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 2yzn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVLLIAGGV SPEHEVSLLS AEGVLRHIPF PTDLAVIAQD GRWLLGEKAL DATA SEQUENCE TALEAKAAPE GEHPFPPPLS WERYDVVFPL LHGRFGEDGT VQGFLELLGK DATA SEQUENCE PYVGAGVAAS ALCMDKDLSK RVLAQAGVPV VPWVAVRKGE PPVVPFDPPF DATA SEQUENCE FVKPANTXXS VGISRVERFQ DLEAALALAF RYDEKAVVEK ALSPVRELEV DATA SEQUENCE GVLGNVFGEA SPVGEVRYEA PFYDYETKYT PGRAELLIPA PLDPGTQETV DATA SEQUENCE QELALKAYKV LGVRGMARVD FFLAEGELYL NELNTIPGFT PTSMYPRLFE DATA SEQUENCE AGGVAYPELL RRLVELALT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.300 55.300 0.000 0.000 0.988 1 M CB 0.000 32.572 32.600 -0.046 0.000 1.302 2 R N 3.463 123.965 120.500 0.003 0.000 2.575 2 R HA 0.911 5.251 4.340 -0.000 0.000 0.293 2 R C -1.931 174.465 176.300 0.160 0.000 0.983 2 R CA -0.695 55.446 56.100 0.069 0.000 0.887 2 R CB 2.050 32.340 30.300 -0.017 0.000 1.184 2 R HN 0.637 nan 8.270 nan 0.000 0.445 3 V N 4.956 124.995 119.914 0.208 0.000 2.581 3 V HA 0.476 4.596 4.120 -0.000 0.000 0.303 3 V C -0.817 175.405 176.094 0.214 0.000 1.041 3 V CA -0.922 61.492 62.300 0.190 0.000 0.907 3 V CB 1.805 33.686 31.823 0.096 0.000 0.994 3 V HN 0.599 nan 8.190 nan 0.000 0.442 4 L N 5.024 126.250 121.223 0.005 0.000 2.305 4 L HA 0.680 5.020 4.340 -0.000 0.000 0.284 4 L C -1.010 175.821 176.870 -0.065 0.000 1.013 4 L CA -0.212 54.459 54.840 -0.281 0.000 0.819 4 L CB 1.392 42.960 42.059 -0.818 0.000 1.227 4 L HN 0.592 nan 8.230 nan 0.000 0.417 5 L N 6.334 127.516 121.223 -0.069 0.000 2.295 5 L HA 0.598 4.938 4.340 -0.000 0.000 0.285 5 L C -0.828 176.004 176.870 -0.065 0.000 1.035 5 L CA 0.029 54.824 54.840 -0.075 0.000 0.806 5 L CB 1.256 43.224 42.059 -0.153 0.000 1.214 5 L HN 0.557 nan 8.230 nan 0.000 0.426 6 I N 5.304 125.848 120.570 -0.042 0.000 2.382 6 I HA 0.644 4.814 4.170 -0.000 0.000 0.285 6 I C -0.147 175.887 176.117 -0.138 0.000 1.007 6 I CA -0.310 60.948 61.300 -0.071 0.000 1.142 6 I CB 1.378 39.384 38.000 0.009 0.000 1.289 6 I HN 0.738 nan 8.210 nan 0.000 0.453 7 A N 4.244 126.956 122.820 -0.179 0.000 2.387 7 A HA 1.015 5.335 4.320 -0.000 0.000 0.298 7 A C 0.361 177.798 177.584 -0.246 0.000 1.165 7 A CA 0.048 51.970 52.037 -0.191 0.000 0.814 7 A CB 1.448 20.352 19.000 -0.161 0.000 1.357 7 A HN 0.971 nan 8.150 nan 0.000 0.443 8 G N -0.833 107.792 108.800 -0.292 0.000 2.936 8 G HA2 0.551 4.511 3.960 -0.000 0.000 0.237 8 G HA3 0.551 4.511 3.960 -0.000 0.000 0.237 8 G C 1.283 176.049 174.900 -0.222 0.000 1.403 8 G CA 0.824 45.635 45.100 -0.481 0.000 1.011 8 G HN 3.129 nan 8.290 nan 0.000 0.568 9 G N -2.528 106.259 108.800 -0.021 0.000 2.663 9 G HA2 0.331 4.291 3.960 -0.000 0.000 0.686 9 G HA3 0.331 4.291 3.960 -0.000 0.000 0.686 9 G C 0.931 175.964 174.900 0.223 0.000 1.246 9 G CA 1.121 46.268 45.100 0.078 0.000 0.795 9 G HN 2.312 nan 8.290 nan 0.000 0.627 10 V N -1.019 118.986 119.914 0.150 0.000 3.306 10 V HA 0.381 4.501 4.120 -0.000 0.000 0.264 10 V C 1.848 177.981 176.094 0.065 0.000 1.149 10 V CA 1.853 64.217 62.300 0.106 0.000 1.143 10 V CB -0.448 31.440 31.823 0.108 0.000 0.767 10 V HN 2.274 nan 8.190 nan 0.000 0.476 11 S N 1.289 117.031 115.700 0.071 0.000 2.606 11 S HA 0.275 4.745 4.470 -0.000 0.000 0.257 11 S C -1.008 173.635 174.600 0.072 0.000 1.327 11 S CA 0.046 58.270 58.200 0.041 0.000 0.984 11 S CB 0.554 63.781 63.200 0.045 0.000 0.941 11 S HN 0.310 nan 8.310 nan 0.000 0.576 12 P HA 0.104 nan 4.420 nan 0.000 0.225 12 P C 0.316 177.657 177.300 0.068 0.000 1.156 12 P CA 0.774 63.902 63.100 0.046 0.000 0.787 12 P CB -0.036 31.672 31.700 0.014 0.000 0.802 13 E N -1.805 118.441 120.200 0.077 0.000 2.416 13 E HA -0.092 4.258 4.350 -0.000 0.000 0.189 13 E C 1.582 178.255 176.600 0.121 0.000 1.091 13 E CA -0.005 56.436 56.400 0.069 0.000 0.889 13 E CB -1.073 28.653 29.700 0.043 0.000 1.015 13 E HN 0.376 nan 8.360 nan 0.000 0.479 14 H N 1.325 120.423 119.070 0.048 0.000 2.265 14 H HA -0.217 4.339 4.556 -0.000 0.000 0.293 14 H C 1.307 176.660 175.328 0.042 0.000 1.089 14 H CA 2.152 58.225 56.048 0.042 0.000 1.244 14 H CB 0.388 30.161 29.762 0.019 0.000 1.355 14 H HN 0.232 nan 8.280 nan 0.000 0.485 15 E N -0.321 119.988 120.200 0.182 0.000 2.085 15 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 15 E C 2.539 179.158 176.600 0.031 0.000 0.994 15 E CA 1.506 57.971 56.400 0.109 0.000 0.801 15 E CB 0.024 29.787 29.700 0.104 0.000 0.743 15 E HN 0.264 nan 8.360 nan 0.000 0.453 16 V N 0.220 120.150 119.914 0.026 0.000 2.515 16 V HA -0.229 3.891 4.120 -0.000 0.000 0.250 16 V C 2.270 178.401 176.094 0.062 0.000 1.058 16 V CA 1.651 63.955 62.300 0.007 0.000 1.064 16 V CB -0.466 31.311 31.823 -0.077 0.000 0.675 16 V HN 0.282 nan 8.190 nan 0.000 0.461 17 S N 0.040 115.797 115.700 0.095 0.000 2.356 17 S HA -0.154 4.316 4.470 -0.000 0.000 0.223 17 S C 1.973 176.572 174.600 -0.002 0.000 1.032 17 S CA 1.631 59.902 58.200 0.118 0.000 1.005 17 S CB -0.294 62.903 63.200 -0.004 0.000 0.867 17 S HN 0.526 nan 8.310 nan 0.000 0.449 18 L N 0.818 121.990 121.223 -0.085 0.000 2.046 18 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 18 L C 2.524 179.389 176.870 -0.010 0.000 1.077 18 L CA 1.202 55.998 54.840 -0.073 0.000 0.747 18 L CB -0.683 41.326 42.059 -0.083 0.000 0.896 18 L HN 0.365 nan 8.230 nan 0.000 0.432 19 L N -0.969 120.266 121.223 0.020 0.000 2.083 19 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 19 L C 2.736 179.654 176.870 0.079 0.000 1.083 19 L CA 0.958 55.825 54.840 0.044 0.000 0.752 19 L CB -0.412 41.673 42.059 0.044 0.000 0.899 19 L HN 0.175 nan 8.230 nan 0.000 0.433 20 S N -0.126 115.639 115.700 0.109 0.000 2.356 20 S HA -0.180 4.290 4.470 -0.000 0.000 0.223 20 S C 2.205 176.865 174.600 0.100 0.000 1.032 20 S CA 1.241 59.550 58.200 0.181 0.000 1.005 20 S CB -0.332 63.028 63.200 0.266 0.000 0.867 20 S HN 0.501 nan 8.310 nan 0.000 0.449 21 A N 1.132 123.954 122.820 0.004 0.000 1.978 21 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 21 A C 1.994 179.554 177.584 -0.039 0.000 1.170 21 A CA 1.781 53.770 52.037 -0.080 0.000 0.636 21 A CB -0.564 18.375 19.000 -0.101 0.000 0.810 21 A HN 0.606 nan 8.150 nan 0.000 0.448 22 E N -0.683 119.521 120.200 0.007 0.000 2.031 22 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 22 E C 2.157 178.787 176.600 0.050 0.000 0.994 22 E CA 1.040 57.449 56.400 0.016 0.000 0.800 22 E CB -0.425 29.292 29.700 0.028 0.000 0.752 22 E HN 0.509 nan 8.360 nan 0.000 0.447 23 G N 0.465 109.350 108.800 0.142 0.000 2.433 23 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.216 23 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.216 23 G C 1.676 176.792 174.900 0.360 0.000 1.186 23 G CA 1.102 46.389 45.100 0.312 0.000 0.779 23 G HN 0.239 nan 8.290 nan 0.000 0.543 24 V N 0.657 120.702 119.914 0.219 0.000 2.282 24 V HA -0.171 3.949 4.120 -0.000 0.000 0.249 24 V C 2.767 178.813 176.094 -0.081 0.000 1.057 24 V CA 1.673 63.959 62.300 -0.023 0.000 1.032 24 V CB -0.535 31.101 31.823 -0.311 0.000 0.645 24 V HN 0.285 nan 8.190 nan 0.000 0.447 25 L N -0.357 120.819 121.223 -0.079 0.000 2.191 25 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 25 L C 2.467 179.279 176.870 -0.096 0.000 1.103 25 L CA 1.778 56.571 54.840 -0.079 0.000 0.769 25 L CB -0.688 41.332 42.059 -0.066 0.000 0.908 25 L HN 0.208 nan 8.230 nan 0.000 0.438 26 R N -2.077 118.327 120.500 -0.160 0.000 2.240 26 R HA 0.012 4.352 4.340 -0.000 0.000 0.203 26 R C 1.098 177.087 176.300 -0.518 0.000 1.011 26 R CA 0.707 56.594 56.100 -0.355 0.000 1.007 26 R CB 0.023 30.027 30.300 -0.495 0.000 0.911 26 R HN 0.511 nan 8.270 nan 0.000 0.468 27 H N -1.297 117.808 119.070 0.059 0.000 3.170 27 H HA 0.116 4.672 4.556 0.000 0.000 0.264 27 H C 0.129 175.408 175.328 -0.081 0.000 1.113 27 H CA -0.625 55.432 56.048 0.016 0.000 1.194 27 H CB 0.347 30.176 29.762 0.111 0.000 1.553 27 H HN 0.006 nan 8.280 nan 0.000 0.538 28 I N 6.059 126.622 120.570 -0.013 0.000 2.741 28 I HA -0.009 4.161 4.170 -0.000 0.000 0.288 28 I C -1.624 174.489 176.117 -0.008 0.000 1.192 28 I CA -1.583 59.721 61.300 0.006 0.000 1.426 28 I CB 0.776 38.806 38.000 0.050 0.000 1.367 28 I HN -0.098 nan 8.210 nan 0.000 0.563 29 P HA 0.182 nan 4.420 nan 0.000 0.235 29 P C -1.135 175.792 177.300 -0.621 0.000 1.725 29 P CA 0.277 63.169 63.100 -0.346 0.000 0.894 29 P CB -0.667 30.762 31.700 -0.452 0.000 1.704 30 F N -0.587 119.376 119.950 0.021 0.000 2.654 30 F HA 0.392 4.919 4.527 0.000 0.000 0.308 30 F C -2.433 173.386 175.800 0.031 0.000 1.108 30 F CA -2.674 55.343 58.000 0.029 0.000 0.957 30 F CB 1.298 40.324 39.000 0.042 0.000 1.309 30 F HN -0.288 nan 8.300 nan 0.000 0.446 31 P HA 0.218 nan 4.420 nan 0.000 0.267 31 P C -0.956 176.443 177.300 0.166 0.000 1.209 31 P CA 0.206 63.395 63.100 0.148 0.000 0.763 31 P CB 0.714 32.480 31.700 0.110 0.000 0.816 32 T N 2.760 117.394 114.554 0.133 0.000 2.886 32 T HA 0.338 4.688 4.350 -0.000 0.000 0.292 32 T C -0.784 173.987 174.700 0.118 0.000 1.012 32 T CA -0.598 61.583 62.100 0.135 0.000 0.982 32 T CB 1.261 70.184 68.868 0.091 0.000 1.018 32 T HN 0.192 nan 8.240 nan 0.000 0.451 33 D N 1.564 122.064 120.400 0.167 0.000 2.272 33 D HA 0.591 5.231 4.640 -0.000 0.000 0.247 33 D C -0.717 175.602 176.300 0.031 0.000 0.990 33 D CA -0.534 53.549 54.000 0.138 0.000 0.931 33 D CB 2.000 42.981 40.800 0.302 0.000 1.195 33 D HN 0.249 nan 8.370 nan 0.000 0.477 34 L N 0.745 121.977 121.223 0.015 0.000 2.346 34 L HA 0.700 5.040 4.340 -0.000 0.000 0.276 34 L C -1.239 175.626 176.870 -0.009 0.000 1.006 34 L CA -0.555 54.273 54.840 -0.020 0.000 0.817 34 L CB 1.574 43.620 42.059 -0.022 0.000 1.272 34 L HN 0.428 nan 8.230 nan 0.000 0.421 35 A N 4.573 127.383 122.820 -0.018 0.000 2.355 35 A HA 0.831 5.151 4.320 -0.000 0.000 0.317 35 A C -1.502 176.048 177.584 -0.057 0.000 1.094 35 A CA -0.542 51.520 52.037 0.040 0.000 0.764 35 A CB 1.656 20.744 19.000 0.147 0.000 1.230 35 A HN 0.520 nan 8.150 nan 0.000 0.448 36 V N 3.399 123.276 119.914 -0.062 0.000 2.656 36 V HA 0.402 4.522 4.120 -0.000 0.000 0.307 36 V C -0.514 175.401 176.094 -0.297 0.000 1.051 36 V CA -0.323 61.878 62.300 -0.165 0.000 0.893 36 V CB 1.857 33.642 31.823 -0.064 0.000 0.999 36 V HN 0.777 nan 8.190 nan 0.000 0.426 37 I N 4.491 124.803 120.570 -0.431 0.000 2.306 37 I HA 0.507 4.677 4.170 -0.000 0.000 0.288 37 I C 0.819 176.891 176.117 -0.076 0.000 1.036 37 I CA -0.230 60.782 61.300 -0.480 0.000 1.221 37 I CB 1.376 39.026 38.000 -0.584 0.000 1.385 37 I HN 0.731 nan 8.210 nan 0.000 0.472 38 A N 5.363 128.193 122.820 0.017 0.000 2.386 38 A HA 0.135 4.455 4.320 -0.000 0.000 0.246 38 A C 1.121 178.743 177.584 0.064 0.000 1.089 38 A CA -0.026 52.075 52.037 0.106 0.000 0.790 38 A CB 0.342 19.379 19.000 0.061 0.000 1.042 38 A HN 0.817 nan 8.150 nan 0.000 0.497 39 Q N -0.049 119.697 119.800 -0.089 0.000 2.234 39 Q HA -0.186 4.154 4.340 -0.000 0.000 0.206 39 Q C 0.926 176.915 176.000 -0.018 0.000 0.980 39 Q CA 1.555 57.282 55.803 -0.126 0.000 0.869 39 Q CB -0.157 28.403 28.738 -0.298 0.000 0.912 39 Q HN 0.922 nan 8.270 nan 0.000 0.436 40 D N -1.105 119.297 120.400 0.003 0.000 2.363 40 D HA -0.026 4.614 4.640 -0.000 0.000 0.226 40 D C 1.151 177.501 176.300 0.084 0.000 1.020 40 D CA 0.985 55.008 54.000 0.037 0.000 0.892 40 D CB -0.023 40.797 40.800 0.034 0.000 0.900 40 D HN 0.312 nan 8.370 nan 0.000 0.531 41 G N 0.090 108.952 108.800 0.103 0.000 2.175 41 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 41 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 41 G C 0.196 175.248 174.900 0.255 0.000 0.982 41 G CA -0.136 45.060 45.100 0.162 0.000 0.641 41 G HN 0.452 nan 8.290 nan 0.000 0.527 42 R N -0.740 119.895 120.500 0.225 0.000 2.428 42 R HA 0.507 4.847 4.340 -0.000 0.000 0.294 42 R C -0.261 176.260 176.300 0.368 0.000 1.000 42 R CA -0.722 55.577 56.100 0.331 0.000 0.960 42 R CB 0.783 31.201 30.300 0.196 0.000 1.076 42 R HN 0.165 nan 8.270 nan 0.000 0.475 43 W N 2.655 124.038 121.300 0.138 0.000 2.237 43 W HA 0.339 4.999 4.660 0.001 0.000 0.335 43 W C -0.055 176.541 176.519 0.128 0.000 1.230 43 W CA -0.259 57.167 57.345 0.136 0.000 1.253 43 W CB 0.314 29.858 29.460 0.139 0.000 1.129 43 W HN 0.222 nan 8.180 nan 0.000 0.590 44 L N 3.353 124.759 121.223 0.304 0.000 2.356 44 L HA 0.522 4.862 4.340 -0.000 0.000 0.277 44 L C -0.262 176.728 176.870 0.201 0.000 0.996 44 L CA -0.745 54.215 54.840 0.198 0.000 0.822 44 L CB 0.945 43.065 42.059 0.102 0.000 1.256 44 L HN 0.221 nan 8.230 nan 0.000 0.413 45 L N 1.227 122.565 121.223 0.191 0.000 2.260 45 L HA 0.742 5.082 4.340 -0.000 0.000 0.265 45 L C 1.200 178.122 176.870 0.087 0.000 1.015 45 L CA -0.504 54.415 54.840 0.132 0.000 0.826 45 L CB 1.435 43.560 42.059 0.109 0.000 1.373 45 L HN 0.776 nan 8.230 nan 0.000 0.450 46 G N 0.236 109.073 108.800 0.062 0.000 2.661 46 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.327 46 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.327 46 G C 0.846 175.771 174.900 0.043 0.000 1.320 46 G CA 0.658 45.787 45.100 0.050 0.000 0.997 46 G HN 0.713 nan 8.290 nan 0.000 0.543 47 E N 0.262 120.485 120.200 0.037 0.000 2.085 47 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 47 E C 2.697 179.316 176.600 0.030 0.000 0.994 47 E CA 1.387 57.805 56.400 0.029 0.000 0.801 47 E CB -0.259 29.456 29.700 0.024 0.000 0.743 47 E HN 0.437 nan 8.360 nan 0.000 0.453 48 K N 0.509 120.932 120.400 0.038 0.000 2.063 48 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 48 K C 2.035 178.657 176.600 0.038 0.000 1.048 48 K CA 1.070 57.379 56.287 0.037 0.000 0.928 48 K CB -0.532 31.994 32.500 0.043 0.000 0.713 48 K HN 0.098 nan 8.250 nan 0.000 0.442 49 A N 1.320 124.166 122.820 0.044 0.000 1.841 49 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 49 A C 2.268 179.862 177.584 0.017 0.000 1.199 49 A CA 1.632 53.688 52.037 0.032 0.000 0.621 49 A CB -0.822 18.198 19.000 0.034 0.000 0.835 49 A HN 0.176 nan 8.150 nan 0.000 0.445 50 L N -0.138 121.095 121.223 0.016 0.000 2.129 50 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 50 L C 2.678 179.555 176.870 0.011 0.000 1.087 50 L CA 2.323 57.168 54.840 0.009 0.000 0.757 50 L CB -1.038 41.028 42.059 0.011 0.000 0.896 50 L HN 0.401 nan 8.230 nan 0.000 0.434 51 T N -0.990 113.574 114.554 0.017 0.000 2.904 51 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 51 T C 2.008 176.721 174.700 0.020 0.000 1.059 51 T CA 1.023 63.133 62.100 0.017 0.000 1.137 51 T CB -0.246 68.633 68.868 0.018 0.000 0.879 51 T HN 0.422 nan 8.240 nan 0.000 0.467 52 A N 1.311 124.146 122.820 0.024 0.000 1.933 52 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 52 A C 2.191 179.793 177.584 0.030 0.000 1.175 52 A CA 1.083 53.141 52.037 0.033 0.000 0.628 52 A CB -0.780 18.245 19.000 0.041 0.000 0.814 52 A HN 0.387 nan 8.150 nan 0.000 0.444 53 L N 0.176 121.408 121.223 0.014 0.000 2.042 53 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 53 L C 2.368 179.245 176.870 0.012 0.000 1.076 53 L CA 2.575 57.418 54.840 0.005 0.000 0.749 53 L CB -0.558 41.497 42.059 -0.006 0.000 0.893 53 L HN 0.637 nan 8.230 nan 0.000 0.432 54 E N -0.799 119.409 120.200 0.013 0.000 2.118 54 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 54 E C 1.874 178.485 176.600 0.019 0.000 0.992 54 E CA 1.181 57.589 56.400 0.014 0.000 0.804 54 E CB -0.111 29.597 29.700 0.013 0.000 0.741 54 E HN 0.571 nan 8.360 nan 0.000 0.458 55 A N 0.477 123.311 122.820 0.023 0.000 2.169 55 A HA 0.020 4.340 4.320 -0.000 0.000 0.212 55 A C 0.178 177.784 177.584 0.035 0.000 1.153 55 A CA 0.137 52.190 52.037 0.027 0.000 0.756 55 A CB 0.152 19.169 19.000 0.027 0.000 0.813 55 A HN 0.112 nan 8.150 nan 0.000 0.471 56 K N -1.170 119.253 120.400 0.039 0.000 4.361 56 K HA -0.106 4.214 4.320 -0.000 0.000 0.294 56 K C -0.271 176.379 176.600 0.083 0.000 0.970 56 K CA 0.994 57.311 56.287 0.050 0.000 0.913 56 K CB -2.523 30.000 32.500 0.039 0.000 1.583 56 K HN 1.847 nan 8.250 nan 0.000 0.438 57 A N -0.839 122.059 122.820 0.130 0.000 0.798 57 A HA 0.448 4.768 4.320 -0.000 0.000 0.213 57 A C -0.644 177.036 177.584 0.160 0.000 0.603 57 A CA -0.160 51.996 52.037 0.199 0.000 0.435 57 A CB -0.441 18.615 19.000 0.092 0.000 0.790 57 A HN 1.130 nan 8.150 nan 0.000 0.334 58 A N 4.940 127.923 122.820 0.272 0.000 2.540 58 A HA 0.770 5.090 4.320 -0.000 0.000 0.340 58 A C -1.499 176.072 177.584 -0.020 0.000 1.424 58 A CA -1.493 50.619 52.037 0.124 0.000 0.940 58 A CB 0.102 19.208 19.000 0.177 0.000 1.149 58 A HN 0.432 nan 8.150 nan 0.000 0.505 59 P HA -0.101 nan 4.420 nan 0.000 0.215 59 P C 0.137 177.411 177.300 -0.044 0.000 1.157 59 P CA 1.350 64.403 63.100 -0.078 0.000 0.863 59 P CB 0.301 31.975 31.700 -0.042 0.000 0.787 60 E N -1.202 118.994 120.200 -0.008 0.000 2.312 60 E HA 0.583 4.933 4.350 -0.000 0.000 0.267 60 E C -0.223 176.395 176.600 0.030 0.000 0.894 60 E CA -0.936 55.471 56.400 0.011 0.000 0.773 60 E CB 1.981 31.685 29.700 0.006 0.000 1.241 60 E HN -0.054 nan 8.360 nan 0.000 0.432 61 G N 0.229 109.058 108.800 0.048 0.000 2.735 61 G HA2 0.283 4.243 3.960 -0.000 0.000 0.301 61 G HA3 0.283 4.243 3.960 -0.000 0.000 0.301 61 G C -0.067 174.847 174.900 0.024 0.000 1.279 61 G CA -0.350 44.790 45.100 0.067 0.000 1.019 61 G HN 0.535 nan 8.290 nan 0.000 0.497 62 E N -1.155 119.034 120.200 -0.020 0.000 2.372 62 E HA 0.066 4.416 4.350 -0.000 0.000 0.201 62 E C -0.272 176.153 176.600 -0.292 0.000 0.938 62 E CA 0.172 56.451 56.400 -0.202 0.000 0.944 62 E CB 0.403 29.888 29.700 -0.359 0.000 0.937 62 E HN 0.378 nan 8.360 nan 0.000 0.495 63 H N 0.986 120.122 119.070 0.110 0.000 2.539 63 H HA 0.325 4.881 4.556 -0.001 0.000 0.332 63 H C -2.425 172.962 175.328 0.099 0.000 1.031 63 H CA -2.460 53.632 56.048 0.073 0.000 1.206 63 H CB 1.222 30.997 29.762 0.022 0.000 1.446 63 H HN -0.043 nan 8.280 nan 0.000 0.496 64 P HA -0.041 nan 4.420 nan 0.000 0.270 64 P C -0.036 177.316 177.300 0.086 0.000 1.223 64 P CA -0.177 63.016 63.100 0.156 0.000 0.785 64 P CB 0.541 32.302 31.700 0.101 0.000 0.923 65 F N 3.464 123.394 119.950 -0.034 0.000 2.471 65 F HA 0.342 4.869 4.527 0.000 0.000 0.353 65 F C -1.735 173.943 175.800 -0.204 0.000 1.113 65 F CA -1.690 56.186 58.000 -0.208 0.000 1.262 65 F CB -0.016 38.899 39.000 -0.142 0.000 1.146 65 F HN 0.232 nan 8.300 nan 0.000 0.578 66 P HA 0.280 nan 4.420 nan 0.000 0.284 66 P C -2.888 173.891 177.300 -0.869 0.000 1.253 66 P CA -1.487 60.580 63.100 -1.722 0.000 0.800 66 P CB 0.822 31.624 31.700 -1.496 0.000 0.961 67 P HA 0.127 nan 4.420 nan 0.000 0.269 67 P C -2.249 174.733 177.300 -0.530 0.000 1.209 67 P CA -1.381 61.272 63.100 -0.745 0.000 0.776 67 P CB -0.395 30.661 31.700 -1.074 0.000 0.876 68 P HA 0.272 nan 4.420 nan 0.000 0.231 68 P C -0.508 176.538 177.300 -0.423 0.000 1.811 68 P CA 0.120 62.967 63.100 -0.422 0.000 1.051 68 P CB 0.041 31.465 31.700 -0.459 0.000 1.951 69 L N 0.879 121.773 121.223 -0.550 0.000 2.331 69 L HA 0.326 4.666 4.340 -0.000 0.000 0.275 69 L C 0.724 177.231 176.870 -0.605 0.000 1.022 69 L CA -0.663 53.779 54.840 -0.663 0.000 0.812 69 L CB 1.666 43.003 42.059 -1.202 0.000 1.257 69 L HN 0.011 nan 8.230 nan 0.000 0.435 70 S N 1.474 116.992 115.700 -0.303 0.000 3.483 70 S HA 0.039 4.509 4.470 -0.000 0.000 0.274 70 S C 0.633 175.248 174.600 0.024 0.000 1.289 70 S CA -0.507 57.615 58.200 -0.130 0.000 0.938 70 S CB -0.216 62.939 63.200 -0.074 0.000 1.453 70 S HN 0.535 nan 8.310 nan 0.000 0.494 71 W N 1.638 123.014 121.300 0.127 0.000 2.325 71 W HA -0.193 4.467 4.660 -0.001 0.000 0.299 71 W C 1.755 178.383 176.519 0.181 0.000 1.215 71 W CA 0.792 58.240 57.345 0.172 0.000 1.244 71 W CB -0.358 29.110 29.460 0.013 0.000 1.140 71 W HN 0.527 nan 8.180 nan 0.000 0.523 72 E N 0.411 120.772 120.200 0.267 0.000 2.219 72 E HA -0.205 4.145 4.350 -0.000 0.000 0.198 72 E C 1.657 178.267 176.600 0.016 0.000 0.998 72 E CA 1.255 57.726 56.400 0.118 0.000 0.818 72 E CB -0.491 29.242 29.700 0.055 0.000 0.741 72 E HN 0.288 nan 8.360 nan 0.000 0.477 73 R N -0.407 120.029 120.500 -0.105 0.000 2.339 73 R HA 0.027 4.367 4.340 -0.000 0.000 0.199 73 R C -0.325 175.598 176.300 -0.627 0.000 1.018 73 R CA 0.466 56.304 56.100 -0.436 0.000 1.036 73 R CB 0.033 29.902 30.300 -0.717 0.000 0.899 73 R HN 0.219 nan 8.270 nan 0.000 0.473 74 Y N -1.536 118.796 120.300 0.052 0.000 2.499 74 Y HA 0.227 4.777 4.550 -0.000 0.000 0.347 74 Y C 0.609 176.530 175.900 0.036 0.000 0.987 74 Y CA -1.311 56.819 58.100 0.050 0.000 1.044 74 Y CB 1.553 40.067 38.460 0.090 0.000 1.245 74 Y HN -0.182 nan 8.280 nan 0.000 0.461 75 D N 0.655 121.144 120.400 0.149 0.000 2.240 75 D HA 0.024 4.664 4.640 -0.000 0.000 0.206 75 D C -0.349 175.973 176.300 0.038 0.000 0.963 75 D CA 1.137 55.167 54.000 0.051 0.000 0.863 75 D CB 1.190 41.975 40.800 -0.025 0.000 0.973 75 D HN 0.230 nan 8.370 nan 0.000 0.501 76 V N 0.866 120.816 119.914 0.061 0.000 2.851 76 V HA 0.315 4.435 4.120 -0.000 0.000 0.307 76 V C -1.424 174.722 176.094 0.087 0.000 1.129 76 V CA -0.689 61.630 62.300 0.032 0.000 0.932 76 V CB 2.379 34.164 31.823 -0.063 0.000 1.024 76 V HN -0.236 nan 8.190 nan 0.000 0.426 77 V N 7.164 127.144 119.914 0.110 0.000 2.370 77 V HA 0.450 4.570 4.120 -0.000 0.000 0.279 77 V C -0.406 175.796 176.094 0.179 0.000 1.029 77 V CA -0.349 62.037 62.300 0.142 0.000 0.870 77 V CB 1.270 33.186 31.823 0.154 0.000 0.984 77 V HN 0.766 nan 8.190 nan 0.000 0.451 78 F N 9.125 129.073 119.950 -0.002 0.000 2.303 78 F HA 0.536 5.063 4.527 -0.000 0.000 0.368 78 F C -2.213 173.559 175.800 -0.047 0.000 1.105 78 F CA -3.448 54.529 58.000 -0.037 0.000 1.153 78 F CB 1.207 40.154 39.000 -0.087 0.000 1.362 78 F HN 0.323 nan 8.300 nan 0.000 0.511 79 P HA 0.173 nan 4.420 nan 0.000 0.287 79 P C -0.257 177.124 177.300 0.135 0.000 1.307 79 P CA -0.034 63.163 63.100 0.161 0.000 0.777 79 P CB 1.400 33.142 31.700 0.070 0.000 0.883 80 L N 4.566 125.783 121.223 -0.011 0.000 3.084 80 L HA 0.305 4.645 4.340 -0.000 0.000 0.238 80 L C 0.183 176.892 176.870 -0.268 0.000 1.327 80 L CA -0.240 54.528 54.840 -0.120 0.000 1.094 80 L CB -0.193 41.766 42.059 -0.168 0.000 1.477 80 L HN 0.236 nan 8.230 nan 0.000 0.514 81 L N -0.639 120.431 121.223 -0.255 0.000 2.317 81 L HA 0.486 4.826 4.340 -0.000 0.000 0.281 81 L C -0.055 176.610 176.870 -0.342 0.000 1.024 81 L CA -0.710 53.980 54.840 -0.251 0.000 0.810 81 L CB 1.264 43.267 42.059 -0.094 0.000 1.240 81 L HN 0.151 nan 8.230 nan 0.000 0.427 82 H N 1.381 120.467 119.070 0.026 0.000 2.533 82 H HA 0.538 5.094 4.556 0.000 0.000 0.343 82 H C 0.562 175.901 175.328 0.018 0.000 1.160 82 H CA 0.284 56.348 56.048 0.027 0.000 1.218 82 H CB 1.906 31.682 29.762 0.023 0.000 1.566 82 H HN 0.815 nan 8.280 nan 0.000 0.522 83 G N 1.718 110.590 108.800 0.121 0.000 2.552 83 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.265 83 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.265 83 G C 0.190 175.101 174.900 0.019 0.000 1.234 83 G CA -0.064 45.066 45.100 0.050 0.000 0.944 83 G HN 0.736 nan 8.290 nan 0.000 0.568 84 R N 0.313 120.784 120.500 -0.047 0.000 2.523 84 R HA 0.127 4.467 4.340 -0.000 0.000 0.281 84 R C 0.506 176.780 176.300 -0.043 0.000 0.969 84 R CA 0.928 56.936 56.100 -0.154 0.000 1.093 84 R CB -0.906 29.178 30.300 -0.361 0.000 0.917 84 R HN 0.996 nan 8.270 nan 0.000 0.408 85 F N 2.080 122.022 119.950 -0.013 0.000 2.969 85 F HA -0.319 4.208 4.527 0.000 0.000 0.273 85 F C 1.044 176.829 175.800 -0.025 0.000 0.986 85 F CA 0.194 58.177 58.000 -0.028 0.000 0.926 85 F CB -1.345 37.634 39.000 -0.036 0.000 0.887 85 F HN 0.897 nan 8.300 nan 0.000 0.816 86 G N -0.077 108.810 108.800 0.145 0.000 3.408 86 G HA2 0.105 4.065 3.960 -0.000 0.000 0.214 86 G HA3 0.105 4.065 3.960 -0.000 0.000 0.214 86 G C 0.492 175.407 174.900 0.026 0.000 1.557 86 G CA 0.306 45.439 45.100 0.054 0.000 0.801 86 G HN 0.357 nan 8.290 nan 0.000 0.883 87 E N 0.765 120.989 120.200 0.039 0.000 2.601 87 E HA 0.105 4.455 4.350 -0.000 0.000 0.219 87 E C 0.725 177.344 176.600 0.031 0.000 0.964 87 E CA 0.420 56.837 56.400 0.029 0.000 1.050 87 E CB 0.750 30.470 29.700 0.033 0.000 1.068 87 E HN 0.442 nan 8.360 nan 0.000 0.496 88 D N 0.015 120.445 120.400 0.051 0.000 2.349 88 D HA 0.008 4.648 4.640 -0.000 0.000 0.224 88 D C 1.378 177.708 176.300 0.050 0.000 1.029 88 D CA 0.784 54.816 54.000 0.054 0.000 0.879 88 D CB 0.086 40.935 40.800 0.081 0.000 0.906 88 D HN 0.168 nan 8.370 nan 0.000 0.528 89 G N -0.106 108.715 108.800 0.035 0.000 2.141 89 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.242 89 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.242 89 G C 1.085 175.986 174.900 0.001 0.000 0.982 89 G CA 1.044 46.150 45.100 0.010 0.000 0.662 89 G HN 0.579 nan 8.290 nan 0.000 0.527 90 T N -2.460 112.106 114.554 0.020 0.000 2.814 90 T HA 0.107 4.457 4.350 -0.000 0.000 0.254 90 T C 2.273 176.950 174.700 -0.038 0.000 1.037 90 T CA 1.857 63.941 62.100 -0.026 0.000 1.143 90 T CB -0.343 68.477 68.868 -0.079 0.000 0.866 90 T HN 0.522 nan 8.240 nan 0.000 0.431 91 V N 2.048 121.948 119.914 -0.023 0.000 2.407 91 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 91 V C 2.919 178.967 176.094 -0.077 0.000 1.055 91 V CA 1.829 64.159 62.300 0.050 0.000 1.049 91 V CB -1.044 30.821 31.823 0.070 0.000 0.662 91 V HN 0.383 nan 8.190 nan 0.000 0.455 92 Q N 0.709 120.384 119.800 -0.208 0.000 2.084 92 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 92 Q C 2.392 178.221 176.000 -0.286 0.000 0.978 92 Q CA 1.927 57.437 55.803 -0.490 0.000 0.844 92 Q CB -0.950 27.597 28.738 -0.319 0.000 0.898 92 Q HN 0.654 nan 8.270 nan 0.000 0.426 93 G N -0.411 108.330 108.800 -0.097 0.000 2.422 93 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 93 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 93 G C 1.284 176.191 174.900 0.011 0.000 1.146 93 G CA 0.527 45.611 45.100 -0.025 0.000 0.769 93 G HN 0.431 nan 8.290 nan 0.000 0.547 94 F N 0.935 120.810 119.950 -0.124 0.000 2.134 94 F HA 0.001 4.528 4.527 -0.000 0.000 0.299 94 F C 2.376 178.061 175.800 -0.192 0.000 1.097 94 F CA 0.894 58.837 58.000 -0.094 0.000 1.264 94 F CB 0.004 39.011 39.000 0.011 0.000 1.001 94 F HN 0.040 nan 8.300 nan 0.000 0.479 95 L N 0.300 121.251 121.223 -0.453 0.000 2.131 95 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 95 L C 2.439 179.107 176.870 -0.336 0.000 1.092 95 L CA 0.915 55.401 54.840 -0.591 0.000 0.759 95 L CB -0.681 41.057 42.059 -0.534 0.000 0.903 95 L HN 0.177 nan 8.230 nan 0.000 0.435 96 E N -0.003 120.094 120.200 -0.172 0.000 2.072 96 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 96 E C 2.279 178.808 176.600 -0.119 0.000 0.985 96 E CA 0.960 57.328 56.400 -0.055 0.000 0.801 96 E CB -0.142 29.561 29.700 0.005 0.000 0.750 96 E HN 0.299 nan 8.360 nan 0.000 0.452 97 L N 0.652 121.786 121.223 -0.149 0.000 2.046 97 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 97 L C 2.458 179.188 176.870 -0.233 0.000 1.077 97 L CA 1.239 55.999 54.840 -0.133 0.000 0.747 97 L CB -1.198 40.829 42.059 -0.054 0.000 0.896 97 L HN 0.138 nan 8.230 nan 0.000 0.432 98 L N -0.571 120.384 121.223 -0.447 0.000 2.456 98 L HA -0.035 4.305 4.340 -0.000 0.000 0.224 98 L C 1.561 178.236 176.870 -0.324 0.000 1.148 98 L CA 0.725 55.244 54.840 -0.535 0.000 0.825 98 L CB -0.656 40.768 42.059 -1.057 0.000 0.937 98 L HN 0.565 nan 8.230 nan 0.000 0.450 99 G N -0.074 108.587 108.800 -0.232 0.000 2.168 99 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.257 99 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.257 99 G C 0.176 175.010 174.900 -0.111 0.000 0.997 99 G CA 0.063 45.084 45.100 -0.132 0.000 0.708 99 G HN 0.183 nan 8.290 nan 0.000 0.520 100 K N 0.628 120.936 120.400 -0.155 0.000 2.249 100 K HA 0.454 4.774 4.320 -0.000 0.000 0.280 100 K C -2.435 174.175 176.600 0.016 0.000 1.033 100 K CA -2.145 54.096 56.287 -0.077 0.000 0.946 100 K CB 1.022 33.445 32.500 -0.127 0.000 1.005 100 K HN 0.083 nan 8.250 nan 0.000 0.469 101 P HA 0.164 nan 4.420 nan 0.000 0.281 101 P C -1.108 176.191 177.300 -0.001 0.000 1.252 101 P CA -0.168 62.893 63.100 -0.065 0.000 0.778 101 P CB 0.242 31.886 31.700 -0.093 0.000 0.895 102 Y N 0.185 120.426 120.300 -0.099 0.000 2.602 102 Y HA 0.700 5.250 4.550 0.000 0.000 0.342 102 Y C -0.597 175.212 175.900 -0.152 0.000 1.029 102 Y CA -1.795 56.242 58.100 -0.105 0.000 1.080 102 Y CB 0.341 38.749 38.460 -0.086 0.000 1.284 102 Y HN -0.006 nan 8.280 nan 0.000 0.485 103 V N 2.499 122.380 119.914 -0.056 0.000 2.775 103 V HA 0.578 4.698 4.120 -0.000 0.000 0.299 103 V C 0.827 176.844 176.094 -0.128 0.000 1.062 103 V CA 0.714 62.840 62.300 -0.291 0.000 1.063 103 V CB 0.228 31.564 31.823 -0.812 0.000 0.994 103 V HN 1.396 nan 8.190 nan 0.000 0.483 104 G N 3.248 111.947 108.800 -0.169 0.000 2.681 104 G HA2 0.179 4.139 3.960 -0.000 0.000 0.220 104 G HA3 0.179 4.139 3.960 -0.000 0.000 0.220 104 G C 0.052 174.945 174.900 -0.011 0.000 1.353 104 G CA -0.251 44.813 45.100 -0.060 0.000 0.872 104 G HN 1.681 nan 8.290 nan 0.000 0.557 105 A N 0.064 122.895 122.820 0.019 0.000 2.498 105 A HA 0.671 4.991 4.320 -0.000 0.000 0.239 105 A C 1.414 179.077 177.584 0.132 0.000 1.068 105 A CA 1.436 53.480 52.037 0.011 0.000 0.766 105 A CB 0.038 19.023 19.000 -0.025 0.000 1.003 105 A HN 2.432 nan 8.150 nan 0.000 0.497 106 G N 0.098 108.944 108.800 0.077 0.000 2.588 106 G HA2 0.360 4.320 3.960 -0.000 0.000 0.278 106 G HA3 0.360 4.320 3.960 -0.000 0.000 0.278 106 G C 1.097 176.059 174.900 0.104 0.000 1.307 106 G CA 0.093 45.289 45.100 0.161 0.000 1.016 106 G HN 0.737 nan 8.290 nan 0.000 0.503 107 V N 1.011 120.982 119.914 0.094 0.000 2.231 107 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 107 V C 3.318 179.425 176.094 0.021 0.000 1.054 107 V CA 2.817 65.143 62.300 0.042 0.000 1.015 107 V CB -1.357 30.486 31.823 0.034 0.000 0.638 107 V HN 0.830 nan 8.190 nan 0.000 0.444 108 A N 0.032 122.860 122.820 0.013 0.000 1.841 108 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 108 A C 2.473 180.048 177.584 -0.015 0.000 1.199 108 A CA 2.603 54.639 52.037 -0.001 0.000 0.621 108 A CB -1.194 17.801 19.000 -0.007 0.000 0.835 108 A HN 0.640 nan 8.150 nan 0.000 0.445 109 A N -0.607 122.194 122.820 -0.031 0.000 1.892 109 A HA -0.167 4.152 4.320 -0.000 0.000 0.218 109 A C 2.473 180.034 177.584 -0.039 0.000 1.188 109 A CA 2.483 54.485 52.037 -0.058 0.000 0.631 109 A CB -1.128 17.814 19.000 -0.098 0.000 0.822 109 A HN 0.492 nan 8.150 nan 0.000 0.447 110 S N -0.381 115.310 115.700 -0.015 0.000 2.359 110 S HA -0.081 4.389 4.470 -0.000 0.000 0.224 110 S C 2.328 176.928 174.600 -0.000 0.000 1.035 110 S CA 1.406 59.605 58.200 -0.002 0.000 1.018 110 S CB -0.549 62.661 63.200 0.016 0.000 0.876 110 S HN 0.842 nan 8.310 nan 0.000 0.448 111 A N 1.273 124.095 122.820 0.004 0.000 1.855 111 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 111 A C 2.142 179.725 177.584 -0.003 0.000 1.191 111 A CA 1.424 53.466 52.037 0.008 0.000 0.613 111 A CB -0.809 18.200 19.000 0.014 0.000 0.829 111 A HN 0.407 nan 8.150 nan 0.000 0.442 112 L N -0.039 121.176 121.223 -0.012 0.000 2.017 112 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 112 L C 2.407 179.254 176.870 -0.038 0.000 1.073 112 L CA 2.244 57.071 54.840 -0.022 0.000 0.745 112 L CB -0.991 41.051 42.059 -0.027 0.000 0.894 112 L HN 0.457 nan 8.230 nan 0.000 0.432 113 C N -0.718 118.555 119.300 -0.045 0.000 2.419 113 C HA -0.095 4.365 4.460 -0.000 0.000 0.283 113 C C 2.654 177.614 174.990 -0.050 0.000 1.373 113 C CA 0.935 59.918 59.018 -0.058 0.000 1.781 113 C CB -0.948 26.758 27.740 -0.057 0.000 1.886 113 C HN 0.705 nan 8.230 nan 0.000 0.520 114 M N 0.663 120.245 119.600 -0.030 0.000 2.562 114 M HA 0.104 4.584 4.480 -0.000 0.000 0.257 114 M C 0.376 176.661 176.300 -0.024 0.000 1.099 114 M CA 1.117 56.404 55.300 -0.021 0.000 1.099 114 M CB -0.289 32.309 32.600 -0.003 0.000 1.427 114 M HN 0.137 nan 8.290 nan 0.000 0.489 115 D N 0.573 120.957 120.400 -0.028 0.000 2.412 115 D HA 0.125 4.765 4.640 -0.000 0.000 0.224 115 D C 0.149 176.417 176.300 -0.053 0.000 1.093 115 D CA 0.036 54.024 54.000 -0.021 0.000 0.850 115 D CB 0.797 41.596 40.800 -0.000 0.000 1.046 115 D HN 0.256 nan 8.370 nan 0.000 0.507 116 K N 2.444 122.809 120.400 -0.059 0.000 2.519 116 K HA -0.139 4.181 4.320 -0.000 0.000 0.196 116 K C 0.715 177.211 176.600 -0.173 0.000 1.041 116 K CA 0.857 57.075 56.287 -0.115 0.000 0.954 116 K CB 0.428 32.880 32.500 -0.080 0.000 0.774 116 K HN 0.397 nan 8.250 nan 0.000 0.480 117 D N 0.398 120.759 120.400 -0.065 0.000 2.652 117 D HA 0.008 4.648 4.640 -0.000 0.000 0.261 117 D C 1.716 178.030 176.300 0.022 0.000 1.024 117 D CA 0.227 54.241 54.000 0.024 0.000 0.958 117 D CB 0.025 40.933 40.800 0.180 0.000 1.113 117 D HN -0.052 nan 8.370 nan 0.000 0.471 118 L N 0.931 122.174 121.223 0.033 0.000 2.079 118 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 118 L C 2.558 179.416 176.870 -0.020 0.000 1.081 118 L CA 1.530 56.390 54.840 0.033 0.000 0.752 118 L CB -0.762 41.314 42.059 0.027 0.000 0.896 118 L HN 0.206 nan 8.230 nan 0.000 0.433 119 S N -0.334 115.318 115.700 -0.080 0.000 2.368 119 S HA -0.184 4.286 4.470 -0.000 0.000 0.224 119 S C 1.930 176.427 174.600 -0.171 0.000 1.029 119 S CA 0.782 58.914 58.200 -0.113 0.000 0.988 119 S CB -0.249 62.873 63.200 -0.131 0.000 0.838 119 S HN 0.357 nan 8.310 nan 0.000 0.462 120 K N 1.156 121.363 120.400 -0.321 0.000 2.057 120 K HA 0.031 4.351 4.320 -0.000 0.000 0.207 120 K C 2.635 179.105 176.600 -0.217 0.000 1.049 120 K CA 1.239 57.203 56.287 -0.538 0.000 0.931 120 K CB -0.178 31.453 32.500 -1.448 0.000 0.714 120 K HN 0.333 nan 8.250 nan 0.000 0.440 121 R N 0.372 120.887 120.500 0.026 0.000 2.083 121 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 121 R C 2.292 178.663 176.300 0.118 0.000 1.137 121 R CA 1.470 57.714 56.100 0.239 0.000 0.951 121 R CB -0.559 29.885 30.300 0.239 0.000 0.851 121 R HN 0.011 nan 8.270 nan 0.000 0.434 122 V N 1.426 121.367 119.914 0.045 0.000 2.407 122 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 122 V C 2.257 178.361 176.094 0.017 0.000 1.055 122 V CA 1.589 63.904 62.300 0.025 0.000 1.049 122 V CB -0.377 31.445 31.823 -0.002 0.000 0.662 122 V HN 0.287 nan 8.190 nan 0.000 0.455 123 L N -0.178 121.039 121.223 -0.010 0.000 2.072 123 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 123 L C 2.739 179.630 176.870 0.035 0.000 1.079 123 L CA 1.366 56.200 54.840 -0.009 0.000 0.752 123 L CB -0.807 41.218 42.059 -0.056 0.000 0.906 123 L HN 0.349 nan 8.230 nan 0.000 0.436 124 A N -0.458 122.408 122.820 0.076 0.000 1.858 124 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 124 A C 2.255 179.901 177.584 0.104 0.000 1.190 124 A CA 1.649 53.769 52.037 0.138 0.000 0.617 124 A CB -0.683 18.485 19.000 0.279 0.000 0.827 124 A HN 0.399 nan 8.150 nan 0.000 0.443 125 Q N -0.071 119.787 119.800 0.096 0.000 2.368 125 Q HA -0.096 4.244 4.340 -0.000 0.000 0.210 125 Q C 1.698 177.729 176.000 0.051 0.000 0.982 125 Q CA 1.484 57.329 55.803 0.070 0.000 0.884 125 Q CB -0.345 28.432 28.738 0.064 0.000 0.933 125 Q HN 0.589 nan 8.270 nan 0.000 0.460 126 A N -1.169 121.678 122.820 0.046 0.000 2.308 126 A HA 0.393 4.713 4.320 -0.000 0.000 0.217 126 A C 1.365 178.971 177.584 0.037 0.000 1.216 126 A CA 0.814 52.872 52.037 0.035 0.000 0.864 126 A CB 0.024 19.038 19.000 0.023 0.000 0.902 126 A HN 0.471 nan 8.150 nan 0.000 0.499 127 G N -1.127 107.701 108.800 0.046 0.000 2.136 127 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.242 127 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.242 127 G C 0.105 175.030 174.900 0.042 0.000 0.989 127 G CA 0.148 45.274 45.100 0.044 0.000 0.682 127 G HN 0.756 nan 8.290 nan 0.000 0.522 128 V N 2.763 122.704 119.914 0.046 0.000 2.498 128 V HA 0.465 4.585 4.120 -0.000 0.000 0.279 128 V C -1.131 174.997 176.094 0.057 0.000 1.048 128 V CA -1.293 61.036 62.300 0.048 0.000 0.967 128 V CB 1.494 33.340 31.823 0.038 0.000 0.988 128 V HN 0.269 nan 8.190 nan 0.000 0.473 129 P HA 0.292 nan 4.420 nan 0.000 0.276 129 P C -0.822 176.555 177.300 0.127 0.000 1.235 129 P CA 0.114 63.247 63.100 0.055 0.000 0.772 129 P CB 1.385 33.044 31.700 -0.069 0.000 0.871 130 V N 1.339 121.384 119.914 0.218 0.000 3.040 130 V HA 0.473 4.593 4.120 -0.000 0.000 0.312 130 V C -0.121 176.214 176.094 0.401 0.000 1.115 130 V CA -1.198 61.244 62.300 0.237 0.000 0.998 130 V CB 1.803 33.629 31.823 0.005 0.000 1.042 130 V HN 0.194 nan 8.190 nan 0.000 0.433 131 V N 3.351 123.429 119.914 0.274 0.000 2.572 131 V HA 0.244 4.364 4.120 -0.000 0.000 0.291 131 V C -1.895 174.297 176.094 0.163 0.000 1.039 131 V CA -0.876 61.471 62.300 0.078 0.000 1.055 131 V CB 0.710 32.525 31.823 -0.014 0.000 0.969 131 V HN 0.934 nan 8.190 nan 0.000 0.482 132 P HA 0.020 nan 4.420 nan 0.000 0.264 132 P C -0.824 176.400 177.300 -0.127 0.000 1.173 132 P CA 0.572 63.549 63.100 -0.205 0.000 0.761 132 P CB 0.215 31.508 31.700 -0.677 0.000 0.794 133 W N 1.735 122.861 121.300 -0.291 0.000 2.982 133 W HA 0.647 5.307 4.660 -0.000 0.000 0.344 133 W C -2.655 173.966 176.519 0.170 0.000 1.215 133 W CA -0.884 56.489 57.345 0.045 0.000 1.182 133 W CB 0.634 30.122 29.460 0.047 0.000 1.437 133 W HN 0.353 nan 8.180 nan 0.000 0.570 134 V N 1.755 121.634 119.914 -0.058 0.000 3.048 134 V HA 0.839 4.959 4.120 -0.000 0.000 0.303 134 V C -1.004 175.148 176.094 0.097 0.000 1.214 134 V CA -0.365 61.807 62.300 -0.214 0.000 0.984 134 V CB 1.649 33.434 31.823 -0.064 0.000 1.054 134 V HN 1.520 nan 8.190 nan 0.000 0.430 135 A N 4.598 127.479 122.820 0.101 0.000 2.303 135 A HA 0.877 5.197 4.320 -0.000 0.000 0.317 135 A C -0.958 176.699 177.584 0.122 0.000 1.149 135 A CA -0.463 51.684 52.037 0.183 0.000 0.822 135 A CB 1.484 20.610 19.000 0.210 0.000 1.131 135 A HN 1.235 nan 8.150 nan 0.000 0.493 136 V N 2.820 122.831 119.914 0.163 0.000 2.577 136 V HA 0.453 4.573 4.120 -0.000 0.000 0.303 136 V C -0.148 176.130 176.094 0.306 0.000 1.042 136 V CA -0.580 61.839 62.300 0.199 0.000 0.872 136 V CB 1.739 33.685 31.823 0.204 0.000 0.998 136 V HN 0.981 nan 8.190 nan 0.000 0.423 137 R N 2.467 123.074 120.500 0.178 0.000 2.460 137 R HA 0.448 4.788 4.340 -0.000 0.000 0.303 137 R C -0.141 176.002 176.300 -0.261 0.000 0.968 137 R CA -0.907 55.216 56.100 0.039 0.000 0.889 137 R CB 1.882 32.182 30.300 -0.001 0.000 1.123 137 R HN 0.662 nan 8.270 nan 0.000 0.455 138 K N 1.348 121.215 120.400 -0.888 0.000 2.543 138 K HA -0.105 4.215 4.320 -0.000 0.000 0.279 138 K C 0.260 176.563 176.600 -0.495 0.000 1.001 138 K CA 1.442 56.944 56.287 -1.308 0.000 1.088 138 K CB 0.112 31.934 32.500 -1.131 0.000 0.863 138 K HN 0.853 nan 8.250 nan 0.000 0.488 139 G N 3.243 111.846 108.800 -0.328 0.000 2.353 139 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.294 139 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.294 139 G C -0.481 174.367 174.900 -0.086 0.000 1.077 139 G CA 0.632 45.646 45.100 -0.143 0.000 1.098 139 G HN 0.727 nan 8.290 nan 0.000 0.511 140 E N -0.030 120.146 120.200 -0.040 0.000 2.506 140 E HA 0.369 4.719 4.350 -0.000 0.000 0.308 140 E C -2.854 173.769 176.600 0.037 0.000 0.931 140 E CA -1.726 54.671 56.400 -0.004 0.000 0.800 140 E CB 1.532 31.226 29.700 -0.010 0.000 1.292 140 E HN 0.080 nan 8.360 nan 0.000 0.401 141 P HA 0.143 nan 4.420 nan 0.000 0.262 141 P C -2.508 174.818 177.300 0.044 0.000 1.199 141 P CA -0.622 62.502 63.100 0.039 0.000 0.763 141 P CB -0.043 31.669 31.700 0.021 0.000 0.790 142 P HA 0.083 nan 4.420 nan 0.000 0.271 142 P C -0.698 176.617 177.300 0.024 0.000 1.216 142 P CA 0.182 63.309 63.100 0.045 0.000 0.771 142 P CB 0.547 32.280 31.700 0.055 0.000 0.864 143 V N 4.096 124.010 119.914 -0.001 0.000 2.384 143 V HA 0.075 4.195 4.120 -0.000 0.000 0.257 143 V C -0.049 176.024 176.094 -0.035 0.000 0.969 143 V CA -0.577 61.719 62.300 -0.008 0.000 0.910 143 V CB 1.202 33.020 31.823 -0.009 0.000 1.150 143 V HN 0.246 nan 8.190 nan 0.000 0.481 144 V N 5.870 125.749 119.914 -0.058 0.000 2.381 144 V HA 0.147 4.267 4.120 -0.000 0.000 0.257 144 V C -0.312 175.721 176.094 -0.102 0.000 1.057 144 V CA -0.665 61.494 62.300 -0.234 0.000 1.013 144 V CB 0.918 32.444 31.823 -0.494 0.000 1.069 144 V HN 0.615 nan 8.190 nan 0.000 0.484 145 P HA -0.013 nan 4.420 nan 0.000 0.239 145 P C -0.215 177.278 177.300 0.321 0.000 1.184 145 P CA 0.621 63.823 63.100 0.171 0.000 0.760 145 P CB -0.104 31.702 31.700 0.175 0.000 0.884 146 F N -2.163 117.853 119.950 0.109 0.000 2.599 146 F HA 0.651 5.177 4.527 -0.000 0.000 0.311 146 F C -0.411 175.549 175.800 0.268 0.000 1.076 146 F CA -2.434 55.653 58.000 0.145 0.000 0.937 146 F CB 0.231 39.288 39.000 0.095 0.000 1.282 146 F HN -0.416 nan 8.300 nan 0.000 0.460 147 D N 2.253 122.862 120.400 0.347 0.000 2.339 147 D HA 0.375 5.015 4.640 -0.000 0.000 0.245 147 D C -2.225 174.171 176.300 0.160 0.000 1.115 147 D CA -1.186 52.977 54.000 0.272 0.000 0.917 147 D CB 1.016 41.943 40.800 0.212 0.000 1.192 147 D HN 0.299 nan 8.370 nan 0.000 0.428 148 P HA 0.140 nan 4.420 nan 0.000 0.272 148 P C -2.310 174.852 177.300 -0.230 0.000 1.254 148 P CA -0.666 62.100 63.100 -0.557 0.000 0.795 148 P CB -0.182 30.969 31.700 -0.916 0.000 1.022 149 P HA 0.323 nan 4.420 nan 0.000 0.276 149 P C -1.252 175.834 177.300 -0.357 0.000 1.261 149 P CA 0.134 62.928 63.100 -0.509 0.000 0.800 149 P CB 0.444 31.922 31.700 -0.369 0.000 1.066 150 F N -2.789 116.995 119.950 -0.276 0.000 2.703 150 F HA 0.560 5.087 4.527 -0.000 0.000 0.308 150 F C -1.551 174.072 175.800 -0.294 0.000 1.126 150 F CA -1.911 55.987 58.000 -0.170 0.000 0.959 150 F CB 0.151 39.129 39.000 -0.037 0.000 1.297 150 F HN 0.005 nan 8.300 nan 0.000 0.441 151 F N 1.202 121.305 119.950 0.254 0.000 2.385 151 F HA 0.696 5.223 4.527 -0.000 0.000 0.336 151 F C -0.027 175.842 175.800 0.114 0.000 1.100 151 F CA -0.991 57.087 58.000 0.129 0.000 1.116 151 F CB 1.923 40.952 39.000 0.048 0.000 1.166 151 F HN 0.340 nan 8.300 nan 0.000 0.511 152 V N 3.842 123.898 119.914 0.237 0.000 2.380 152 V HA 0.360 4.480 4.120 -0.000 0.000 0.286 152 V C -0.609 175.532 176.094 0.078 0.000 1.015 152 V CA -0.986 61.377 62.300 0.105 0.000 0.834 152 V CB 1.130 32.967 31.823 0.024 0.000 1.009 152 V HN 0.665 nan 8.190 nan 0.000 0.428 153 K N 6.194 126.632 120.400 0.064 0.000 2.281 153 K HA 0.671 4.991 4.320 -0.000 0.000 0.242 153 K C -2.861 173.746 176.600 0.010 0.000 0.971 153 K CA -2.077 54.225 56.287 0.024 0.000 0.834 153 K CB 2.137 34.649 32.500 0.019 0.000 1.181 153 K HN 0.295 nan 8.250 nan 0.000 0.435 154 P HA 0.004 nan 4.420 nan 0.000 0.274 154 P C -0.163 177.160 177.300 0.038 0.000 1.231 154 P CA -0.138 62.988 63.100 0.044 0.000 0.790 154 P CB 1.278 33.018 31.700 0.066 0.000 0.951 155 A N 3.329 126.192 122.820 0.072 0.000 1.930 155 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 155 A C 1.218 178.817 177.584 0.026 0.000 1.175 155 A CA 1.697 53.767 52.037 0.055 0.000 0.627 155 A CB -1.016 18.036 19.000 0.086 0.000 0.815 155 A HN 0.655 nan 8.150 nan 0.000 0.443 156 N N -1.520 117.199 118.700 0.032 0.000 2.299 156 N HA 0.196 4.936 4.740 -0.000 0.000 0.246 156 N C -0.526 174.981 175.510 -0.005 0.000 1.254 156 N CA 0.140 53.196 53.050 0.011 0.000 0.879 156 N CB 1.173 39.671 38.487 0.019 0.000 1.214 156 N HN 0.235 nan 8.380 nan 0.000 0.510 161 V N -1.153 118.598 119.914 -0.272 0.000 3.109 161 V HA 0.974 5.094 4.120 -0.000 0.000 0.317 161 V C 1.558 177.358 176.094 -0.489 0.000 1.074 161 V CA 0.222 62.306 62.300 -0.361 0.000 1.033 161 V CB 0.434 31.963 31.823 -0.489 0.000 1.111 161 V HN 1.569 nan 8.190 nan 0.000 0.458 162 G N 1.332 109.957 108.800 -0.291 0.000 2.196 162 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.268 162 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.268 162 G C 0.031 174.925 174.900 -0.009 0.000 0.975 162 G CA 0.607 45.688 45.100 -0.031 0.000 0.648 162 G HN 0.973 nan 8.290 nan 0.000 0.538 163 I N 2.392 122.941 120.570 -0.035 0.000 2.322 163 I HA 0.419 4.589 4.170 -0.000 0.000 0.292 163 I C 0.781 176.949 176.117 0.085 0.000 1.060 163 I CA 0.151 61.471 61.300 0.033 0.000 1.309 163 I CB 1.037 39.050 38.000 0.023 0.000 1.415 163 I HN 0.304 nan 8.210 nan 0.000 0.492 164 S N 6.448 122.206 115.700 0.097 0.000 2.600 164 S HA 0.588 5.058 4.470 -0.000 0.000 0.300 164 S C -0.489 174.130 174.600 0.031 0.000 1.087 164 S CA -1.072 57.167 58.200 0.066 0.000 0.965 164 S CB 2.401 65.612 63.200 0.018 0.000 1.089 164 S HN 0.626 nan 8.310 nan 0.000 0.496 165 R N 1.380 121.821 120.500 -0.100 0.000 2.265 165 R HA 0.579 4.919 4.340 -0.000 0.000 0.319 165 R C -1.495 174.621 176.300 -0.306 0.000 1.006 165 R CA -0.488 55.370 56.100 -0.404 0.000 0.880 165 R CB 0.791 30.804 30.300 -0.479 0.000 1.077 165 R HN 0.636 nan 8.270 nan 0.000 0.454 166 V N 5.139 124.839 119.914 -0.356 0.000 2.398 166 V HA 0.172 4.292 4.120 -0.000 0.000 0.286 166 V C 0.617 176.363 176.094 -0.580 0.000 1.026 166 V CA -0.507 61.571 62.300 -0.370 0.000 0.868 166 V CB 1.623 33.296 31.823 -0.249 0.000 0.982 166 V HN 0.853 nan 8.190 nan 0.000 0.443 167 E N 3.585 123.535 120.200 -0.417 0.000 2.166 167 E HA 0.134 4.484 4.350 -0.000 0.000 0.192 167 E C 0.374 176.741 176.600 -0.387 0.000 0.967 167 E CA 0.505 56.675 56.400 -0.383 0.000 0.840 167 E CB 0.532 30.091 29.700 -0.235 0.000 0.795 167 E HN 0.602 nan 8.360 nan 0.000 0.470 168 R N -0.498 119.815 120.500 -0.312 0.000 2.686 168 R HA 0.359 4.699 4.340 -0.000 0.000 0.286 168 R C 0.456 176.664 176.300 -0.152 0.000 0.969 168 R CA -0.533 55.451 56.100 -0.195 0.000 0.898 168 R CB 0.970 31.225 30.300 -0.075 0.000 1.183 168 R HN -0.127 nan 8.270 nan 0.000 0.456 169 F N 1.848 121.742 119.950 -0.093 0.000 2.115 169 F HA -0.308 4.219 4.527 -0.000 0.000 0.300 169 F C 2.580 178.383 175.800 0.005 0.000 1.092 169 F CA 2.130 60.132 58.000 0.003 0.000 1.245 169 F CB -0.041 38.968 39.000 0.016 0.000 0.995 169 F HN 0.620 nan 8.300 nan 0.000 0.481 170 Q N -0.524 119.380 119.800 0.174 0.000 2.443 170 Q HA -0.197 4.142 4.340 -0.000 0.000 0.213 170 Q C 0.746 176.778 176.000 0.053 0.000 0.982 170 Q CA 1.661 57.521 55.803 0.095 0.000 0.894 170 Q CB -0.397 28.374 28.738 0.055 0.000 0.947 170 Q HN 0.380 nan 8.270 nan 0.000 0.480 171 D N 0.395 120.810 120.400 0.025 0.000 2.355 171 D HA -0.007 4.633 4.640 -0.000 0.000 0.206 171 D C 1.706 178.014 176.300 0.013 0.000 1.010 171 D CA 0.034 54.030 54.000 -0.006 0.000 0.875 171 D CB 0.103 40.866 40.800 -0.061 0.000 0.966 171 D HN 0.177 nan 8.370 nan 0.000 0.512 172 L N 1.880 123.133 121.223 0.050 0.000 2.043 172 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 172 L C 2.031 178.928 176.870 0.045 0.000 1.075 172 L CA 1.875 56.763 54.840 0.080 0.000 0.752 172 L CB -0.462 41.679 42.059 0.137 0.000 0.891 172 L HN -0.039 nan 8.230 nan 0.000 0.432 173 E N -1.108 119.128 120.200 0.060 0.000 2.209 173 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 173 E C 1.991 178.612 176.600 0.034 0.000 0.993 173 E CA 0.988 57.422 56.400 0.057 0.000 0.819 173 E CB -0.081 29.659 29.700 0.066 0.000 0.745 173 E HN 0.671 nan 8.360 nan 0.000 0.477 174 A N 0.927 123.759 122.820 0.020 0.000 1.874 174 A HA 0.058 4.378 4.320 -0.000 0.000 0.214 174 A C 2.385 179.962 177.584 -0.012 0.000 1.189 174 A CA 1.286 53.328 52.037 0.008 0.000 0.615 174 A CB -0.704 18.299 19.000 0.005 0.000 0.830 174 A HN 0.368 nan 8.150 nan 0.000 0.443 175 A N -0.539 122.268 122.820 -0.022 0.000 1.908 175 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 175 A C 2.051 179.565 177.584 -0.117 0.000 1.181 175 A CA 1.774 53.788 52.037 -0.039 0.000 0.627 175 A CB -0.570 18.420 19.000 -0.017 0.000 0.818 175 A HN 0.385 nan 8.150 nan 0.000 0.445 176 L N -0.410 120.712 121.223 -0.168 0.000 1.976 176 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 176 L C 3.049 179.648 176.870 -0.451 0.000 1.071 176 L CA 2.104 56.683 54.840 -0.435 0.000 0.746 176 L CB -1.183 40.726 42.059 -0.249 0.000 0.890 176 L HN 0.389 nan 8.230 nan 0.000 0.432 177 A N -0.795 121.980 122.820 -0.076 0.000 1.917 177 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 177 A C 2.252 179.848 177.584 0.021 0.000 1.182 177 A CA 2.080 54.167 52.037 0.083 0.000 0.633 177 A CB -1.006 18.044 19.000 0.083 0.000 0.819 177 A HN 0.404 nan 8.150 nan 0.000 0.448 178 L N -0.141 121.070 121.223 -0.020 0.000 1.989 178 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 178 L C 2.613 179.517 176.870 0.056 0.000 1.071 178 L CA 2.624 57.475 54.840 0.019 0.000 0.749 178 L CB -1.106 40.973 42.059 0.032 0.000 0.890 178 L HN 0.329 nan 8.230 nan 0.000 0.431 179 A N -0.878 121.926 122.820 -0.026 0.000 1.902 179 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 179 A C 1.922 179.568 177.584 0.102 0.000 1.181 179 A CA 1.662 53.719 52.037 0.034 0.000 0.623 179 A CB -1.173 17.720 19.000 -0.178 0.000 0.818 179 A HN 0.506 nan 8.150 nan 0.000 0.443 180 F N 0.197 120.198 119.950 0.085 0.000 2.724 180 F HA 0.002 4.529 4.527 -0.000 0.000 0.297 180 F C 1.606 177.386 175.800 -0.033 0.000 1.200 180 F CA 0.457 58.480 58.000 0.038 0.000 1.468 180 F CB -0.432 38.580 39.000 0.019 0.000 1.116 180 F HN 0.169 nan 8.300 nan 0.000 0.599 181 R N -1.186 119.318 120.500 0.007 0.000 2.893 181 R HA 0.193 4.533 4.340 -0.000 0.000 0.317 181 R C -0.391 175.507 176.300 -0.670 0.000 1.239 181 R CA 0.124 56.044 56.100 -0.300 0.000 1.128 181 R CB -0.024 30.031 30.300 -0.408 0.000 1.377 181 R HN 0.266 nan 8.270 nan 0.000 0.583 182 Y N -2.205 118.137 120.300 0.071 0.000 3.215 182 Y HA 0.148 4.698 4.550 -0.000 0.000 0.206 182 Y C 0.079 176.009 175.900 0.050 0.000 1.054 182 Y CA -0.642 57.482 58.100 0.040 0.000 1.550 182 Y CB 0.554 39.030 38.460 0.026 0.000 1.434 182 Y HN -0.057 nan 8.280 nan 0.000 0.391 183 D N 0.517 121.083 120.400 0.276 0.000 2.646 183 D HA 0.196 4.836 4.640 -0.000 0.000 0.245 183 D C 0.180 176.629 176.300 0.249 0.000 1.099 183 D CA -0.125 53.995 54.000 0.201 0.000 0.849 183 D CB 2.486 43.388 40.800 0.171 0.000 1.448 183 D HN 0.148 nan 8.370 nan 0.000 0.489 184 E N 1.991 122.282 120.200 0.153 0.000 2.401 184 E HA -0.088 4.262 4.350 -0.000 0.000 0.199 184 E C -0.079 176.612 176.600 0.151 0.000 1.023 184 E CA 0.904 57.357 56.400 0.088 0.000 0.859 184 E CB 0.192 29.897 29.700 0.009 0.000 0.780 184 E HN 0.252 nan 8.360 nan 0.000 0.523 185 K N -0.630 119.912 120.400 0.236 0.000 2.378 185 K HA 0.666 4.986 4.320 -0.000 0.000 0.252 185 K C -1.538 175.225 176.600 0.272 0.000 0.931 185 K CA -0.657 55.789 56.287 0.265 0.000 0.794 185 K CB 1.678 34.271 32.500 0.155 0.000 1.181 185 K HN 0.006 nan 8.250 nan 0.000 0.425 186 A N 2.013 124.999 122.820 0.277 0.000 2.485 186 A HA 0.735 5.055 4.320 -0.000 0.000 0.292 186 A C -1.216 176.449 177.584 0.134 0.000 1.147 186 A CA -0.701 51.416 52.037 0.133 0.000 0.750 186 A CB 1.538 20.512 19.000 -0.043 0.000 1.331 186 A HN 0.564 nan 8.150 nan 0.000 0.419 187 V N -1.423 118.557 119.914 0.111 0.000 2.656 187 V HA 0.820 4.940 4.120 -0.000 0.000 0.307 187 V C -0.803 175.371 176.094 0.134 0.000 1.051 187 V CA -0.738 61.671 62.300 0.182 0.000 0.893 187 V CB 1.250 33.201 31.823 0.214 0.000 0.999 187 V HN 0.720 nan 8.190 nan 0.000 0.426 188 V N 3.929 123.924 119.914 0.135 0.000 2.328 188 V HA 0.520 4.640 4.120 -0.000 0.000 0.278 188 V C 0.041 176.297 176.094 0.270 0.000 1.021 188 V CA -0.230 62.069 62.300 -0.002 0.000 0.838 188 V CB 0.854 32.455 31.823 -0.369 0.000 0.999 188 V HN 1.039 nan 8.190 nan 0.000 0.447 189 E N 2.872 123.265 120.200 0.321 0.000 2.207 189 E HA 0.374 4.724 4.350 -0.000 0.000 0.270 189 E C -0.454 176.455 176.600 0.516 0.000 0.927 189 E CA -0.957 55.690 56.400 0.412 0.000 0.799 189 E CB 2.237 32.108 29.700 0.285 0.000 1.172 189 E HN 0.511 nan 8.360 nan 0.000 0.404 190 K N 1.769 122.408 120.400 0.398 0.000 2.402 190 K HA 0.140 4.460 4.320 -0.000 0.000 0.285 190 K C -0.644 176.099 176.600 0.238 0.000 1.054 190 K CA -0.203 56.322 56.287 0.397 0.000 1.001 190 K CB 0.371 32.879 32.500 0.013 0.000 0.946 190 K HN 0.562 nan 8.250 nan 0.000 0.473 191 A N 5.674 128.655 122.820 0.269 0.000 2.496 191 A HA 0.082 4.402 4.320 -0.000 0.000 0.278 191 A C -0.380 177.245 177.584 0.068 0.000 1.137 191 A CA -0.320 51.842 52.037 0.208 0.000 0.805 191 A CB -0.177 18.788 19.000 -0.057 0.000 1.077 191 A HN 0.681 nan 8.150 nan 0.000 0.513 192 L N 3.131 124.342 121.223 -0.020 0.000 2.290 192 L HA 0.555 4.895 4.340 -0.000 0.000 0.284 192 L C 0.458 177.286 176.870 -0.070 0.000 1.078 192 L CA 0.848 55.620 54.840 -0.114 0.000 0.815 192 L CB 1.316 43.211 42.059 -0.273 0.000 1.162 192 L HN 0.673 nan 8.230 nan 0.000 0.435 193 S N 5.132 120.813 115.700 -0.031 0.000 2.543 193 S HA 0.756 5.226 4.470 -0.000 0.000 0.273 193 S C -2.695 171.909 174.600 0.007 0.000 1.152 193 S CA -0.957 57.237 58.200 -0.010 0.000 0.910 193 S CB 1.195 64.393 63.200 -0.003 0.000 1.105 193 S HN 0.608 nan 8.310 nan 0.000 0.465 194 P HA 0.669 nan 4.420 nan 0.000 0.279 194 P C -0.941 176.374 177.300 0.026 0.000 1.252 194 P CA -0.537 62.574 63.100 0.019 0.000 0.811 194 P CB 1.084 32.800 31.700 0.027 0.000 1.035 195 V N -1.342 118.585 119.914 0.021 0.000 2.962 195 V HA 0.692 4.812 4.120 -0.000 0.000 0.313 195 V C -0.430 175.720 176.094 0.093 0.000 1.099 195 V CA -1.132 61.199 62.300 0.053 0.000 0.971 195 V CB 2.170 33.977 31.823 -0.027 0.000 1.028 195 V HN 0.488 nan 8.190 nan 0.000 0.430 196 R N 1.377 121.963 120.500 0.143 0.000 2.562 196 R HA 0.560 4.900 4.340 -0.000 0.000 0.298 196 R C -0.787 175.635 176.300 0.203 0.000 0.961 196 R CA -0.575 55.606 56.100 0.136 0.000 0.881 196 R CB 2.272 32.630 30.300 0.096 0.000 1.159 196 R HN 0.833 nan 8.270 nan 0.000 0.450 197 E N 3.779 124.088 120.200 0.182 0.000 2.227 197 E HA 0.296 4.646 4.350 -0.000 0.000 0.282 197 E C -0.526 176.136 176.600 0.104 0.000 1.015 197 E CA -0.322 56.187 56.400 0.181 0.000 0.823 197 E CB 1.495 31.288 29.700 0.154 0.000 1.081 197 E HN 0.241 nan 8.360 nan 0.000 0.396 198 L N 2.498 123.780 121.223 0.098 0.000 2.362 198 L HA 0.460 4.800 4.340 -0.000 0.000 0.271 198 L C -0.052 176.884 176.870 0.110 0.000 1.002 198 L CA -0.742 54.144 54.840 0.075 0.000 0.818 198 L CB 1.791 43.873 42.059 0.038 0.000 1.298 198 L HN 0.429 nan 8.230 nan 0.000 0.420 199 E N 2.151 122.391 120.200 0.066 0.000 2.293 199 E HA 0.611 4.961 4.350 -0.000 0.000 0.270 199 E C -1.521 175.103 176.600 0.039 0.000 0.879 199 E CA -0.632 55.812 56.400 0.073 0.000 0.756 199 E CB 3.614 33.330 29.700 0.028 0.000 1.208 199 E HN 0.234 nan 8.360 nan 0.000 0.428 200 V N 0.988 120.947 119.914 0.076 0.000 2.851 200 V HA 0.675 4.795 4.120 -0.000 0.000 0.307 200 V C -0.678 175.422 176.094 0.010 0.000 1.129 200 V CA -0.354 61.940 62.300 -0.009 0.000 0.932 200 V CB 2.002 33.832 31.823 0.011 0.000 1.024 200 V HN 0.742 nan 8.190 nan 0.000 0.426 201 G N 4.642 113.359 108.800 -0.138 0.000 2.367 201 G HA2 0.604 4.564 3.960 -0.000 0.000 0.314 201 G HA3 0.604 4.564 3.960 -0.000 0.000 0.314 201 G C -1.030 173.925 174.900 0.092 0.000 1.130 201 G CA -0.430 44.686 45.100 0.027 0.000 0.864 201 G HN 0.884 nan 8.290 nan 0.000 0.486 202 V N 2.223 122.325 119.914 0.313 0.000 2.667 202 V HA 0.659 4.779 4.120 -0.000 0.000 0.308 202 V C -0.484 175.756 176.094 0.242 0.000 1.048 202 V CA -0.779 61.561 62.300 0.066 0.000 0.928 202 V CB 1.640 33.138 31.823 -0.542 0.000 1.004 202 V HN 0.715 nan 8.190 nan 0.000 0.444 203 L N 3.310 124.611 121.223 0.130 0.000 2.431 203 L HA 1.042 5.381 4.340 -0.000 0.000 0.266 203 L C -0.171 176.728 176.870 0.048 0.000 0.978 203 L CA 0.875 55.768 54.840 0.088 0.000 0.822 203 L CB 1.665 43.638 42.059 -0.144 0.000 1.310 203 L HN 1.087 nan 8.230 nan 0.000 0.409 204 G N 2.689 111.563 108.800 0.124 0.000 2.354 204 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.582 204 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.582 204 G C -1.790 173.267 174.900 0.261 0.000 1.316 204 G CA -0.921 44.270 45.100 0.152 0.000 0.995 204 G HN 0.723 nan 8.290 nan 0.000 0.573 205 N N 0.702 119.529 118.700 0.210 0.000 2.476 205 N HA 0.510 5.250 4.740 -0.000 0.000 0.257 205 N C 1.389 177.026 175.510 0.211 0.000 0.970 205 N CA 0.463 53.615 53.050 0.171 0.000 0.938 205 N CB 1.739 40.271 38.487 0.075 0.000 1.144 205 N HN 1.286 nan 8.380 nan 0.000 0.500 206 V N 0.926 120.927 119.914 0.145 0.000 0.489 206 V HA -0.360 3.760 4.120 -0.000 0.000 0.092 206 V C 0.099 176.133 176.094 -0.100 0.000 2.367 206 V CA 1.628 63.915 62.300 -0.023 0.000 3.630 206 V CB -1.328 30.481 31.823 -0.023 0.000 0.914 206 V HN 0.574 nan 8.190 nan 0.000 0.957 207 F N 1.908 121.970 119.950 0.186 0.000 2.293 207 F HA 0.720 5.247 4.527 -0.000 0.000 0.370 207 F C 0.876 176.743 175.800 0.112 0.000 1.090 207 F CA 0.396 58.477 58.000 0.136 0.000 1.133 207 F CB 1.126 40.173 39.000 0.078 0.000 1.360 207 F HN 0.273 nan 8.300 nan 0.000 0.489 208 G N 1.669 110.545 108.800 0.126 0.000 2.613 208 G HA2 0.471 4.431 3.960 -0.000 0.000 0.303 208 G HA3 0.471 4.431 3.960 -0.000 0.000 0.303 208 G C -1.355 173.555 174.900 0.018 0.000 1.312 208 G CA -0.575 44.526 45.100 0.001 0.000 1.036 208 G HN 0.462 nan 8.290 nan 0.000 0.513 209 E N -0.350 119.865 120.200 0.024 0.000 2.155 209 E HA 0.561 4.911 4.350 -0.000 0.000 0.264 209 E C 0.088 176.735 176.600 0.079 0.000 0.886 209 E CA -0.834 55.610 56.400 0.073 0.000 0.752 209 E CB 1.323 31.100 29.700 0.128 0.000 1.133 209 E HN 0.598 nan 8.360 nan 0.000 0.414 210 A N 3.230 126.045 122.820 -0.007 0.000 2.313 210 A HA 0.501 4.821 4.320 -0.000 0.000 0.261 210 A C 0.140 177.599 177.584 -0.208 0.000 1.090 210 A CA -0.086 51.898 52.037 -0.089 0.000 0.807 210 A CB 0.783 19.728 19.000 -0.091 0.000 1.055 210 A HN 0.744 nan 8.150 nan 0.000 0.492 211 S N 0.070 115.511 115.700 -0.431 0.000 2.739 211 S HA 0.782 5.252 4.470 -0.000 0.000 0.306 211 S C -3.048 171.326 174.600 -0.376 0.000 1.115 211 S CA -1.588 56.216 58.200 -0.659 0.000 0.985 211 S CB 1.064 63.449 63.200 -1.359 0.000 1.133 211 S HN 0.410 nan 8.310 nan 0.000 0.541 212 P HA 0.224 nan 4.420 nan 0.000 0.269 212 P C -0.898 176.283 177.300 -0.198 0.000 1.209 212 P CA -0.371 62.604 63.100 -0.209 0.000 0.776 212 P CB 0.361 31.957 31.700 -0.173 0.000 0.876 213 V N 2.630 122.456 119.914 -0.148 0.000 2.614 213 V HA 0.485 4.605 4.120 -0.000 0.000 0.291 213 V C 1.062 177.098 176.094 -0.097 0.000 1.049 213 V CA 0.345 62.572 62.300 -0.123 0.000 1.038 213 V CB 0.659 32.409 31.823 -0.122 0.000 0.980 213 V HN 0.741 nan 8.190 nan 0.000 0.481 214 G N 2.997 111.753 108.800 -0.074 0.000 2.511 214 G HA2 0.676 4.636 3.960 -0.000 0.000 0.318 214 G HA3 0.676 4.636 3.960 -0.000 0.000 0.318 214 G C -1.228 173.657 174.900 -0.025 0.000 1.210 214 G CA -0.437 44.631 45.100 -0.054 0.000 0.969 214 G HN 0.674 nan 8.290 nan 0.000 0.484 215 E N -0.291 119.901 120.200 -0.014 0.000 2.266 215 E HA 0.532 4.882 4.350 -0.000 0.000 0.268 215 E C -1.383 175.228 176.600 0.018 0.000 0.879 215 E CA -0.639 55.766 56.400 0.008 0.000 0.762 215 E CB 2.642 32.347 29.700 0.008 0.000 1.199 215 E HN 0.215 nan 8.360 nan 0.000 0.422 216 V N 4.640 124.576 119.914 0.037 0.000 2.398 216 V HA 0.526 4.646 4.120 -0.000 0.000 0.286 216 V C -0.194 175.942 176.094 0.069 0.000 1.026 216 V CA -0.450 61.879 62.300 0.049 0.000 0.868 216 V CB 1.405 33.259 31.823 0.052 0.000 0.982 216 V HN 0.632 nan 8.190 nan 0.000 0.443 217 R N 3.122 123.665 120.500 0.073 0.000 2.686 217 R HA 0.472 4.812 4.340 -0.000 0.000 0.283 217 R C -1.669 174.712 176.300 0.135 0.000 0.978 217 R CA -0.814 55.342 56.100 0.094 0.000 0.897 217 R CB 2.890 33.223 30.300 0.055 0.000 1.192 217 R HN 0.738 nan 8.270 nan 0.000 0.457 218 Y N 1.718 122.030 120.300 0.019 0.000 2.361 218 Y HA 0.317 4.867 4.550 -0.000 0.000 0.332 218 Y C -0.786 175.127 175.900 0.021 0.000 1.101 218 Y CA -0.505 57.608 58.100 0.021 0.000 1.137 218 Y CB 1.537 40.012 38.460 0.025 0.000 1.207 218 Y HN 0.412 nan 8.280 nan 0.000 0.463 219 E N 4.810 124.625 120.200 -0.643 0.000 2.165 219 E HA 0.500 4.850 4.350 -0.000 0.000 0.266 219 E C -0.865 175.160 176.600 -0.958 0.000 0.889 219 E CA -0.875 55.177 56.400 -0.579 0.000 0.756 219 E CB 1.881 31.436 29.700 -0.241 0.000 1.131 219 E HN 0.834 nan 8.360 nan 0.000 0.411 220 A N 4.428 126.792 122.820 -0.761 0.000 2.366 220 A HA 0.483 4.803 4.320 -0.000 0.000 0.249 220 A C -2.188 175.359 177.584 -0.062 0.000 1.084 220 A CA -1.082 50.711 52.037 -0.407 0.000 0.794 220 A CB -0.249 18.733 19.000 -0.031 0.000 1.034 220 A HN 0.302 nan 8.150 nan 0.000 0.491 221 P HA 0.504 nan 4.420 nan 0.000 0.272 221 P C -0.811 176.589 177.300 0.168 0.000 1.223 221 P CA 0.210 63.319 63.100 0.014 0.000 0.784 221 P CB 0.323 32.086 31.700 0.105 0.000 0.923 222 F N -0.675 119.209 119.950 -0.110 0.000 2.713 222 F HA 0.559 5.086 4.527 -0.000 0.000 0.311 222 F C -2.053 173.754 175.800 0.011 0.000 1.141 222 F CA -1.422 56.577 58.000 -0.002 0.000 0.939 222 F CB 0.868 39.850 39.000 -0.030 0.000 1.325 222 F HN 0.133 nan 8.300 nan 0.000 0.453 223 Y N 2.291 122.616 120.300 0.041 0.000 2.326 223 Y HA 0.321 4.871 4.550 -0.000 0.000 0.337 223 Y C -0.183 175.718 175.900 0.001 0.000 1.023 223 Y CA -0.172 57.888 58.100 -0.067 0.000 1.143 223 Y CB 0.686 39.138 38.460 -0.014 0.000 1.183 223 Y HN 0.734 nan 8.280 nan 0.000 0.485 224 D N 3.308 123.635 120.400 -0.121 0.000 2.175 224 D HA 0.030 4.670 4.640 -0.000 0.000 0.248 224 D C 0.309 176.634 176.300 0.043 0.000 1.047 224 D CA -0.103 53.948 54.000 0.085 0.000 0.883 224 D CB 1.065 41.879 40.800 0.022 0.000 1.180 224 D HN 0.604 nan 8.370 nan 0.000 0.438 225 Y N 1.982 122.375 120.300 0.155 0.000 2.049 225 Y HA -0.207 4.343 4.550 0.000 0.000 0.277 225 Y C 2.476 178.425 175.900 0.081 0.000 1.143 225 Y CA 1.732 59.905 58.100 0.122 0.000 1.115 225 Y CB -0.035 38.480 38.460 0.093 0.000 0.975 225 Y HN 0.559 nan 8.280 nan 0.000 0.487 226 E N -0.972 119.365 120.200 0.227 0.000 2.021 226 E HA -0.114 4.236 4.350 -0.000 0.000 0.189 226 E C 2.196 178.823 176.600 0.045 0.000 0.980 226 E CA 1.614 58.085 56.400 0.118 0.000 0.803 226 E CB -0.134 29.623 29.700 0.096 0.000 0.766 226 E HN 0.285 nan 8.360 nan 0.000 0.449 227 T N 0.820 115.384 114.554 0.016 0.000 2.684 227 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 227 T C 0.441 175.038 174.700 -0.172 0.000 1.036 227 T CA 1.352 63.408 62.100 -0.073 0.000 1.148 227 T CB -0.069 68.737 68.868 -0.102 0.000 0.863 227 T HN 0.054 nan 8.240 nan 0.000 0.436 228 K N -1.027 119.221 120.400 -0.254 0.000 5.802 228 K HA -0.159 4.161 4.320 -0.000 0.000 0.547 228 K C -0.072 176.023 176.600 -0.842 0.000 1.749 228 K CA 0.034 55.988 56.287 -0.556 0.000 1.070 228 K CB -1.482 30.794 32.500 -0.372 0.000 1.630 228 K HN 0.413 nan 8.250 nan 0.000 0.373 229 Y N 2.319 121.968 120.300 -1.086 0.000 2.610 229 Y HA 0.120 4.670 4.550 -0.000 0.000 0.332 229 Y C 0.029 175.598 175.900 -0.551 0.000 1.201 229 Y CA 1.095 58.726 58.100 -0.780 0.000 1.465 229 Y CB 0.583 38.755 38.460 -0.481 0.000 1.283 229 Y HN 0.293 nan 8.280 nan 0.000 0.563 230 T N 8.753 122.478 114.554 -1.382 0.000 2.965 230 T HA 0.277 4.627 4.350 -0.000 0.000 0.306 230 T C -2.674 171.332 174.700 -1.157 0.000 0.991 230 T CA -1.236 60.189 62.100 -1.124 0.000 1.001 230 T CB 1.407 69.574 68.868 -1.168 0.000 0.984 230 T HN 0.428 nan 8.240 nan 0.000 0.446 231 P HA 0.201 nan 4.420 nan 0.000 0.270 231 P C 0.730 177.897 177.300 -0.221 0.000 1.221 231 P CA -0.077 62.756 63.100 -0.445 0.000 0.788 231 P CB 0.410 32.018 31.700 -0.153 0.000 0.904 232 G N 0.989 109.753 108.800 -0.060 0.000 2.664 232 G HA2 0.299 4.259 3.960 -0.000 0.000 0.242 232 G HA3 0.299 4.259 3.960 -0.000 0.000 0.242 232 G C -0.523 174.357 174.900 -0.033 0.000 1.225 232 G CA -0.112 44.971 45.100 -0.028 0.000 0.849 232 G HN 0.575 nan 8.290 nan 0.000 0.581 233 R N -0.466 119.993 120.500 -0.069 0.000 2.680 233 R HA 0.570 4.910 4.340 -0.000 0.000 0.269 233 R C -1.176 175.140 176.300 0.027 0.000 1.026 233 R CA -0.726 55.362 56.100 -0.020 0.000 0.889 233 R CB 1.726 31.996 30.300 -0.050 0.000 1.241 233 R HN 0.779 nan 8.270 nan 0.000 0.463 234 A N 2.376 125.229 122.820 0.054 0.000 2.318 234 A HA 0.414 4.734 4.320 -0.000 0.000 0.324 234 A C -0.953 176.652 177.584 0.035 0.000 1.170 234 A CA -0.541 51.542 52.037 0.078 0.000 0.810 234 A CB 1.357 20.404 19.000 0.079 0.000 1.198 234 A HN 0.769 nan 8.150 nan 0.000 0.484 235 E N 1.794 122.015 120.200 0.035 0.000 2.179 235 E HA 0.555 4.905 4.350 -0.000 0.000 0.275 235 E C -1.637 174.972 176.600 0.015 0.000 0.945 235 E CA -0.623 55.785 56.400 0.014 0.000 0.792 235 E CB 0.900 30.603 29.700 0.005 0.000 1.125 235 E HN 0.459 nan 8.360 nan 0.000 0.397 236 L N 5.455 126.679 121.223 0.001 0.000 2.324 236 L HA 0.331 4.671 4.340 -0.000 0.000 0.274 236 L C -0.796 176.065 176.870 -0.014 0.000 1.012 236 L CA -0.142 54.694 54.840 -0.005 0.000 0.859 236 L CB 0.951 43.002 42.059 -0.013 0.000 1.224 236 L HN 0.532 nan 8.230 nan 0.000 0.429 237 L N 5.075 126.290 121.223 -0.013 0.000 2.282 237 L HA 0.461 4.801 4.340 -0.000 0.000 0.287 237 L C -0.329 176.523 176.870 -0.031 0.000 1.075 237 L CA 0.044 54.872 54.840 -0.019 0.000 0.839 237 L CB 0.281 42.332 42.059 -0.013 0.000 1.219 237 L HN 0.471 nan 8.230 nan 0.000 0.434 238 I N 5.216 125.763 120.570 -0.038 0.000 2.355 238 I HA 0.389 4.559 4.170 -0.000 0.000 0.288 238 I C -1.607 174.481 176.117 -0.049 0.000 0.999 238 I CA -1.592 59.677 61.300 -0.052 0.000 1.163 238 I CB 1.423 39.386 38.000 -0.062 0.000 1.316 238 I HN 0.472 nan 8.210 nan 0.000 0.454 239 P HA 0.449 nan 4.420 nan 0.000 0.284 239 P C -0.674 176.596 177.300 -0.049 0.000 1.292 239 P CA -0.574 62.490 63.100 -0.061 0.000 0.800 239 P CB 0.886 32.546 31.700 -0.067 0.000 1.188 240 A N 1.600 124.389 122.820 -0.052 0.000 2.440 240 A HA 0.349 4.669 4.320 -0.000 0.000 0.251 240 A C -1.835 175.727 177.584 -0.037 0.000 1.089 240 A CA -1.130 50.883 52.037 -0.040 0.000 0.779 240 A CB -0.934 18.040 19.000 -0.043 0.000 1.022 240 A HN 0.417 nan 8.150 nan 0.000 0.492 241 P HA 0.284 nan 4.420 nan 0.000 0.263 241 P C -1.032 176.254 177.300 -0.023 0.000 1.601 241 P CA 0.597 63.683 63.100 -0.023 0.000 1.161 241 P CB -0.222 31.468 31.700 -0.016 0.000 1.730 242 L N 2.547 123.751 121.223 -0.032 0.000 2.350 242 L HA 0.426 4.766 4.340 -0.000 0.000 0.260 242 L C 0.353 177.201 176.870 -0.037 0.000 1.015 242 L CA -1.166 53.653 54.840 -0.035 0.000 0.821 242 L CB 2.268 44.297 42.059 -0.050 0.000 1.370 242 L HN 0.195 nan 8.230 nan 0.000 0.416 243 D N 1.101 121.480 120.400 -0.034 0.000 2.304 243 D HA 0.108 4.748 4.640 -0.000 0.000 0.250 243 D C -1.969 174.306 176.300 -0.042 0.000 1.107 243 D CA -1.540 52.440 54.000 -0.033 0.000 0.885 243 D CB 1.375 42.159 40.800 -0.027 0.000 1.192 243 D HN 0.264 nan 8.370 nan 0.000 0.436 244 P HA -0.276 nan 4.420 nan 0.000 0.222 244 P C 1.462 178.732 177.300 -0.050 0.000 1.154 244 P CA 2.000 65.073 63.100 -0.045 0.000 0.874 244 P CB -0.106 31.572 31.700 -0.036 0.000 0.787 245 G N -1.209 107.564 108.800 -0.045 0.000 2.408 245 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 245 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 245 G C 1.553 176.413 174.900 -0.065 0.000 1.150 245 G CA 1.400 46.471 45.100 -0.049 0.000 0.776 245 G HN 0.245 nan 8.290 nan 0.000 0.542 246 T N 0.088 114.600 114.554 -0.070 0.000 2.851 246 T HA -0.061 4.289 4.350 -0.000 0.000 0.262 246 T C 2.267 176.893 174.700 -0.124 0.000 1.043 246 T CA 1.180 63.224 62.100 -0.093 0.000 1.140 246 T CB -0.144 68.677 68.868 -0.078 0.000 0.872 246 T HN 0.239 nan 8.240 nan 0.000 0.446 247 Q N 0.806 120.542 119.800 -0.107 0.000 2.096 247 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 247 Q C 2.137 178.061 176.000 -0.127 0.000 0.982 247 Q CA 1.367 57.098 55.803 -0.120 0.000 0.850 247 Q CB -0.069 28.613 28.738 -0.092 0.000 0.901 247 Q HN 0.459 nan 8.270 nan 0.000 0.422 248 E N -0.323 119.818 120.200 -0.099 0.000 2.058 248 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 248 E C 2.045 178.584 176.600 -0.101 0.000 0.997 248 E CA 1.746 58.095 56.400 -0.086 0.000 0.801 248 E CB -0.275 29.387 29.700 -0.063 0.000 0.746 248 E HN 0.404 nan 8.360 nan 0.000 0.450 249 T N 1.324 115.808 114.554 -0.115 0.000 2.674 249 T HA -0.120 4.230 4.350 -0.000 0.000 0.265 249 T C 2.048 176.629 174.700 -0.198 0.000 1.039 249 T CA 1.244 63.267 62.100 -0.127 0.000 1.150 249 T CB -0.481 68.314 68.868 -0.122 0.000 0.864 249 T HN 0.016 nan 8.240 nan 0.000 0.427 250 V N 1.196 120.925 119.914 -0.307 0.000 2.392 250 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 250 V C 2.398 178.241 176.094 -0.418 0.000 1.059 250 V CA 1.916 63.864 62.300 -0.586 0.000 1.051 250 V CB -0.483 30.936 31.823 -0.672 0.000 0.658 250 V HN 0.535 nan 8.190 nan 0.000 0.455 251 Q N -0.504 119.160 119.800 -0.227 0.000 2.046 251 Q HA -0.247 4.093 4.340 -0.000 0.000 0.200 251 Q C 2.238 178.204 176.000 -0.057 0.000 0.975 251 Q CA 1.958 57.687 55.803 -0.122 0.000 0.836 251 Q CB -0.201 28.472 28.738 -0.108 0.000 0.896 251 Q HN 0.862 nan 8.270 nan 0.000 0.428 252 E N 0.521 120.687 120.200 -0.057 0.000 2.110 252 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 252 E C 1.832 178.442 176.600 0.018 0.000 0.988 252 E CA 0.715 57.106 56.400 -0.016 0.000 0.804 252 E CB -0.012 29.676 29.700 -0.020 0.000 0.745 252 E HN 0.147 nan 8.360 nan 0.000 0.458 253 L N 0.920 122.150 121.223 0.011 0.000 2.079 253 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 253 L C 2.389 179.392 176.870 0.221 0.000 1.081 253 L CA 1.964 56.865 54.840 0.103 0.000 0.752 253 L CB -1.010 41.106 42.059 0.095 0.000 0.896 253 L HN 0.327 nan 8.230 nan 0.000 0.433 254 A N -1.050 121.923 122.820 0.256 0.000 1.845 254 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 254 A C 2.075 179.742 177.584 0.138 0.000 1.195 254 A CA 1.487 53.690 52.037 0.276 0.000 0.616 254 A CB -0.771 18.363 19.000 0.224 0.000 0.832 254 A HN 0.290 nan 8.150 nan 0.000 0.443 255 L N -0.029 121.232 121.223 0.065 0.000 2.042 255 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 255 L C 2.387 179.296 176.870 0.065 0.000 1.076 255 L CA 2.430 57.290 54.840 0.034 0.000 0.749 255 L CB -1.354 40.712 42.059 0.012 0.000 0.893 255 L HN 0.512 nan 8.230 nan 0.000 0.432 256 K N 0.370 120.806 120.400 0.061 0.000 2.009 256 K HA -0.127 4.193 4.320 -0.000 0.000 0.210 256 K C 2.071 178.696 176.600 0.042 0.000 1.049 256 K CA 1.828 58.140 56.287 0.042 0.000 0.929 256 K CB -0.481 32.047 32.500 0.047 0.000 0.714 256 K HN 0.184 nan 8.250 nan 0.000 0.440 257 A N -0.535 122.326 122.820 0.069 0.000 1.902 257 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 257 A C 2.250 179.869 177.584 0.059 0.000 1.181 257 A CA 1.641 53.705 52.037 0.044 0.000 0.623 257 A CB -1.052 17.965 19.000 0.029 0.000 0.818 257 A HN 0.540 nan 8.150 nan 0.000 0.443 258 Y N 0.640 120.913 120.300 -0.045 0.000 2.165 258 Y HA -0.229 4.321 4.550 0.000 0.000 0.286 258 Y C 2.463 178.295 175.900 -0.113 0.000 1.155 258 Y CA 2.410 60.476 58.100 -0.057 0.000 1.164 258 Y CB 0.002 38.446 38.460 -0.028 0.000 0.978 258 Y HN 0.279 nan 8.280 nan 0.000 0.513 259 K N -0.293 120.114 120.400 0.012 0.000 2.155 259 K HA -0.089 4.231 4.320 -0.000 0.000 0.203 259 K C 1.899 178.401 176.600 -0.163 0.000 1.052 259 K CA 1.391 57.558 56.287 -0.201 0.000 0.948 259 K CB -0.447 31.840 32.500 -0.355 0.000 0.728 259 K HN 0.322 nan 8.250 nan 0.000 0.448 260 V N 1.549 121.409 119.914 -0.089 0.000 2.358 260 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 260 V C 2.242 178.290 176.094 -0.077 0.000 1.047 260 V CA 1.037 63.299 62.300 -0.064 0.000 1.035 260 V CB -0.276 31.528 31.823 -0.031 0.000 0.658 260 V HN 0.219 nan 8.190 nan 0.000 0.452 261 L N 0.614 121.779 121.223 -0.098 0.000 2.478 261 L HA 0.235 4.575 4.340 -0.000 0.000 0.223 261 L C 1.880 178.658 176.870 -0.152 0.000 1.140 261 L CA 1.458 56.230 54.840 -0.114 0.000 0.842 261 L CB -1.473 40.512 42.059 -0.124 0.000 0.953 261 L HN 0.550 nan 8.230 nan 0.000 0.452 262 G N -0.337 108.350 108.800 -0.188 0.000 2.198 262 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 262 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 262 G C 0.470 175.202 174.900 -0.280 0.000 1.025 262 G CA 0.326 45.308 45.100 -0.197 0.000 0.769 262 G HN 0.175 nan 8.290 nan 0.000 0.507 263 V N -0.390 119.229 119.914 -0.492 0.000 3.032 263 V HA 0.328 4.448 4.120 -0.000 0.000 0.307 263 V C 1.169 176.933 176.094 -0.549 0.000 1.097 263 V CA 0.440 62.361 62.300 -0.631 0.000 1.191 263 V CB 0.837 31.992 31.823 -1.114 0.000 0.964 263 V HN 0.526 nan 8.190 nan 0.000 0.494 264 R N 1.219 121.550 120.500 -0.282 0.000 2.807 264 R HA 0.614 4.954 4.340 -0.000 0.000 0.276 264 R C 1.078 177.373 176.300 -0.008 0.000 0.979 264 R CA 0.056 56.091 56.100 -0.110 0.000 0.928 264 R CB 1.772 31.999 30.300 -0.121 0.000 1.191 264 R HN 0.964 nan 8.270 nan 0.000 0.471 265 G N 1.925 110.759 108.800 0.058 0.000 5.266 265 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.262 265 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.262 265 G C 0.057 175.058 174.900 0.169 0.000 1.359 265 G CA 1.043 46.172 45.100 0.048 0.000 0.955 265 G HN 0.622 nan 8.290 nan 0.000 0.754 266 M N -1.786 117.938 119.600 0.208 0.000 2.880 266 M HA 0.803 5.283 4.480 -0.000 0.000 0.269 266 M C -0.967 175.537 176.300 0.339 0.000 1.248 266 M CA -0.365 55.103 55.300 0.279 0.000 0.821 266 M CB 1.990 34.632 32.600 0.069 0.000 1.650 266 M HN 2.262 nan 8.290 nan 0.000 0.479 267 A N 1.248 124.288 122.820 0.367 0.000 2.585 267 A HA 0.692 5.012 4.320 -0.000 0.000 0.299 267 A C -1.919 175.875 177.584 0.350 0.000 1.047 267 A CA -0.723 51.506 52.037 0.320 0.000 0.723 267 A CB 1.699 20.985 19.000 0.476 0.000 1.275 267 A HN 0.768 nan 8.150 nan 0.000 0.408 268 R N 2.118 122.756 120.500 0.230 0.000 2.275 268 R HA 0.540 4.880 4.340 -0.000 0.000 0.326 268 R C -1.327 175.032 176.300 0.099 0.000 0.973 268 R CA -0.226 56.014 56.100 0.234 0.000 0.854 268 R CB 0.863 31.279 30.300 0.193 0.000 1.156 268 R HN 0.594 nan 8.270 nan 0.000 0.487 269 V N 4.843 124.805 119.914 0.080 0.000 2.407 269 V HA 0.241 4.361 4.120 -0.000 0.000 0.278 269 V C -0.056 175.963 176.094 -0.125 0.000 1.037 269 V CA -0.746 61.513 62.300 -0.068 0.000 0.900 269 V CB 1.585 33.383 31.823 -0.043 0.000 0.983 269 V HN 0.566 nan 8.190 nan 0.000 0.459 270 D N 4.038 124.253 120.400 -0.309 0.000 2.163 270 D HA 0.673 5.313 4.640 -0.000 0.000 0.248 270 D C -0.636 175.342 176.300 -0.538 0.000 1.035 270 D CA 0.050 53.880 54.000 -0.284 0.000 0.872 270 D CB 1.800 42.425 40.800 -0.292 0.000 1.183 270 D HN 0.284 nan 8.370 nan 0.000 0.445 271 F N 0.339 120.114 119.950 -0.291 0.000 2.620 271 F HA 0.528 5.055 4.527 0.000 0.000 0.320 271 F C -0.474 175.138 175.800 -0.312 0.000 1.069 271 F CA -1.040 56.789 58.000 -0.285 0.000 0.953 271 F CB 1.271 40.207 39.000 -0.106 0.000 1.322 271 F HN 0.070 nan 8.300 nan 0.000 0.479 272 F N 2.223 122.348 119.950 0.291 0.000 2.482 272 F HA 0.588 5.115 4.527 -0.000 0.000 0.331 272 F C -0.651 175.298 175.800 0.248 0.000 1.115 272 F CA -1.084 57.039 58.000 0.204 0.000 0.955 272 F CB 1.708 40.798 39.000 0.150 0.000 1.136 272 F HN 0.095 nan 8.300 nan 0.000 0.452 273 L N 3.764 125.202 121.223 0.359 0.000 2.294 273 L HA 0.874 5.214 4.340 -0.000 0.000 0.283 273 L C -0.913 176.089 176.870 0.220 0.000 1.015 273 L CA -0.598 54.383 54.840 0.236 0.000 0.831 273 L CB 0.617 42.751 42.059 0.124 0.000 1.217 273 L HN 0.648 nan 8.230 nan 0.000 0.420 274 A N 3.723 126.695 122.820 0.253 0.000 2.437 274 A HA 0.644 4.964 4.320 -0.000 0.000 0.293 274 A C 0.278 177.971 177.584 0.183 0.000 1.038 274 A CA -0.056 52.096 52.037 0.191 0.000 0.708 274 A CB 0.991 20.089 19.000 0.165 0.000 1.251 274 A HN 0.767 nan 8.150 nan 0.000 0.409 275 E N 0.930 121.198 120.200 0.113 0.000 3.170 275 E HA -0.214 4.136 4.350 -0.000 0.000 0.284 275 E C 1.123 177.768 176.600 0.074 0.000 0.967 275 E CA 2.515 58.969 56.400 0.090 0.000 0.919 275 E CB -1.327 28.438 29.700 0.108 0.000 1.469 275 E HN 2.706 nan 8.360 nan 0.000 0.444 276 G N -1.248 107.592 108.800 0.068 0.000 2.176 276 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.253 276 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.253 276 G C -0.209 174.697 174.900 0.011 0.000 0.979 276 G CA 0.250 45.370 45.100 0.032 0.000 0.641 276 G HN 0.223 nan 8.290 nan 0.000 0.530 277 E N 0.359 120.585 120.200 0.043 0.000 2.146 277 E HA 0.539 4.889 4.350 -0.000 0.000 0.282 277 E C 0.513 177.024 176.600 -0.149 0.000 0.989 277 E CA -0.476 55.875 56.400 -0.082 0.000 0.799 277 E CB 1.340 31.017 29.700 -0.039 0.000 1.088 277 E HN 0.396 nan 8.360 nan 0.000 0.397 278 L N 3.540 124.614 121.223 -0.248 0.000 2.326 278 L HA 0.270 4.610 4.340 -0.000 0.000 0.278 278 L C -0.628 176.074 176.870 -0.281 0.000 1.092 278 L CA -0.417 54.343 54.840 -0.134 0.000 0.810 278 L CB 0.343 42.321 42.059 -0.135 0.000 1.153 278 L HN 0.432 nan 8.230 nan 0.000 0.439 279 Y N 3.228 123.673 120.300 0.241 0.000 2.361 279 Y HA 0.347 4.897 4.550 -0.000 0.000 0.337 279 Y C -0.165 175.854 175.900 0.199 0.000 0.965 279 Y CA -0.577 57.658 58.100 0.225 0.000 1.091 279 Y CB 1.905 40.517 38.460 0.254 0.000 1.182 279 Y HN 0.383 nan 8.280 nan 0.000 0.450 280 L N 3.524 124.863 121.223 0.193 0.000 2.369 280 L HA 0.208 4.548 4.340 -0.000 0.000 0.279 280 L C 0.633 177.339 176.870 -0.273 0.000 1.108 280 L CA 0.133 54.830 54.840 -0.238 0.000 0.852 280 L CB 0.557 42.455 42.059 -0.269 0.000 1.169 280 L HN 0.792 nan 8.230 nan 0.000 0.452 281 N N 3.245 121.649 118.700 -0.494 0.000 2.182 281 N HA -0.017 4.723 4.740 -0.000 0.000 0.186 281 N C -0.520 174.781 175.510 -0.349 0.000 1.036 281 N CA 1.189 53.968 53.050 -0.452 0.000 0.850 281 N CB 0.433 38.371 38.487 -0.914 0.000 1.010 281 N HN 0.790 nan 8.380 nan 0.000 0.432 282 E N -1.421 118.544 120.200 -0.391 0.000 2.409 282 E HA 0.309 4.659 4.350 -0.000 0.000 0.280 282 E C -1.786 174.666 176.600 -0.247 0.000 1.079 282 E CA -0.764 55.472 56.400 -0.273 0.000 0.840 282 E CB 0.595 30.177 29.700 -0.196 0.000 1.309 282 E HN -0.054 nan 8.360 nan 0.000 0.447 283 L N 1.788 122.915 121.223 -0.159 0.000 2.333 283 L HA 0.439 4.779 4.340 -0.000 0.000 0.280 283 L C -0.667 176.179 176.870 -0.040 0.000 1.004 283 L CA -0.546 54.243 54.840 -0.085 0.000 0.820 283 L CB 1.602 43.631 42.059 -0.050 0.000 1.247 283 L HN 0.440 nan 8.230 nan 0.000 0.416 284 N N 1.049 119.749 118.700 0.000 0.000 2.437 284 N HA 0.198 4.938 4.740 -0.000 0.000 0.259 284 N C 0.860 176.401 175.510 0.051 0.000 0.983 284 N CA -0.005 53.060 53.050 0.026 0.000 0.937 284 N CB 2.003 40.513 38.487 0.038 0.000 1.122 284 N HN 0.724 nan 8.380 nan 0.000 0.499 285 T N -0.878 113.701 114.554 0.041 0.000 3.023 285 T HA 0.093 4.443 4.350 -0.000 0.000 0.266 285 T C 0.776 175.507 174.700 0.052 0.000 1.093 285 T CA 0.873 62.997 62.100 0.040 0.000 1.129 285 T CB 0.079 68.955 68.868 0.014 0.000 0.899 285 T HN 0.319 nan 8.240 nan 0.000 0.491 286 I N 3.575 124.192 120.570 0.078 0.000 2.583 286 I HA 0.412 4.582 4.170 -0.000 0.000 0.276 286 I C -2.471 173.789 176.117 0.239 0.000 1.089 286 I CA -2.394 58.976 61.300 0.116 0.000 1.103 286 I CB 2.259 40.274 38.000 0.025 0.000 1.209 286 I HN 0.038 nan 8.210 nan 0.000 0.484 287 P HA 0.286 nan 4.420 nan 0.000 0.282 287 P C 0.277 177.766 177.300 0.316 0.000 1.287 287 P CA -0.383 62.827 63.100 0.183 0.000 0.792 287 P CB 0.818 32.526 31.700 0.013 0.000 1.163 288 G N -0.634 108.250 108.800 0.140 0.000 2.491 288 G HA2 0.149 4.109 3.960 -0.000 0.000 0.238 288 G HA3 0.149 4.109 3.960 -0.000 0.000 0.238 288 G C -0.656 174.304 174.900 0.100 0.000 1.277 288 G CA -0.200 44.983 45.100 0.138 0.000 0.851 288 G HN 0.398 nan 8.290 nan 0.000 0.573 289 F N 0.226 120.296 119.950 0.200 0.000 2.791 289 F HA 0.237 4.764 4.527 0.000 0.000 0.316 289 F C 1.421 177.360 175.800 0.230 0.000 1.134 289 F CA -0.379 57.776 58.000 0.259 0.000 1.222 289 F CB 0.642 39.795 39.000 0.256 0.000 1.034 289 F HN 0.314 nan 8.300 nan 0.000 0.516 290 T N 3.716 118.385 114.554 0.191 0.000 2.932 290 T HA 0.026 4.376 4.350 -0.000 0.000 0.312 290 T C -1.324 173.354 174.700 -0.037 0.000 1.071 290 T CA -0.685 61.478 62.100 0.104 0.000 1.128 290 T CB 0.787 69.682 68.868 0.045 0.000 0.984 290 T HN 0.039 nan 8.240 nan 0.000 0.549 291 P HA -0.031 nan 4.420 nan 0.000 0.236 291 P C 0.768 177.906 177.300 -0.270 0.000 1.172 291 P CA 0.866 63.671 63.100 -0.493 0.000 0.759 291 P CB -0.156 31.289 31.700 -0.424 0.000 0.843 292 T N -5.398 109.076 114.554 -0.132 0.000 3.200 292 T HA 0.280 4.630 4.350 -0.000 0.000 0.284 292 T C 0.587 175.254 174.700 -0.055 0.000 1.009 292 T CA -0.371 61.679 62.100 -0.085 0.000 0.907 292 T CB -0.353 68.484 68.868 -0.053 0.000 1.120 292 T HN -0.167 nan 8.240 nan 0.000 0.534 293 S N 1.349 117.017 115.700 -0.054 0.000 2.645 293 S HA 0.460 4.930 4.470 -0.000 0.000 0.266 293 S C 1.244 175.827 174.600 -0.027 0.000 1.258 293 S CA -0.724 57.459 58.200 -0.030 0.000 0.990 293 S CB 1.131 64.317 63.200 -0.022 0.000 0.967 293 S HN 0.292 nan 8.310 nan 0.000 0.556 294 M N 1.252 120.849 119.600 -0.005 0.000 2.065 294 M HA -0.100 4.380 4.480 -0.000 0.000 0.259 294 M C 1.716 178.025 176.300 0.014 0.000 1.071 294 M CA 1.788 57.089 55.300 0.001 0.000 1.109 294 M CB -0.876 31.733 32.600 0.015 0.000 1.313 294 M HN 0.810 nan 8.290 nan 0.000 0.408 295 Y N 1.336 121.590 120.300 -0.075 0.000 2.040 295 Y HA -0.230 4.320 4.550 0.000 0.000 0.275 295 Y C -0.873 175.034 175.900 0.013 0.000 1.171 295 Y CA 2.937 61.013 58.100 -0.040 0.000 1.123 295 Y CB -1.793 36.589 38.460 -0.130 0.000 0.963 295 Y HN 0.271 nan 8.280 nan 0.000 0.493 296 P HA -0.172 nan 4.420 nan 0.000 0.217 296 P C 1.010 178.309 177.300 -0.001 0.000 1.150 296 P CA 1.987 65.111 63.100 0.040 0.000 0.832 296 P CB -0.172 31.535 31.700 0.013 0.000 0.787 297 R N -0.911 119.557 120.500 -0.052 0.000 2.075 297 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 297 R C 2.522 178.777 176.300 -0.075 0.000 1.126 297 R CA 0.807 56.870 56.100 -0.061 0.000 0.963 297 R CB -1.102 29.159 30.300 -0.064 0.000 0.858 297 R HN 0.134 nan 8.270 nan 0.000 0.435 298 L N -0.121 121.030 121.223 -0.120 0.000 2.013 298 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 298 L C 2.034 178.743 176.870 -0.267 0.000 1.073 298 L CA 1.811 56.520 54.840 -0.219 0.000 0.753 298 L CB -0.511 41.361 42.059 -0.311 0.000 0.890 298 L HN 0.038 nan 8.230 nan 0.000 0.432 299 F N -0.668 119.145 119.950 -0.228 0.000 2.407 299 F HA -0.136 4.391 4.527 0.000 0.000 0.299 299 F C 2.424 178.173 175.800 -0.085 0.000 1.097 299 F CA 1.049 58.943 58.000 -0.176 0.000 1.422 299 F CB -0.209 38.654 39.000 -0.229 0.000 1.067 299 F HN 0.177 nan 8.300 nan 0.000 0.539 300 E N 0.747 120.998 120.200 0.084 0.000 2.047 300 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 300 E C 2.243 178.850 176.600 0.011 0.000 0.987 300 E CA 1.448 57.879 56.400 0.052 0.000 0.799 300 E CB -0.454 29.253 29.700 0.012 0.000 0.752 300 E HN 0.186 nan 8.360 nan 0.000 0.449 301 A N 0.298 123.098 122.820 -0.033 0.000 1.940 301 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 301 A C 2.336 179.886 177.584 -0.056 0.000 1.176 301 A CA 1.677 53.681 52.037 -0.054 0.000 0.631 301 A CB -1.283 17.666 19.000 -0.085 0.000 0.814 301 A HN 0.395 nan 8.150 nan 0.000 0.446 302 G N -1.941 106.815 108.800 -0.073 0.000 2.956 302 G HA2 0.356 4.316 3.960 -0.000 0.000 0.207 302 G HA3 0.356 4.316 3.960 -0.000 0.000 0.207 302 G C 1.121 176.038 174.900 0.028 0.000 1.162 302 G CA 0.525 45.588 45.100 -0.061 0.000 0.796 302 G HN 1.677 nan 8.290 nan 0.000 0.527 303 G N -1.496 107.327 108.800 0.038 0.000 2.136 303 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.242 303 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.242 303 G C 0.017 174.964 174.900 0.078 0.000 0.989 303 G CA 0.116 45.245 45.100 0.049 0.000 0.682 303 G HN 0.843 nan 8.290 nan 0.000 0.522 304 V N 1.003 120.990 119.914 0.123 0.000 2.326 304 V HA 0.757 4.877 4.120 -0.000 0.000 0.281 304 V C 0.889 177.054 176.094 0.119 0.000 1.015 304 V CA -0.564 61.809 62.300 0.121 0.000 0.823 304 V CB 0.928 32.839 31.823 0.147 0.000 1.009 304 V HN 1.095 nan 8.190 nan 0.000 0.436 305 A N 3.453 126.328 122.820 0.091 0.000 2.448 305 A HA 0.255 4.575 4.320 -0.000 0.000 0.239 305 A C 0.881 178.568 177.584 0.172 0.000 1.080 305 A CA 0.206 52.306 52.037 0.105 0.000 0.779 305 A CB 0.016 19.058 19.000 0.069 0.000 1.026 305 A HN 0.813 nan 8.150 nan 0.000 0.499 306 Y N 2.241 122.554 120.300 0.021 0.000 2.053 306 Y HA -0.129 4.421 4.550 -0.000 0.000 0.277 306 Y C -0.698 175.261 175.900 0.098 0.000 1.159 306 Y CA 2.612 60.748 58.100 0.060 0.000 1.125 306 Y CB -1.561 36.881 38.460 -0.031 0.000 0.969 306 Y HN 0.509 nan 8.280 nan 0.000 0.492 307 P HA -0.180 nan 4.420 nan 0.000 0.216 307 P C 1.488 178.778 177.300 -0.018 0.000 1.153 307 P CA 2.357 65.436 63.100 -0.035 0.000 0.858 307 P CB -0.009 31.697 31.700 0.010 0.000 0.789 308 E N -0.491 119.722 120.200 0.022 0.000 2.077 308 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 308 E C 1.778 178.399 176.600 0.035 0.000 0.989 308 E CA 0.906 57.320 56.400 0.024 0.000 0.800 308 E CB -1.202 28.518 29.700 0.033 0.000 0.746 308 E HN 0.024 nan 8.360 nan 0.000 0.452 309 L N -0.023 121.237 121.223 0.062 0.000 2.046 309 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 309 L C 2.128 179.065 176.870 0.111 0.000 1.077 309 L CA 1.560 56.443 54.840 0.072 0.000 0.747 309 L CB -0.417 41.752 42.059 0.183 0.000 0.896 309 L HN 0.239 nan 8.230 nan 0.000 0.432 310 L N -0.871 120.399 121.223 0.078 0.000 2.017 310 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 310 L C 2.809 179.772 176.870 0.156 0.000 1.073 310 L CA 1.578 56.474 54.840 0.093 0.000 0.745 310 L CB -0.612 41.426 42.059 -0.034 0.000 0.894 310 L HN 0.295 nan 8.230 nan 0.000 0.432 311 R N 0.418 120.999 120.500 0.136 0.000 2.094 311 R HA -0.203 4.137 4.340 -0.000 0.000 0.239 311 R C 2.513 178.931 176.300 0.197 0.000 1.137 311 R CA 1.814 58.055 56.100 0.236 0.000 0.943 311 R CB -0.132 30.206 30.300 0.063 0.000 0.850 311 R HN 0.274 nan 8.270 nan 0.000 0.433 312 R N 0.181 120.738 120.500 0.094 0.000 2.091 312 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 312 R C 2.463 178.774 176.300 0.017 0.000 1.136 312 R CA 1.513 57.642 56.100 0.049 0.000 0.959 312 R CB -0.412 29.894 30.300 0.011 0.000 0.856 312 R HN 0.279 nan 8.270 nan 0.000 0.437 313 L N 0.074 121.299 121.223 0.003 0.000 1.989 313 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 313 L C 2.416 179.191 176.870 -0.159 0.000 1.071 313 L CA 1.255 56.038 54.840 -0.095 0.000 0.749 313 L CB -0.495 41.470 42.059 -0.157 0.000 0.890 313 L HN 0.052 nan 8.230 nan 0.000 0.431 314 V N -0.385 119.472 119.914 -0.095 0.000 2.255 314 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 314 V C 2.490 178.504 176.094 -0.133 0.000 1.051 314 V CA 1.988 64.208 62.300 -0.135 0.000 1.018 314 V CB -0.469 31.289 31.823 -0.108 0.000 0.641 314 V HN 0.402 nan 8.190 nan 0.000 0.445 315 E N 0.073 120.245 120.200 -0.048 0.000 2.130 315 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 315 E C 1.996 178.565 176.600 -0.053 0.000 0.998 315 E CA 1.376 57.758 56.400 -0.031 0.000 0.806 315 E CB -0.452 29.278 29.700 0.050 0.000 0.738 315 E HN 0.561 nan 8.360 nan 0.000 0.459 316 L N -0.629 120.560 121.223 -0.057 0.000 2.275 316 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 316 L C 2.240 179.046 176.870 -0.108 0.000 1.119 316 L CA 0.785 55.588 54.840 -0.061 0.000 0.790 316 L CB -0.377 41.655 42.059 -0.045 0.000 0.919 316 L HN 0.154 nan 8.230 nan 0.000 0.443 317 A N 0.038 122.768 122.820 -0.150 0.000 2.019 317 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 317 A C 2.016 179.498 177.584 -0.171 0.000 1.164 317 A CA 1.297 53.215 52.037 -0.198 0.000 0.644 317 A CB -0.486 18.393 19.000 -0.203 0.000 0.805 317 A HN 0.444 nan 8.150 nan 0.000 0.449 318 L N -0.481 120.668 121.223 -0.124 0.000 2.592 318 L HA 0.114 4.454 4.340 -0.000 0.000 0.227 318 L C 0.461 177.285 176.870 -0.077 0.000 1.127 318 L CA 0.032 54.814 54.840 -0.097 0.000 0.884 318 L CB -0.811 41.201 42.059 -0.079 0.000 1.065 318 L HN 0.308 nan 8.230 nan 0.000 0.457 319 T N 0.000 114.507 114.554 -0.079 0.000 3.816 319 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 319 T CA 0.000 62.069 62.100 -0.052 0.000 1.349 319 T CB 0.000 68.837 68.868 -0.052 0.000 0.612 319 T HN 0.000 nan 8.240 nan 0.000 0.658