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 1t5e_1_I DATA FIRST_RESID 29 DATA SEQUENCE TELPGRTNAF RIAEVRPQVN GIILKRLFKE GSDVKAGQQL YQIDPATYEA DATA SEQUENCE DYQSAQANLA STQEQAQRYK LLVADQAVSK QQYADANAAY LQSKAAVEQA DATA SEQUENCE RINLRYTKVL SPISGRIGRS AVTEGALVTN GQANAMATVQ QLDPIYVDVT DATA SEQUENCE QPSTALLRLR RELASGQLER AGDNAAKVSL KLEDGSQYPL EGRLEFSEVS DATA SEQUENCE VDEGTGSVTI RAVFPNPNNE LLPGMFVHAQ L 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 29 T HA 0.000 nan 4.350 nan 0.000 0.228 29 T C 0.000 174.730 174.700 0.050 0.000 1.109 29 T CA 0.000 62.124 62.100 0.041 0.000 1.349 29 T CB 0.000 68.901 68.868 0.054 0.000 0.612 30 E N 2.787 123.005 120.200 0.031 0.000 2.109 30 E HA 0.472 4.822 4.350 0.000 0.000 0.278 30 E C -0.527 176.132 176.600 0.099 0.000 0.954 30 E CA -0.620 55.803 56.400 0.038 0.000 0.779 30 E CB 1.100 30.752 29.700 -0.081 0.000 1.093 30 E HN 0.448 nan 8.360 nan 0.000 0.401 31 L N 6.363 127.682 121.223 0.160 0.000 2.272 31 L HA 0.425 4.765 4.340 0.000 0.000 0.289 31 L C -2.065 174.956 176.870 0.252 0.000 1.032 31 L CA -2.155 52.790 54.840 0.174 0.000 0.810 31 L CB 0.848 42.981 42.059 0.124 0.000 1.205 31 L HN 0.288 nan 8.230 nan 0.000 0.422 32 P HA 0.368 nan 4.420 nan 0.000 0.274 32 P C -0.313 176.973 177.300 -0.023 0.000 1.231 32 P CA -0.004 63.144 63.100 0.079 0.000 0.790 32 P CB 2.002 33.782 31.700 0.134 0.000 0.951 33 G N 1.333 110.057 108.800 -0.127 0.000 2.495 33 G HA2 0.486 4.446 3.960 0.000 0.000 0.294 33 G HA3 0.486 4.446 3.960 0.000 0.000 0.294 33 G C -1.526 173.263 174.900 -0.186 0.000 1.397 33 G CA -0.670 44.365 45.100 -0.108 0.000 0.790 33 G HN 0.342 nan 8.290 nan 0.000 0.486 34 R N 0.183 120.566 120.500 -0.195 0.000 2.670 34 R HA 0.650 4.990 4.340 0.000 0.000 0.289 34 R C -0.058 176.144 176.300 -0.164 0.000 0.965 34 R CA -0.592 55.341 56.100 -0.279 0.000 0.899 34 R CB 1.434 31.518 30.300 -0.360 0.000 1.173 34 R HN 0.843 nan 8.270 nan 0.000 0.456 35 T N 0.032 114.489 114.554 -0.161 0.000 2.897 35 T HA 0.477 4.827 4.350 0.000 0.000 0.294 35 T C 0.168 174.840 174.700 -0.047 0.000 1.004 35 T CA -0.706 61.342 62.100 -0.087 0.000 1.106 35 T CB 0.914 69.715 68.868 -0.112 0.000 0.949 35 T HN 0.315 nan 8.240 nan 0.000 0.520 36 N N 0.003 118.725 118.700 0.036 0.000 2.329 36 N HA 0.544 5.284 4.740 0.000 0.000 0.282 36 N C -0.618 174.968 175.510 0.127 0.000 1.198 36 N CA -0.677 52.410 53.050 0.062 0.000 0.790 36 N CB 2.211 40.739 38.487 0.068 0.000 1.579 36 N HN 0.959 nan 8.380 nan 0.000 0.475 37 A N 0.492 123.372 122.820 0.099 0.000 2.507 37 A HA 0.069 4.389 4.320 0.000 0.000 0.235 37 A C 0.749 178.457 177.584 0.207 0.000 1.070 37 A CA 0.131 52.235 52.037 0.112 0.000 0.768 37 A CB -0.206 18.838 19.000 0.074 0.000 1.011 37 A HN 0.708 nan 8.150 nan 0.000 0.502 38 F N 0.571 120.480 119.950 -0.068 0.000 2.456 38 F HA 0.194 4.721 4.527 0.000 0.000 0.298 38 F C 1.113 176.922 175.800 0.015 0.000 1.104 38 F CA 1.303 59.168 58.000 -0.225 0.000 1.435 38 F CB 0.057 38.837 39.000 -0.367 0.000 1.078 38 F HN 0.638 nan 8.300 nan 0.000 0.546 39 R N 0.572 121.133 120.500 0.101 0.000 2.633 39 R HA 0.347 4.687 4.340 0.000 0.000 0.255 39 R C -2.083 174.239 176.300 0.037 0.000 1.106 39 R CA -0.569 55.546 56.100 0.026 0.000 0.959 39 R CB 1.089 31.405 30.300 0.027 0.000 1.259 39 R HN -0.115 nan 8.270 nan 0.000 0.453 40 I N 2.125 122.703 120.570 0.014 0.000 2.646 40 I HA 0.770 4.941 4.170 0.000 0.000 0.299 40 I C -0.347 175.770 176.117 0.001 0.000 1.036 40 I CA -0.840 60.465 61.300 0.010 0.000 1.074 40 I CB 1.657 39.661 38.000 0.007 0.000 1.258 40 I HN 0.787 nan 8.210 nan 0.000 0.430 41 A N 4.510 127.329 122.820 -0.001 0.000 2.539 41 A HA 0.759 5.079 4.320 0.000 0.000 0.296 41 A C -0.970 176.612 177.584 -0.005 0.000 1.073 41 A CA -0.621 51.413 52.037 -0.004 0.000 0.700 41 A CB 2.017 21.013 19.000 -0.007 0.000 1.296 41 A HN 0.731 nan 8.150 nan 0.000 0.405 42 E N 0.229 120.428 120.200 -0.001 0.000 2.195 42 E HA 0.558 4.908 4.350 0.000 0.000 0.271 42 E C -1.172 175.434 176.600 0.009 0.000 0.923 42 E CA -0.853 55.549 56.400 0.004 0.000 0.790 42 E CB 2.348 32.049 29.700 0.003 0.000 1.155 42 E HN 0.410 nan 8.360 nan 0.000 0.402 43 V N 3.042 122.968 119.914 0.021 0.000 2.394 43 V HA 0.531 4.651 4.120 0.000 0.000 0.282 43 V C -0.049 176.057 176.094 0.020 0.000 1.031 43 V CA -0.583 61.741 62.300 0.041 0.000 0.881 43 V CB 0.996 32.877 31.823 0.096 0.000 0.982 43 V HN 0.620 nan 8.190 nan 0.000 0.451 44 R N 4.347 124.849 120.500 0.004 0.000 2.707 44 R HA 0.565 4.905 4.340 0.000 0.000 0.272 44 R C -2.918 173.359 176.300 -0.039 0.000 1.011 44 R CA -1.530 54.552 56.100 -0.030 0.000 0.893 44 R CB 2.865 33.148 30.300 -0.027 0.000 1.233 44 R HN 0.516 nan 8.270 nan 0.000 0.464 45 P HA 0.175 nan 4.420 nan 0.000 0.281 45 P C -1.002 176.235 177.300 -0.104 0.000 1.249 45 P CA -0.366 62.692 63.100 -0.070 0.000 0.810 45 P CB 1.196 32.847 31.700 -0.082 0.000 1.008 46 Q N -0.110 119.594 119.800 -0.161 0.000 2.084 46 Q HA 0.408 4.748 4.340 0.000 0.000 0.230 46 Q C -0.364 175.381 176.000 -0.425 0.000 0.806 46 Q CA -0.176 55.404 55.803 -0.372 0.000 1.083 46 Q CB 1.503 29.830 28.738 -0.685 0.000 1.208 46 Q HN 0.198 nan 8.270 nan 0.000 0.462 47 V N 0.091 119.881 119.914 -0.206 0.000 3.178 47 V HA 0.345 4.465 4.120 0.000 0.000 0.302 47 V C -1.637 174.459 176.094 0.003 0.000 1.262 47 V CA -0.752 61.460 62.300 -0.147 0.000 1.030 47 V CB 2.687 34.374 31.823 -0.228 0.000 1.074 47 V HN 0.274 nan 8.190 nan 0.000 0.438 48 N N 1.941 120.714 118.700 0.121 0.000 2.509 48 N HA 0.799 5.539 4.740 0.000 0.000 0.287 48 N C -0.059 175.567 175.510 0.193 0.000 1.121 48 N CA 0.309 53.435 53.050 0.127 0.000 0.977 48 N CB 1.704 40.250 38.487 0.098 0.000 1.167 48 N HN 1.153 nan 8.380 nan 0.000 0.476 49 G N 0.436 109.291 108.800 0.092 0.000 2.345 49 G HA2 0.112 4.072 3.960 0.000 0.000 0.285 49 G HA3 0.112 4.072 3.960 0.000 0.000 0.285 49 G C -1.927 172.995 174.900 0.036 0.000 1.297 49 G CA -0.780 44.360 45.100 0.066 0.000 0.875 49 G HN 0.304 nan 8.290 nan 0.000 0.506 50 I N 1.357 121.945 120.570 0.029 0.000 2.359 50 I HA 0.354 4.524 4.170 0.000 0.000 0.294 50 I C 0.473 176.614 176.117 0.040 0.000 0.987 50 I CA -0.996 60.318 61.300 0.023 0.000 1.225 50 I CB 1.412 39.419 38.000 0.011 0.000 1.366 50 I HN 0.317 nan 8.210 nan 0.000 0.466 51 I N 6.898 127.488 120.570 0.034 0.000 2.576 51 I HA -0.095 4.075 4.170 0.000 0.000 0.288 51 I C 1.197 177.359 176.117 0.075 0.000 1.126 51 I CA 0.159 61.497 61.300 0.064 0.000 1.362 51 I CB 0.136 38.175 38.000 0.065 0.000 1.419 51 I HN 0.526 nan 8.210 nan 0.000 0.533 52 L N 7.751 129.024 121.223 0.084 0.000 2.007 52 L HA 0.030 4.370 4.340 0.000 0.000 0.205 52 L C 0.936 177.846 176.870 0.066 0.000 1.073 52 L CA 1.851 56.730 54.840 0.065 0.000 0.744 52 L CB -0.080 42.017 42.059 0.063 0.000 0.898 52 L HN 0.515 nan 8.230 nan 0.000 0.435 53 K N -0.949 119.505 120.400 0.090 0.000 2.477 53 K HA 0.378 4.698 4.320 0.000 0.000 0.255 53 K C -0.859 175.792 176.600 0.086 0.000 0.952 53 K CA -0.823 55.501 56.287 0.062 0.000 0.826 53 K CB 2.334 34.854 32.500 0.033 0.000 1.331 53 K HN -0.212 nan 8.250 nan 0.000 0.437 54 R N 3.989 124.474 120.500 -0.024 0.000 2.423 54 R HA 0.207 4.547 4.340 0.000 0.000 0.293 54 R C -0.295 175.823 176.300 -0.303 0.000 1.196 54 R CA -0.300 55.670 56.100 -0.218 0.000 1.262 54 R CB 0.007 30.123 30.300 -0.307 0.000 1.116 54 R HN 0.680 nan 8.270 nan 0.000 0.566 55 L N 5.361 126.493 121.223 -0.151 0.000 3.062 55 L HA 0.141 4.481 4.340 0.000 0.000 0.264 55 L C -0.190 176.687 176.870 0.013 0.000 1.242 55 L CA 0.180 54.983 54.840 -0.061 0.000 1.072 55 L CB -1.487 40.580 42.059 0.014 0.000 1.420 55 L HN 0.331 nan 8.230 nan 0.000 0.412 56 F N -1.998 117.853 119.950 -0.164 0.000 2.654 56 F HA 0.537 5.064 4.527 0.000 0.000 0.308 56 F C -0.591 175.151 175.800 -0.096 0.000 1.108 56 F CA -1.733 56.191 58.000 -0.127 0.000 0.957 56 F CB 1.293 40.201 39.000 -0.153 0.000 1.309 56 F HN -0.227 nan 8.300 nan 0.000 0.446 57 K N 2.625 123.103 120.400 0.130 0.000 2.248 57 K HA 0.208 4.528 4.320 0.000 0.000 0.281 57 K C -0.467 176.238 176.600 0.174 0.000 1.054 57 K CA -0.275 56.036 56.287 0.039 0.000 0.903 57 K CB 0.640 33.163 32.500 0.038 0.000 1.077 57 K HN 0.834 nan 8.250 nan 0.000 0.474 58 E N 2.368 122.610 120.200 0.069 0.000 2.529 58 E HA -0.056 4.294 4.350 0.000 0.000 0.259 58 E C 0.745 177.421 176.600 0.127 0.000 0.966 58 E CA 0.962 57.465 56.400 0.173 0.000 0.937 58 E CB 0.271 30.017 29.700 0.077 0.000 0.923 58 E HN 0.998 nan 8.360 nan 0.000 0.468 59 G N 2.550 111.430 108.800 0.133 0.000 2.176 59 G HA2 -0.343 3.617 3.960 0.000 0.000 0.253 59 G HA3 -0.343 3.617 3.960 0.000 0.000 0.253 59 G C 0.509 175.446 174.900 0.062 0.000 0.979 59 G CA 0.466 45.611 45.100 0.076 0.000 0.641 59 G HN 0.695 nan 8.290 nan 0.000 0.530 60 S N -0.586 115.164 115.700 0.084 0.000 2.598 60 S HA 0.603 5.073 4.470 0.000 0.000 0.267 60 S C -0.335 174.279 174.600 0.024 0.000 1.189 60 S CA -0.041 58.193 58.200 0.056 0.000 1.010 60 S CB 1.553 64.799 63.200 0.076 0.000 1.084 60 S HN 0.148 nan 8.310 nan 0.000 0.541 61 D N 0.313 120.721 120.400 0.012 0.000 2.408 61 D HA 0.527 5.167 4.640 0.000 0.000 0.243 61 D C -1.265 175.025 176.300 -0.017 0.000 1.075 61 D CA -0.234 53.761 54.000 -0.008 0.000 0.832 61 D CB 1.935 42.732 40.800 -0.005 0.000 1.162 61 D HN 0.342 nan 8.370 nan 0.000 0.515 62 V N 2.504 122.393 119.914 -0.043 0.000 2.815 62 V HA 0.460 4.580 4.120 0.000 0.000 0.314 62 V C -0.885 175.182 176.094 -0.044 0.000 1.064 62 V CA -0.615 61.652 62.300 -0.054 0.000 0.952 62 V CB 2.228 33.979 31.823 -0.121 0.000 1.020 62 V HN 0.338 nan 8.190 nan 0.000 0.439 63 K N 3.854 124.233 120.400 -0.034 0.000 2.159 63 K HA 0.733 5.053 4.320 0.000 0.000 0.266 63 K C -0.166 176.419 176.600 -0.026 0.000 0.975 63 K CA -0.284 55.988 56.287 -0.025 0.000 0.865 63 K CB 1.758 34.249 32.500 -0.016 0.000 1.087 63 K HN 0.930 nan 8.250 nan 0.000 0.446 64 A N 1.391 124.200 122.820 -0.019 0.000 2.567 64 A HA 0.325 4.645 4.320 0.000 0.000 0.240 64 A C 1.222 178.797 177.584 -0.014 0.000 1.053 64 A CA 1.209 53.236 52.037 -0.016 0.000 0.755 64 A CB -0.780 18.215 19.000 -0.008 0.000 0.978 64 A HN 0.986 nan 8.150 nan 0.000 0.507 65 G N 0.772 109.564 108.800 -0.014 0.000 2.194 65 G HA2 -0.234 3.726 3.960 0.000 0.000 0.236 65 G HA3 -0.234 3.726 3.960 0.000 0.000 0.236 65 G C 0.380 175.274 174.900 -0.009 0.000 0.987 65 G CA 0.425 45.517 45.100 -0.012 0.000 0.635 65 G HN 1.117 nan 8.290 nan 0.000 0.520 66 Q N 0.832 120.625 119.800 -0.013 0.000 2.304 66 Q HA 0.413 4.753 4.340 0.000 0.000 0.260 66 Q C 0.585 176.587 176.000 0.002 0.000 0.965 66 Q CA -0.271 55.527 55.803 -0.008 0.000 0.898 66 Q CB 0.425 29.152 28.738 -0.018 0.000 1.196 66 Q HN 0.517 nan 8.270 nan 0.000 0.402 67 Q N 3.922 123.733 119.800 0.019 0.000 2.255 67 Q HA -0.018 4.322 4.340 0.000 0.000 0.280 67 Q C -0.087 175.945 176.000 0.054 0.000 1.068 67 Q CA 0.218 56.048 55.803 0.045 0.000 0.911 67 Q CB 0.553 29.320 28.738 0.048 0.000 1.157 67 Q HN 0.827 nan 8.270 nan 0.000 0.380 68 L N 3.737 125.009 121.223 0.081 0.000 2.470 68 L HA 0.208 4.548 4.340 0.000 0.000 0.219 68 L C -0.246 176.615 176.870 -0.015 0.000 1.071 68 L CA 0.193 55.064 54.840 0.050 0.000 0.850 68 L CB 0.272 42.304 42.059 -0.045 0.000 1.040 68 L HN 0.677 nan 8.230 nan 0.000 0.475 69 Y N -1.164 119.237 120.300 0.168 0.000 2.625 69 Y HA 0.496 5.046 4.550 0.000 0.000 0.338 69 Y C -0.541 175.413 175.900 0.089 0.000 1.123 69 Y CA -1.073 57.109 58.100 0.136 0.000 1.046 69 Y CB 1.637 40.176 38.460 0.133 0.000 1.299 69 Y HN -0.217 nan 8.280 nan 0.000 0.464 70 Q N 1.693 121.654 119.800 0.268 0.000 2.292 70 Q HA 0.572 4.912 4.340 0.000 0.000 0.270 70 Q C -1.945 174.148 176.000 0.155 0.000 1.024 70 Q CA -0.233 55.670 55.803 0.166 0.000 0.768 70 Q CB 1.371 30.177 28.738 0.114 0.000 1.250 70 Q HN 0.653 nan 8.270 nan 0.000 0.447 71 I N 2.835 123.488 120.570 0.138 0.000 2.353 71 I HA 0.192 4.362 4.170 0.000 0.000 0.293 71 I C -0.026 176.170 176.117 0.132 0.000 0.992 71 I CA -0.841 60.536 61.300 0.128 0.000 1.268 71 I CB 1.233 39.318 38.000 0.142 0.000 1.387 71 I HN 0.709 nan 8.210 nan 0.000 0.478 72 D N 9.373 129.831 120.400 0.097 0.000 2.554 72 D HA -0.040 4.600 4.640 0.000 0.000 0.251 72 D C -1.563 174.797 176.300 0.098 0.000 1.213 72 D CA -1.097 52.947 54.000 0.073 0.000 0.900 72 D CB 0.855 41.674 40.800 0.033 0.000 1.135 72 D HN 0.277 nan 8.370 nan 0.000 0.522 73 P HA 0.121 nan 4.420 nan 0.000 0.267 73 P C 0.972 178.327 177.300 0.092 0.000 1.289 73 P CA 0.004 63.203 63.100 0.166 0.000 0.866 73 P CB 0.408 32.199 31.700 0.151 0.000 1.309 74 A N 1.271 124.113 122.820 0.037 0.000 1.929 74 A HA -0.242 4.078 4.320 0.000 0.000 0.221 74 A C 2.179 179.766 177.584 0.005 0.000 1.211 74 A CA 3.069 55.116 52.037 0.018 0.000 0.657 74 A CB -1.873 17.125 19.000 -0.002 0.000 0.827 74 A HN 0.294 nan 8.150 nan 0.000 0.462 75 T N -1.908 112.608 114.554 -0.064 0.000 2.770 75 T HA -0.055 4.295 4.350 0.000 0.000 0.258 75 T C 1.792 176.472 174.700 -0.033 0.000 1.039 75 T CA 1.347 63.386 62.100 -0.101 0.000 1.143 75 T CB -0.586 68.143 68.868 -0.232 0.000 0.866 75 T HN 0.544 nan 8.240 nan 0.000 0.428 76 Y N 1.635 121.964 120.300 0.048 0.000 2.151 76 Y HA -0.223 4.327 4.550 0.000 0.000 0.284 76 Y C 2.872 178.827 175.900 0.093 0.000 1.166 76 Y CA 1.280 59.416 58.100 0.060 0.000 1.163 76 Y CB -0.221 38.264 38.460 0.042 0.000 0.974 76 Y HN 0.207 nan 8.280 nan 0.000 0.511 77 E N 0.649 120.992 120.200 0.238 0.000 2.110 77 E HA -0.193 4.157 4.350 0.000 0.000 0.193 77 E C 2.104 178.816 176.600 0.188 0.000 0.988 77 E CA 1.335 57.858 56.400 0.204 0.000 0.804 77 E CB -0.334 29.451 29.700 0.141 0.000 0.745 77 E HN 0.353 nan 8.360 nan 0.000 0.458 78 A N 0.653 123.547 122.820 0.122 0.000 1.897 78 A HA -0.137 4.183 4.320 0.000 0.000 0.215 78 A C 1.892 179.529 177.584 0.088 0.000 1.181 78 A CA 1.644 53.729 52.037 0.080 0.000 0.620 78 A CB -0.529 18.494 19.000 0.038 0.000 0.821 78 A HN 0.263 nan 8.150 nan 0.000 0.443 79 D N -1.557 118.913 120.400 0.117 0.000 2.144 79 D HA -0.135 4.505 4.640 0.000 0.000 0.200 79 D C 1.662 178.057 176.300 0.158 0.000 0.978 79 D CA 1.360 55.431 54.000 0.119 0.000 0.833 79 D CB -0.417 40.470 40.800 0.144 0.000 0.961 79 D HN 0.557 nan 8.370 nan 0.000 0.470 80 Y N 1.836 122.179 120.300 0.072 0.000 2.181 80 Y HA -0.180 4.370 4.550 0.000 0.000 0.288 80 Y C 2.146 178.069 175.900 0.038 0.000 1.146 80 Y CA 1.637 59.770 58.100 0.055 0.000 1.164 80 Y CB -0.171 38.325 38.460 0.059 0.000 0.982 80 Y HN -0.020 nan 8.280 nan 0.000 0.515 81 Q N -1.482 118.283 119.800 -0.059 0.000 2.269 81 Q HA -0.099 4.241 4.340 0.000 0.000 0.201 81 Q C 2.509 178.444 176.000 -0.108 0.000 0.946 81 Q CA 1.034 56.735 55.803 -0.169 0.000 0.877 81 Q CB -0.099 28.612 28.738 -0.045 0.000 0.963 81 Q HN 0.396 nan 8.270 nan 0.000 0.472 82 S N 0.656 116.333 115.700 -0.038 0.000 2.382 82 S HA -0.150 4.320 4.470 0.000 0.000 0.228 82 S C 1.922 176.497 174.600 -0.041 0.000 1.027 82 S CA 1.070 59.255 58.200 -0.024 0.000 0.991 82 S CB -0.072 63.132 63.200 0.005 0.000 0.823 82 S HN 0.443 nan 8.310 nan 0.000 0.469 83 A N 1.089 123.878 122.820 -0.052 0.000 1.832 83 A HA -0.117 4.203 4.320 0.000 0.000 0.214 83 A C 2.073 179.596 177.584 -0.102 0.000 1.200 83 A CA 1.661 53.665 52.037 -0.055 0.000 0.610 83 A CB -1.170 17.818 19.000 -0.020 0.000 0.842 83 A HN 0.659 nan 8.150 nan 0.000 0.444 84 Q N -0.592 119.081 119.800 -0.211 0.000 2.197 84 Q HA -0.274 4.066 4.340 0.000 0.000 0.211 84 Q C 2.325 178.262 176.000 -0.105 0.000 0.993 84 Q CA 1.627 57.308 55.803 -0.203 0.000 0.883 84 Q CB -0.507 28.020 28.738 -0.353 0.000 0.916 84 Q HN 0.714 nan 8.270 nan 0.000 0.418 85 A N 1.434 124.200 122.820 -0.089 0.000 1.858 85 A HA -0.258 4.062 4.320 0.000 0.000 0.216 85 A C 1.945 179.516 177.584 -0.023 0.000 1.190 85 A CA 1.628 53.637 52.037 -0.046 0.000 0.617 85 A CB -0.818 18.160 19.000 -0.037 0.000 0.827 85 A HN 0.404 nan 8.150 nan 0.000 0.443 86 N N 0.150 118.836 118.700 -0.024 0.000 2.018 86 N HA -0.191 4.550 4.740 0.000 0.000 0.196 86 N C 1.792 177.307 175.510 0.008 0.000 1.043 86 N CA 2.027 55.072 53.050 -0.007 0.000 0.856 86 N CB -0.471 38.008 38.487 -0.013 0.000 1.042 86 N HN 0.335 nan 8.380 nan 0.000 0.423 87 L N 1.562 122.784 121.223 -0.002 0.000 1.990 87 L HA -0.112 4.228 4.340 0.000 0.000 0.213 87 L C 2.413 179.328 176.870 0.075 0.000 1.072 87 L CA 2.354 57.211 54.840 0.028 0.000 0.755 87 L CB -1.429 40.628 42.059 -0.003 0.000 0.889 87 L HN 0.250 nan 8.230 nan 0.000 0.432 88 A N -1.405 121.439 122.820 0.039 0.000 1.948 88 A HA -0.289 4.031 4.320 0.000 0.000 0.220 88 A C 2.538 180.154 177.584 0.053 0.000 1.177 88 A CA 2.364 54.427 52.037 0.044 0.000 0.636 88 A CB -1.206 17.802 19.000 0.014 0.000 0.815 88 A HN 0.640 nan 8.150 nan 0.000 0.449 89 S N -0.724 115.003 115.700 0.046 0.000 2.329 89 S HA -0.158 4.312 4.470 0.000 0.000 0.215 89 S C 2.303 176.945 174.600 0.070 0.000 1.031 89 S CA 2.437 60.666 58.200 0.048 0.000 0.985 89 S CB -0.924 62.296 63.200 0.033 0.000 0.917 89 S HN 0.829 nan 8.310 nan 0.000 0.441 90 T N -0.155 114.450 114.554 0.085 0.000 2.759 90 T HA -0.174 4.176 4.350 0.000 0.000 0.269 90 T C 1.977 176.778 174.700 0.168 0.000 1.042 90 T CA 1.696 63.864 62.100 0.114 0.000 1.140 90 T CB -0.763 68.175 68.868 0.118 0.000 0.864 90 T HN 0.576 nan 8.240 nan 0.000 0.455 91 Q N 0.532 120.465 119.800 0.222 0.000 2.124 91 Q HA -0.181 4.159 4.340 0.000 0.000 0.202 91 Q C 2.537 178.536 176.000 -0.002 0.000 0.977 91 Q CA 1.477 57.361 55.803 0.136 0.000 0.850 91 Q CB -0.119 28.744 28.738 0.208 0.000 0.901 91 Q HN 0.610 nan 8.270 nan 0.000 0.429 92 E N 0.519 120.746 120.200 0.046 0.000 2.028 92 E HA -0.261 4.089 4.350 0.000 0.000 0.191 92 E C 1.930 178.570 176.600 0.066 0.000 0.988 92 E CA 1.651 58.073 56.400 0.037 0.000 0.799 92 E CB -0.132 29.594 29.700 0.042 0.000 0.755 92 E HN 0.350 nan 8.360 nan 0.000 0.447 93 Q N 0.706 120.565 119.800 0.099 0.000 2.096 93 Q HA -0.211 4.129 4.340 0.000 0.000 0.208 93 Q C 1.937 178.086 176.000 0.248 0.000 0.993 93 Q CA 2.783 58.693 55.803 0.177 0.000 0.862 93 Q CB -0.613 28.201 28.738 0.127 0.000 0.915 93 Q HN 0.316 nan 8.270 nan 0.000 0.416 94 A N 0.080 122.972 122.820 0.120 0.000 1.835 94 A HA -0.265 4.055 4.320 0.000 0.000 0.215 94 A C 2.026 179.715 177.584 0.176 0.000 1.199 94 A CA 1.791 53.896 52.037 0.115 0.000 0.615 94 A CB -0.892 18.057 19.000 -0.084 0.000 0.838 94 A HN 0.605 nan 8.150 nan 0.000 0.444 95 Q N -1.094 118.723 119.800 0.028 0.000 2.268 95 Q HA -0.233 4.107 4.340 0.000 0.000 0.210 95 Q C 2.267 178.290 176.000 0.039 0.000 0.988 95 Q CA 1.771 57.581 55.803 0.012 0.000 0.883 95 Q CB -0.190 28.524 28.738 -0.039 0.000 0.911 95 Q HN 0.648 nan 8.270 nan 0.000 0.430 96 R N -0.683 119.864 120.500 0.079 0.000 2.080 96 R HA -0.088 4.252 4.340 0.000 0.000 0.222 96 R C 1.611 177.910 176.300 -0.002 0.000 1.107 96 R CA 0.883 56.995 56.100 0.019 0.000 0.980 96 R CB 0.029 30.331 30.300 0.003 0.000 0.879 96 R HN 0.245 nan 8.270 nan 0.000 0.439 97 Y N 0.776 121.121 120.300 0.076 0.000 2.293 97 Y HA -0.158 4.392 4.550 0.000 0.000 0.291 97 Y C 2.234 178.159 175.900 0.041 0.000 1.137 97 Y CA 1.511 59.690 58.100 0.131 0.000 1.202 97 Y CB -0.033 38.581 38.460 0.257 0.000 0.990 97 Y HN 0.016 nan 8.280 nan 0.000 0.537 98 K N 0.004 120.456 120.400 0.086 0.000 2.209 98 K HA -0.195 4.125 4.320 0.000 0.000 0.204 98 K C 1.886 178.318 176.600 -0.279 0.000 1.048 98 K CA 1.031 57.046 56.287 -0.453 0.000 0.940 98 K CB -0.268 32.090 32.500 -0.236 0.000 0.729 98 K HN 0.267 nan 8.250 nan 0.000 0.451 99 L N 0.782 121.926 121.223 -0.132 0.000 2.034 99 L HA -0.035 4.305 4.340 0.000 0.000 0.203 99 L C 1.766 178.568 176.870 -0.113 0.000 1.074 99 L CA 1.435 56.206 54.840 -0.114 0.000 0.748 99 L CB -0.403 41.603 42.059 -0.087 0.000 0.905 99 L HN 0.152 nan 8.230 nan 0.000 0.439 100 L N -1.159 119.992 121.223 -0.120 0.000 2.127 100 L HA -0.189 4.151 4.340 0.000 0.000 0.211 100 L C 2.628 179.460 176.870 -0.064 0.000 1.089 100 L CA 1.177 55.950 54.840 -0.112 0.000 0.757 100 L CB -0.796 41.149 42.059 -0.191 0.000 0.899 100 L HN 0.258 nan 8.230 nan 0.000 0.434 101 V N 0.249 120.129 119.914 -0.056 0.000 2.453 101 V HA -0.173 3.947 4.120 0.000 0.000 0.247 101 V C 2.529 178.580 176.094 -0.071 0.000 1.048 101 V CA 1.693 63.972 62.300 -0.034 0.000 1.049 101 V CB -0.056 31.734 31.823 -0.055 0.000 0.672 101 V HN 0.439 nan 8.190 nan 0.000 0.457 102 A N -0.986 121.765 122.820 -0.117 0.000 2.216 102 A HA -0.097 4.223 4.320 0.000 0.000 0.214 102 A C 1.334 178.880 177.584 -0.062 0.000 1.160 102 A CA 1.602 53.583 52.037 -0.095 0.000 0.725 102 A CB -0.371 18.562 19.000 -0.112 0.000 0.784 102 A HN 0.623 nan 8.150 nan 0.000 0.472 103 D N -1.082 119.285 120.400 -0.056 0.000 2.538 103 D HA 0.146 4.786 4.640 0.000 0.000 0.231 103 D C 0.260 176.542 176.300 -0.030 0.000 1.229 103 D CA -0.042 53.932 54.000 -0.042 0.000 0.828 103 D CB 0.298 41.069 40.800 -0.048 0.000 1.035 103 D HN 0.052 nan 8.370 nan 0.000 0.495 104 Q N -0.468 119.319 119.800 -0.022 0.000 2.436 104 Q HA -0.279 4.061 4.340 0.000 0.000 0.264 104 Q C 0.890 176.886 176.000 -0.007 0.000 1.093 104 Q CA 0.817 56.615 55.803 -0.007 0.000 0.994 104 Q CB -1.510 27.224 28.738 -0.006 0.000 1.434 104 Q HN 0.476 nan 8.270 nan 0.000 0.520 105 A N -1.324 121.486 122.820 -0.017 0.000 2.178 105 A HA 0.339 4.659 4.320 0.000 0.000 0.211 105 A C 0.741 178.319 177.584 -0.009 0.000 1.157 105 A CA 0.941 52.964 52.037 -0.024 0.000 0.780 105 A CB 0.849 19.819 19.000 -0.050 0.000 0.828 105 A HN 0.255 nan 8.150 nan 0.000 0.476 106 V N -0.254 119.670 119.914 0.018 0.000 3.048 106 V HA 0.487 4.607 4.120 0.000 0.000 0.303 106 V C -0.017 176.136 176.094 0.098 0.000 1.214 106 V CA -0.231 62.111 62.300 0.070 0.000 0.984 106 V CB 2.155 34.040 31.823 0.103 0.000 1.054 106 V HN 0.568 nan 8.190 nan 0.000 0.430 107 S N 4.704 120.469 115.700 0.109 0.000 2.584 107 S HA 0.246 4.716 4.470 0.000 0.000 0.270 107 S C 0.884 175.564 174.600 0.133 0.000 1.346 107 S CA 0.273 58.531 58.200 0.097 0.000 1.018 107 S CB 0.785 64.031 63.200 0.077 0.000 0.899 107 S HN 0.821 nan 8.310 nan 0.000 0.542 108 K N 0.482 120.949 120.400 0.111 0.000 2.211 108 K HA -0.142 4.178 4.320 0.000 0.000 0.203 108 K C 2.212 178.888 176.600 0.125 0.000 1.050 108 K CA 1.279 57.653 56.287 0.146 0.000 0.945 108 K CB -0.223 32.342 32.500 0.108 0.000 0.732 108 K HN 0.658 nan 8.250 nan 0.000 0.451 109 Q N 1.679 121.525 119.800 0.077 0.000 2.046 109 Q HA -0.160 4.180 4.340 0.000 0.000 0.200 109 Q C 1.885 177.889 176.000 0.007 0.000 0.975 109 Q CA 1.694 57.516 55.803 0.031 0.000 0.836 109 Q CB -0.005 28.746 28.738 0.022 0.000 0.896 109 Q HN 0.306 nan 8.270 nan 0.000 0.428 110 Q N -1.163 118.666 119.800 0.049 0.000 2.030 110 Q HA -0.226 4.114 4.340 0.000 0.000 0.204 110 Q C 1.931 177.894 176.000 -0.061 0.000 0.986 110 Q CA 1.708 57.514 55.803 0.004 0.000 0.843 110 Q CB -0.541 28.301 28.738 0.173 0.000 0.904 110 Q HN 0.485 nan 8.270 nan 0.000 0.420 111 Y N 1.231 121.559 120.300 0.046 0.000 2.256 111 Y HA -0.227 4.323 4.550 0.000 0.000 0.288 111 Y C 2.159 178.048 175.900 -0.019 0.000 1.155 111 Y CA 1.003 59.132 58.100 0.048 0.000 1.203 111 Y CB -0.499 38.020 38.460 0.099 0.000 0.980 111 Y HN 0.107 nan 8.280 nan 0.000 0.530 112 A N 0.119 122.796 122.820 -0.239 0.000 1.855 112 A HA -0.170 4.150 4.320 0.000 0.000 0.215 112 A C 2.060 179.491 177.584 -0.256 0.000 1.191 112 A CA 1.876 53.754 52.037 -0.265 0.000 0.613 112 A CB -0.829 18.114 19.000 -0.096 0.000 0.829 112 A HN 0.506 nan 8.150 nan 0.000 0.442 113 D N 0.246 120.527 120.400 -0.200 0.000 2.097 113 D HA -0.090 4.550 4.640 0.000 0.000 0.195 113 D C 2.290 178.461 176.300 -0.215 0.000 0.989 113 D CA 1.562 55.457 54.000 -0.175 0.000 0.827 113 D CB -0.555 40.155 40.800 -0.150 0.000 0.966 113 D HN 0.412 nan 8.370 nan 0.000 0.456 114 A N 1.556 124.183 122.820 -0.322 0.000 1.873 114 A HA -0.249 4.072 4.320 0.000 0.000 0.218 114 A C 2.035 179.504 177.584 -0.192 0.000 1.193 114 A CA 1.746 53.596 52.037 -0.311 0.000 0.629 114 A CB -0.841 17.879 19.000 -0.466 0.000 0.826 114 A HN 0.202 nan 8.150 nan 0.000 0.447 115 N N 0.210 118.718 118.700 -0.321 0.000 2.289 115 N HA -0.108 4.632 4.740 0.000 0.000 0.184 115 N C 1.819 177.304 175.510 -0.041 0.000 1.016 115 N CA 1.274 54.209 53.050 -0.192 0.000 0.872 115 N CB -0.215 38.005 38.487 -0.445 0.000 0.973 115 N HN 0.422 nan 8.380 nan 0.000 0.433 116 A N 0.863 123.620 122.820 -0.105 0.000 1.873 116 A HA 0.041 4.361 4.320 0.000 0.000 0.215 116 A C 2.424 179.983 177.584 -0.042 0.000 1.186 116 A CA 1.702 53.699 52.037 -0.067 0.000 0.616 116 A CB -0.899 18.052 19.000 -0.082 0.000 0.823 116 A HN 0.388 nan 8.150 nan 0.000 0.442 117 A N -1.126 121.671 122.820 -0.038 0.000 1.858 117 A HA -0.140 4.180 4.320 0.000 0.000 0.216 117 A C 2.144 179.730 177.584 0.003 0.000 1.190 117 A CA 1.803 53.827 52.037 -0.023 0.000 0.617 117 A CB -1.063 17.923 19.000 -0.023 0.000 0.827 117 A HN 0.821 nan 8.150 nan 0.000 0.443 118 Y N 0.681 120.945 120.300 -0.060 0.000 2.102 118 Y HA -0.259 4.291 4.550 0.000 0.000 0.280 118 Y C 1.916 177.801 175.900 -0.025 0.000 1.178 118 Y CA 2.083 60.162 58.100 -0.034 0.000 1.146 118 Y CB -0.509 37.934 38.460 -0.028 0.000 0.968 118 Y HN 0.221 nan 8.280 nan 0.000 0.504 119 L N -0.109 120.967 121.223 -0.245 0.000 2.093 119 L HA -0.251 4.089 4.340 0.000 0.000 0.208 119 L C 2.572 179.302 176.870 -0.234 0.000 1.085 119 L CA 1.616 56.270 54.840 -0.310 0.000 0.755 119 L CB -0.577 41.423 42.059 -0.098 0.000 0.904 119 L HN 0.343 nan 8.230 nan 0.000 0.435 120 Q N -0.663 119.049 119.800 -0.147 0.000 2.046 120 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 120 Q C 2.417 178.350 176.000 -0.112 0.000 0.975 120 Q CA 1.802 57.544 55.803 -0.101 0.000 0.836 120 Q CB -0.175 28.524 28.738 -0.064 0.000 0.896 120 Q HN 0.419 nan 8.270 nan 0.000 0.428 121 S N 1.360 116.984 115.700 -0.127 0.000 2.359 121 S HA -0.236 4.234 4.470 0.000 0.000 0.223 121 S C 1.836 176.355 174.600 -0.134 0.000 1.039 121 S CA 1.579 59.716 58.200 -0.106 0.000 1.042 121 S CB -0.314 62.836 63.200 -0.083 0.000 0.915 121 S HN 0.290 nan 8.310 nan 0.000 0.439 122 K N 1.238 121.484 120.400 -0.256 0.000 2.160 122 K HA -0.142 4.178 4.320 0.000 0.000 0.206 122 K C 2.093 178.619 176.600 -0.124 0.000 1.047 122 K CA 1.258 57.402 56.287 -0.237 0.000 0.930 122 K CB -0.308 31.925 32.500 -0.444 0.000 0.720 122 K HN 0.347 nan 8.250 nan 0.000 0.450 123 A N 0.612 123.363 122.820 -0.115 0.000 1.897 123 A HA 0.015 4.335 4.320 0.000 0.000 0.215 123 A C 2.279 179.849 177.584 -0.023 0.000 1.181 123 A CA 1.430 53.432 52.037 -0.059 0.000 0.620 123 A CB -0.659 18.307 19.000 -0.058 0.000 0.821 123 A HN 0.438 nan 8.150 nan 0.000 0.443 124 A N -0.314 122.492 122.820 -0.025 0.000 1.883 124 A HA -0.049 4.271 4.320 0.000 0.000 0.217 124 A C 2.218 179.827 177.584 0.043 0.000 1.186 124 A CA 1.897 53.938 52.037 0.007 0.000 0.624 124 A CB -1.062 17.936 19.000 -0.004 0.000 0.822 124 A HN 0.395 nan 8.150 nan 0.000 0.444 125 V N 0.122 120.055 119.914 0.032 0.000 2.332 125 V HA -0.255 3.865 4.120 0.000 0.000 0.248 125 V C 2.650 178.835 176.094 0.152 0.000 1.055 125 V CA 2.490 64.845 62.300 0.091 0.000 1.038 125 V CB -0.738 31.108 31.823 0.039 0.000 0.651 125 V HN 0.704 nan 8.190 nan 0.000 0.450 126 E N 0.187 120.432 120.200 0.076 0.000 2.077 126 E HA -0.241 4.109 4.350 0.000 0.000 0.193 126 E C 2.142 178.774 176.600 0.054 0.000 0.989 126 E CA 1.507 57.944 56.400 0.062 0.000 0.800 126 E CB -0.327 29.387 29.700 0.024 0.000 0.746 126 E HN 0.568 nan 8.360 nan 0.000 0.452 127 Q N -0.037 119.795 119.800 0.053 0.000 2.119 127 Q HA 0.041 4.381 4.340 0.000 0.000 0.201 127 Q C 1.934 177.971 176.000 0.061 0.000 0.972 127 Q CA 1.891 57.722 55.803 0.048 0.000 0.847 127 Q CB -0.651 28.112 28.738 0.042 0.000 0.903 127 Q HN 0.298 nan 8.270 nan 0.000 0.433 128 A N 0.816 123.705 122.820 0.116 0.000 1.865 128 A HA -0.256 4.064 4.320 0.000 0.000 0.217 128 A C 2.171 179.777 177.584 0.037 0.000 1.191 128 A CA 1.906 54.047 52.037 0.173 0.000 0.623 128 A CB -0.800 18.412 19.000 0.352 0.000 0.826 128 A HN 0.457 nan 8.150 nan 0.000 0.444 129 R N -0.302 120.189 120.500 -0.015 0.000 2.096 129 R HA -0.153 4.187 4.340 0.000 0.000 0.240 129 R C 1.951 178.111 176.300 -0.234 0.000 1.139 129 R CA 1.987 57.873 56.100 -0.357 0.000 0.952 129 R CB -0.412 29.793 30.300 -0.158 0.000 0.854 129 R HN 0.485 nan 8.270 nan 0.000 0.436 130 I N 1.716 122.227 120.570 -0.100 0.000 2.127 130 I HA -0.301 3.869 4.170 0.000 0.000 0.241 130 I C 1.874 177.985 176.117 -0.011 0.000 1.075 130 I CA 1.459 62.722 61.300 -0.063 0.000 1.334 130 I CB -1.405 36.629 38.000 0.057 0.000 1.040 130 I HN 0.320 nan 8.210 nan 0.000 0.405 131 N N 1.176 119.861 118.700 -0.026 0.000 2.069 131 N HA -0.174 4.566 4.740 0.000 0.000 0.191 131 N C 2.088 177.409 175.510 -0.314 0.000 1.031 131 N CA 1.028 53.980 53.050 -0.163 0.000 0.852 131 N CB -0.549 37.767 38.487 -0.286 0.000 1.018 131 N HN 0.328 nan 8.380 nan 0.000 0.423 132 L N 1.304 122.379 121.223 -0.248 0.000 2.013 132 L HA -0.199 4.141 4.340 0.000 0.000 0.212 132 L C 2.716 179.480 176.870 -0.176 0.000 1.073 132 L CA 1.322 56.048 54.840 -0.190 0.000 0.753 132 L CB -0.180 41.743 42.059 -0.226 0.000 0.890 132 L HN 0.176 nan 8.230 nan 0.000 0.432 133 R N -1.059 119.305 120.500 -0.226 0.000 2.117 133 R HA -0.245 4.095 4.340 0.000 0.000 0.243 133 R C 2.102 178.268 176.300 -0.224 0.000 1.143 133 R CA 2.012 57.963 56.100 -0.249 0.000 0.968 133 R CB -0.445 29.644 30.300 -0.352 0.000 0.863 133 R HN 0.414 nan 8.270 nan 0.000 0.444 134 Y N -0.490 119.713 120.300 -0.162 0.000 2.616 134 Y HA -0.093 4.457 4.550 0.000 0.000 0.296 134 Y C 2.356 178.190 175.900 -0.110 0.000 1.154 134 Y CA 0.984 59.004 58.100 -0.134 0.000 1.325 134 Y CB 0.084 38.448 38.460 -0.161 0.000 1.007 134 Y HN 0.097 nan 8.280 nan 0.000 0.542 135 T N 0.022 114.579 114.554 0.004 0.000 2.833 135 T HA -0.126 4.224 4.350 0.000 0.000 0.269 135 T C 0.630 175.374 174.700 0.074 0.000 1.054 135 T CA 1.083 63.210 62.100 0.045 0.000 1.135 135 T CB -0.166 68.737 68.868 0.059 0.000 0.869 135 T HN 0.153 nan 8.240 nan 0.000 0.466 136 K N 1.778 122.205 120.400 0.045 0.000 2.268 136 K HA 0.374 4.694 4.320 0.000 0.000 0.276 136 K C -0.991 175.654 176.600 0.076 0.000 1.080 136 K CA -0.339 55.984 56.287 0.060 0.000 0.910 136 K CB 1.823 34.336 32.500 0.022 0.000 1.163 136 K HN -0.073 nan 8.250 nan 0.000 0.465 137 V N 6.244 126.237 119.914 0.132 0.000 2.287 137 V HA 0.075 4.195 4.120 0.000 0.000 0.246 137 V C 0.343 176.521 176.094 0.140 0.000 1.165 137 V CA -0.249 62.144 62.300 0.154 0.000 1.088 137 V CB -0.720 31.236 31.823 0.221 0.000 1.242 137 V HN 0.625 nan 8.190 nan 0.000 0.497 138 L N 2.725 123.995 121.223 0.078 0.000 2.453 138 L HA 0.327 4.667 4.340 0.000 0.000 0.261 138 L C 0.928 177.817 176.870 0.031 0.000 1.179 138 L CA 0.209 55.074 54.840 0.043 0.000 0.813 138 L CB 0.929 42.995 42.059 0.012 0.000 1.110 138 L HN 0.534 nan 8.230 nan 0.000 0.466 139 S N 2.085 117.784 115.700 -0.001 0.000 2.499 139 S HA 0.251 4.721 4.470 0.000 0.000 0.275 139 S C -1.223 173.368 174.600 -0.014 0.000 1.257 139 S CA -1.438 56.747 58.200 -0.024 0.000 1.050 139 S CB 1.013 64.174 63.200 -0.065 0.000 0.937 139 S HN 0.445 nan 8.310 nan 0.000 0.490 140 P HA 0.058 nan 4.420 nan 0.000 0.217 140 P C 0.150 177.447 177.300 -0.006 0.000 1.151 140 P CA 0.629 63.727 63.100 -0.003 0.000 0.828 140 P CB 0.189 31.891 31.700 0.002 0.000 0.788 141 I N -1.285 119.278 120.570 -0.011 0.000 3.170 141 I HA 0.281 4.451 4.170 0.000 0.000 0.312 141 I C 0.094 176.203 176.117 -0.013 0.000 1.085 141 I CA -1.195 60.102 61.300 -0.005 0.000 0.999 141 I CB 1.925 39.926 38.000 0.001 0.000 1.233 141 I HN -0.301 nan 8.210 nan 0.000 0.467 142 S N 0.756 116.455 115.700 -0.002 0.000 2.451 142 S HA 0.878 5.348 4.470 0.000 0.000 0.301 142 S C -0.007 174.589 174.600 -0.006 0.000 1.116 142 S CA -0.025 58.169 58.200 -0.010 0.000 1.093 142 S CB 1.225 64.423 63.200 -0.004 0.000 1.017 142 S HN 0.967 nan 8.310 nan 0.000 0.482 143 G N 2.244 111.032 108.800 -0.021 0.000 2.441 143 G HA2 0.340 4.300 3.960 0.000 0.000 0.225 143 G HA3 0.340 4.300 3.960 0.000 0.000 0.225 143 G C -1.670 173.212 174.900 -0.030 0.000 1.200 143 G CA -0.870 44.221 45.100 -0.016 0.000 0.947 143 G HN 0.597 nan 8.290 nan 0.000 0.484 144 R N 0.549 121.034 120.500 -0.025 0.000 2.275 144 R HA 0.535 4.875 4.340 0.000 0.000 0.326 144 R C -0.439 175.837 176.300 -0.041 0.000 0.973 144 R CA -0.613 55.471 56.100 -0.026 0.000 0.854 144 R CB 0.265 30.560 30.300 -0.008 0.000 1.156 144 R HN 0.450 nan 8.270 nan 0.000 0.487 145 I N 2.611 123.133 120.570 -0.081 0.000 2.638 145 I HA 0.404 4.574 4.170 0.000 0.000 0.286 145 I C 1.061 177.178 176.117 0.001 0.000 1.088 145 I CA -0.234 60.993 61.300 -0.122 0.000 1.397 145 I CB 1.037 38.802 38.000 -0.392 0.000 1.414 145 I HN 0.609 nan 8.210 nan 0.000 0.566 146 G N 4.303 113.130 108.800 0.044 0.000 3.019 146 G HA2 0.482 4.442 3.960 0.000 0.000 0.152 146 G HA3 0.482 4.442 3.960 0.000 0.000 0.152 146 G C -0.110 174.896 174.900 0.176 0.000 1.320 146 G CA -1.060 44.096 45.100 0.093 0.000 1.013 146 G HN 0.565 nan 8.290 nan 0.000 0.593 147 R N -0.372 120.211 120.500 0.138 0.000 2.784 147 R HA 0.358 4.698 4.340 0.000 0.000 0.266 147 R C -0.006 176.428 176.300 0.223 0.000 1.044 147 R CA 0.164 56.354 56.100 0.150 0.000 1.151 147 R CB 0.666 31.021 30.300 0.093 0.000 1.037 147 R HN 0.338 nan 8.270 nan 0.000 0.478 148 S N 0.699 116.530 115.700 0.218 0.000 2.420 148 S HA 0.299 4.769 4.470 0.000 0.000 0.313 148 S C 0.854 175.568 174.600 0.191 0.000 1.079 148 S CA -0.531 57.853 58.200 0.307 0.000 1.104 148 S CB 1.267 64.623 63.200 0.259 0.000 0.969 148 S HN 0.677 nan 8.310 nan 0.000 0.471 149 A N 4.656 127.579 122.820 0.172 0.000 2.216 149 A HA 0.244 4.564 4.320 0.000 0.000 0.214 149 A C 0.610 178.242 177.584 0.081 0.000 1.160 149 A CA 0.523 52.620 52.037 0.101 0.000 0.725 149 A CB -0.085 18.960 19.000 0.076 0.000 0.784 149 A HN 0.671 nan 8.150 nan 0.000 0.472 150 V N 0.719 120.701 119.914 0.114 0.000 2.540 150 V HA 0.395 4.515 4.120 0.000 0.000 0.302 150 V C 0.513 176.667 176.094 0.100 0.000 1.035 150 V CA -0.172 62.170 62.300 0.070 0.000 0.873 150 V CB 1.878 33.696 31.823 -0.007 0.000 0.992 150 V HN 0.496 nan 8.190 nan 0.000 0.428 151 T N 1.886 116.475 114.554 0.058 0.000 2.874 151 T HA 0.492 4.842 4.350 0.000 0.000 0.281 151 T C 0.034 174.768 174.700 0.058 0.000 0.994 151 T CA -0.735 61.394 62.100 0.049 0.000 1.015 151 T CB 0.946 69.829 68.868 0.025 0.000 1.028 151 T HN 0.681 nan 8.240 nan 0.000 0.523 152 E N 0.097 120.325 120.200 0.047 0.000 2.409 152 E HA 0.389 4.739 4.350 0.000 0.000 0.257 152 E C 1.345 177.965 176.600 0.034 0.000 1.150 152 E CA -0.090 56.341 56.400 0.052 0.000 0.942 152 E CB -0.101 29.617 29.700 0.029 0.000 0.979 152 E HN 1.089 nan 8.360 nan 0.000 0.447 153 G N 0.340 109.160 108.800 0.033 0.000 2.228 153 G HA2 -0.382 3.578 3.960 0.000 0.000 0.270 153 G HA3 -0.382 3.578 3.960 0.000 0.000 0.270 153 G C 0.516 175.425 174.900 0.015 0.000 0.976 153 G CA 0.380 45.492 45.100 0.021 0.000 0.636 153 G HN 0.864 nan 8.290 nan 0.000 0.542 154 A N -0.391 122.438 122.820 0.016 0.000 2.448 154 A HA 0.625 4.945 4.320 0.000 0.000 0.239 154 A C 0.341 177.925 177.584 -0.001 0.000 1.080 154 A CA 0.441 52.481 52.037 0.005 0.000 0.779 154 A CB 0.560 19.562 19.000 0.003 0.000 1.026 154 A HN 1.398 nan 8.150 nan 0.000 0.499 155 L N 2.141 123.361 121.223 -0.006 0.000 2.276 155 L HA 0.591 4.931 4.340 0.000 0.000 0.286 155 L C -0.331 176.529 176.870 -0.016 0.000 1.061 155 L CA 0.105 54.941 54.840 -0.007 0.000 0.807 155 L CB 1.225 43.280 42.059 -0.006 0.000 1.177 155 L HN 0.453 nan 8.230 nan 0.000 0.429 156 V N 4.724 124.628 119.914 -0.016 0.000 2.604 156 V HA 0.687 4.807 4.120 0.000 0.000 0.305 156 V C -0.462 175.621 176.094 -0.019 0.000 1.043 156 V CA -0.164 62.117 62.300 -0.032 0.000 0.888 156 V CB 2.475 34.263 31.823 -0.059 0.000 0.995 156 V HN 0.927 nan 8.190 nan 0.000 0.429 157 T N 5.536 120.073 114.554 -0.028 0.000 2.848 157 T HA 0.329 4.679 4.350 0.000 0.000 0.285 157 T C -0.219 174.455 174.700 -0.043 0.000 0.995 157 T CA -0.417 61.668 62.100 -0.025 0.000 0.970 157 T CB 0.987 69.843 68.868 -0.021 0.000 0.976 157 T HN 0.802 nan 8.240 nan 0.000 0.441 158 N N 1.347 120.016 118.700 -0.052 0.000 2.411 158 N HA 0.251 4.991 4.740 0.000 0.000 0.261 158 N C 1.324 176.792 175.510 -0.070 0.000 1.248 158 N CA 1.106 54.105 53.050 -0.086 0.000 0.885 158 N CB 0.067 38.485 38.487 -0.114 0.000 1.062 158 N HN 0.985 nan 8.380 nan 0.000 0.471 159 G N 2.024 110.780 108.800 -0.072 0.000 2.217 159 G HA2 -0.320 3.640 3.960 0.000 0.000 0.246 159 G HA3 -0.320 3.640 3.960 0.000 0.000 0.246 159 G C 0.003 174.878 174.900 -0.042 0.000 0.990 159 G CA 0.346 45.413 45.100 -0.055 0.000 0.627 159 G HN 0.844 nan 8.290 nan 0.000 0.522 160 Q N 0.410 120.186 119.800 -0.041 0.000 2.333 160 Q HA 0.535 4.875 4.340 0.000 0.000 0.299 160 Q C 1.637 177.620 176.000 -0.028 0.000 1.067 160 Q CA 0.832 56.615 55.803 -0.032 0.000 0.943 160 Q CB 0.826 29.543 28.738 -0.034 0.000 1.233 160 Q HN 1.075 nan 8.270 nan 0.000 0.401 161 A N 4.284 127.091 122.820 -0.022 0.000 1.851 161 A HA -0.171 4.149 4.320 0.000 0.000 0.216 161 A C 0.650 178.224 177.584 -0.015 0.000 1.195 161 A CA 1.441 53.468 52.037 -0.017 0.000 0.622 161 A CB -0.538 18.454 19.000 -0.013 0.000 0.831 161 A HN 0.906 nan 8.150 nan 0.000 0.444 162 N N 0.103 118.794 118.700 -0.014 0.000 2.525 162 N HA 0.444 5.184 4.740 0.000 0.000 0.271 162 N C -0.248 175.254 175.510 -0.013 0.000 1.194 162 N CA 0.605 53.649 53.050 -0.009 0.000 0.964 162 N CB 0.885 39.370 38.487 -0.004 0.000 1.126 162 N HN 0.412 nan 8.380 nan 0.000 0.452 163 A N 1.391 124.209 122.820 -0.003 0.000 2.327 163 A HA 0.288 4.608 4.320 0.000 0.000 0.283 163 A C 1.269 178.860 177.584 0.011 0.000 1.127 163 A CA -0.479 51.558 52.037 -0.000 0.000 0.810 163 A CB 0.387 19.393 19.000 0.010 0.000 1.066 163 A HN 0.764 nan 8.150 nan 0.000 0.492 164 M N 1.055 120.652 119.600 -0.005 0.000 2.229 164 M HA 0.085 4.565 4.480 0.000 0.000 0.264 164 M C 0.806 177.205 176.300 0.165 0.000 1.063 164 M CA 2.003 57.308 55.300 0.009 0.000 1.114 164 M CB -0.114 32.370 32.600 -0.194 0.000 1.387 164 M HN 0.895 nan 8.290 nan 0.000 0.420 165 A N -1.287 121.618 122.820 0.142 0.000 2.544 165 A HA 0.613 4.933 4.320 0.000 0.000 0.291 165 A C -1.047 176.570 177.584 0.054 0.000 1.055 165 A CA -0.865 51.259 52.037 0.145 0.000 0.651 165 A CB 0.902 20.039 19.000 0.228 0.000 1.296 165 A HN 0.032 nan 8.150 nan 0.000 0.431 166 T N 1.101 115.670 114.554 0.024 0.000 2.890 166 T HA 0.536 4.886 4.350 0.000 0.000 0.295 166 T C -0.656 174.025 174.700 -0.032 0.000 0.993 166 T CA -0.356 61.743 62.100 -0.002 0.000 0.979 166 T CB 1.111 69.987 68.868 0.013 0.000 0.967 166 T HN 0.796 nan 8.240 nan 0.000 0.441 167 V N 4.112 123.996 119.914 -0.049 0.000 2.546 167 V HA 0.377 4.497 4.120 0.000 0.000 0.284 167 V C 0.101 176.182 176.094 -0.022 0.000 1.050 167 V CA -0.464 61.800 62.300 -0.059 0.000 0.981 167 V CB 1.226 33.006 31.823 -0.072 0.000 0.990 167 V HN 0.816 nan 8.190 nan 0.000 0.474 168 Q N 3.136 122.929 119.800 -0.012 0.000 2.337 168 Q HA 0.307 4.647 4.340 0.000 0.000 0.264 168 Q C -0.634 175.377 176.000 0.019 0.000 1.007 168 Q CA -0.368 55.441 55.803 0.010 0.000 0.727 168 Q CB 2.246 30.992 28.738 0.014 0.000 1.256 168 Q HN 0.770 nan 8.270 nan 0.000 0.467 169 Q N 3.541 123.366 119.800 0.042 0.000 2.244 169 Q HA 0.044 4.384 4.340 0.000 0.000 0.278 169 Q C -0.179 175.852 176.000 0.051 0.000 1.093 169 Q CA 0.493 56.328 55.803 0.054 0.000 0.916 169 Q CB 0.473 29.285 28.738 0.123 0.000 1.159 169 Q HN 0.733 nan 8.270 nan 0.000 0.384 170 L N 3.279 124.501 121.223 -0.000 0.000 2.858 170 L HA 0.120 4.460 4.340 0.000 0.000 0.251 170 L C 1.155 177.980 176.870 -0.075 0.000 1.149 170 L CA -0.324 54.503 54.840 -0.021 0.000 0.955 170 L CB 0.200 42.251 42.059 -0.014 0.000 1.289 170 L HN 0.735 nan 8.230 nan 0.000 0.542 171 D N 1.814 122.149 120.400 -0.109 0.000 1.966 171 D HA -0.019 4.621 4.640 0.000 0.000 0.256 171 D C -1.742 174.400 176.300 -0.263 0.000 0.991 171 D CA 0.307 54.218 54.000 -0.147 0.000 0.928 171 D CB -0.807 39.907 40.800 -0.143 0.000 1.166 171 D HN -0.035 nan 8.370 nan 0.000 0.469 172 P HA 0.070 nan 4.420 nan 0.000 0.260 172 P C -0.531 176.408 177.300 -0.601 0.000 1.172 172 P CA 0.652 63.338 63.100 -0.689 0.000 0.760 172 P CB 0.240 31.114 31.700 -1.377 0.000 0.773 173 I N 3.812 124.213 120.570 -0.281 0.000 2.569 173 I HA 0.367 4.537 4.170 0.000 0.000 0.296 173 I C -0.532 175.584 176.117 -0.001 0.000 1.028 173 I CA -1.383 59.840 61.300 -0.127 0.000 1.082 173 I CB 1.387 39.342 38.000 -0.074 0.000 1.264 173 I HN 0.230 nan 8.210 nan 0.000 0.429 174 Y N 5.077 125.491 120.300 0.190 0.000 2.300 174 Y HA 0.437 4.987 4.550 0.000 0.000 0.328 174 Y C -0.038 175.911 175.900 0.082 0.000 1.270 174 Y CA -0.648 57.545 58.100 0.154 0.000 1.352 174 Y CB 1.495 40.021 38.460 0.110 0.000 1.286 174 Y HN 0.179 nan 8.280 nan 0.000 0.536 175 V N 2.420 122.513 119.914 0.298 0.000 2.439 175 V HA 0.108 4.228 4.120 0.000 0.000 0.277 175 V C -1.308 174.832 176.094 0.077 0.000 1.008 175 V CA -0.993 61.389 62.300 0.138 0.000 0.846 175 V CB 1.091 33.014 31.823 0.167 0.000 1.031 175 V HN 0.678 nan 8.190 nan 0.000 0.441 176 D N 3.480 123.884 120.400 0.006 0.000 2.358 176 D HA 0.346 4.986 4.640 0.000 0.000 0.258 176 D C -0.105 176.172 176.300 -0.038 0.000 1.223 176 D CA 0.430 54.404 54.000 -0.042 0.000 0.886 176 D CB 1.540 42.296 40.800 -0.073 0.000 1.120 176 D HN 0.276 nan 8.370 nan 0.000 0.482 177 V N 2.739 122.638 119.914 -0.026 0.000 2.513 177 V HA 0.456 4.576 4.120 0.000 0.000 0.299 177 V C 0.418 176.508 176.094 -0.006 0.000 1.035 177 V CA -0.626 61.670 62.300 -0.007 0.000 0.889 177 V CB 2.085 33.916 31.823 0.013 0.000 0.988 177 V HN 0.449 nan 8.190 nan 0.000 0.440 178 T N 4.998 119.555 114.554 0.005 0.000 2.815 178 T HA 0.494 4.844 4.350 0.000 0.000 0.289 178 T C -0.611 174.107 174.700 0.030 0.000 1.000 178 T CA -0.495 61.611 62.100 0.011 0.000 0.958 178 T CB 1.039 69.907 68.868 0.001 0.000 0.944 178 T HN 0.572 nan 8.240 nan 0.000 0.442 179 Q N 2.580 122.402 119.800 0.037 0.000 2.387 179 Q HA 0.455 4.795 4.340 0.000 0.000 0.273 179 Q C -2.712 173.310 176.000 0.038 0.000 1.089 179 Q CA -2.617 53.214 55.803 0.047 0.000 0.824 179 Q CB 2.016 30.794 28.738 0.066 0.000 1.367 179 Q HN 0.295 nan 8.270 nan 0.000 0.443 180 P HA 0.022 nan 4.420 nan 0.000 0.271 180 P C 0.733 178.049 177.300 0.027 0.000 1.216 180 P CA 0.343 63.459 63.100 0.026 0.000 0.771 180 P CB 0.752 32.466 31.700 0.024 0.000 0.864 181 S N 2.347 118.060 115.700 0.021 0.000 2.422 181 S HA -0.248 4.222 4.470 0.000 0.000 0.241 181 S C 1.689 176.299 174.600 0.017 0.000 1.076 181 S CA 2.530 60.742 58.200 0.019 0.000 1.066 181 S CB -0.863 62.344 63.200 0.012 0.000 0.890 181 S HN 0.535 nan 8.310 nan 0.000 0.465 182 T N 1.853 116.416 114.554 0.015 0.000 2.622 182 T HA -0.058 4.292 4.350 0.000 0.000 0.266 182 T C 2.105 176.812 174.700 0.012 0.000 1.047 182 T CA 1.595 63.701 62.100 0.010 0.000 1.159 182 T CB -0.963 67.911 68.868 0.010 0.000 0.863 182 T HN 0.598 nan 8.240 nan 0.000 0.422 183 A N 1.942 124.776 122.820 0.023 0.000 1.948 183 A HA -0.080 4.240 4.320 0.000 0.000 0.220 183 A C 2.284 179.892 177.584 0.039 0.000 1.177 183 A CA 1.295 53.352 52.037 0.032 0.000 0.636 183 A CB -0.952 18.076 19.000 0.046 0.000 0.815 183 A HN 0.446 nan 8.150 nan 0.000 0.449 184 L N -0.575 120.678 121.223 0.050 0.000 2.127 184 L HA -0.136 4.204 4.340 0.000 0.000 0.211 184 L C 2.242 179.110 176.870 -0.003 0.000 1.089 184 L CA 1.814 56.697 54.840 0.071 0.000 0.757 184 L CB -0.720 41.388 42.059 0.082 0.000 0.899 184 L HN 0.477 nan 8.230 nan 0.000 0.434 185 L N -0.700 120.512 121.223 -0.018 0.000 2.044 185 L HA -0.162 4.178 4.340 0.000 0.000 0.205 185 L C 2.840 179.663 176.870 -0.077 0.000 1.075 185 L CA 0.713 55.522 54.840 -0.052 0.000 0.747 185 L CB -0.632 41.408 42.059 -0.031 0.000 0.903 185 L HN 0.262 nan 8.230 nan 0.000 0.435 186 R N 1.051 121.523 120.500 -0.046 0.000 2.133 186 R HA -0.227 4.113 4.340 0.000 0.000 0.245 186 R C 2.123 178.375 176.300 -0.080 0.000 1.137 186 R CA 2.011 58.085 56.100 -0.044 0.000 0.947 186 R CB -0.896 29.396 30.300 -0.014 0.000 0.865 186 R HN 0.361 nan 8.270 nan 0.000 0.437 187 L N 0.255 121.424 121.223 -0.089 0.000 2.083 187 L HA -0.124 4.216 4.340 0.000 0.000 0.209 187 L C 2.854 179.466 176.870 -0.431 0.000 1.083 187 L CA 1.178 55.921 54.840 -0.161 0.000 0.752 187 L CB -0.527 41.523 42.059 -0.015 0.000 0.899 187 L HN 0.173 nan 8.230 nan 0.000 0.433 188 R N 0.324 120.539 120.500 -0.475 0.000 2.127 188 R HA -0.142 4.198 4.340 0.000 0.000 0.238 188 R C 2.406 178.523 176.300 -0.305 0.000 1.134 188 R CA 1.246 57.028 56.100 -0.530 0.000 0.975 188 R CB -0.261 29.848 30.300 -0.318 0.000 0.865 188 R HN 0.448 nan 8.270 nan 0.000 0.447 189 R N 0.735 121.118 120.500 -0.196 0.000 2.064 189 R HA -0.093 4.247 4.340 0.000 0.000 0.228 189 R C 2.210 178.442 176.300 -0.114 0.000 1.144 189 R CA 1.451 57.477 56.100 -0.122 0.000 0.932 189 R CB -0.332 29.919 30.300 -0.082 0.000 0.833 189 R HN 0.315 nan 8.270 nan 0.000 0.429 190 E N 1.218 121.354 120.200 -0.106 0.000 2.169 190 E HA -0.256 4.094 4.350 0.000 0.000 0.202 190 E C 1.983 178.537 176.600 -0.076 0.000 1.016 190 E CA 1.110 57.467 56.400 -0.071 0.000 0.817 190 E CB -0.300 29.370 29.700 -0.051 0.000 0.736 190 E HN 0.234 nan 8.360 nan 0.000 0.462 191 L N 0.807 121.944 121.223 -0.143 0.000 2.046 191 L HA -0.112 4.228 4.340 0.000 0.000 0.208 191 L C 2.213 179.043 176.870 -0.066 0.000 1.077 191 L CA 2.157 56.931 54.840 -0.110 0.000 0.747 191 L CB -0.798 41.111 42.059 -0.250 0.000 0.896 191 L HN 0.098 nan 8.230 nan 0.000 0.432 192 A N -0.483 122.286 122.820 -0.084 0.000 1.975 192 A HA -0.079 4.242 4.320 0.000 0.000 0.215 192 A C 2.043 179.606 177.584 -0.035 0.000 1.170 192 A CA 1.009 53.016 52.037 -0.051 0.000 0.656 192 A CB -0.530 18.436 19.000 -0.057 0.000 0.821 192 A HN 0.638 nan 8.150 nan 0.000 0.449 193 S N -0.808 114.869 115.700 -0.039 0.000 2.763 193 S HA 0.376 4.846 4.470 0.000 0.000 0.237 193 S C 1.382 175.972 174.600 -0.016 0.000 0.966 193 S CA 0.827 59.011 58.200 -0.026 0.000 1.017 193 S CB -0.930 62.253 63.200 -0.028 0.000 0.780 193 S HN 1.730 nan 8.310 nan 0.000 0.476 194 G N 1.554 110.347 108.800 -0.013 0.000 2.230 194 G HA2 -0.456 3.504 3.960 0.000 0.000 0.270 194 G HA3 -0.456 3.504 3.960 0.000 0.000 0.270 194 G C 0.721 175.622 174.900 0.001 0.000 0.987 194 G CA 0.859 45.958 45.100 -0.002 0.000 0.664 194 G HN 0.642 nan 8.290 nan 0.000 0.539 195 Q N -1.133 118.664 119.800 -0.004 0.000 2.541 195 Q HA 0.268 4.608 4.340 0.000 0.000 0.215 195 Q C 0.141 176.148 176.000 0.012 0.000 0.977 195 Q CA 0.416 56.220 55.803 0.001 0.000 0.934 195 Q CB -0.066 28.669 28.738 -0.006 0.000 0.988 195 Q HN 0.465 nan 8.270 nan 0.000 0.521 196 L N 0.460 121.693 121.223 0.017 0.000 2.408 196 L HA 0.282 4.622 4.340 0.000 0.000 0.268 196 L C -0.780 176.118 176.870 0.047 0.000 0.986 196 L CA -0.455 54.410 54.840 0.042 0.000 0.820 196 L CB 2.113 44.205 42.059 0.056 0.000 1.303 196 L HN -0.041 nan 8.230 nan 0.000 0.411 197 E N 4.293 124.525 120.200 0.053 0.000 2.238 197 E HA 0.048 4.398 4.350 0.000 0.000 0.264 197 E C -0.187 176.445 176.600 0.053 0.000 1.136 197 E CA -0.450 55.977 56.400 0.044 0.000 0.929 197 E CB 0.319 30.042 29.700 0.038 0.000 1.010 197 E HN 0.285 nan 8.360 nan 0.000 0.440 198 R N 2.126 122.654 120.500 0.045 0.000 2.740 198 R HA -0.039 4.301 4.340 0.000 0.000 0.263 198 R C 0.211 176.533 176.300 0.037 0.000 0.997 198 R CA 0.864 56.994 56.100 0.049 0.000 1.108 198 R CB 0.826 31.147 30.300 0.035 0.000 0.969 198 R HN 0.679 nan 8.270 nan 0.000 0.431 199 A N 0.138 122.981 122.820 0.038 0.000 2.664 199 A HA 0.376 4.696 4.320 0.000 0.000 0.222 199 A C 0.437 178.029 177.584 0.013 0.000 1.320 199 A CA 0.683 52.727 52.037 0.012 0.000 1.029 199 A CB 0.841 19.834 19.000 -0.010 0.000 1.318 199 A HN 0.832 nan 8.150 nan 0.000 0.589 200 G N -0.487 108.332 108.800 0.031 0.000 2.337 200 G HA2 0.339 4.299 3.960 0.000 0.000 0.298 200 G HA3 0.339 4.299 3.960 0.000 0.000 0.298 200 G C -2.192 172.737 174.900 0.050 0.000 1.335 200 G CA -0.640 44.479 45.100 0.031 0.000 0.875 200 G HN -0.019 nan 8.290 nan 0.000 0.579 201 D N 1.455 121.882 120.400 0.044 0.000 2.434 201 D HA 0.139 4.779 4.640 0.000 0.000 0.252 201 D C 0.893 177.242 176.300 0.082 0.000 1.185 201 D CA 0.591 54.622 54.000 0.052 0.000 0.886 201 D CB 0.536 41.359 40.800 0.038 0.000 1.148 201 D HN 0.514 nan 8.370 nan 0.000 0.483 202 N N 0.120 118.890 118.700 0.117 0.000 2.800 202 N HA -0.200 4.540 4.740 0.000 0.000 0.250 202 N C -0.825 174.885 175.510 0.333 0.000 1.078 202 N CA 1.069 54.250 53.050 0.218 0.000 0.804 202 N CB -0.707 37.878 38.487 0.163 0.000 1.135 202 N HN 0.586 nan 8.380 nan 0.000 0.565 203 A N -0.317 122.633 122.820 0.217 0.000 2.374 203 A HA 0.841 5.161 4.320 0.000 0.000 0.305 203 A C -0.248 177.417 177.584 0.135 0.000 1.053 203 A CA 0.164 52.262 52.037 0.101 0.000 0.726 203 A CB 1.765 20.770 19.000 0.008 0.000 1.229 203 A HN 0.367 nan 8.150 nan 0.000 0.431 204 A N 2.372 125.257 122.820 0.109 0.000 2.337 204 A HA 0.676 4.996 4.320 0.000 0.000 0.329 204 A C -0.039 177.548 177.584 0.005 0.000 1.146 204 A CA -0.686 51.431 52.037 0.134 0.000 0.800 204 A CB 0.608 19.789 19.000 0.300 0.000 1.220 204 A HN 0.773 nan 8.150 nan 0.000 0.472 205 K N 0.702 121.109 120.400 0.012 0.000 2.382 205 K HA 0.428 4.748 4.320 0.000 0.000 0.275 205 K C -0.736 175.856 176.600 -0.014 0.000 1.009 205 K CA 0.175 56.447 56.287 -0.024 0.000 0.970 205 K CB 0.705 33.204 32.500 -0.001 0.000 0.934 205 K HN 0.417 nan 8.250 nan 0.000 0.479 206 V N 1.102 120.985 119.914 -0.052 0.000 3.114 206 V HA 0.283 4.403 4.120 0.000 0.000 0.308 206 V C -0.671 175.504 176.094 0.135 0.000 1.168 206 V CA -0.971 61.345 62.300 0.026 0.000 1.015 206 V CB 2.474 34.303 31.823 0.010 0.000 1.050 206 V HN 0.772 nan 8.190 nan 0.000 0.433 207 S N 1.975 117.823 115.700 0.248 0.000 2.568 207 S HA 0.815 5.285 4.470 0.000 0.000 0.302 207 S C -1.026 173.800 174.600 0.378 0.000 1.082 207 S CA -0.465 57.940 58.200 0.342 0.000 1.009 207 S CB 1.852 65.169 63.200 0.195 0.000 1.069 207 S HN 0.538 nan 8.310 nan 0.000 0.500 208 L N 2.273 123.663 121.223 0.279 0.000 2.334 208 L HA 0.622 4.962 4.340 0.000 0.000 0.276 208 L C -0.544 176.350 176.870 0.039 0.000 1.014 208 L CA -0.216 54.607 54.840 -0.029 0.000 0.815 208 L CB 1.292 42.947 42.059 -0.673 0.000 1.268 208 L HN 0.659 nan 8.230 nan 0.000 0.428 209 K N 5.592 126.014 120.400 0.038 0.000 2.616 209 K HA 0.442 4.762 4.320 0.000 0.000 0.241 209 K C -1.166 175.476 176.600 0.069 0.000 0.961 209 K CA -0.553 55.782 56.287 0.079 0.000 0.942 209 K CB 0.631 33.200 32.500 0.114 0.000 1.153 209 K HN 0.668 nan 8.250 nan 0.000 0.452 210 L N 3.210 124.454 121.223 0.035 0.000 2.503 210 L HA -0.036 4.304 4.340 0.000 0.000 0.287 210 L C 1.681 178.589 176.870 0.063 0.000 1.252 210 L CA 0.232 55.085 54.840 0.021 0.000 0.835 210 L CB 0.315 42.389 42.059 0.025 0.000 1.099 210 L HN 0.746 nan 8.230 nan 0.000 0.516 211 E N -0.578 119.656 120.200 0.057 0.000 2.515 211 E HA -0.215 4.135 4.350 0.000 0.000 0.201 211 E C 0.833 177.464 176.600 0.051 0.000 1.071 211 E CA 0.794 57.237 56.400 0.072 0.000 0.880 211 E CB -0.060 29.674 29.700 0.056 0.000 0.828 211 E HN 0.725 nan 8.360 nan 0.000 0.540 212 D N 0.560 120.986 120.400 0.044 0.000 2.123 212 D HA -0.082 4.558 4.640 0.000 0.000 0.200 212 D C 1.582 177.904 176.300 0.036 0.000 0.976 212 D CA 2.246 56.266 54.000 0.033 0.000 0.831 212 D CB 0.085 40.905 40.800 0.033 0.000 0.974 212 D HN 0.370 nan 8.370 nan 0.000 0.469 213 G N -0.679 108.150 108.800 0.049 0.000 2.481 213 G HA2 -0.201 3.759 3.960 0.000 0.000 0.200 213 G HA3 -0.201 3.759 3.960 0.000 0.000 0.200 213 G C 0.427 175.353 174.900 0.044 0.000 1.012 213 G CA 0.457 45.584 45.100 0.045 0.000 0.676 213 G HN 0.614 nan 8.290 nan 0.000 0.488 214 S N 0.971 116.696 115.700 0.042 0.000 2.580 214 S HA 0.511 4.981 4.470 0.000 0.000 0.261 214 S C -0.045 174.589 174.600 0.056 0.000 1.366 214 S CA 0.138 58.363 58.200 0.042 0.000 0.996 214 S CB 1.146 64.370 63.200 0.039 0.000 0.902 214 S HN 0.376 nan 8.310 nan 0.000 0.566 215 Q N 1.161 120.992 119.800 0.052 0.000 2.400 215 Q HA 0.250 4.590 4.340 0.000 0.000 0.255 215 Q C -1.192 174.858 176.000 0.083 0.000 1.008 215 Q CA -0.415 55.429 55.803 0.069 0.000 0.841 215 Q CB 1.136 29.903 28.738 0.049 0.000 1.220 215 Q HN 0.772 nan 8.270 nan 0.000 0.474 216 Y N 6.502 126.789 120.300 -0.022 0.000 2.745 216 Y HA -0.054 4.496 4.550 0.000 0.000 0.335 216 Y C -1.119 174.787 175.900 0.009 0.000 1.212 216 Y CA -0.937 57.143 58.100 -0.034 0.000 1.535 216 Y CB 0.607 39.002 38.460 -0.108 0.000 1.220 216 Y HN 0.505 nan 8.280 nan 0.000 0.531 217 P HA -0.239 nan 4.420 nan 0.000 0.216 217 P C 0.069 177.232 177.300 -0.228 0.000 1.154 217 P CA 1.562 64.484 63.100 -0.296 0.000 0.865 217 P CB 0.308 31.808 31.700 -0.333 0.000 0.789 218 L N -0.399 120.593 121.223 -0.386 0.000 2.448 218 L HA 0.344 4.684 4.340 0.000 0.000 0.258 218 L C 0.940 178.001 176.870 0.318 0.000 1.104 218 L CA -0.804 54.033 54.840 -0.004 0.000 0.800 218 L CB 0.442 42.535 42.059 0.056 0.000 1.241 218 L HN 0.038 nan 8.230 nan 0.000 0.472 219 E N -0.785 119.582 120.200 0.278 0.000 2.408 219 E HA 0.780 5.130 4.350 0.000 0.000 0.275 219 E C -0.942 175.672 176.600 0.023 0.000 0.935 219 E CA -0.971 55.602 56.400 0.288 0.000 0.775 219 E CB 2.278 32.073 29.700 0.159 0.000 1.277 219 E HN 0.624 nan 8.360 nan 0.000 0.455 220 G N 0.521 109.089 108.800 -0.387 0.000 2.788 220 G HA2 0.443 4.403 3.960 0.000 0.000 0.293 220 G HA3 0.443 4.403 3.960 0.000 0.000 0.293 220 G C -1.009 173.591 174.900 -0.498 0.000 1.392 220 G CA -1.212 43.583 45.100 -0.508 0.000 0.810 220 G HN 0.393 nan 8.290 nan 0.000 0.508 221 R N -1.040 119.249 120.500 -0.351 0.000 2.694 221 R HA 0.352 4.692 4.340 0.000 0.000 0.268 221 R C -0.877 175.248 176.300 -0.292 0.000 1.061 221 R CA -0.303 55.651 56.100 -0.243 0.000 1.133 221 R CB 0.811 31.028 30.300 -0.138 0.000 1.020 221 R HN 0.255 nan 8.270 nan 0.000 0.475 222 L N 2.563 123.624 121.223 -0.269 0.000 2.470 222 L HA 0.229 4.569 4.340 0.000 0.000 0.253 222 L C -0.771 175.784 176.870 -0.525 0.000 1.163 222 L CA -0.311 54.316 54.840 -0.355 0.000 0.932 222 L CB 0.975 42.807 42.059 -0.377 0.000 1.213 222 L HN 0.421 nan 8.230 nan 0.000 0.485 223 E N 2.602 122.617 120.200 -0.309 0.000 2.452 223 E HA -0.022 4.328 4.350 0.000 0.000 0.261 223 E C 0.248 176.643 176.600 -0.342 0.000 0.987 223 E CA 0.573 56.835 56.400 -0.230 0.000 0.926 223 E CB 0.498 30.152 29.700 -0.076 0.000 0.934 223 E HN 0.554 nan 8.360 nan 0.000 0.452 224 F N 0.219 120.168 119.950 -0.001 0.000 2.749 224 F HA -0.034 4.493 4.527 0.000 0.000 0.300 224 F C 1.558 177.351 175.800 -0.011 0.000 1.103 224 F CA -0.195 57.802 58.000 -0.004 0.000 1.342 224 F CB 0.406 39.405 39.000 -0.002 0.000 1.098 224 F HN 0.193 nan 8.300 nan 0.000 0.586 225 S N 1.554 117.326 115.700 0.120 0.000 2.533 225 S HA 0.084 4.554 4.470 0.000 0.000 0.282 225 S C -0.039 174.576 174.600 0.026 0.000 1.304 225 S CA -0.914 57.325 58.200 0.065 0.000 1.063 225 S CB 0.266 63.486 63.200 0.033 0.000 0.881 225 S HN 0.366 nan 8.310 nan 0.000 0.493 226 E N 2.776 122.990 120.200 0.025 0.000 2.398 226 E HA 0.285 4.635 4.350 0.000 0.000 0.263 226 E C 0.172 176.753 176.600 -0.032 0.000 1.046 226 E CA -0.710 55.690 56.400 0.000 0.000 0.908 226 E CB 0.707 30.412 29.700 0.008 0.000 0.963 226 E HN 0.301 nan 8.360 nan 0.000 0.431 227 V N 1.196 121.077 119.914 -0.055 0.000 3.212 227 V HA 0.154 4.274 4.120 0.000 0.000 0.244 227 V C 0.287 176.342 176.094 -0.065 0.000 1.151 227 V CA 0.931 63.182 62.300 -0.081 0.000 1.119 227 V CB -0.101 31.642 31.823 -0.134 0.000 0.838 227 V HN 0.867 nan 8.190 nan 0.000 0.470 228 S N -0.956 114.714 115.700 -0.050 0.000 2.567 228 S HA 0.707 5.177 4.470 0.000 0.000 0.270 228 S C -1.463 173.121 174.600 -0.026 0.000 1.152 228 S CA -0.611 57.566 58.200 -0.039 0.000 0.835 228 S CB 2.299 65.471 63.200 -0.047 0.000 1.115 228 S HN 0.015 nan 8.310 nan 0.000 0.459 229 V N 1.562 121.465 119.914 -0.020 0.000 2.569 229 V HA 0.433 4.553 4.120 0.000 0.000 0.301 229 V C -1.207 174.881 176.094 -0.011 0.000 1.044 229 V CA -0.746 61.547 62.300 -0.012 0.000 0.874 229 V CB 1.859 33.677 31.823 -0.007 0.000 1.002 229 V HN 0.983 nan 8.190 nan 0.000 0.424 230 D N 3.926 124.321 120.400 -0.008 0.000 2.508 230 D HA 0.115 4.755 4.640 0.000 0.000 0.224 230 D C 1.172 177.470 176.300 -0.004 0.000 1.171 230 D CA 0.067 54.063 54.000 -0.007 0.000 1.006 230 D CB 0.987 41.783 40.800 -0.005 0.000 1.073 230 D HN 0.645 nan 8.370 nan 0.000 0.513 231 E N 0.848 121.045 120.200 -0.004 0.000 2.284 231 E HA -0.176 4.174 4.350 0.000 0.000 0.200 231 E C 1.953 178.552 176.600 -0.001 0.000 1.008 231 E CA 0.693 57.092 56.400 -0.003 0.000 0.829 231 E CB 0.126 29.823 29.700 -0.004 0.000 0.744 231 E HN 0.434 nan 8.360 nan 0.000 0.491 232 G N -0.002 108.797 108.800 -0.001 0.000 2.650 232 G HA2 -0.133 3.827 3.960 0.000 0.000 0.214 232 G HA3 -0.133 3.827 3.960 0.000 0.000 0.214 232 G C 1.307 176.208 174.900 0.002 0.000 1.136 232 G CA 0.897 45.998 45.100 0.000 0.000 0.789 232 G HN 0.175 nan 8.290 nan 0.000 0.536 233 T N -1.323 113.232 114.554 0.002 0.000 2.954 233 T HA 0.363 4.713 4.350 0.000 0.000 0.252 233 T C 1.897 176.600 174.700 0.005 0.000 0.983 233 T CA 0.831 62.934 62.100 0.005 0.000 0.941 233 T CB 0.676 69.547 68.868 0.006 0.000 1.141 233 T HN 0.827 nan 8.240 nan 0.000 0.500 234 G N 2.500 111.303 108.800 0.004 0.000 2.234 234 G HA2 -0.311 3.649 3.960 0.000 0.000 0.260 234 G HA3 -0.311 3.649 3.960 0.000 0.000 0.260 234 G C 0.460 175.364 174.900 0.006 0.000 0.987 234 G CA 0.415 45.517 45.100 0.004 0.000 0.625 234 G HN 0.997 nan 8.290 nan 0.000 0.532 235 S N -0.135 115.570 115.700 0.007 0.000 2.564 235 S HA 0.638 5.108 4.470 0.000 0.000 0.278 235 S C 0.388 174.992 174.600 0.007 0.000 1.333 235 S CA -0.050 58.157 58.200 0.010 0.000 1.048 235 S CB 2.330 65.537 63.200 0.012 0.000 0.900 235 S HN 1.084 nan 8.310 nan 0.000 0.505 236 V N 2.217 122.138 119.914 0.012 0.000 2.966 236 V HA 0.614 4.734 4.120 0.000 0.000 0.317 236 V C 0.398 176.494 176.094 0.004 0.000 1.070 236 V CA -0.749 61.556 62.300 0.009 0.000 1.008 236 V CB 1.866 33.702 31.823 0.022 0.000 1.070 236 V HN 1.030 nan 8.190 nan 0.000 0.457 237 T N 3.969 118.517 114.554 -0.011 0.000 2.890 237 T HA 0.653 5.003 4.350 0.000 0.000 0.295 237 T C -0.508 174.166 174.700 -0.043 0.000 0.993 237 T CA -0.160 61.923 62.100 -0.028 0.000 0.979 237 T CB 0.677 69.518 68.868 -0.045 0.000 0.967 237 T HN 0.615 nan 8.240 nan 0.000 0.441 238 I N 0.347 120.892 120.570 -0.043 0.000 2.957 238 I HA 0.762 4.932 4.170 0.000 0.000 0.310 238 I C -0.465 175.595 176.117 -0.096 0.000 1.063 238 I CA -1.473 59.785 61.300 -0.069 0.000 1.033 238 I CB 2.039 40.007 38.000 -0.054 0.000 1.230 238 I HN 0.252 nan 8.210 nan 0.000 0.447 239 R N 2.325 122.748 120.500 -0.128 0.000 2.514 239 R HA 0.783 5.123 4.340 0.000 0.000 0.301 239 R C -0.814 175.473 176.300 -0.021 0.000 0.962 239 R CA -0.781 55.262 56.100 -0.096 0.000 0.882 239 R CB 2.145 32.285 30.300 -0.267 0.000 1.143 239 R HN 0.876 nan 8.270 nan 0.000 0.452 240 A N 2.351 125.217 122.820 0.076 0.000 2.312 240 A HA 0.606 4.926 4.320 0.000 0.000 0.328 240 A C -0.616 177.071 177.584 0.171 0.000 1.158 240 A CA -0.611 51.453 52.037 0.045 0.000 0.821 240 A CB 1.294 20.387 19.000 0.155 0.000 1.170 240 A HN 0.440 nan 8.150 nan 0.000 0.490 241 V N 2.489 122.377 119.914 -0.045 0.000 2.349 241 V HA 0.429 4.549 4.120 0.000 0.000 0.284 241 V C -1.206 174.766 176.094 -0.204 0.000 1.014 241 V CA -0.163 62.144 62.300 0.011 0.000 0.826 241 V CB 0.290 32.144 31.823 0.052 0.000 1.009 241 V HN 0.691 nan 8.190 nan 0.000 0.431 242 F N 5.191 125.097 119.950 -0.073 0.000 2.458 242 F HA 0.657 5.184 4.527 0.000 0.000 0.330 242 F C -2.223 173.523 175.800 -0.089 0.000 1.082 242 F CA -2.799 55.163 58.000 -0.064 0.000 0.995 242 F CB 1.663 40.596 39.000 -0.112 0.000 1.170 242 F HN 0.271 nan 8.300 nan 0.000 0.478 243 P HA 0.164 nan 4.420 nan 0.000 0.275 243 P C -0.785 176.612 177.300 0.160 0.000 1.227 243 P CA -0.152 62.993 63.100 0.076 0.000 0.781 243 P CB 0.570 32.315 31.700 0.075 0.000 0.906 244 N N 2.085 120.820 118.700 0.060 0.000 2.687 244 N HA 0.235 4.975 4.740 0.000 0.000 0.275 244 N C -2.691 172.849 175.510 0.051 0.000 1.789 244 N CA -1.997 51.109 53.050 0.094 0.000 0.806 244 N CB 0.441 38.925 38.487 -0.006 0.000 1.256 244 N HN 0.152 nan 8.380 nan 0.000 0.500 245 P HA 0.306 nan 4.420 nan 0.000 0.289 245 P C -0.253 177.067 177.300 0.035 0.000 1.299 245 P CA 0.098 63.210 63.100 0.019 0.000 0.766 245 P CB 0.748 32.452 31.700 0.008 0.000 1.226 246 N N -1.533 117.177 118.700 0.018 0.000 2.922 246 N HA -0.252 4.488 4.740 0.000 0.000 0.231 246 N C 0.471 175.998 175.510 0.029 0.000 0.889 246 N CA 1.377 54.440 53.050 0.021 0.000 1.027 246 N CB -2.201 36.300 38.487 0.023 0.000 1.059 246 N HN 0.691 nan 8.380 nan 0.000 0.613 247 N N 0.903 119.622 118.700 0.032 0.000 2.721 247 N HA -0.208 4.532 4.740 0.000 0.000 0.249 247 N C 0.445 175.976 175.510 0.036 0.000 1.072 247 N CA 1.428 54.493 53.050 0.025 0.000 0.710 247 N CB -0.619 37.875 38.487 0.012 0.000 0.993 247 N HN 0.655 nan 8.380 nan 0.000 0.547 248 E N -0.296 119.948 120.200 0.074 0.000 2.106 248 E HA -0.048 4.302 4.350 0.000 0.000 0.192 248 E C 0.612 177.240 176.600 0.047 0.000 0.984 248 E CA 0.706 57.159 56.400 0.089 0.000 0.806 248 E CB 0.145 29.955 29.700 0.183 0.000 0.750 248 E HN 0.446 nan 8.360 nan 0.000 0.458 249 L N 1.912 123.136 121.223 0.001 0.000 2.326 249 L HA 0.323 4.663 4.340 0.000 0.000 0.278 249 L C -0.238 176.595 176.870 -0.062 0.000 1.092 249 L CA -0.276 54.507 54.840 -0.095 0.000 0.810 249 L CB 0.708 42.614 42.059 -0.256 0.000 1.153 249 L HN 0.018 nan 8.230 nan 0.000 0.439 250 L N 3.875 125.065 121.223 -0.055 0.000 2.371 250 L HA 0.546 4.886 4.340 0.000 0.000 0.262 250 L C -2.382 174.465 176.870 -0.038 0.000 1.006 250 L CA -2.171 52.650 54.840 -0.032 0.000 0.818 250 L CB 2.344 44.397 42.059 -0.010 0.000 1.354 250 L HN 0.308 nan 8.230 nan 0.000 0.415 251 P HA 0.096 nan 4.420 nan 0.000 0.265 251 P C 0.645 177.920 177.300 -0.041 0.000 1.187 251 P CA 0.802 63.883 63.100 -0.031 0.000 0.766 251 P CB 0.653 32.347 31.700 -0.011 0.000 0.820 252 G N 1.458 110.207 108.800 -0.085 0.000 2.213 252 G HA2 -0.240 3.720 3.960 0.000 0.000 0.236 252 G HA3 -0.240 3.720 3.960 0.000 0.000 0.236 252 G C 0.163 174.990 174.900 -0.122 0.000 0.991 252 G CA -0.343 44.691 45.100 -0.110 0.000 0.629 252 G HN 0.449 nan 8.290 nan 0.000 0.517 253 M N 0.784 120.337 119.600 -0.080 0.000 2.228 253 M HA 0.462 4.942 4.480 0.000 0.000 0.351 253 M C -0.306 175.948 176.300 -0.076 0.000 1.233 253 M CA 0.115 55.419 55.300 0.006 0.000 1.129 253 M CB 0.227 32.809 32.600 -0.030 0.000 1.604 253 M HN 0.049 nan 8.290 nan 0.000 0.457 254 F N 3.571 123.466 119.950 -0.092 0.000 2.368 254 F HA 0.351 4.878 4.527 0.000 0.000 0.362 254 F C 0.495 176.179 175.800 -0.192 0.000 1.137 254 F CA -0.732 57.189 58.000 -0.131 0.000 1.161 254 F CB -0.190 38.747 39.000 -0.106 0.000 1.265 254 F HN 0.320 nan 8.300 nan 0.000 0.530 255 V N 0.106 119.941 119.914 -0.131 0.000 3.352 255 V HA 0.642 4.762 4.120 0.000 0.000 0.299 255 V C -0.672 175.193 176.094 -0.382 0.000 1.228 255 V CA -0.654 61.535 62.300 -0.185 0.000 1.017 255 V CB 2.069 33.791 31.823 -0.168 0.000 1.237 255 V HN 0.541 nan 8.190 nan 0.000 0.472 256 H N 0.052 119.120 119.070 -0.003 0.000 3.017 256 H HA 0.726 5.282 4.556 0.000 0.000 0.340 256 H C -0.277 175.074 175.328 0.039 0.000 1.014 256 H CA 0.241 56.305 56.048 0.026 0.000 1.341 256 H CB 1.574 31.357 29.762 0.036 0.000 1.739 256 H HN 1.149 nan 8.280 nan 0.000 0.506 257 A N 3.138 126.074 122.820 0.193 0.000 2.302 257 A HA 0.529 4.849 4.320 0.000 0.000 0.285 257 A C -0.211 177.480 177.584 0.178 0.000 1.105 257 A CA -0.485 51.678 52.037 0.210 0.000 0.816 257 A CB 0.784 19.906 19.000 0.204 0.000 1.067 257 A HN 0.711 nan 8.150 nan 0.000 0.489 258 Q N 0.548 120.451 119.800 0.171 0.000 2.323 258 Q HA 0.679 5.019 4.340 0.000 0.000 0.271 258 Q C -1.213 174.851 176.000 0.107 0.000 1.048 258 Q CA -0.283 55.593 55.803 0.123 0.000 0.792 258 Q CB 2.366 31.169 28.738 0.109 0.000 1.280 258 Q HN 0.690 nan 8.270 nan 0.000 0.441 259 L N 0.000 121.278 121.223 0.091 0.000 2.949 259 L HA 0.000 4.340 4.340 0.000 0.000 0.249 259 L CA 0.000 54.892 54.840 0.087 0.000 0.813 259 L CB 0.000 42.123 42.059 0.107 0.000 0.961 259 L HN 0.000 nan 8.230 nan 0.000 0.502