.303 176.117 0.285 0.000 1.190 186 I CA 0.178 61.601 61.300 0.205 0.000 1.472 186 I CB -0.056 38.036 38.000 0.155 0.000 1.116 186 I HN 0.168 nan 8.210 nan 0.000 0.443 187 L N 1.241 122.588 121.223 0.206 0.000 1.973 187 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 187 L C 2.905 179.862 176.870 0.144 0.000 1.073 187 L CA 2.408 57.368 54.840 0.200 0.000 0.746 187 L CB -0.942 41.201 42.059 0.140 0.000 0.891 187 L HN 0.439 nan 8.230 nan 0.000 0.433 188 T N -3.925 110.691 114.554 0.104 0.000 2.759 188 T HA -0.258 4.092 4.350 -0.000 0.000 0.269 188 T C 2.022 176.759 174.700 0.062 0.000 1.042 188 T CA 1.570 63.712 62.100 0.070 0.000 1.140 188 T CB -0.680 68.222 68.868 0.058 0.000 0.864 188 T HN 0.292 nan 8.240 nan 0.000 0.455 189 S N 1.179 116.934 115.700 0.093 0.000 2.442 189 S HA 0.074 4.544 4.470 -0.000 0.000 0.236 189 S C 2.223 176.816 174.600 -0.010 0.000 1.007 189 S CA 1.247 59.497 58.200 0.084 0.000 0.965 189 S CB -1.066 62.226 63.200 0.152 0.000 0.773 189 S HN 0.761 nan 8.310 nan 0.000 0.504 190 G N 0.899 109.666 108.800 -0.055 0.000 2.603 190 G HA2 0.020 3.980 3.960 -0.000 0.000 0.214 190 G HA3 0.020 3.980 3.960 -0.000 0.000 0.214 190 G C 1.346 176.096 174.900 -0.250 0.000 1.140 190 G CA 0.531 45.362 45.100 -0.449 0.000 0.800 190 G HN 0.782 nan 8.290 nan 0.000 0.533 191 E N 0.573 120.726 120.200 -0.079 0.000 2.140 191 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 191 E C 1.795 178.377 176.600 -0.030 0.000 0.973 191 E CA 0.235 56.609 56.400 -0.043 0.000 0.829 191 E CB -0.491 29.208 29.700 -0.002 0.000 0.781 191 E HN 0.380 nan 8.360 nan 0.000 0.466 192 N N 1.387 120.077 118.700 -0.017 0.000 2.061 192 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 192 N C 1.960 177.467 175.510 -0.004 0.000 1.030 192 N CA 1.120 54.169 53.050 -0.001 0.000 0.856 192 N CB -0.131 38.365 38.487 0.015 0.000 1.023 192 N HN 0.144 nan 8.380 nan 0.000 0.424 193 L N 1.273 122.478 121.223 -0.030 0.000 2.141 193 L HA -0.033 4.307 4.340 -0.000 0.000 0.209 193 L C 2.095 178.975 176.870 0.018 0.000 1.094 193 L CA 1.127 55.964 54.840 -0.005 0.000 0.763 193 L CB -0.832 41.203 42.059 -0.039 0.000 0.908 193 L HN 0.080 nan 8.230 nan 0.000 0.437 194 A N -0.740 122.064 122.820 -0.026 0.000 2.167 194 A HA -0.143 4.177 4.320 -0.000 0.000 0.214 194 A C 2.389 180.004 177.584 0.052 0.000 1.151 194 A CA 0.808 52.859 52.037 0.025 0.000 0.735 194 A CB -0.366 18.615 19.000 -0.031 0.000 0.802 194 A HN 0.434 nan 8.150 nan 0.000 0.467 195 R N -0.345 120.170 120.500 0.025 0.000 2.123 195 R HA 0.090 4.430 4.340 -0.000 0.000 0.209 195 R C 1.627 177.939 176.300 0.019 0.000 1.078 195 R CA 0.639 56.748 56.100 0.015 0.000 1.028 195 R CB -0.130 30.174 30.300 0.006 0.000 0.939 195 R HN 0.375 nan 8.270 nan 0.000 0.463 196 K N 0.150 120.568 120.400 0.030 0.000 2.211 196 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 196 K C 0.479 177.109 176.600 0.050 0.000 1.047 196 K CA 0.983 57.291 56.287 0.035 0.000 0.935 196 K CB 0.093 32.617 32.500 0.041 0.000 0.728 196 K HN 0.038 nan 8.250 nan 0.000 0.452 197 R N 0.637 121.186 120.500 0.081 0.000 2.782 197 R HA 0.205 4.545 4.340 -0.000 0.000 0.258 197 R C -0.014 176.290 176.300 0.006 0.000 1.055 197 R CA -0.577 55.574 56.100 0.085 0.000 1.065 197 R CB 0.212 30.666 30.300 0.256 0.000 1.172 197 R HN -0.011 nan 8.270 nan 0.000 0.510 198 N N 1.257 119.887 118.700 -0.117 0.000 3.131 198 N HA 0.143 4.883 4.740 -0.000 0.000 0.312 198 N C 0.042 175.381 175.510 -0.285 0.000 1.433 198 N CA 0.027 52.983 53.050 -0.157 0.000 1.141 198 N CB 0.031 38.426 38.487 -0.154 0.000 1.431 198 N HN 0.408 nan 8.380 nan 0.000 0.523 199 F N -0.113 119.749 119.950 -0.146 0.000 2.530 199 F HA -0.001 4.526 4.527 -0.000 0.000 0.292 199 F C 2.491 178.171 175.800 -0.200 0.000 1.109 199 F CA 0.320 58.183 58.000 -0.229 0.000 1.450 199 F CB 0.279 39.100 39.000 -0.298 0.000 1.114 199 F HN 0.121 nan 8.300 nan 0.000 0.560 200 T N 0.108 114.680 114.554 0.030 0.000 2.684 200 T HA -0.363 3.987 4.350 -0.000 0.000 0.267 200 T C 2.129 176.812 174.700 -0.029 0.000 1.032 200 T CA 1.769 63.865 62.100 -0.007 0.000 1.155 200 T CB -0.361 68.501 68.868 -0.010 0.000 0.857 200 T HN 0.322 nan 8.240 nan 0.000 0.457 201 A N 0.839 123.633 122.820 -0.044 0.000 1.835 201 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 201 A C 2.313 179.865 177.584 -0.053 0.000 1.199 201 A CA 2.000 54.010 52.037 -0.046 0.000 0.615 201 A CB -0.696 18.272 19.000 -0.052 0.000 0.838 201 A HN 0.578 nan 8.150 nan 0.000 0.444 202 K N -0.943 119.409 120.400 -0.079 0.000 2.103 202 K HA -0.068 4.252 4.320 -0.000 0.000 0.207 202 K C 0.244 176.722 176.600 -0.203 0.000 1.048 202 K CA 1.289 57.506 56.287 -0.117 0.000 0.930 202 K CB -0.065 32.335 32.500 -0.168 0.000 0.716 202 K HN 0.422 nan 8.250 nan 0.000 0.444 203 S N -0.824 114.758 115.700 -0.196 0.000 2.545 203 S HA 0.251 4.721 4.470 -0.000 0.000 0.259 203 S C -2.663 171.876 174.600 -0.101 0.000 1.092 203 S CA -1.320 56.764 58.200 -0.192 0.000 1.054 203 S CB 1.365 64.315 63.200 -0.416 0.000 1.146 203 S HN -0.194 nan 8.310 nan 0.000 0.447 204 P HA 0.043 nan 4.420 nan 0.000 0.222 204 P C -0.306 176.975 177.300 -0.032 0.000 1.142 204 P CA 1.059 64.138 63.100 -0.035 0.000 0.788 204 P CB 0.074 31.759 31.700 -0.024 0.000 0.767 205 L N -1.948 119.258 121.223 -0.028 0.000 2.370 205 L HA 0.653 4.993 4.340 -0.000 0.000 0.266 205 L C -0.358 176.454 176.870 -0.097 0.000 1.002 205 L CA -0.927 53.898 54.840 -0.025 0.000 0.818 205 L CB 1.919 44.089 42.059 0.185 0.000 1.325 205 L HN -0.218 nan 8.230 nan 0.000 0.418 206 M N 2.300 121.678 119.600 -0.370 0.000 2.465 206 M HA 0.561 5.041 4.480 -0.000 0.000 0.284 206 M C -2.104 173.848 176.300 -0.580 0.000 1.212 206 M CA -0.438 54.638 55.300 -0.374 0.000 0.910 206 M CB 2.030 34.376 32.600 -0.422 0.000 1.725 206 M HN 0.325 nan 8.290 nan 0.000 0.477 207 Y N 0.693 121.039 120.300 0.078 0.000 2.562 207 Y HA 0.703 5.253 4.550 -0.000 0.000 0.345 207 Y C -0.700 175.356 175.900 0.260 0.000 1.045 207 Y CA -0.795 57.396 58.100 0.151 0.000 1.028 207 Y CB 2.079 40.595 38.460 0.094 0.000 1.297 207 Y HN 0.662 nan 8.280 nan 0.000 0.463 208 E N 0.551 120.996 120.200 0.410 0.000 2.356 208 E HA 0.505 4.855 4.350 -0.000 0.000 0.275 208 E C -2.124 174.718 176.600 0.404 0.000 0.904 208 E CA -1.029 55.572 56.400 0.336 0.000 0.757 208 E CB 2.764 32.527 29.700 0.104 0.000 1.232 208 E HN 0.573 nan 8.360 nan 0.000 0.442 209 W N 4.331 125.800 121.300 0.281 0.000 2.839 209 W HA 0.377 5.037 4.660 -0.000 0.000 0.334 209 W C -1.159 175.546 176.519 0.310 0.000 1.064 209 W CA -0.915 56.585 57.345 0.258 0.000 1.236 209 W CB 1.112 30.697 29.460 0.209 0.000 1.405 209 W HN 0.678 nan 8.180 nan 0.000 0.478 210 Y N 6.267 126.070 120.300 -0.828 0.000 3.001 210 Y HA -0.366 4.184 4.550 -0.000 0.000 0.199 210 Y C 0.872 176.538 175.900 -0.390 0.000 1.320 210 Y CA 1.853 59.423 58.100 -0.883 0.000 0.974 210 Y CB -1.255 36.182 38.460 -1.704 0.000 1.291 210 Y HN 0.783 nan 8.280 nan 0.000 0.465 211 Q N -0.922 118.665 119.800 -0.355 0.000 2.489 211 Q HA -0.248 4.092 4.340 -0.000 0.000 0.259 211 Q C -0.324 175.434 176.000 -0.404 0.000 0.934 211 Q CA 1.511 57.082 55.803 -0.386 0.000 1.131 211 Q CB -0.644 27.811 28.738 -0.472 0.000 1.472 211 Q HN 0.752 nan 8.270 nan 0.000 0.560 212 E N -0.597 119.399 120.200 -0.340 0.000 2.408 212 E HA 0.271 4.621 4.350 -0.000 0.000 0.275 212 E C -1.109 175.297 176.600 -0.324 0.000 0.935 212 E CA -0.741 55.366 56.400 -0.488 0.000 0.775 212 E CB 0.834 30.042 29.700 -0.820 0.000 1.277 212 E HN 0.167 nan 8.360 nan 0.000 0.455 213 Y N 0.940 121.153 120.300 -0.145 0.000 2.714 213 Y HA 0.191 4.741 4.550 -0.000 0.000 0.333 213 Y C -0.125 175.750 175.900 -0.042 0.000 1.220 213 Y CA -0.642 57.442 58.100 -0.027 0.000 1.513 213 Y CB -0.070 38.376 38.460 -0.024 0.000 1.435 213 Y HN 0.315 nan 8.280 nan 0.000 0.489 214 Y N 0.668 121.116 120.300 0.246 0.000 2.442 214 Y HA 0.031 4.581 4.550 -0.000 0.000 0.330 214 Y C 1.099 177.083 175.900 0.140 0.000 1.129 214 Y CA -0.080 58.143 58.100 0.204 0.000 1.365 214 Y CB 0.807 39.434 38.460 0.278 0.000 1.233 214 Y HN 0.349 nan 8.280 nan 0.000 0.529 215 V N 2.716 122.784 119.914 0.256 0.000 2.426 215 V HA 0.016 4.136 4.120 -0.000 0.000 0.242 215 V C 1.574 177.713 176.094 0.075 0.000 1.036 215 V CA 1.175 63.558 62.300 0.138 0.000 1.044 215 V CB -0.842 31.041 31.823 0.099 0.000 0.688 215 V HN 0.972 nan 8.190 nan 0.000 0.462 216 G N -0.782 108.087 108.800 0.116 0.000 2.647 216 G HA2 0.285 4.245 3.960 -0.000 0.000 0.271 216 G HA3 0.285 4.245 3.960 -0.000 0.000 0.271 216 G C 1.198 175.919 174.900 -0.298 0.000 1.300 216 G CA 0.360 45.413 45.100 -0.079 0.000 0.997 216 G HN 0.443 nan 8.290 nan 0.000 0.533 217 A N -0.370 122.074 122.820 -0.627 0.000 1.872 217 A HA 0.226 4.546 4.320 -0.000 0.000 0.214 217 A C 2.801 179.757 177.584 -1.047 0.000 1.187 217 A CA 2.485 53.940 52.037 -0.969 0.000 0.614 217 A CB -1.010 16.952 19.000 -1.730 0.000 0.826 217 A HN 1.329 nan 8.150 nan 0.000 0.442 218 A N -1.437 120.645 122.820 -1.230 0.000 1.865 218 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 218 A C 1.994 179.051 177.584 -0.879 0.000 1.191 218 A CA 1.829 53.267 52.037 -0.998 0.000 0.623 218 A CB -0.650 17.773 19.000 -0.961 0.000 0.826 218 A HN 0.641 nan 8.150 nan 0.000 0.444 219 H N -2.062 116.694 119.070 -0.524 0.000 2.893 219 H HA 0.309 4.865 4.556 -0.000 0.000 0.270 219 H C 1.003 176.227 175.328 -0.173 0.000 1.095 219 H CA 0.536 56.292 56.048 -0.485 0.000 1.186 219 H CB 0.369 29.687 29.762 -0.740 0.000 1.562 219 H HN 0.508 nan 8.280 nan 0.000 0.536 220 G N -0.261 108.518 108.800 -0.034 0.000 3.217 220 G HA2 0.314 4.274 3.960 -0.000 0.000 0.213 220 G HA3 0.314 4.274 3.960 -0.000 0.000 0.213 220 G C 0.626 175.464 174.900 -0.103 0.000 1.294 220 G CA -0.460 44.684 45.100 0.072 0.000 0.987 220 G HN -0.046 nan 8.290 nan 0.000 0.584 221 L N 0.702 121.865 121.223 -0.100 0.000 1.994 221 L HA 0.032 4.372 4.340 -0.000 0.000 0.208 221 L C 3.414 180.045 176.870 -0.400 0.000 1.071 221 L CA 2.396 57.005 54.840 -0.385 0.000 0.745 221 L CB -1.640 40.321 42.059 -0.163 0.000 0.892 221 L HN 0.593 nan 8.230 nan 0.000 0.431 222 A N -0.206 122.548 122.820 -0.111 0.000 1.917 222 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 222 A C 2.444 180.048 177.584 0.035 0.000 1.182 222 A CA 1.914 53.953 52.037 0.004 0.000 0.633 222 A CB -1.338 17.624 19.000 -0.064 0.000 0.819 222 A HN 0.463 nan 8.150 nan 0.000 0.448 223 G N 0.100 108.854 108.800 -0.077 0.000 2.529 223 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 223 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 223 G C 1.528 176.505 174.900 0.128 0.000 1.177 223 G CA 1.341 46.460 45.100 0.033 0.000 0.773 223 G HN 0.518 nan 8.290 nan 0.000 0.573 224 I N -0.898 119.584 120.570 -0.147 0.000 2.286 224 I HA -0.082 4.088 4.170 -0.000 0.000 0.245 224 I C 2.559 178.682 176.117 0.009 0.000 1.104 224 I CA 0.850 62.021 61.300 -0.215 0.000 1.397 224 I CB -0.355 37.265 38.000 -0.633 0.000 1.072 224 I HN 0.233 nan 8.210 nan 0.000 0.417 225 Y N -0.407 119.954 120.300 0.102 0.000 2.200 225 Y HA -0.326 4.224 4.550 -0.000 0.000 0.290 225 Y C 2.685 178.664 175.900 0.130 0.000 1.137 225 Y CA 1.255 59.425 58.100 0.117 0.000 1.163 225 Y CB -0.647 37.888 38.460 0.123 0.000 0.988 225 Y HN 0.084 nan 8.280 nan 0.000 0.518 226 Y N -0.196 120.233 120.300 0.215 0.000 2.102 226 Y HA -0.429 4.121 4.550 -0.000 0.000 0.280 226 Y C 2.078 177.982 175.900 0.006 0.000 1.178 226 Y CA 1.825 59.988 58.100 0.105 0.000 1.146 226 Y CB -0.827 37.724 38.460 0.151 0.000 0.968 226 Y HN 0.115 nan 8.280 nan 0.000 0.504 227 Y N -0.375 119.902 120.300 -0.038 0.000 2.373 227 Y HA -0.155 4.395 4.550 -0.000 0.000 0.293 227 Y C 2.130 177.958 175.900 -0.121 0.000 1.129 227 Y CA 1.371 59.381 58.100 -0.150 0.000 1.226 227 Y CB -0.140 38.297 38.460 -0.039 0.000 1.000 227 Y HN 0.177 nan 8.280 nan 0.000 0.549 228 L N -1.204 120.077 121.223 0.097 0.000 2.209 228 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 228 L C 1.746 178.608 176.870 -0.012 0.000 1.094 228 L CA 0.765 55.655 54.840 0.083 0.000 0.790 228 L CB -0.228 41.939 42.059 0.181 0.000 0.932 228 L HN 0.207 nan 8.230 nan 0.000 0.447 229 M N -0.880 118.675 119.600 -0.075 0.000 2.628 229 M HA -0.009 4.471 4.480 -0.000 0.000 0.232 229 M C 0.212 176.347 176.300 -0.275 0.000 1.128 229 M CA 0.188 55.382 55.300 -0.176 0.000 1.040 229 M CB 0.004 32.486 32.600 -0.196 0.000 1.608 229 M HN 0.043 nan 8.290 nan 0.000 0.507 230 Q N 1.042 120.656 119.800 -0.310 0.000 2.288 230 Q HA 0.140 4.480 4.340 -0.000 0.000 0.258 230 Q C -1.707 174.161 176.000 -0.219 0.000 0.957 230 Q CA -1.610 53.978 55.803 -0.358 0.000 0.919 230 Q CB 1.155 29.599 28.738 -0.490 0.000 1.185 230 Q HN -0.055 nan 8.270 nan 0.000 0.408 231 P HA -0.150 nan 4.420 nan 0.000 0.216 231 P C 0.591 177.828 177.300 -0.104 0.000 1.150 231 P CA 1.243 64.265 63.100 -0.131 0.000 0.837 231 P CB 0.310 31.938 31.700 -0.121 0.000 0.786 232 S N -0.230 115.397 115.700 -0.122 0.000 2.392 232 S HA -0.191 4.279 4.470 -0.000 0.000 0.232 232 S C 1.697 176.258 174.600 -0.064 0.000 1.041 232 S CA 1.365 59.507 58.200 -0.097 0.000 1.026 232 S CB -1.266 61.859 63.200 -0.124 0.000 0.845 232 S HN 0.105 nan 8.310 nan 0.000 0.465 233 L N 0.893 122.077 121.223 -0.065 0.000 2.492 233 L HA 0.120 4.460 4.340 -0.000 0.000 0.223 233 L C 0.581 177.446 176.870 -0.009 0.000 1.132 233 L CA 0.576 55.405 54.840 -0.019 0.000 0.850 233 L CB -0.722 41.339 42.059 0.003 0.000 0.966 233 L HN 0.255 nan 8.230 nan 0.000 0.454 234 Q N -0.736 119.048 119.800 -0.027 0.000 2.452 234 Q HA -0.180 4.160 4.340 -0.000 0.000 0.318 234 Q C -0.384 175.619 176.000 0.005 0.000 1.386 234 Q CA -0.054 55.740 55.803 -0.015 0.000 0.872 234 Q CB -2.004 26.730 28.738 -0.007 0.000 1.151 234 Q HN 0.145 nan 8.270 nan 0.000 0.417 235 V N 1.902 121.821 119.914 0.008 0.000 2.479 235 V HA 0.081 4.201 4.120 -0.000 0.000 0.281 235 V C 1.092 177.208 176.094 0.036 0.000 1.031 235 V CA 0.464 62.782 62.300 0.031 0.000 1.038 235 V CB 1.275 33.124 31.823 0.044 0.000 0.981 235 V HN 0.577 nan 8.190 nan 0.000 0.478 236 S N 3.991 119.716 115.700 0.042 0.000 2.702 236 S HA -0.134 4.336 4.470 -0.000 0.000 0.314 236 S C 1.110 175.754 174.600 0.073 0.000 1.244 236 S CA 0.200 58.428 58.200 0.047 0.000 1.058 236 S CB 0.477 63.704 63.200 0.045 0.000 0.783 236 S HN 0.785 nan 8.310 nan 0.000 0.503 237 Q N 4.319 124.165 119.800 0.077 0.000 2.224 237 Q HA -0.144 4.196 4.340 -0.000 0.000 0.213 237 Q C 1.926 178.032 176.000 0.176 0.000 0.998 237 Q CA 2.599 58.483 55.803 0.134 0.000 0.895 237 Q CB -1.160 27.635 28.738 0.095 0.000 0.926 237 Q HN 1.001 nan 8.270 nan 0.000 0.417 238 G N 0.118 108.981 108.800 0.105 0.000 2.604 238 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.216 238 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.216 238 G C 1.189 176.159 174.900 0.117 0.000 1.265 238 G CA 0.977 46.133 45.100 0.092 0.000 0.804 238 G HN 0.400 nan 8.290 nan 0.000 0.579 239 K N -0.382 120.073 120.400 0.091 0.000 2.160 239 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 239 K C 2.436 179.098 176.600 0.102 0.000 1.047 239 K CA 0.914 57.252 56.287 0.085 0.000 0.930 239 K CB -0.335 32.209 32.500 0.072 0.000 0.720 239 K HN 0.194 nan 8.250 nan 0.000 0.450 240 L N 0.858 122.158 121.223 0.129 0.000 2.043 240 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 240 L C 2.155 179.100 176.870 0.124 0.000 1.075 240 L CA 1.887 56.813 54.840 0.144 0.000 0.752 240 L CB -0.405 41.753 42.059 0.165 0.000 0.891 240 L HN 0.329 nan 8.230 nan 0.000 0.432 241 H N -2.160 116.974 119.070 0.106 0.000 2.497 241 H HA 0.089 4.645 4.556 -0.000 0.000 0.282 241 H C 2.242 177.553 175.328 -0.028 0.000 1.003 241 H CA 1.206 57.267 56.048 0.021 0.000 1.307 241 H CB 0.341 30.122 29.762 0.032 0.000 1.437 241 H HN 0.488 nan 8.280 nan 0.000 0.544 242 S N -0.248 115.516 115.700 0.108 0.000 2.470 242 S HA 0.012 4.482 4.470 -0.000 0.000 0.222 242 S C 1.836 176.447 174.600 0.019 0.000 1.024 242 S CA 0.168 58.399 58.200 0.052 0.000 0.931 242 S CB 0.052 63.284 63.200 0.052 0.000 0.791 242 S HN 0.023 nan 8.310 nan 0.000 0.513 243 L N 0.767 122.004 121.223 0.022 0.000 2.453 243 L HA 0.407 4.747 4.340 -0.000 0.000 0.190 243 L C 2.562 179.412 176.870 -0.033 0.000 1.093 243 L CA 0.946 55.792 54.840 0.011 0.000 0.834 243 L CB -0.734 41.352 42.059 0.046 0.000 1.090 243 L HN 0.307 nan 8.230 nan 0.000 0.489 244 V N -0.602 119.295 119.914 -0.027 0.000 2.535 244 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 244 V C 2.509 178.491 176.094 -0.187 0.000 1.045 244 V CA 1.568 63.803 62.300 -0.108 0.000 1.058 244 V CB -0.136 31.690 31.823 0.005 0.000 0.689 244 V HN 0.514 nan 8.190 nan 0.000 0.461 245 K N 0.797 121.095 120.400 -0.171 0.000 2.020 245 K HA -0.137 4.183 4.320 -0.000 0.000 0.212 245 K C -0.206 176.268 176.600 -0.210 0.000 1.050 245 K CA 2.398 58.480 56.287 -0.343 0.000 0.929 245 K CB -1.163 30.894 32.500 -0.739 0.000 0.714 245 K HN 0.507 nan 8.250 nan 0.000 0.443 246 P HA 0.027 nan 4.420 nan 0.000 0.222 246 P C 0.880 178.155 177.300 -0.041 0.000 1.153 246 P CA 0.998 64.061 63.100 -0.063 0.000 0.798 246 P CB 0.182 31.856 31.700 -0.044 0.000 0.796 247 S N -0.224 115.388 115.700 -0.145 0.000 2.365 247 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 247 S C 2.007 176.486 174.600 -0.203 0.000 1.039 247 S CA 1.462 59.529 58.200 -0.221 0.000 1.033 247 S CB -1.386 61.476 63.200 -0.563 0.000 0.887 247 S HN -0.019 nan 8.310 nan 0.000 0.447 248 V N 2.608 122.335 119.914 -0.312 0.000 2.295 248 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 248 V C 2.103 178.268 176.094 0.119 0.000 1.049 248 V CA 1.773 64.033 62.300 -0.068 0.000 1.024 248 V CB -0.697 31.086 31.823 -0.066 0.000 0.648 248 V HN 0.463 nan 8.190 nan 0.000 0.447 249 D N -1.185 119.287 120.400 0.121 0.000 2.182 249 D HA -0.238 4.402 4.640 -0.000 0.000 0.201 249 D C 1.886 178.295 176.300 0.182 0.000 0.986 249 D CA 1.764 55.870 54.000 0.175 0.000 0.847 249 D CB -0.128 40.744 40.800 0.120 0.000 0.942 249 D HN 0.641 nan 8.370 nan 0.000 0.467 250 Y N 1.905 122.240 120.300 0.058 0.000 2.114 250 Y HA -0.284 4.266 4.550 -0.000 0.000 0.284 250 Y C 2.426 178.391 175.900 0.108 0.000 1.143 250 Y CA 1.251 59.394 58.100 0.072 0.000 1.135 250 Y CB -0.180 38.316 38.460 0.061 0.000 0.980 250 Y HN -0.234 nan 8.280 nan 0.000 0.499 251 V N -0.265 119.685 119.914 0.061 0.000 2.252 251 V HA -0.440 3.680 4.120 -0.000 0.000 0.249 251 V C 2.546 178.695 176.094 0.091 0.000 1.056 251 V CA 1.921 64.240 62.300 0.031 0.000 1.022 251 V CB -1.335 30.616 31.823 0.213 0.000 0.641 251 V HN 0.690 nan 8.190 nan 0.000 0.445 252 C N 0.034 119.439 119.300 0.176 0.000 2.401 252 C HA -0.205 4.255 4.460 -0.000 0.000 0.276 252 C C 2.802 177.839 174.990 0.079 0.000 1.233 252 C CA 1.394 60.558 59.018 0.244 0.000 1.753 252 C CB -1.200 26.684 27.740 0.240 0.000 2.029 252 C HN 0.687 nan 8.230 nan 0.000 0.478 253 Q N 0.723 120.522 119.800 -0.002 0.000 2.436 253 Q HA -0.018 4.322 4.340 -0.000 0.000 0.209 253 Q C 1.795 177.698 176.000 -0.162 0.000 0.965 253 Q CA 1.178 56.943 55.803 -0.063 0.000 0.910 253 Q CB -0.307 28.423 28.738 -0.013 0.000 0.980 253 Q HN 0.713 nan 8.270 nan 0.000 0.491 254 L N 1.554 122.636 121.223 -0.235 0.000 2.478 254 L HA -0.018 4.322 4.340 -0.000 0.000 0.223 254 L C 1.051 177.646 176.870 -0.459 0.000 1.140 254 L CA 0.253 54.909 54.840 -0.306 0.000 0.842 254 L CB -0.384 41.497 42.059 -0.297 0.000 0.953 254 L HN 0.125 nan 8.230 nan 0.000 0.452 255 K N 1.054 121.114 120.400 -0.567 0.000 2.561 255 K HA -0.056 4.264 4.320 -0.000 0.000 0.280 255 K C -0.398 175.871 176.600 -0.551 0.000 0.975 255 K CA -0.042 55.667 56.287 -0.963 0.000 1.024 255 K CB 0.175 32.161 32.500 -0.857 0.000 0.883 255 K HN -0.168 nan 8.250 nan 0.000 0.496 256 F N 2.742 122.479 119.950 -0.354 0.000 2.485 256 F HA 0.055 4.582 4.527 -0.000 0.000 0.327 256 F C -0.696 175.021 175.800 -0.139 0.000 1.203 256 F CA -2.116 55.776 58.000 -0.181 0.000 1.295 256 F CB 0.189 39.115 39.000 -0.124 0.000 1.191 256 F HN 0.535 nan 8.300 nan 0.000 0.588 257 P HA -0.195 nan 4.420 nan 0.000 0.220 257 P C 1.137 178.481 177.300 0.072 0.000 1.144 257 P CA 1.783 64.922 63.100 0.065 0.000 0.800 257 P CB -0.242 31.481 31.700 0.038 0.000 0.772 258 S N -2.078 113.688 115.700 0.110 0.000 2.470 258 S HA 0.239 4.709 4.470 -0.000 0.000 0.225 258 S C 1.783 176.468 174.600 0.141 0.000 1.006 258 S CA 0.922 59.191 58.200 0.116 0.000 0.934 258 S CB -0.754 62.506 63.200 0.099 0.000 0.778 258 S HN 0.300 nan 8.310 nan 0.000 0.517 259 G N 1.113 109.977 108.800 0.107 0.000 2.253 259 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.209 259 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.209 259 G C 0.100 175.068 174.900 0.113 0.000 0.997 259 G CA -0.012 45.142 45.100 0.089 0.000 0.640 259 G HN 0.592 nan 8.290 nan 0.000 0.496 260 N N 0.032 118.846 118.700 0.189 0.000 2.263 260 N HA 0.535 5.275 4.740 -0.000 0.000 0.239 260 N C -0.764 174.747 175.510 0.002 0.000 1.317 260 N CA 0.220 53.454 53.050 0.306 0.000 0.909 260 N CB 0.100 38.818 38.487 0.385 0.000 1.171 260 N HN 0.205 nan 8.380 nan 0.000 0.492 261 Y N -0.785 119.470 120.300 -0.075 0.000 2.492 261 Y HA 0.392 4.942 4.550 -0.000 0.000 0.346 261 Y C -1.976 173.715 175.900 -0.349 0.000 0.997 261 Y CA -1.940 55.914 58.100 -0.409 0.000 1.025 261 Y CB 1.985 40.327 38.460 -0.198 0.000 1.263 261 Y HN 0.434 nan 8.280 nan 0.000 0.454 262 P HA 0.112 nan 4.420 nan 0.000 0.271 262 P C -2.373 174.958 177.300 0.052 0.000 1.216 262 P CA -1.257 61.820 63.100 -0.037 0.000 0.776 262 P CB 1.408 33.042 31.700 -0.109 0.000 0.881 263 P HA -0.137 nan 4.420 nan 0.000 0.213 263 P C 0.113 177.415 177.300 0.004 0.000 1.170 263 P CA 1.555 64.624 63.100 -0.052 0.000 0.902 263 P CB -0.047 31.520 31.700 -0.221 0.000 0.789 264 C N -2.830 116.437 119.300 -0.054 0.000 2.971 264 C HA 0.574 5.034 4.460 -0.000 0.000 0.310 264 C C 0.302 175.295 174.990 0.005 0.000 1.285 264 C CA -1.818 57.158 59.018 -0.071 0.000 1.593 264 C CB 0.411 27.991 27.740 -0.266 0.000 2.076 264 C HN 0.033 nan 8.230 nan 0.000 0.472 265 I N 2.322 122.933 120.570 0.069 0.000 2.821 265 I HA 0.324 4.494 4.170 -0.000 0.000 0.294 265 I C 1.492 177.679 176.117 0.116 0.000 1.210 265 I CA 2.356 63.726 61.300 0.117 0.000 1.430 265 I CB -0.314 37.829 38.000 0.238 0.000 1.356 265 I HN 1.239 nan 8.210 nan 0.000 0.563 266 G N 4.037 112.894 108.800 0.095 0.000 2.284 266 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.230 266 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.230 266 G C 0.214 175.158 174.900 0.074 0.000 1.021 266 G CA -0.254 44.897 45.100 0.086 0.000 0.619 266 G HN 0.630 nan 8.290 nan 0.000 0.510 267 D N 0.719 121.163 120.400 0.073 0.000 2.506 267 D HA 0.188 4.828 4.640 -0.000 0.000 0.234 267 D C 1.435 177.836 176.300 0.168 0.000 1.143 267 D CA 1.302 55.358 54.000 0.094 0.000 0.871 267 D CB 0.384 41.249 40.800 0.108 0.000 1.190 267 D HN 0.733 nan 8.370 nan 0.000 0.459 268 N N 0.670 119.427 118.700 0.095 0.000 2.239 268 N HA 0.005 4.745 4.740 -0.000 0.000 0.208 268 N C 0.258 175.706 175.510 -0.103 0.000 1.200 268 N CA -0.430 52.648 53.050 0.046 0.000 0.895 268 N CB 0.418 38.911 38.487 0.010 0.000 1.085 268 N HN 0.009 nan 8.380 nan 0.000 0.500 269 R N 1.414 121.866 120.500 -0.079 0.000 2.296 269 R HA 0.138 4.478 4.340 -0.000 0.000 0.323 269 R C -1.198 174.942 176.300 -0.268 0.000 1.067 269 R CA -0.185 55.825 56.100 -0.150 0.000 0.946 269 R CB 0.385 30.638 30.300 -0.079 0.000 0.991 269 R HN 0.170 nan 8.270 nan 0.000 0.448 270 D N 5.015 125.114 120.400 -0.501 0.000 2.518 270 D HA 0.086 4.726 4.640 -0.000 0.000 0.230 270 D C 0.228 176.372 176.300 -0.261 0.000 1.138 270 D CA -0.238 53.355 54.000 -0.679 0.000 0.964 270 D CB 0.200 40.263 40.800 -1.228 0.000 1.011 270 D HN 0.609 nan 8.370 nan 0.000 0.517 271 L N 0.422 121.569 121.223 -0.126 0.000 3.406 271 L HA 0.418 4.758 4.340 -0.000 0.000 0.309 271 L C -0.745 176.054 176.870 -0.118 0.000 1.159 271 L CA -0.396 54.373 54.840 -0.119 0.000 1.122 271 L CB 0.124 42.104 42.059 -0.132 0.000 1.633 271 L HN 0.015 nan 8.230 nan 0.000 0.607 272 L N 3.077 124.224 121.223 -0.127 0.000 2.278 272 L HA 0.308 4.648 4.340 -0.000 0.000 0.287 272 L C -0.209 176.516 176.870 -0.241 0.000 1.072 272 L CA -0.489 54.140 54.840 -0.352 0.000 0.819 272 L CB 1.675 43.498 42.059 -0.394 0.000 1.176 272 L HN -0.002 nan 8.230 nan 0.000 0.435 273 V N 3.525 123.331 119.914 -0.180 0.000 2.370 273 V HA 0.216 4.336 4.120 -0.000 0.000 0.279 273 V C 0.162 176.425 176.094 0.281 0.000 1.280 273 V CA -0.385 61.965 62.300 0.083 0.000 1.392 273 V CB -1.025 30.898 31.823 0.168 0.000 1.464 273 V HN 0.711 nan 8.190 nan 0.000 0.525 274 H N -0.015 119.146 119.070 0.152 0.000 2.676 274 H HA 0.210 4.766 4.556 -0.000 0.000 0.352 274 H C 0.435 175.842 175.328 0.130 0.000 1.193 274 H CA -0.812 55.343 56.048 0.178 0.000 1.243 274 H CB 1.993 31.878 29.762 0.206 0.000 1.751 274 H HN 0.458 nan 8.280 nan 0.000 0.567 275 W N 2.101 123.474 121.300 0.122 0.000 2.352 275 W HA -0.250 4.410 4.660 -0.000 0.000 0.322 275 W C 1.994 178.413 176.519 -0.166 0.000 1.208 275 W CA 1.754 59.043 57.345 -0.092 0.000 1.286 275 W CB -1.160 28.194 29.460 -0.177 0.000 1.167 275 W HN 0.702 nan 8.180 nan 0.000 0.469 276 C N 0.845 119.740 119.300 -0.676 0.000 2.363 276 C HA -0.153 4.307 4.460 -0.000 0.000 0.274 276 C C 0.995 175.495 174.990 -0.817 0.000 1.183 276 C CA 1.300 59.771 59.018 -0.911 0.000 1.771 276 C CB -2.129 25.396 27.740 -0.358 0.000 2.059 276 C HN 0.419 nan 8.230 nan 0.000 0.455 277 H N 0.101 119.133 119.070 -0.063 0.000 2.667 277 H HA 0.622 5.178 4.556 -0.000 0.000 0.353 277 H C 0.504 175.810 175.328 -0.037 0.000 1.072 277 H CA 0.508 56.530 56.048 -0.043 0.000 1.214 277 H CB 1.482 31.265 29.762 0.035 0.000 1.600 277 H HN 0.903 nan 8.280 nan 0.000 0.527 278 G N 0.341 109.203 108.800 0.103 0.000 2.422 278 G HA2 0.045 4.005 3.960 -0.000 0.000 0.607 278 G HA3 0.045 4.005 3.960 -0.000 0.000 0.607 278 G C 0.821 175.747 174.900 0.044 0.000 1.270 278 G CA -0.185 44.982 45.100 0.111 0.000 0.992 278 G HN 0.787 nan 8.290 nan 0.000 0.499 279 A N 0.154 123.043 122.820 0.115 0.000 1.884 279 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 279 A C 0.618 178.167 177.584 -0.058 0.000 1.197 279 A CA 3.288 55.349 52.037 0.041 0.000 0.637 279 A CB -1.582 17.508 19.000 0.151 0.000 0.827 279 A HN 0.602 nan 8.150 nan 0.000 0.450 280 P HA -0.067 nan 4.420 nan 0.000 0.223 280 P C 1.323 178.657 177.300 0.056 0.000 1.144 280 P CA 1.683 64.793 63.100 0.017 0.000 0.783 280 P CB -0.224 31.554 31.700 0.129 0.000 0.771 281 G N -1.482 107.261 108.800 -0.095 0.000 2.709 281 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.208 281 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.208 281 G C 1.409 176.203 174.900 -0.177 0.000 1.129 281 G CA 0.034 44.978 45.100 -0.259 0.000 0.793 281 G HN 0.113 nan 8.290 nan 0.000 0.524 282 V N 1.158 120.924 119.914 -0.246 0.000 2.667 282 V HA -0.006 4.114 4.120 -0.000 0.000 0.252 282 V C 2.457 178.400 176.094 -0.251 0.000 1.065 282 V CA 0.973 63.076 62.300 -0.328 0.000 1.083 282 V CB -0.144 31.254 31.823 -0.709 0.000 0.692 282 V HN 0.426 nan 8.190 nan 0.000 0.468 283 I N -0.684 119.733 120.570 -0.255 0.000 2.361 283 I HA -0.299 3.871 4.170 -0.000 0.000 0.251 283 I C 2.298 178.253 176.117 -0.270 0.000 1.133 283 I CA 1.786 62.912 61.300 -0.289 0.000 1.413 283 I CB -0.040 37.720 38.000 -0.400 0.000 1.073 283 I HN 0.325 nan 8.210 nan 0.000 0.424 284 Y N -0.336 119.871 120.300 -0.155 0.000 2.224 284 Y HA -0.296 4.254 4.550 -0.000 0.000 0.289 284 Y C 2.547 178.442 175.900 -0.008 0.000 1.146 284 Y CA 1.625 59.601 58.100 -0.206 0.000 1.182 284 Y CB -0.483 37.661 38.460 -0.528 0.000 0.983 284 Y HN 0.197 nan 8.280 nan 0.000 0.524 285 M N -0.312 119.385 119.600 0.161 0.000 2.099 285 M HA -0.188 4.292 4.480 -0.000 0.000 0.262 285 M C 1.903 178.286 176.300 0.139 0.000 1.067 285 M CA 1.771 57.216 55.300 0.242 0.000 1.124 285 M CB -0.326 32.377 32.600 0.171 0.000 1.353 285 M HN 0.344 nan 8.290 nan 0.000 0.410 286 L N 0.559 121.820 121.223 0.063 0.000 2.012 286 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 286 L C 2.515 179.451 176.870 0.110 0.000 1.073 286 L CA 1.521 56.414 54.840 0.088 0.000 0.748 286 L CB -1.126 40.981 42.059 0.081 0.000 0.891 286 L HN 0.454 nan 8.230 nan 0.000 0.431 287 I N -2.138 118.474 120.570 0.070 0.000 2.286 287 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 287 I C 2.522 178.728 176.117 0.149 0.000 1.115 287 I CA 1.497 62.850 61.300 0.089 0.000 1.392 287 I CB -0.560 37.442 38.000 0.005 0.000 1.065 287 I HN 0.157 nan 8.210 nan 0.000 0.418 288 Q N 1.704 121.599 119.800 0.158 0.000 2.083 288 Q HA -0.015 4.325 4.340 -0.000 0.000 0.198 288 Q C 2.289 178.251 176.000 -0.064 0.000 0.969 288 Q CA 2.181 58.026 55.803 0.070 0.000 0.838 288 Q CB -0.542 28.244 28.738 0.080 0.000 0.900 288 Q HN 0.622 nan 8.270 nan 0.000 0.436 289 A N -0.393 122.378 122.820 -0.081 0.000 1.917 289 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 289 A C 2.032 179.532 177.584 -0.139 0.000 1.182 289 A CA 1.695 53.573 52.037 -0.264 0.000 0.633 289 A CB -1.203 17.437 19.000 -0.599 0.000 0.819 289 A HN 0.647 nan 8.150 nan 0.000 0.448 290 Y N 0.701 120.985 120.300 -0.027 0.000 2.114 290 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 290 Y C 2.303 178.226 175.900 0.037 0.000 1.143 290 Y CA 2.351 60.538 58.100 0.144 0.000 1.135 290 Y CB -0.273 38.287 38.460 0.167 0.000 0.980 290 Y HN 0.283 nan 8.280 nan 0.000 0.499 291 K N -0.787 119.639 120.400 0.043 0.000 2.103 291 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 291 K C 1.841 178.303 176.600 -0.229 0.000 1.048 291 K CA 1.816 58.058 56.287 -0.076 0.000 0.930 291 K CB -0.297 32.187 32.500 -0.028 0.000 0.716 291 K HN 0.255 nan 8.250 nan 0.000 0.444 292 V N -0.314 119.382 119.914 -0.364 0.000 2.535 292 V HA -0.093 4.027 4.120 -0.000 0.000 0.246 292 V C 1.484 177.213 176.094 -0.608 0.000 1.045 292 V CA 1.401 63.341 62.300 -0.599 0.000 1.058 292 V CB -0.334 30.921 31.823 -0.947 0.000 0.689 292 V HN 0.186 nan 8.190 nan 0.000 0.461 293 F N -1.314 118.577 119.950 -0.099 0.000 2.682 293 F HA 0.425 4.952 4.527 -0.000 0.000 0.308 293 F C 0.985 176.768 175.800 -0.028 0.000 1.093 293 F CA -0.610 57.380 58.000 -0.016 0.000 1.244 293 F CB 0.320 39.357 39.000 0.062 0.000 1.052 293 F HN -0.171 nan 8.300 nan 0.000 0.573 294 R N 2.442 122.877 120.500 -0.109 0.000 3.158 294 R HA -0.203 4.137 4.340 -0.000 0.000 0.244 294 R C -0.902 175.342 176.300 -0.094 0.000 0.900 294 R CA 0.592 56.473 56.100 -0.366 0.000 0.618 294 R CB -1.991 28.167 30.300 -0.236 0.000 1.061 294 R HN 0.501 nan 8.270 nan 0.000 0.471 295 E N -0.268 120.007 120.200 0.126 0.000 2.176 295 E HA 0.082 4.432 4.350 -0.000 0.000 0.267 295 E C 0.634 177.402 176.600 0.280 0.000 0.893 295 E CA -0.562 55.946 56.400 0.181 0.000 0.761 295 E CB 1.566 31.323 29.700 0.095 0.000 1.133 295 E HN 0.015 nan 8.360 nan 0.000 0.409 296 E N 3.086 123.408 120.200 0.203 0.000 2.187 296 E HA -0.263 4.087 4.350 -0.000 0.000 0.199 296 E C 1.446 178.111 176.600 0.109 0.000 1.004 296 E CA 1.940 58.461 56.400 0.201 0.000 0.813 296 E CB 0.106 29.862 29.700 0.093 0.000 0.736 296 E HN 0.489 nan 8.360 nan 0.000 0.468 297 K N -1.481 118.901 120.400 -0.030 0.000 2.217 297 K HA -0.123 4.197 4.320 -0.000 0.000 0.202 297 K C 1.915 178.507 176.600 -0.014 0.000 1.051 297 K CA 1.300 57.532 56.287 -0.092 0.000 0.952 297 K CB -0.513 31.862 32.500 -0.210 0.000 0.736 297 K HN 0.211 nan 8.250 nan 0.000 0.453 298 Y N 1.164 121.594 120.300 0.216 0.000 2.092 298 Y HA -0.180 4.370 4.550 -0.000 0.000 0.282 298 Y C 2.406 178.400 175.900 0.158 0.000 1.126 298 Y CA 0.476 58.710 58.100 0.223 0.000 1.111 298 Y CB -0.455 38.196 38.460 0.319 0.000 0.987 298 Y HN -0.027 nan 8.280 nan 0.000 0.489 299 L N 0.228 121.614 121.223 0.273 0.000 2.054 299 L HA -0.325 4.015 4.340 -0.000 0.000 0.220 299 L C 2.564 179.537 176.870 0.172 0.000 1.081 299 L CA 1.905 56.696 54.840 -0.080 0.000 0.780 299 L CB -1.099 40.592 42.059 -0.614 0.000 0.893 299 L HN 0.567 nan 8.230 nan 0.000 0.438 300 C N -0.510 118.871 119.300 0.136 0.000 2.425 300 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 300 C C 2.441 177.532 174.990 0.168 0.000 1.280 300 C CA 1.088 60.173 59.018 0.111 0.000 1.744 300 C CB -1.205 26.554 27.740 0.032 0.000 1.989 300 C HN 0.669 nan 8.230 nan 0.000 0.491 301 D N 0.632 121.134 120.400 0.170 0.000 2.117 301 D HA -0.031 4.609 4.640 -0.000 0.000 0.198 301 D C 2.437 178.843 176.300 0.177 0.000 0.982 301 D CA 1.726 55.840 54.000 0.190 0.000 0.828 301 D CB -0.494 40.445 40.800 0.233 0.000 0.967 301 D HN 0.611 nan 8.370 nan 0.000 0.464 302 A N -0.213 122.685 122.820 0.129 0.000 1.972 302 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 302 A C 2.018 179.570 177.584 -0.053 0.000 1.169 302 A CA 1.074 53.111 52.037 -0.001 0.000 0.635 302 A CB -1.005 17.942 19.000 -0.088 0.000 0.810 302 A HN 0.260 nan 8.150 nan 0.000 0.446 303 Y N -0.382 119.882 120.300 -0.060 0.000 2.224 303 Y HA -0.251 4.299 4.550 -0.000 0.000 0.289 303 Y C 2.750 178.674 175.900 0.041 0.000 1.146 303 Y CA 2.022 60.094 58.100 -0.046 0.000 1.182 303 Y CB -0.290 38.171 38.460 0.001 0.000 0.983 303 Y HN 0.524 nan 8.280 nan 0.000 0.524 304 Q N -0.367 119.571 119.800 0.231 0.000 2.079 304 Q HA -0.167 4.173 4.340 -0.000 0.000 0.200 304 Q C 2.259 178.378 176.000 0.198 0.000 0.974 304 Q CA 2.190 58.116 55.803 0.205 0.000 0.840 304 Q CB -0.784 28.065 28.738 0.185 0.000 0.898 304 Q HN 0.476 nan 8.270 nan 0.000 0.430 305 C N 0.382 119.780 119.300 0.163 0.000 2.388 305 C HA -0.204 4.256 4.460 -0.000 0.000 0.277 305 C C 2.827 177.895 174.990 0.129 0.000 1.210 305 C CA 1.181 60.279 59.018 0.133 0.000 1.743 305 C CB -1.684 26.066 27.740 0.018 0.000 2.047 305 C HN 0.748 nan 8.230 nan 0.000 0.458 306 A N 0.406 123.266 122.820 0.066 0.000 1.927 306 A HA -0.298 4.022 4.320 -0.000 0.000 0.220 306 A C 1.732 179.545 177.584 0.381 0.000 1.185 306 A CA 2.666 54.802 52.037 0.165 0.000 0.639 306 A CB -0.743 18.256 19.000 -0.002 0.000 0.820 306 A HN 0.621 nan 8.150 nan 0.000 0.451 307 D N -0.796 119.793 120.400 0.315 0.000 2.117 307 D HA -0.059 4.581 4.640 -0.000 0.000 0.198 307 D C 2.083 178.599 176.300 0.360 0.000 0.982 307 D CA 1.197 55.411 54.000 0.356 0.000 0.828 307 D CB -0.431 40.538 40.800 0.282 0.000 0.967 307 D HN 0.181 nan 8.370 nan 0.000 0.464 308 V N 1.185 121.291 119.914 0.319 0.000 2.231 308 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 308 V C 2.482 178.805 176.094 0.381 0.000 1.054 308 V CA 1.409 63.927 62.300 0.362 0.000 1.015 308 V CB -0.439 31.582 31.823 0.329 0.000 0.638 308 V HN 0.228 nan 8.190 nan 0.000 0.444 309 I N -1.029 119.748 120.570 0.346 0.000 2.335 309 I HA -0.314 3.856 4.170 -0.000 0.000 0.251 309 I C 2.353 178.818 176.117 0.580 0.000 1.129 309 I CA 1.920 63.431 61.300 0.353 0.000 1.402 309 I CB -0.404 37.656 38.000 0.101 0.000 1.069 309 I HN 0.552 nan 8.210 nan 0.000 0.424 310 W N 1.798 123.346 121.300 0.414 0.000 2.402 310 W HA -0.223 4.437 4.660 -0.000 0.000 0.286 310 W C 2.337 178.977 176.519 0.202 0.000 1.221 310 W CA 1.267 58.840 57.345 0.380 0.000 1.257 310 W CB 0.047 29.637 29.460 0.218 0.000 1.120 310 W HN 0.241 nan 8.180 nan 0.000 0.551 311 Q N -1.258 118.539 119.800 -0.005 0.000 2.302 311 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 311 Q C 0.517 176.138 176.000 -0.632 0.000 0.936 311 Q CA 1.152 56.657 55.803 -0.498 0.000 0.886 311 Q CB -0.032 28.279 28.738 -0.712 0.000 0.986 311 Q HN 0.398 nan 8.270 nan 0.000 0.487 312 Y N -2.888 117.468 120.300 0.094 0.000 2.717 312 Y HA 0.336 4.886 4.550 -0.000 0.000 0.250 312 Y C 1.345 177.290 175.900 0.075 0.000 1.149 312 Y CA -0.236 57.897 58.100 0.055 0.000 1.211 312 Y CB 1.175 39.681 38.460 0.077 0.000 1.289 312 Y HN 0.107 nan 8.280 nan 0.000 0.552 313 G N 0.075 109.035 108.800 0.267 0.000 3.042 313 G HA2 0.117 4.077 3.960 -0.000 0.000 0.212 313 G HA3 0.117 4.077 3.960 -0.000 0.000 0.212 313 G C 0.115 175.021 174.900 0.010 0.000 1.166 313 G CA 0.150 45.422 45.100 0.287 0.000 0.767 313 G HN -0.006 nan 8.290 nan 0.000 0.546 314 L N 2.236 123.303 121.223 -0.260 0.000 2.328 314 L HA 0.421 4.761 4.340 -0.000 0.000 0.280 314 L C 0.256 177.032 176.870 -0.158 0.000 1.111 314 L CA -0.616 53.912 54.840 -0.520 0.000 0.909 314 L CB 0.427 41.879 42.059 -1.012 0.000 1.277 314 L HN 0.011 nan 8.230 nan 0.000 0.433 315 L N 2.544 123.721 121.223 -0.077 0.000 2.395 315 L HA 0.298 4.638 4.340 -0.000 0.000 0.269 315 L C 1.399 178.226 176.870 -0.072 0.000 1.133 315 L CA -0.509 54.296 54.840 -0.058 0.000 0.812 315 L CB 0.483 42.551 42.059 0.017 0.000 1.125 315 L HN 0.492 nan 8.230 nan 0.000 0.452 316 K N 0.828 121.037 120.400 -0.318 0.000 2.439 316 K HA -0.092 4.228 4.320 -0.000 0.000 0.197 316 K C 1.610 178.172 176.600 -0.065 0.000 1.041 316 K CA 0.739 56.834 56.287 -0.321 0.000 0.970 316 K CB 0.022 32.252 32.500 -0.450 0.000 0.773 316 K HN 0.400 nan 8.250 nan 0.000 0.479 317 K N 0.307 120.679 120.400 -0.048 0.000 2.362 317 K HA -0.068 4.252 4.320 -0.000 0.000 0.200 317 K C 0.614 177.185 176.600 -0.048 0.000 1.046 317 K CA 0.758 57.042 56.287 -0.005 0.000 0.952 317 K CB 0.210 32.730 32.500 0.033 0.000 0.753 317 K HN 0.322 nan 8.250 nan 0.000 0.466 318 G N -0.879 107.828 108.800 -0.156 0.000 2.342 318 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 318 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 318 G C -0.515 174.132 174.900 -0.421 0.000 1.243 318 G CA -0.386 44.489 45.100 -0.376 0.000 1.083 318 G HN 0.140 nan 8.290 nan 0.000 0.500 319 Y N 1.445 121.701 120.300 -0.073 0.000 2.555 319 Y HA 0.483 5.033 4.550 -0.000 0.000 0.259 319 Y C 1.945 177.817 175.900 -0.047 0.000 1.179 319 Y CA 0.158 58.235 58.100 -0.038 0.000 1.230 319 Y CB 0.497 38.888 38.460 -0.114 0.000 1.146 319 Y HN 0.791 nan 8.280 nan 0.000 0.526 320 G N -0.018 108.766 108.800 -0.028 0.000 2.653 320 G HA2 0.210 4.170 3.960 -0.000 0.000 0.265 320 G HA3 0.210 4.170 3.960 -0.000 0.000 0.265 320 G C 0.845 175.593 174.900 -0.254 0.000 1.237 320 G CA -0.391 44.613 45.100 -0.161 0.000 0.946 320 G HN 0.249 nan 8.290 nan 0.000 0.522 321 L N -0.768 120.179 121.223 -0.460 0.000 2.049 321 L HA -0.041 4.299 4.340 -0.000 0.000 0.203 321 L C 3.055 179.677 176.870 -0.414 0.000 1.074 321 L CA 0.883 55.328 54.840 -0.657 0.000 0.749 321 L CB -0.528 40.698 42.059 -1.388 0.000 0.907 321 L HN 0.673 nan 8.230 nan 0.000 0.439 322 C N -0.033 119.026 119.300 -0.402 0.000 2.413 322 C HA -0.170 4.290 4.460 -0.000 0.000 0.276 322 C C 1.339 176.492 174.990 0.272 0.000 1.236 322 C CA 0.890 59.980 59.018 0.120 0.000 1.735 322 C CB -0.864 27.028 27.740 0.254 0.000 2.031 322 C HN 0.602 nan 8.230 nan 0.000 0.474 323 H N -1.596 117.482 119.070 0.012 0.000 2.643 323 H HA 0.527 5.083 4.556 -0.000 0.000 0.229 323 H C -0.207 174.994 175.328 -0.212 0.000 1.410 323 H CA 0.190 56.103 56.048 -0.225 0.000 1.458 323 H CB -0.466 28.896 29.762 -0.666 0.000 1.792 323 H HN 0.480 nan 8.280 nan 0.000 0.563 324 G N 0.055 108.814 108.800 -0.068 0.000 2.600 324 G HA2 0.245 4.205 3.960 -0.000 0.000 0.293 324 G HA3 0.245 4.205 3.960 -0.000 0.000 0.293 324 G C 0.147 175.053 174.900 0.010 0.000 1.408 324 G CA -0.363 44.702 45.100 -0.058 0.000 0.782 324 G HN 0.140 nan 8.290 nan 0.000 0.482 325 S N -0.143 115.555 115.700 -0.003 0.000 2.370 325 S HA -0.119 4.351 4.470 -0.000 0.000 0.226 325 S C 2.735 177.379 174.600 0.074 0.000 1.033 325 S CA 2.075 60.290 58.200 0.025 0.000 1.011 325 S CB -0.421 62.771 63.200 -0.014 0.000 0.852 325 S HN 1.084 nan 8.310 nan 0.000 0.457 326 A N 1.784 124.598 122.820 -0.011 0.000 1.858 326 A HA 0.084 4.404 4.320 -0.000 0.000 0.216 326 A C 2.416 179.809 177.584 -0.319 0.000 1.190 326 A CA 1.718 53.567 52.037 -0.314 0.000 0.617 326 A CB -1.579 17.354 19.000 -0.111 0.000 0.827 326 A HN 0.519 nan 8.150 nan 0.000 0.443 327 G N -0.099 108.642 108.800 -0.098 0.000 2.442 327 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 327 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 327 G C 1.369 176.439 174.900 0.283 0.000 1.141 327 G CA 1.243 46.428 45.100 0.143 0.000 0.763 327 G HN 0.528 nan 8.290 nan 0.000 0.554 328 N N 1.178 119.970 118.700 0.152 0.000 2.188 328 N HA -0.035 4.705 4.740 -0.000 0.000 0.184 328 N C 2.422 177.849 175.510 -0.138 0.000 1.018 328 N CA 1.208 54.324 53.050 0.109 0.000 0.858 328 N CB -0.519 38.114 38.487 0.243 0.000 0.989 328 N HN 0.313 nan 8.380 nan 0.000 0.426 329 A N -0.203 122.549 122.820 -0.113 0.000 2.015 329 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 329 A C 1.778 179.261 177.584 -0.169 0.000 1.163 329 A CA 0.782 52.669 52.037 -0.249 0.000 0.646 329 A CB -0.879 18.007 19.000 -0.190 0.000 0.806 329 A HN 0.333 nan 8.150 nan 0.000 0.448 330 Y N -0.046 120.216 120.300 -0.064 0.000 2.384 330 Y HA -0.176 4.374 4.550 -0.000 0.000 0.289 330 Y C 2.711 178.659 175.900 0.080 0.000 1.152 330 Y CA 0.830 59.039 58.100 0.181 0.000 1.258 330 Y CB -0.162 38.548 38.460 0.417 0.000 0.979 330 Y HN 0.389 nan 8.280 nan 0.000 0.549 331 A N -0.296 122.497 122.820 -0.045 0.000 1.930 331 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 331 A C 1.968 179.374 177.584 -0.296 0.000 1.175 331 A CA 1.331 53.172 52.037 -0.326 0.000 0.627 331 A CB -1.156 17.565 19.000 -0.464 0.000 0.815 331 A HN 0.501 nan 8.150 nan 0.000 0.443 332 F N -0.622 119.271 119.950 -0.094 0.000 2.102 332 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 332 F C 2.124 177.921 175.800 -0.005 0.000 1.105 332 F CA 0.391 58.331 58.000 -0.100 0.000 1.239 332 F CB -0.393 38.541 39.000 -0.110 0.000 0.991 332 F HN 0.109 nan 8.300 nan 0.000 0.474 333 L N 0.230 121.602 121.223 0.249 0.000 2.042 333 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 333 L C 2.516 179.534 176.870 0.246 0.000 1.076 333 L CA 1.894 56.891 54.840 0.260 0.000 0.749 333 L CB -1.772 40.438 42.059 0.252 0.000 0.893 333 L HN 0.126 nan 8.230 nan 0.000 0.432 334 T N -0.650 114.003 114.554 0.165 0.000 2.720 334 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 334 T C 1.835 176.519 174.700 -0.027 0.000 1.037 334 T CA 1.292 63.441 62.100 0.083 0.000 1.144 334 T CB -0.194 68.646 68.868 -0.047 0.000 0.864 334 T HN 0.104 nan 8.240 nan 0.000 0.444 335 L N 0.323 121.474 121.223 -0.119 0.000 2.005 335 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 335 L C 2.076 178.873 176.870 -0.121 0.000 1.072 335 L CA 1.749 56.427 54.840 -0.271 0.000 0.744 335 L CB -1.183 40.509 42.059 -0.612 0.000 0.895 335 L HN 0.360 nan 8.230 nan 0.000 0.433 336 Y N 0.855 121.111 120.300 -0.074 0.000 2.102 336 Y HA -0.352 4.198 4.550 -0.000 0.000 0.280 336 Y C 2.182 178.079 175.900 -0.005 0.000 1.178 336 Y CA 2.487 60.595 58.100 0.014 0.000 1.146 336 Y CB -0.797 37.680 38.460 0.030 0.000 0.968 336 Y HN 0.425 nan 8.280 nan 0.000 0.504 337 N N -0.274 118.350 118.700 -0.128 0.000 2.571 337 N HA -0.068 4.672 4.740 -0.000 0.000 0.189 337 N C 1.306 176.730 175.510 -0.143 0.000 1.154 337 N CA 0.566 53.492 53.050 -0.207 0.000 0.907 337 N CB -0.057 38.434 38.487 0.006 0.000 0.977 337 N HN 0.386 nan 8.380 nan 0.000 0.449 338 L N -1.007 120.146 121.223 -0.116 0.000 2.388 338 L HA 0.139 4.479 4.340 -0.000 0.000 0.209 338 L C 2.081 178.908 176.870 -0.073 0.000 1.061 338 L CA 1.266 56.068 54.840 -0.063 0.000 0.834 338 L CB -0.462 41.566 42.059 -0.052 0.000 1.029 338 L HN -0.103 nan 8.230 nan 0.000 0.473 339 T N -2.123 112.366 114.554 -0.109 0.000 3.010 339 T HA 0.034 4.384 4.350 -0.000 0.000 0.252 339 T C 0.975 175.631 174.700 -0.073 0.000 1.047 339 T CA 0.970 63.041 62.100 -0.048 0.000 1.140 339 T CB 0.042 68.914 68.868 0.006 0.000 0.885 339 T HN 0.414 nan 8.240 nan 0.000 0.464 340 Q N 1.061 120.728 119.800 -0.223 0.000 2.424 340 Q HA -0.121 4.219 4.340 -0.000 0.000 0.234 340 Q C -0.565 175.421 176.000 -0.022 0.000 0.748 340 Q CA 0.999 56.645 55.803 -0.262 0.000 1.286 340 Q CB -2.035 26.615 28.738 -0.146 0.000 1.494 340 Q HN 0.578 nan 8.270 nan 0.000 0.683 341 D N 0.003 120.448 120.400 0.076 0.000 2.352 341 D HA 0.068 4.708 4.640 -0.000 0.000 0.245 341 D C 1.128 177.439 176.300 0.019 0.000 1.224 341 D CA -0.081 53.956 54.000 0.062 0.000 0.879 341 D CB 0.469 41.330 40.800 0.102 0.000 1.057 341 D HN 0.082 nan 8.370 nan 0.000 0.491 342 M N 3.187 122.745 119.600 -0.069 0.000 2.435 342 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 342 M C 1.793 177.758 176.300 -0.559 0.000 1.065 342 M CA 0.854 56.078 55.300 -0.127 0.000 1.076 342 M CB -0.644 32.064 32.600 0.180 0.000 1.403 342 M HN 0.483 nan 8.290 nan 0.000 0.454 343 K N 0.349 120.084 120.400 -1.108 0.000 2.074 343 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 343 K C 1.655 177.745 176.600 -0.850 0.000 1.048 343 K CA 1.813 57.294 56.287 -1.343 0.000 0.926 343 K CB -0.103 31.605 32.500 -1.320 0.000 0.713 343 K HN 0.354 nan 8.250 nan 0.000 0.444 344 Y N 0.265 120.381 120.300 -0.306 0.000 2.314 344 Y HA -0.048 4.502 4.550 -0.000 0.000 0.294 344 Y C 2.207 177.929 175.900 -0.297 0.000 1.119 344 Y CA 0.223 58.164 58.100 -0.265 0.000 1.179 344 Y CB -0.015 38.391 38.460 -0.089 0.000 1.025 344 Y HN 0.018 nan 8.280 nan 0.000 0.541 345 L N -0.362 120.647 121.223 -0.356 0.000 2.042 345 L HA -0.312 4.028 4.340 -0.000 0.000 0.210 345 L C 2.408 179.115 176.870 -0.272 0.000 1.076 345 L CA 1.914 56.359 54.840 -0.659 0.000 0.749 345 L CB -0.444 40.770 42.059 -1.408 0.000 0.893 345 L HN 0.380 nan 8.230 nan 0.000 0.432 346 Y N 0.667 120.851 120.300 -0.193 0.000 2.165 346 Y HA -0.303 4.247 4.550 -0.000 0.000 0.286 346 Y C 2.742 178.437 175.900 -0.341 0.000 1.155 346 Y CA 1.779 59.840 58.100 -0.066 0.000 1.164 346 Y CB -0.137 38.365 38.460 0.071 0.000 0.978 346 Y HN 0.066 nan 8.280 nan 0.000 0.513 347 R N -0.049 120.118 120.500 -0.554 0.000 2.066 347 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 347 R C 2.595 178.576 176.300 -0.532 0.000 1.131 347 R CA 1.063 56.607 56.100 -0.926 0.000 0.955 347 R CB -0.717 28.508 30.300 -1.792 0.000 0.851 347 R HN 0.460 nan 8.270 nan 0.000 0.432 348 A N 0.850 123.505 122.820 -0.275 0.000 1.903 348 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 348 A C 2.420 180.116 177.584 0.187 0.000 1.191 348 A CA 1.899 54.032 52.037 0.161 0.000 0.638 348 A CB -1.082 18.037 19.000 0.199 0.000 0.823 348 A HN 0.508 nan 8.150 nan 0.000 0.451 349 C N -0.806 118.450 119.300 -0.073 0.000 2.422 349 C HA -0.037 4.423 4.460 -0.000 0.000 0.279 349 C C 2.683 177.535 174.990 -0.230 0.000 1.305 349 C CA 1.161 60.113 59.018 -0.110 0.000 1.757 349 C CB -0.792 26.633 27.740 -0.525 0.000 1.962 349 C HN 0.494 nan 8.230 nan 0.000 0.499 350 K N 0.024 120.182 120.400 -0.403 0.000 2.167 350 K HA 0.028 4.348 4.320 -0.000 0.000 0.203 350 K C 1.658 178.336 176.600 0.130 0.000 1.052 350 K CA 1.077 57.103 56.287 -0.435 0.000 0.956 350 K CB -0.480 31.734 32.500 -0.476 0.000 0.735 350 K HN 0.407 nan 8.250 nan 0.000 0.451 351 F N 1.624 121.683 119.950 0.182 0.000 2.084 351 F HA -0.102 4.425 4.527 -0.000 0.000 0.296 351 F C 2.494 178.567 175.800 0.455 0.000 1.111 351 F CA 0.788 59.012 58.000 0.373 0.000 1.224 351 F CB -1.224 38.008 39.000 0.388 0.000 0.991 351 F HN -0.002 nan 8.300 nan 0.000 0.471 352 A N -0.234 123.004 122.820 0.696 0.000 1.940 352 A HA -0.346 3.974 4.320 -0.000 0.000 0.221 352 A C 2.124 179.982 177.584 0.456 0.000 1.190 352 A CA 2.319 54.718 52.037 0.603 0.000 0.647 352 A CB -1.050 18.219 19.000 0.448 0.000 0.821 352 A HN 0.374 nan 8.150 nan 0.000 0.457 353 E N -0.988 119.442 120.200 0.385 0.000 2.085 353 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 353 E C 1.808 178.659 176.600 0.418 0.000 0.994 353 E CA 1.383 57.977 56.400 0.324 0.000 0.801 353 E CB -0.357 29.372 29.700 0.049 0.000 0.743 353 E HN 0.765 nan 8.360 nan 0.000 0.453 354 W N 0.010 121.500 121.300 0.317 0.000 2.363 354 W HA -0.204 4.456 4.660 -0.000 0.000 0.296 354 W C 1.502 178.234 176.519 0.354 0.000 1.212 354 W CA 1.380 58.923 57.345 0.330 0.000 1.260 354 W CB -0.320 29.228 29.460 0.147 0.000 1.131 354 W HN 0.171 nan 8.180 nan 0.000 0.530 355 C N 0.452 120.031 119.300 0.466 0.000 2.468 355 C HA -0.066 4.394 4.460 -0.000 0.000 0.277 355 C C 2.595 177.675 174.990 0.150 0.000 1.400 355 C CA 0.339 59.536 59.018 0.298 0.000 1.770 355 C CB -1.383 26.601 27.740 0.407 0.000 1.905 355 C HN 0.229 nan 8.230 nan 0.000 0.519 356 L N 0.908 122.230 121.223 0.166 0.000 2.465 356 L HA -0.055 4.285 4.340 -0.000 0.000 0.224 356 L C 1.738 178.616 176.870 0.014 0.000 1.145 356 L CA 1.237 56.131 54.840 0.090 0.000 0.834 356 L CB -0.630 41.502 42.059 0.121 0.000 0.944 356 L HN 0.526 nan 8.230 nan 0.000 0.451 357 E N -0.689 119.492 120.200 -0.031 0.000 2.394 357 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 357 E C -0.311 176.112 176.600 -0.295 0.000 1.044 357 E CA -0.487 55.795 56.400 -0.198 0.000 0.939 357 E CB 0.036 29.531 29.700 -0.342 0.000 1.089 357 E HN 0.205 nan 8.360 nan 0.000 0.456 358 Y N 1.951 122.007 120.300 -0.406 0.000 2.910 358 Y HA -0.112 4.438 4.550 -0.000 0.000 0.358 358 Y C 1.457 177.110 175.900 -0.412 0.000 1.293 358 Y CA 1.840 59.524 58.100 -0.692 0.000 1.630 358 Y CB -0.158 37.977 38.460 -0.542 0.000 1.178 358 Y HN 0.391 nan 8.280 nan 0.000 0.550 359 G N 4.006 112.648 108.800 -0.264 0.000 2.175 359 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 359 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 359 G C 0.840 175.666 174.900 -0.123 0.000 0.982 359 G CA 0.314 45.398 45.100 -0.027 0.000 0.641 359 G HN 0.599 nan 8.290 nan 0.000 0.527 360 E N -0.059 119.914 120.200 -0.378 0.000 2.340 360 E HA 0.041 4.391 4.350 -0.000 0.000 0.194 360 E C 1.422 177.740 176.600 -0.470 0.000 0.996 360 E CA 0.542 56.660 56.400 -0.470 0.000 0.869 360 E CB -0.109 29.193 29.700 -0.663 0.000 0.835 360 E HN 0.712 nan 8.360 nan 0.000 0.493 361 H N 0.260 119.213 119.070 -0.195 0.000 2.547 361 H HA 0.154 4.710 4.556 -0.000 0.000 0.266 361 H C 1.227 176.562 175.328 0.011 0.000 0.988 361 H CA 0.849 56.745 56.048 -0.253 0.000 1.147 361 H CB 0.491 29.904 29.762 -0.582 0.000 1.365 361 H HN 0.300 nan 8.280 nan 0.000 0.589 362 G N 1.043 109.912 108.800 0.115 0.000 2.147 362 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.244 362 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.244 362 G C 0.280 175.296 174.900 0.193 0.000 1.005 362 G CA 0.155 45.342 45.100 0.145 0.000 0.713 362 G HN 0.425 nan 8.290 nan 0.000 0.515 363 C N 0.949 120.377 119.300 0.214 0.000 2.689 363 C HA 0.531 4.991 4.460 -0.000 0.000 0.409 363 C C 1.555 176.604 174.990 0.098 0.000 1.293 363 C CA -0.376 58.739 59.018 0.163 0.000 2.136 363 C CB 0.150 27.934 27.740 0.073 0.000 2.719 363 C HN 0.902 nan 8.230 nan 0.000 0.644 364 R N 1.357 121.901 120.500 0.072 0.000 2.619 364 R HA 0.117 4.457 4.340 -0.000 0.000 0.268 364 R C -0.355 175.968 176.300 0.038 0.000 0.990 364 R CA 0.459 56.589 56.100 0.051 0.000 1.092 364 R CB -0.218 30.113 30.300 0.052 0.000 0.935 364 R HN 0.679 nan 8.270 nan 0.000 0.415 365 T N 5.239 119.807 114.554 0.022 0.000 2.794 365 T HA 0.246 4.596 4.350 -0.000 0.000 0.296 365 T C -1.882 172.807 174.700 -0.018 0.000 0.949 365 T CA -1.014 61.085 62.100 -0.001 0.000 1.101 365 T CB 0.964 69.819 68.868 -0.021 0.000 0.905 365 T HN 0.597 nan 8.240 nan 0.000 0.516 366 P HA 0.275 nan 4.420 nan 0.000 0.272 366 P C 0.234 177.507 177.300 -0.045 0.000 1.240 366 P CA -0.388 62.699 63.100 -0.022 0.000 0.791 366 P CB 0.787 32.462 31.700 -0.041 0.000 0.978 367 D N -0.702 119.696 120.400 -0.003 0.000 2.097 367 D HA -0.075 4.565 4.640 -0.000 0.000 0.197 367 D C 0.627 176.907 176.300 -0.033 0.000 0.984 367 D CA 1.634 55.633 54.000 -0.003 0.000 0.826 367 D CB -0.620 40.209 40.800 0.048 0.000 0.973 367 D HN 0.472 nan 8.370 nan 0.000 0.460 368 T N -1.297 113.231 114.554 -0.045 0.000 3.145 368 T HA 0.383 4.733 4.350 -0.000 0.000 0.348 368 T C -2.359 172.243 174.700 -0.163 0.000 1.299 368 T CA -1.889 60.165 62.100 -0.076 0.000 1.037 368 T CB 1.603 70.435 68.868 -0.060 0.000 1.122 368 T HN -0.191 nan 8.240 nan 0.000 0.600 369 P HA 0.086 nan 4.420 nan 0.000 0.231 369 P C 0.011 176.839 177.300 -0.787 0.000 1.158 369 P CA 0.603 63.330 63.100 -0.623 0.000 0.763 369 P CB -0.208 30.895 31.700 -0.995 0.000 0.805 370 F N -2.157 117.782 119.950 -0.020 0.000 2.825 370 F HA 0.174 4.701 4.527 -0.000 0.000 0.322 370 F C 1.152 176.902 175.800 -0.083 0.000 1.127 370 F CA -0.546 57.431 58.000 -0.039 0.000 1.164 370 F CB -0.098 38.883 39.000 -0.032 0.000 1.101 370 F HN -0.229 nan 8.300 nan 0.000 0.529 371 S N 0.254 115.953 115.700 -0.002 0.000 2.632 371 S HA 0.239 4.709 4.470 -0.000 0.000 0.267 371 S C 1.075 175.620 174.600 -0.091 0.000 1.276 371 S CA -0.654 57.505 58.200 -0.068 0.000 0.998 371 S CB 1.494 64.624 63.200 -0.116 0.000 0.953 371 S HN 0.186 nan 8.310 nan 0.000 0.547 372 L N 0.336 121.505 121.223 -0.090 0.000 2.012 372 L HA 0.116 4.456 4.340 -0.000 0.000 0.210 372 L C 1.764 178.498 176.870 -0.226 0.000 1.073 372 L CA 1.843 56.624 54.840 -0.098 0.000 0.748 372 L CB -0.934 41.132 42.059 0.012 0.000 0.891 372 L HN 0.851 nan 8.230 nan 0.000 0.431 373 F N -1.308 118.343 119.950 -0.498 0.000 2.656 373 F HA 0.089 4.616 4.527 -0.000 0.000 0.291 373 F C 2.283 177.719 175.800 -0.606 0.000 1.122 373 F CA 0.301 57.902 58.000 -0.665 0.000 1.427 373 F CB 0.274 38.628 39.000 -1.075 0.000 1.125 373 F HN 0.096 nan 8.300 nan 0.000 0.583 374 E N -0.464 119.532 120.200 -0.339 0.000 2.307 374 E HA 0.170 4.520 4.350 -0.000 0.000 0.195 374 E C 1.260 177.754 176.600 -0.178 0.000 0.975 374 E CA 0.325 56.570 56.400 -0.260 0.000 0.878 374 E CB 0.337 29.956 29.700 -0.134 0.000 0.845 374 E HN 0.331 nan 8.360 nan 0.000 0.488 375 G N 0.049 108.766 108.800 -0.139 0.000 3.262 375 G HA2 0.210 4.170 3.960 -0.000 0.000 0.229 375 G HA3 0.210 4.170 3.960 -0.000 0.000 0.229 375 G C 0.440 175.353 174.900 0.022 0.000 1.280 375 G CA -0.501 44.563 45.100 -0.060 0.000 0.951 375 G HN -0.060 nan 8.290 nan 0.000 0.589 376 M N -0.112 119.537 119.600 0.082 0.000 2.106 376 M HA -0.133 4.347 4.480 -0.000 0.000 0.259 376 M C 2.611 178.938 176.300 0.044 0.000 1.068 376 M CA 2.298 57.660 55.300 0.103 0.000 1.100 376 M CB -0.254 32.388 32.600 0.071 0.000 1.351 376 M HN 0.581 nan 8.290 nan 0.000 0.404 377 A N 0.003 122.834 122.820 0.019 0.000 1.917 377 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 377 A C 2.246 179.831 177.584 0.002 0.000 1.182 377 A CA 2.078 54.103 52.037 -0.020 0.000 0.633 377 A CB -1.726 17.246 19.000 -0.048 0.000 0.819 377 A HN 0.639 nan 8.150 nan 0.000 0.448 378 G N -1.181 107.579 108.800 -0.066 0.000 2.421 378 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 378 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 378 G C 1.592 176.519 174.900 0.045 0.000 1.171 378 G CA 1.714 46.729 45.100 -0.142 0.000 0.775 378 G HN 0.451 nan 8.290 nan 0.000 0.543 379 T N 1.589 116.205 114.554 0.104 0.000 2.652 379 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 379 T C 2.378 177.223 174.700 0.242 0.000 1.039 379 T CA 1.302 63.547 62.100 0.242 0.000 1.153 379 T CB -0.238 68.831 68.868 0.335 0.000 0.863 379 T HN 0.262 nan 8.240 nan 0.000 0.428 380 I N -0.166 120.478 120.570 0.123 0.000 2.163 380 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 380 I C 2.252 178.446 176.117 0.128 0.000 1.085 380 I CA 1.665 63.005 61.300 0.066 0.000 1.347 380 I CB -0.466 37.519 38.000 -0.025 0.000 1.044 380 I HN 0.231 nan 8.210 nan 0.000 0.408 381 Y N 0.908 121.233 120.300 0.042 0.000 2.151 381 Y HA -0.392 4.158 4.550 -0.000 0.000 0.284 381 Y C 2.444 178.434 175.900 0.150 0.000 1.166 381 Y CA 2.077 60.224 58.100 0.078 0.000 1.163 381 Y CB -0.272 38.150 38.460 -0.064 0.000 0.974 381 Y HN 0.206 nan 8.280 nan 0.000 0.511 382 F N 0.063 120.192 119.950 0.298 0.000 2.128 382 F HA -0.180 4.347 4.527 -0.000 0.000 0.295 382 F C 1.782 177.619 175.800 0.062 0.000 1.100 382 F CA 1.537 59.643 58.000 0.178 0.000 1.260 382 F CB -0.822 38.207 39.000 0.048 0.000 1.009 382 F HN -0.011 nan 8.300 nan 0.000 0.476 383 L N 0.759 121.823 121.223 -0.266 0.000 1.990 383 L HA -0.276 4.064 4.340 -0.000 0.000 0.213 383 L C 2.926 179.624 176.870 -0.287 0.000 1.072 383 L CA 1.580 56.187 54.840 -0.389 0.000 0.755 383 L CB -1.571 40.421 42.059 -0.111 0.000 0.889 383 L HN 0.330 nan 8.230 nan 0.000 0.432 384 A N -0.313 122.434 122.820 -0.123 0.000 1.908 384 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 384 A C 2.005 179.486 177.584 -0.171 0.000 1.181 384 A CA 2.230 54.176 52.037 -0.152 0.000 0.627 384 A CB -0.681 18.219 19.000 -0.168 0.000 0.818 384 A HN 0.422 nan 8.150 nan 0.000 0.445 385 D N -0.811 119.592 120.400 0.005 0.000 2.178 385 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 385 D C 1.700 177.951 176.300 -0.082 0.000 0.980 385 D CA 0.861 54.924 54.000 0.105 0.000 0.842 385 D CB -0.191 40.779 40.800 0.283 0.000 0.948 385 D HN 0.272 nan 8.370 nan 0.000 0.472 386 L N 0.021 121.063 121.223 -0.301 0.000 2.131 386 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 386 L C 1.850 178.614 176.870 -0.177 0.000 1.092 386 L CA 1.035 55.686 54.840 -0.315 0.000 0.759 386 L CB -0.560 41.169 42.059 -0.550 0.000 0.903 386 L HN 0.042 nan 8.230 nan 0.000 0.435 387 L N -0.787 120.321 121.223 -0.191 0.000 2.089 387 L HA -0.158 4.182 4.340 -0.000 0.000 0.213 387 L C 0.921 177.734 176.870 -0.094 0.000 1.079 387 L CA 1.159 55.907 54.840 -0.153 0.000 0.758 387 L CB -0.753 41.176 42.059 -0.216 0.000 0.891 387 L HN 0.068 nan 8.230 nan 0.000 0.433 388 V N 0.228 120.093 119.914 -0.082 0.000 2.235 388 V HA 0.187 4.307 4.120 -0.000 0.000 0.266 388 V C -1.445 174.658 176.094 0.014 0.000 1.055 388 V CA -0.972 61.310 62.300 -0.030 0.000 0.844 388 V CB 0.870 32.668 31.823 -0.041 0.000 1.097 388 V HN 0.094 nan 8.190 nan 0.000 0.453 389 P HA -0.221 nan 4.420 nan 0.000 0.215 389 P C 2.008 179.405 177.300 0.162 0.000 1.157 389 P CA 1.866 65.001 63.100 0.058 0.000 0.874 389 P CB 0.147 31.835 31.700 -0.020 0.000 0.790 390 T N -1.160 113.495 114.554 0.167 0.000 2.760 390 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 390 T C 1.468 176.235 174.700 0.112 0.000 1.047 390 T CA 1.603 63.787 62.100 0.140 0.000 1.139 390 T CB -0.626 68.292 68.868 0.084 0.000 0.855 390 T HN 0.121 nan 8.240 nan 0.000 0.471 391 K N 0.515 120.977 120.400 0.103 0.000 2.387 391 K HA 0.454 4.774 4.320 -0.000 0.000 0.198 391 K C 0.401 177.097 176.600 0.159 0.000 1.022 391 K CA -0.156 56.194 56.287 0.105 0.000 1.128 391 K CB 0.418 32.961 32.500 0.072 0.000 0.853 391 K HN 0.369 nan 8.250 nan 0.000 0.523 392 A N 1.694 124.630 122.820 0.194 0.000 2.409 392 A HA 0.318 4.638 4.320 -0.000 0.000 0.267 392 A C -0.339 177.461 177.584 0.360 0.000 1.127 392 A CA -0.018 52.191 52.037 0.287 0.000 0.795 392 A CB 0.227 19.384 19.000 0.261 0.000 1.061 392 A HN 0.196 nan 8.150 nan 0.000 0.502 393 R N 1.021 121.751 120.500 0.383 0.000 2.670 393 R HA 0.435 4.775 4.340 -0.000 0.000 0.289 393 R C -0.870 175.505 176.300 0.125 0.000 0.965 393 R CA -0.538 55.747 56.100 0.308 0.000 0.899 393 R CB 1.585 32.009 30.300 0.207 0.000 1.173 393 R HN 0.722 nan 8.270 nan 0.000 0.456 394 F N 5.807 125.579 119.950 -0.296 0.000 2.541 394 F HA 0.197 4.724 4.527 -0.000 0.000 0.378 394 F C -1.743 173.670 175.800 -0.645 0.000 1.068 394 F CA -1.119 56.276 58.000 -1.009 0.000 1.199 394 F CB 0.689 39.235 39.000 -0.757 0.000 1.091 394 F HN 0.343 nan 8.300 nan 0.000 0.555 395 P HA 0.200 nan 4.420 nan 0.000 0.279 395 P C -0.241 176.884 177.300 -0.291 0.000 1.252 395 P CA 0.572 63.348 63.100 -0.540 0.000 0.811 395 P CB 1.559 32.572 31.700 -1.145 0.000 1.035 396 A N 0.137 122.740 122.820 -0.360 0.000 3.132 396 A HA -0.275 4.045 4.320 -0.000 0.000 0.266 396 A C 0.576 177.419 177.584 -1.235 0.000 1.216 396 A CA 1.803 53.280 52.037 -0.933 0.000 0.985 396 A CB -2.816 16.001 19.000 -0.304 0.000 1.102 396 A HN 0.596 nan 8.150 nan 0.000 0.833 397 F N -1.819 117.683 119.950 -0.746 0.000 2.244 397 F HA 0.303 4.830 4.527 -0.000 0.000 0.272 397 F C 1.547 177.377 175.800 0.050 0.000 0.882 397 F CA 1.033 58.831 58.000 -0.338 0.000 1.101 397 F CB -0.347 38.469 39.000 -0.306 0.000 1.097 397 F HN 0.150 nan 8.300 nan 0.000 0.762 398 E N 1.245 121.392 120.200 -0.089 0.000 2.047 398 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 398 E C 0.709 177.297 176.600 -0.020 0.000 0.987 398 E CA 1.308 57.606 56.400 -0.170 0.000 0.799 398 E CB 0.140 29.877 29.700 0.062 0.000 0.752 398 E HN 0.373 nan 8.360 nan 0.000 0.449 399 L N 0.000 121.273 121.223 0.083 0.000 2.949 399 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 399 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 399 L CB 0.000 41.954 42.059 -0.175 0.000 0.961 399 L HN 0.000 nan 8.230 nan 0.000 0.502