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 3bp9_1_V DATA FIRST_RESID 1 DATA SEQUENCE PLRLGGNGQL QYWPFSSSDL YNWKNNNPSF SEDPGKLTAL IESVLTTHQP DATA SEQUENCE TWDDCQQLLG TLLTGEEKQR VLLEARKAVX XXXXXXXXXX XEVDAAFPLE DATA SEQUENCE RPDWDYTTTE GRNHLVLYRQ LLLAGLQNAG R 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.196 177.300 -0.173 0.000 1.155 1 P CA 0.000 62.931 63.100 -0.282 0.000 0.800 1 P CB 0.000 31.576 31.700 -0.206 0.000 0.726 2 L N 0.587 121.765 121.223 -0.076 0.000 2.410 2 L HA 0.710 5.050 4.340 -0.000 0.000 0.270 2 L C 0.044 176.899 176.870 -0.025 0.000 0.983 2 L CA -0.643 54.159 54.840 -0.062 0.000 0.822 2 L CB 2.249 44.267 42.059 -0.069 0.000 1.285 2 L HN 0.535 nan 8.230 nan 0.000 0.409 3 R N 2.971 123.475 120.500 0.007 0.000 2.774 3 R HA 0.668 5.008 4.340 -0.000 0.000 0.272 3 R C -1.425 174.906 176.300 0.052 0.000 1.000 3 R CA -1.059 55.052 56.100 0.018 0.000 0.906 3 R CB 1.570 31.865 30.300 -0.007 0.000 1.227 3 R HN 0.381 nan 8.270 nan 0.000 0.468 4 L N 1.146 122.395 121.223 0.044 0.000 2.453 4 L HA 0.365 4.704 4.340 -0.000 0.000 0.272 4 L C 0.583 177.490 176.870 0.061 0.000 1.182 4 L CA 0.074 54.947 54.840 0.054 0.000 0.858 4 L CB 0.756 42.838 42.059 0.039 0.000 1.120 4 L HN 1.018 nan 8.230 nan 0.000 0.474 5 G N 0.936 109.784 108.800 0.080 0.000 4.040 5 G HA2 0.483 4.443 3.960 -0.000 0.000 0.328 5 G HA3 0.483 4.443 3.960 -0.000 0.000 0.328 5 G C 0.522 175.469 174.900 0.079 0.000 1.503 5 G CA 0.338 45.496 45.100 0.096 0.000 0.909 5 G HN 0.973 nan 8.290 nan 0.000 0.495 6 G N 2.803 111.635 108.800 0.054 0.000 4.165 6 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.211 6 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.211 6 G C 1.509 176.431 174.900 0.037 0.000 1.469 6 G CA 0.932 46.058 45.100 0.044 0.000 0.964 6 G HN 1.183 nan 8.290 nan 0.000 0.613 7 N N 1.399 120.124 118.700 0.041 0.000 2.309 7 N HA 0.335 5.075 4.740 -0.000 0.000 0.182 7 N C 1.913 177.443 175.510 0.033 0.000 1.018 7 N CA 2.401 55.471 53.050 0.034 0.000 0.876 7 N CB -0.165 38.343 38.487 0.035 0.000 0.972 7 N HN 2.060 nan 8.380 nan 0.000 0.434 8 G N -1.942 106.881 108.800 0.038 0.000 2.307 8 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.210 8 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.210 8 G C 0.285 175.212 174.900 0.045 0.000 1.005 8 G CA 0.173 45.294 45.100 0.036 0.000 0.634 8 G HN 0.817 nan 8.290 nan 0.000 0.496 9 Q N 0.516 120.347 119.800 0.051 0.000 2.330 9 Q HA 0.650 4.990 4.340 -0.000 0.000 0.279 9 Q C 0.369 176.421 176.000 0.087 0.000 1.024 9 Q CA 0.501 56.344 55.803 0.066 0.000 0.900 9 Q CB 0.704 29.480 28.738 0.064 0.000 1.221 9 Q HN 1.499 nan 8.270 nan 0.000 0.396 10 L N 2.921 124.209 121.223 0.108 0.000 2.361 10 L HA 0.318 4.657 4.340 -0.000 0.000 0.278 10 L C 0.457 177.433 176.870 0.177 0.000 1.113 10 L CA 0.560 55.473 54.840 0.123 0.000 0.849 10 L CB 0.751 42.889 42.059 0.131 0.000 1.155 10 L HN 0.965 nan 8.230 nan 0.000 0.452 11 Q N 4.011 123.877 119.800 0.110 0.000 2.687 11 Q HA 0.369 4.709 4.340 -0.000 0.000 0.305 11 Q C -1.729 174.265 176.000 -0.010 0.000 1.006 11 Q CA -0.970 54.893 55.803 0.100 0.000 0.763 11 Q CB 1.773 30.574 28.738 0.104 0.000 1.506 11 Q HN 0.514 nan 8.270 nan 0.000 0.459 12 Y N 0.229 120.406 120.300 -0.205 0.000 2.326 12 Y HA 0.550 5.100 4.550 -0.000 0.000 0.331 12 Y C -1.975 173.809 175.900 -0.194 0.000 0.962 12 Y CA -0.755 57.194 58.100 -0.251 0.000 1.167 12 Y CB 1.170 39.400 38.460 -0.383 0.000 1.148 12 Y HN 0.667 nan 8.280 nan 0.000 0.463 13 W N 8.145 128.989 121.300 -0.760 0.000 2.627 13 W HA 0.574 5.234 4.660 -0.001 0.000 0.339 13 W C -2.314 173.545 176.519 -1.100 0.000 1.058 13 W CA -2.127 54.800 57.345 -0.697 0.000 1.223 13 W CB 1.135 30.387 29.460 -0.348 0.000 1.389 13 W HN 0.417 nan 8.180 nan 0.000 0.541 14 P HA 0.186 nan 4.420 nan 0.000 0.276 14 P C -0.603 176.626 177.300 -0.118 0.000 1.252 14 P CA -0.291 62.651 63.100 -0.262 0.000 0.802 14 P CB 0.820 32.546 31.700 0.043 0.000 1.035 15 F N -0.047 119.907 119.950 0.005 0.000 2.563 15 F HA 0.013 4.540 4.527 -0.001 0.000 0.363 15 F C 1.817 177.594 175.800 -0.038 0.000 1.123 15 F CA 0.386 58.385 58.000 -0.001 0.000 1.307 15 F CB 0.329 39.325 39.000 -0.008 0.000 1.115 15 F HN 0.184 nan 8.300 nan 0.000 0.592 16 S N 1.901 117.695 115.700 0.157 0.000 2.474 16 S HA 0.078 4.548 4.470 -0.000 0.000 0.276 16 S C 1.207 175.761 174.600 -0.077 0.000 1.227 16 S CA -0.319 57.893 58.200 0.020 0.000 1.050 16 S CB 0.802 63.980 63.200 -0.038 0.000 0.939 16 S HN 0.786 nan 8.310 nan 0.000 0.490 17 S N 4.567 120.219 115.700 -0.080 0.000 2.387 17 S HA -0.177 4.293 4.470 -0.000 0.000 0.230 17 S C 1.901 176.391 174.600 -0.184 0.000 1.035 17 S CA 1.743 59.817 58.200 -0.210 0.000 1.014 17 S CB -1.082 62.105 63.200 -0.021 0.000 0.836 17 S HN 0.846 nan 8.310 nan 0.000 0.466 18 S N 2.869 118.521 115.700 -0.079 0.000 2.359 18 S HA -0.208 4.261 4.470 -0.000 0.000 0.222 18 S C 1.597 176.042 174.600 -0.258 0.000 1.038 18 S CA 1.424 59.575 58.200 -0.083 0.000 1.051 18 S CB -1.084 62.070 63.200 -0.077 0.000 0.944 18 S HN 0.564 nan 8.310 nan 0.000 0.433 19 D N 1.593 121.743 120.400 -0.416 0.000 2.158 19 D HA -0.072 4.567 4.640 -0.000 0.000 0.197 19 D C 1.947 177.554 176.300 -1.155 0.000 0.995 19 D CA 0.976 54.448 54.000 -0.881 0.000 0.846 19 D CB -0.277 39.961 40.800 -0.937 0.000 0.941 19 D HN 0.350 nan 8.370 nan 0.000 0.456 20 L N -0.409 120.397 121.223 -0.695 0.000 1.993 20 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 20 L C 2.591 179.308 176.870 -0.256 0.000 1.074 20 L CA 1.015 55.580 54.840 -0.460 0.000 0.746 20 L CB -0.736 40.972 42.059 -0.584 0.000 0.896 20 L HN 0.073 nan 8.230 nan 0.000 0.435 21 Y N 0.135 120.353 120.300 -0.136 0.000 2.193 21 Y HA -0.294 4.256 4.550 -0.000 0.000 0.285 21 Y C 2.575 178.428 175.900 -0.079 0.000 1.166 21 Y CA 0.930 58.981 58.100 -0.081 0.000 1.181 21 Y CB -0.410 38.005 38.460 -0.075 0.000 0.976 21 Y HN 0.318 nan 8.280 nan 0.000 0.520 22 N N -0.639 118.037 118.700 -0.040 0.000 2.043 22 N HA -0.204 4.535 4.740 -0.000 0.000 0.193 22 N C 1.444 176.976 175.510 0.036 0.000 1.037 22 N CA 1.477 54.482 53.050 -0.076 0.000 0.851 22 N CB -0.673 37.663 38.487 -0.251 0.000 1.027 22 N HN 0.345 nan 8.380 nan 0.000 0.422 23 W N 1.988 123.263 121.300 -0.041 0.000 2.342 23 W HA -0.076 4.584 4.660 0.000 0.000 0.297 23 W C 2.262 178.757 176.519 -0.040 0.000 1.213 23 W CA 0.707 58.016 57.345 -0.061 0.000 1.251 23 W CB -0.985 28.400 29.460 -0.126 0.000 1.136 23 W HN 0.233 nan 8.180 nan 0.000 0.526 24 K N 0.640 121.160 120.400 0.201 0.000 1.965 24 K HA -0.185 4.135 4.320 -0.000 0.000 0.214 24 K C 1.551 178.215 176.600 0.107 0.000 1.046 24 K CA 1.860 58.226 56.287 0.132 0.000 0.944 24 K CB -0.553 32.033 32.500 0.143 0.000 0.726 24 K HN -0.126 nan 8.250 nan 0.000 0.441 25 N N 1.325 120.085 118.700 0.100 0.000 2.588 25 N HA -0.114 4.626 4.740 -0.000 0.000 0.190 25 N C 0.229 175.776 175.510 0.061 0.000 1.094 25 N CA 0.764 53.854 53.050 0.067 0.000 0.921 25 N CB -0.168 38.348 38.487 0.049 0.000 0.959 25 N HN 0.334 nan 8.380 nan 0.000 0.448 26 N N 0.231 118.980 118.700 0.081 0.000 2.200 26 N HA 0.122 4.862 4.740 -0.000 0.000 0.224 26 N C -0.628 174.927 175.510 0.075 0.000 1.179 26 N CA -0.041 53.053 53.050 0.074 0.000 0.877 26 N CB 0.722 39.259 38.487 0.084 0.000 1.072 26 N HN 0.192 nan 8.380 nan 0.000 0.519 27 N N 0.852 119.596 118.700 0.074 0.000 2.455 27 N HA 0.413 5.152 4.740 -0.000 0.000 0.278 27 N C -2.854 172.690 175.510 0.056 0.000 1.291 27 N CA -0.984 52.101 53.050 0.059 0.000 0.780 27 N CB 2.518 41.037 38.487 0.054 0.000 1.520 27 N HN -0.163 nan 8.380 nan 0.000 0.486 28 P HA 0.073 nan 4.420 nan 0.000 0.272 28 P C 0.078 177.423 177.300 0.074 0.000 1.223 28 P CA -0.206 62.926 63.100 0.054 0.000 0.784 28 P CB 0.400 32.128 31.700 0.048 0.000 0.923 29 S N 1.514 117.260 115.700 0.076 0.000 2.598 29 S HA 0.022 4.491 4.470 -0.000 0.000 0.256 29 S C 0.983 175.686 174.600 0.171 0.000 1.350 29 S CA -0.293 57.970 58.200 0.105 0.000 0.984 29 S CB -0.215 63.036 63.200 0.085 0.000 0.930 29 S HN 0.320 nan 8.310 nan 0.000 0.577 30 F N 1.853 121.801 119.950 -0.003 0.000 2.010 30 F HA -0.081 4.446 4.527 -0.001 0.000 0.296 30 F C 2.710 178.504 175.800 -0.009 0.000 1.146 30 F CA 1.946 59.940 58.000 -0.010 0.000 1.181 30 F CB -1.569 37.425 39.000 -0.011 0.000 0.965 30 F HN 0.640 nan 8.300 nan 0.000 0.480 31 S N 0.560 116.206 115.700 -0.090 0.000 2.400 31 S HA -0.197 4.273 4.470 -0.000 0.000 0.232 31 S C 1.766 176.299 174.600 -0.112 0.000 1.025 31 S CA 1.302 59.375 58.200 -0.211 0.000 0.993 31 S CB -0.486 62.638 63.200 -0.126 0.000 0.808 31 S HN 0.467 nan 8.310 nan 0.000 0.478 32 E N 0.834 121.014 120.200 -0.033 0.000 2.097 32 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 32 E C 0.258 176.847 176.600 -0.019 0.000 1.000 32 E CA 1.131 57.522 56.400 -0.015 0.000 0.804 32 E CB -0.104 29.605 29.700 0.014 0.000 0.740 32 E HN 0.392 nan 8.360 nan 0.000 0.454 33 D N -1.672 118.725 120.400 -0.006 0.000 2.474 33 D HA 0.135 4.775 4.640 -0.000 0.000 0.234 33 D C -2.329 173.994 176.300 0.038 0.000 1.323 33 D CA -1.554 52.445 54.000 -0.003 0.000 0.915 33 D CB 1.114 41.921 40.800 0.012 0.000 1.487 33 D HN -0.295 nan 8.370 nan 0.000 0.524 34 P HA -0.064 nan 4.420 nan 0.000 0.214 34 P C 1.547 178.938 177.300 0.152 0.000 1.163 34 P CA 1.737 64.913 63.100 0.127 0.000 0.889 34 P CB 0.234 31.858 31.700 -0.127 0.000 0.790 35 G N -0.083 108.754 108.800 0.062 0.000 2.517 35 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.222 35 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.222 35 G C 1.533 176.455 174.900 0.036 0.000 1.109 35 G CA 0.973 46.098 45.100 0.042 0.000 0.746 35 G HN 0.225 nan 8.290 nan 0.000 0.576 36 K N 0.183 120.608 120.400 0.043 0.000 1.967 36 K HA 0.111 4.431 4.320 -0.000 0.000 0.212 36 K C 2.585 179.195 176.600 0.016 0.000 1.044 36 K CA 0.540 56.844 56.287 0.028 0.000 0.942 36 K CB -1.073 31.447 32.500 0.034 0.000 0.726 36 K HN 0.309 nan 8.250 nan 0.000 0.440 37 L N 1.146 122.397 121.223 0.046 0.000 2.013 37 L HA -0.228 4.111 4.340 -0.000 0.000 0.212 37 L C 2.558 179.395 176.870 -0.055 0.000 1.073 37 L CA 1.565 56.396 54.840 -0.016 0.000 0.753 37 L CB -0.862 41.194 42.059 -0.004 0.000 0.890 37 L HN 0.304 nan 8.230 nan 0.000 0.432 38 T N -0.156 114.411 114.554 0.023 0.000 2.665 38 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 38 T C 1.882 176.554 174.700 -0.046 0.000 1.035 38 T CA 1.653 63.750 62.100 -0.004 0.000 1.151 38 T CB -0.207 68.698 68.868 0.062 0.000 0.862 38 T HN 0.504 nan 8.240 nan 0.000 0.438 39 A N 0.424 123.223 122.820 -0.035 0.000 2.019 39 A HA 0.020 4.339 4.320 -0.000 0.000 0.219 39 A C 2.221 179.745 177.584 -0.100 0.000 1.164 39 A CA 1.212 53.219 52.037 -0.050 0.000 0.644 39 A CB -0.685 18.298 19.000 -0.029 0.000 0.805 39 A HN 0.473 nan 8.150 nan 0.000 0.449 40 L N -0.548 120.590 121.223 -0.143 0.000 1.973 40 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 40 L C 2.271 178.944 176.870 -0.329 0.000 1.073 40 L CA 1.804 56.484 54.840 -0.267 0.000 0.746 40 L CB -0.326 41.540 42.059 -0.321 0.000 0.891 40 L HN 0.343 nan 8.230 nan 0.000 0.433 41 I N 0.082 120.481 120.570 -0.285 0.000 2.163 41 I HA -0.317 3.852 4.170 -0.000 0.000 0.243 41 I C 2.529 178.540 176.117 -0.176 0.000 1.085 41 I CA 1.838 62.974 61.300 -0.273 0.000 1.347 41 I CB -0.694 37.172 38.000 -0.223 0.000 1.044 41 I HN 0.445 nan 8.210 nan 0.000 0.408 42 E N 0.198 120.326 120.200 -0.120 0.000 2.097 42 E HA -0.296 4.053 4.350 -0.000 0.000 0.196 42 E C 2.302 178.869 176.600 -0.056 0.000 1.000 42 E CA 1.798 58.158 56.400 -0.065 0.000 0.804 42 E CB -0.171 29.502 29.700 -0.044 0.000 0.740 42 E HN 0.396 nan 8.360 nan 0.000 0.454 43 S N -0.716 114.932 115.700 -0.086 0.000 2.368 43 S HA -0.080 4.390 4.470 -0.000 0.000 0.224 43 S C 1.907 176.483 174.600 -0.041 0.000 1.029 43 S CA 1.052 59.216 58.200 -0.059 0.000 0.988 43 S CB -0.060 63.094 63.200 -0.076 0.000 0.838 43 S HN 0.270 nan 8.310 nan 0.000 0.462 44 V N 1.996 121.820 119.914 -0.149 0.000 2.970 44 V HA -0.008 4.112 4.120 -0.000 0.000 0.260 44 V C 2.136 178.248 176.094 0.030 0.000 1.100 44 V CA 0.999 63.220 62.300 -0.131 0.000 1.122 44 V CB -0.510 30.962 31.823 -0.586 0.000 0.721 44 V HN 0.456 nan 8.190 nan 0.000 0.483 45 L N -0.560 120.665 121.223 0.004 0.000 2.044 45 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 45 L C 2.591 179.514 176.870 0.087 0.000 1.075 45 L CA 1.902 56.777 54.840 0.058 0.000 0.747 45 L CB -0.757 41.323 42.059 0.036 0.000 0.903 45 L HN 0.366 nan 8.230 nan 0.000 0.435 46 T N -1.223 113.370 114.554 0.065 0.000 2.639 46 T HA -0.178 4.172 4.350 -0.000 0.000 0.261 46 T C 1.876 176.627 174.700 0.086 0.000 1.053 46 T CA 2.009 64.147 62.100 0.065 0.000 1.158 46 T CB -0.588 68.305 68.868 0.041 0.000 0.863 46 T HN 0.499 nan 8.240 nan 0.000 0.413 47 T N 0.071 114.693 114.554 0.113 0.000 2.833 47 T HA -0.172 4.177 4.350 -0.000 0.000 0.269 47 T C 1.532 176.261 174.700 0.048 0.000 1.054 47 T CA 1.506 63.662 62.100 0.094 0.000 1.135 47 T CB -0.463 68.485 68.868 0.134 0.000 0.869 47 T HN 0.483 nan 8.240 nan 0.000 0.466 48 H N 0.521 119.631 119.070 0.067 0.000 2.652 48 H HA 0.419 4.975 4.556 -0.001 0.000 0.274 48 H C 0.381 175.720 175.328 0.019 0.000 1.021 48 H CA -0.371 55.716 56.048 0.065 0.000 1.187 48 H CB 0.085 29.953 29.762 0.177 0.000 1.505 48 H HN 0.379 nan 8.280 nan 0.000 0.530 49 Q N 1.177 121.059 119.800 0.136 0.000 2.429 49 Q HA -0.138 4.201 4.340 -0.000 0.000 0.365 49 Q C -2.413 173.642 176.000 0.092 0.000 1.384 49 Q CA -0.128 55.733 55.803 0.096 0.000 1.089 49 Q CB -0.699 28.072 28.738 0.055 0.000 1.264 49 Q HN 0.417 nan 8.270 nan 0.000 0.342 50 P HA 0.008 nan 4.420 nan 0.000 0.275 50 P C 0.343 177.726 177.300 0.139 0.000 1.228 50 P CA 0.081 63.246 63.100 0.108 0.000 0.786 50 P CB 0.885 32.700 31.700 0.191 0.000 0.927 51 T N -0.840 113.799 114.554 0.141 0.000 2.729 51 T HA 0.022 4.372 4.350 -0.000 0.000 0.298 51 T C 0.943 175.744 174.700 0.168 0.000 1.013 51 T CA -0.360 61.843 62.100 0.170 0.000 0.957 51 T CB 0.017 68.959 68.868 0.123 0.000 1.130 51 T HN 0.489 nan 8.240 nan 0.000 0.526 52 W N 0.661 121.950 121.300 -0.018 0.000 2.354 52 W HA -0.082 4.578 4.660 -0.000 0.000 0.315 52 W C 2.007 178.472 176.519 -0.090 0.000 1.206 52 W CA 1.875 59.105 57.345 -0.191 0.000 1.290 52 W CB -0.477 28.745 29.460 -0.396 0.000 1.152 52 W HN 0.762 nan 8.180 nan 0.000 0.489 53 D N 0.133 120.664 120.400 0.218 0.000 2.117 53 D HA -0.219 4.421 4.640 -0.000 0.000 0.197 53 D C 1.536 177.829 176.300 -0.012 0.000 0.987 53 D CA 1.916 55.967 54.000 0.086 0.000 0.829 53 D CB -0.549 40.372 40.800 0.201 0.000 0.961 53 D HN 0.197 nan 8.370 nan 0.000 0.460 54 D N 0.725 121.187 120.400 0.102 0.000 2.126 54 D HA -0.154 4.486 4.640 -0.000 0.000 0.190 54 D C 2.303 178.728 176.300 0.207 0.000 1.001 54 D CA 0.722 54.858 54.000 0.227 0.000 0.841 54 D CB -0.739 40.156 40.800 0.158 0.000 0.949 54 D HN 0.220 nan 8.370 nan 0.000 0.446 55 C N 1.098 120.426 119.300 0.048 0.000 2.403 55 C HA -0.159 4.300 4.460 -0.000 0.000 0.277 55 C C 2.604 177.500 174.990 -0.157 0.000 1.248 55 C CA 0.464 59.466 59.018 -0.026 0.000 1.762 55 C CB -0.752 26.980 27.740 -0.013 0.000 2.014 55 C HN 0.380 nan 8.230 nan 0.000 0.486 56 Q N 0.546 120.146 119.800 -0.332 0.000 1.921 56 Q HA -0.236 4.103 4.340 -0.000 0.000 0.208 56 Q C 2.086 178.011 176.000 -0.125 0.000 0.994 56 Q CA 1.429 57.056 55.803 -0.292 0.000 0.857 56 Q CB -1.138 27.374 28.738 -0.378 0.000 0.925 56 Q HN 0.720 nan 8.270 nan 0.000 0.421 57 Q N 0.378 120.146 119.800 -0.054 0.000 2.142 57 Q HA -0.228 4.111 4.340 -0.000 0.000 0.213 57 Q C 2.178 178.129 176.000 -0.083 0.000 1.004 57 Q CA 1.817 57.615 55.803 -0.009 0.000 0.883 57 Q CB -0.330 28.477 28.738 0.116 0.000 0.939 57 Q HN 0.386 nan 8.270 nan 0.000 0.413 58 L N -0.050 121.118 121.223 -0.091 0.000 1.961 58 L HA -0.240 4.099 4.340 -0.000 0.000 0.210 58 L C 2.239 179.009 176.870 -0.167 0.000 1.072 58 L CA 1.358 56.073 54.840 -0.208 0.000 0.749 58 L CB -0.316 41.642 42.059 -0.168 0.000 0.889 58 L HN 0.328 nan 8.230 nan 0.000 0.432 59 L N -0.149 120.991 121.223 -0.138 0.000 1.971 59 L HA -0.203 4.136 4.340 -0.000 0.000 0.215 59 L C 2.536 179.342 176.870 -0.107 0.000 1.072 59 L CA 1.570 56.327 54.840 -0.139 0.000 0.758 59 L CB -1.447 40.541 42.059 -0.119 0.000 0.889 59 L HN 0.479 nan 8.230 nan 0.000 0.433 60 G N -1.895 106.856 108.800 -0.083 0.000 2.586 60 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.215 60 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.215 60 G C 1.404 176.285 174.900 -0.032 0.000 1.128 60 G CA 1.215 46.287 45.100 -0.046 0.000 0.774 60 G HN 0.330 nan 8.290 nan 0.000 0.543 61 T N -0.022 114.496 114.554 -0.059 0.000 3.071 61 T HA 0.154 4.504 4.350 -0.000 0.000 0.239 61 T C 2.175 176.861 174.700 -0.024 0.000 0.997 61 T CA -0.047 62.027 62.100 -0.044 0.000 1.134 61 T CB 0.051 68.842 68.868 -0.128 0.000 0.928 61 T HN 0.138 nan 8.240 nan 0.000 0.453 62 L N 0.614 121.798 121.223 -0.065 0.000 2.509 62 L HA 0.358 4.698 4.340 -0.000 0.000 0.222 62 L C 0.346 177.178 176.870 -0.065 0.000 1.123 62 L CA 0.381 55.186 54.840 -0.057 0.000 0.856 62 L CB -0.082 41.911 42.059 -0.110 0.000 0.985 62 L HN 0.109 nan 8.230 nan 0.000 0.456 63 L N -0.255 120.924 121.223 -0.074 0.000 2.334 63 L HA 0.332 4.672 4.340 -0.000 0.000 0.272 63 L C 0.410 177.291 176.870 0.018 0.000 1.020 63 L CA -0.749 54.057 54.840 -0.058 0.000 0.812 63 L CB 1.879 43.870 42.059 -0.114 0.000 1.264 63 L HN 0.057 nan 8.230 nan 0.000 0.439 64 T N -1.001 113.595 114.554 0.071 0.000 2.916 64 T HA 0.058 4.408 4.350 -0.000 0.000 0.303 64 T C 1.412 176.146 174.700 0.055 0.000 1.025 64 T CA -0.124 62.018 62.100 0.070 0.000 1.142 64 T CB 1.224 70.145 68.868 0.089 0.000 0.947 64 T HN 0.798 nan 8.240 nan 0.000 0.544 65 G N 1.686 110.511 108.800 0.043 0.000 2.547 65 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.221 65 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.221 65 G C 1.384 176.310 174.900 0.043 0.000 1.140 65 G CA 0.997 46.119 45.100 0.037 0.000 0.760 65 G HN 1.053 nan 8.290 nan 0.000 0.583 66 E N -0.450 119.780 120.200 0.050 0.000 2.476 66 E HA 0.510 4.859 4.350 -0.000 0.000 0.196 66 E C 1.697 178.339 176.600 0.071 0.000 1.029 66 E CA 1.194 57.626 56.400 0.053 0.000 0.896 66 E CB -0.730 28.996 29.700 0.043 0.000 1.012 66 E HN 0.675 nan 8.360 nan 0.000 0.475 67 E N 0.669 120.926 120.200 0.095 0.000 2.400 67 E HA 0.086 4.436 4.350 -0.000 0.000 0.195 67 E C 1.883 178.573 176.600 0.150 0.000 1.012 67 E CA 0.845 57.344 56.400 0.165 0.000 0.875 67 E CB -0.281 29.576 29.700 0.261 0.000 0.859 67 E HN 0.465 nan 8.360 nan 0.000 0.498 68 K N -0.268 120.176 120.400 0.074 0.000 1.984 68 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 68 K C 2.518 179.153 176.600 0.058 0.000 1.046 68 K CA 1.615 57.922 56.287 0.033 0.000 0.934 68 K CB -0.019 32.488 32.500 0.012 0.000 0.717 68 K HN 0.264 nan 8.250 nan 0.000 0.438 69 Q N 1.182 121.020 119.800 0.064 0.000 2.234 69 Q HA -0.192 4.148 4.340 -0.000 0.000 0.206 69 Q C 1.910 177.952 176.000 0.070 0.000 0.980 69 Q CA 1.653 57.498 55.803 0.071 0.000 0.869 69 Q CB -0.146 28.630 28.738 0.064 0.000 0.912 69 Q HN 0.300 nan 8.270 nan 0.000 0.436 70 R N -1.227 119.317 120.500 0.073 0.000 2.073 70 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 70 R C 1.955 178.296 176.300 0.068 0.000 1.120 70 R CA 1.282 57.424 56.100 0.069 0.000 0.967 70 R CB -0.331 30.018 30.300 0.081 0.000 0.862 70 R HN 0.209 nan 8.270 nan 0.000 0.436 71 V N 1.554 121.522 119.914 0.090 0.000 2.255 71 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 71 V C 2.378 178.477 176.094 0.009 0.000 1.051 71 V CA 1.960 64.295 62.300 0.059 0.000 1.018 71 V CB -0.426 31.408 31.823 0.019 0.000 0.641 71 V HN 0.298 nan 8.190 nan 0.000 0.445 72 L N -0.937 120.324 121.223 0.062 0.000 1.963 72 L HA -0.275 4.065 4.340 -0.000 0.000 0.220 72 L C 2.367 179.235 176.870 -0.005 0.000 1.076 72 L CA 2.036 56.950 54.840 0.124 0.000 0.772 72 L CB -0.805 41.382 42.059 0.213 0.000 0.892 72 L HN 0.234 nan 8.230 nan 0.000 0.435 73 L N -0.778 120.460 121.223 0.024 0.000 2.051 73 L HA -0.256 4.083 4.340 -0.000 0.000 0.214 73 L C 2.775 179.608 176.870 -0.061 0.000 1.076 73 L CA 1.217 56.055 54.840 -0.003 0.000 0.758 73 L CB -0.567 41.504 42.059 0.020 0.000 0.890 73 L HN 0.335 nan 8.230 nan 0.000 0.433 74 E N -0.358 119.801 120.200 -0.068 0.000 2.110 74 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 74 E C 2.259 178.747 176.600 -0.186 0.000 0.988 74 E CA 1.327 57.673 56.400 -0.090 0.000 0.804 74 E CB -0.176 29.494 29.700 -0.050 0.000 0.745 74 E HN 0.541 nan 8.360 nan 0.000 0.458 75 A N 1.398 124.017 122.820 -0.335 0.000 1.929 75 A HA -0.127 4.192 4.320 -0.000 0.000 0.216 75 A C 2.158 179.322 177.584 -0.701 0.000 1.176 75 A CA 0.907 52.547 52.037 -0.662 0.000 0.628 75 A CB -0.285 17.986 19.000 -1.215 0.000 0.816 75 A HN 0.099 nan 8.150 nan 0.000 0.444 76 R N -0.378 119.821 120.500 -0.502 0.000 2.073 76 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 76 R C 2.163 178.397 176.300 -0.111 0.000 1.134 76 R CA 1.552 57.538 56.100 -0.190 0.000 0.952 76 R CB -0.361 29.928 30.300 -0.017 0.000 0.850 76 R HN 0.361 nan 8.270 nan 0.000 0.433 77 K N 1.206 121.544 120.400 -0.103 0.000 2.304 77 K HA -0.178 4.141 4.320 -0.000 0.000 0.204 77 K C 1.571 178.132 176.600 -0.066 0.000 1.044 77 K CA 1.713 57.960 56.287 -0.066 0.000 0.932 77 K CB -0.223 32.241 32.500 -0.060 0.000 0.735 77 K HN 0.272 nan 8.250 nan 0.000 0.468 78 A N -0.525 122.232 122.820 -0.106 0.000 2.218 78 A HA 0.184 4.504 4.320 -0.000 0.000 0.209 78 A C 0.571 178.130 177.584 -0.043 0.000 1.168 78 A CA -0.007 51.980 52.037 -0.082 0.000 0.804 78 A CB 0.014 18.940 19.000 -0.123 0.000 0.834 78 A HN 0.047 nan 8.150 nan 0.000 0.482 93 V N 1.579 121.563 119.914 0.116 0.000 2.548 93 V HA -0.095 4.024 4.120 -0.000 0.000 0.249 93 V C 1.874 178.085 176.094 0.196 0.000 1.055 93 V CA 2.062 64.450 62.300 0.146 0.000 1.065 93 V CB -0.155 31.736 31.823 0.113 0.000 0.681 93 V HN 0.520 nan 8.190 nan 0.000 0.462 94 D N 0.735 121.225 120.400 0.149 0.000 2.219 94 D HA -0.037 4.603 4.640 -0.000 0.000 0.205 94 D C 2.162 178.559 176.300 0.162 0.000 0.970 94 D CA 1.303 55.380 54.000 0.129 0.000 0.851 94 D CB -0.217 40.615 40.800 0.054 0.000 0.943 94 D HN 0.433 nan 8.370 nan 0.000 0.488 95 A N 0.753 123.693 122.820 0.201 0.000 1.873 95 A HA 0.051 4.371 4.320 -0.000 0.000 0.215 95 A C 2.231 180.093 177.584 0.464 0.000 1.186 95 A CA 1.928 54.133 52.037 0.280 0.000 0.616 95 A CB -0.656 18.496 19.000 0.253 0.000 0.823 95 A HN 0.237 nan 8.150 nan 0.000 0.442 96 A N -3.048 120.029 122.820 0.429 0.000 1.975 96 A HA 0.393 4.713 4.320 -0.000 0.000 0.215 96 A C 0.732 178.752 177.584 0.727 0.000 1.170 96 A CA 0.835 53.182 52.037 0.517 0.000 0.656 96 A CB -0.092 19.122 19.000 0.355 0.000 0.821 96 A HN 0.582 nan 8.150 nan 0.000 0.449 97 F N 0.396 120.610 119.950 0.439 0.000 2.766 97 F HA 0.331 4.858 4.527 -0.000 0.000 0.355 97 F C -2.807 173.226 175.800 0.387 0.000 1.434 97 F CA -2.566 55.731 58.000 0.496 0.000 1.139 97 F CB 1.484 40.629 39.000 0.242 0.000 1.816 97 F HN -0.064 nan 8.300 nan 0.000 0.600 98 P HA 0.061 nan 4.420 nan 0.000 0.267 98 P C 1.122 178.499 177.300 0.128 0.000 1.209 98 P CA 0.225 63.337 63.100 0.021 0.000 0.763 98 P CB 0.976 32.450 31.700 -0.377 0.000 0.816 99 L N 1.014 122.338 121.223 0.167 0.000 2.456 99 L HA -0.048 4.292 4.340 -0.000 0.000 0.224 99 L C 0.927 177.901 176.870 0.172 0.000 1.148 99 L CA 1.364 56.341 54.840 0.229 0.000 0.825 99 L CB -0.090 42.074 42.059 0.174 0.000 0.937 99 L HN 0.415 nan 8.230 nan 0.000 0.450 100 E N 0.047 120.195 120.200 -0.086 0.000 2.288 100 E HA 0.209 4.559 4.350 -0.000 0.000 0.268 100 E C -0.570 175.481 176.600 -0.916 0.000 0.885 100 E CA -0.781 55.444 56.400 -0.293 0.000 0.767 100 E CB 1.440 31.016 29.700 -0.207 0.000 1.220 100 E HN 0.123 nan 8.360 nan 0.000 0.427 101 R N 2.056 121.734 120.500 -1.370 0.000 2.488 101 R HA 0.108 4.448 4.340 -0.000 0.000 0.317 101 R C -2.004 173.589 176.300 -1.179 0.000 0.941 101 R CA -0.593 54.359 56.100 -1.913 0.000 1.076 101 R CB -0.648 29.005 30.300 -1.078 0.000 0.917 101 R HN 0.099 nan 8.270 nan 0.000 0.407 102 P HA 0.192 nan 4.420 nan 0.000 0.281 102 P C -0.398 176.441 177.300 -0.768 0.000 1.281 102 P CA -0.106 62.352 63.100 -1.071 0.000 0.811 102 P CB 0.587 31.272 31.700 -1.692 0.000 1.154 103 D N -0.453 119.644 120.400 -0.505 0.000 2.413 103 D HA 0.073 4.713 4.640 -0.000 0.000 0.237 103 D C 0.016 176.269 176.300 -0.079 0.000 1.171 103 D CA -0.531 53.316 54.000 -0.255 0.000 0.839 103 D CB -0.594 40.104 40.800 -0.170 0.000 0.950 103 D HN 0.186 nan 8.370 nan 0.000 0.499 104 W N 0.969 122.150 121.300 -0.199 0.000 2.193 104 W HA 0.355 5.014 4.660 -0.001 0.000 0.338 104 W C 0.425 176.886 176.519 -0.097 0.000 1.310 104 W CA -0.994 56.268 57.345 -0.137 0.000 1.243 104 W CB 0.283 29.672 29.460 -0.118 0.000 1.165 104 W HN 0.123 nan 8.180 nan 0.000 0.566 105 D N 2.784 123.263 120.400 0.131 0.000 2.344 105 D HA 0.040 4.680 4.640 -0.000 0.000 0.239 105 D C 0.693 176.986 176.300 -0.012 0.000 1.064 105 D CA -0.495 53.483 54.000 -0.038 0.000 0.829 105 D CB 1.147 41.886 40.800 -0.101 0.000 1.129 105 D HN 0.379 nan 8.370 nan 0.000 0.506 106 Y N 1.598 121.930 120.300 0.053 0.000 2.509 106 Y HA -0.071 4.478 4.550 -0.000 0.000 0.293 106 Y C 2.056 177.976 175.900 0.034 0.000 1.133 106 Y CA 1.206 59.337 58.100 0.051 0.000 1.283 106 Y CB -0.817 37.682 38.460 0.064 0.000 1.001 106 Y HN 0.273 nan 8.280 nan 0.000 0.555 107 T N -1.580 112.862 114.554 -0.187 0.000 3.043 107 T HA -0.000 4.350 4.350 -0.000 0.000 0.263 107 T C 0.919 175.605 174.700 -0.025 0.000 1.094 107 T CA 0.508 62.564 62.100 -0.072 0.000 1.127 107 T CB -1.083 67.677 68.868 -0.180 0.000 0.905 107 T HN 0.475 nan 8.240 nan 0.000 0.490 108 T N 0.691 115.223 114.554 -0.037 0.000 2.845 108 T HA 0.377 4.726 4.350 -0.000 0.000 0.288 108 T C 1.396 176.095 174.700 -0.002 0.000 0.980 108 T CA -0.053 62.036 62.100 -0.018 0.000 1.071 108 T CB 1.403 70.257 68.868 -0.023 0.000 0.941 108 T HN 0.265 nan 8.240 nan 0.000 0.487 109 T N 0.423 114.974 114.554 -0.006 0.000 2.849 109 T HA -0.160 4.190 4.350 -0.000 0.000 0.270 109 T C 1.472 176.150 174.700 -0.037 0.000 1.066 109 T CA 1.348 63.439 62.100 -0.015 0.000 1.130 109 T CB -0.424 68.434 68.868 -0.017 0.000 0.864 109 T HN 0.819 nan 8.240 nan 0.000 0.481 110 E N 1.432 121.616 120.200 -0.028 0.000 2.031 110 E HA -0.086 4.263 4.350 -0.000 0.000 0.193 110 E C 2.573 179.150 176.600 -0.038 0.000 0.994 110 E CA 1.180 57.564 56.400 -0.028 0.000 0.800 110 E CB -0.662 29.049 29.700 0.018 0.000 0.752 110 E HN 0.595 nan 8.360 nan 0.000 0.447 111 G N 0.790 109.576 108.800 -0.024 0.000 2.418 111 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 111 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 111 G C 1.646 176.493 174.900 -0.089 0.000 1.158 111 G CA 0.568 45.634 45.100 -0.057 0.000 0.771 111 G HN 0.163 nan 8.290 nan 0.000 0.545 112 R N 0.202 120.685 120.500 -0.027 0.000 2.096 112 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 112 R C 2.316 178.574 176.300 -0.070 0.000 1.127 112 R CA 1.324 57.419 56.100 -0.008 0.000 0.968 112 R CB -0.200 30.113 30.300 0.022 0.000 0.861 112 R HN 0.285 nan 8.270 nan 0.000 0.440 113 N N -0.235 118.384 118.700 -0.135 0.000 2.270 113 N HA -0.106 4.633 4.740 -0.000 0.000 0.181 113 N C 1.574 176.911 175.510 -0.289 0.000 1.016 113 N CA 0.970 53.909 53.050 -0.186 0.000 0.870 113 N CB -0.347 38.011 38.487 -0.215 0.000 0.979 113 N HN 0.331 nan 8.380 nan 0.000 0.431 114 H N 0.679 119.481 119.070 -0.448 0.000 2.389 114 H HA 0.055 4.610 4.556 -0.000 0.000 0.299 114 H C 2.129 177.053 175.328 -0.673 0.000 1.081 114 H CA 0.687 56.254 56.048 -0.802 0.000 1.345 114 H CB -0.009 28.634 29.762 -1.866 0.000 1.393 114 H HN 0.165 nan 8.280 nan 0.000 0.520 115 L N -0.307 120.729 121.223 -0.313 0.000 2.027 115 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 115 L C 2.708 179.647 176.870 0.115 0.000 1.074 115 L CA 0.608 55.464 54.840 0.027 0.000 0.745 115 L CB -0.412 41.715 42.059 0.113 0.000 0.898 115 L HN 0.049 nan 8.230 nan 0.000 0.433 116 V N 0.278 120.215 119.914 0.038 0.000 2.231 116 V HA -0.363 3.756 4.120 -0.000 0.000 0.250 116 V C 2.466 178.618 176.094 0.096 0.000 1.058 116 V CA 2.253 64.587 62.300 0.057 0.000 1.022 116 V CB -0.404 31.424 31.823 0.009 0.000 0.640 116 V HN 0.362 nan 8.190 nan 0.000 0.445 117 L N -0.652 120.611 121.223 0.067 0.000 1.989 117 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 117 L C 2.247 179.275 176.870 0.264 0.000 1.071 117 L CA 2.458 57.370 54.840 0.121 0.000 0.749 117 L CB -1.167 40.940 42.059 0.079 0.000 0.890 117 L HN 0.496 nan 8.230 nan 0.000 0.431 118 Y N 0.459 120.898 120.300 0.231 0.000 2.181 118 Y HA -0.331 4.219 4.550 -0.001 0.000 0.284 118 Y C 2.670 178.776 175.900 0.344 0.000 1.179 118 Y CA 2.229 60.554 58.100 0.375 0.000 1.179 118 Y CB -0.132 38.571 38.460 0.404 0.000 0.973 118 Y HN 0.225 nan 8.280 nan 0.000 0.519 119 R N -0.474 120.231 120.500 0.341 0.000 2.090 119 R HA -0.151 4.189 4.340 -0.000 0.000 0.228 119 R C 2.307 178.681 176.300 0.123 0.000 1.110 119 R CA 1.597 57.822 56.100 0.208 0.000 0.973 119 R CB -0.331 30.080 30.300 0.184 0.000 0.869 119 R HN 0.487 nan 8.270 nan 0.000 0.440 120 Q N 0.566 120.436 119.800 0.117 0.000 2.061 120 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 120 Q C 2.181 178.205 176.000 0.041 0.000 0.984 120 Q CA 1.413 57.257 55.803 0.067 0.000 0.846 120 Q CB -0.136 28.639 28.738 0.062 0.000 0.902 120 Q HN 0.351 nan 8.270 nan 0.000 0.421 121 L N 0.231 121.494 121.223 0.065 0.000 2.109 121 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 121 L C 2.316 179.105 176.870 -0.135 0.000 1.086 121 L CA 0.492 55.307 54.840 -0.043 0.000 0.760 121 L CB -0.448 41.601 42.059 -0.016 0.000 0.910 121 L HN 0.319 nan 8.230 nan 0.000 0.437 122 L N 0.555 121.801 121.223 0.039 0.000 2.362 122 L HA -0.143 4.197 4.340 -0.000 0.000 0.219 122 L C 2.146 179.004 176.870 -0.021 0.000 1.134 122 L CA 1.273 56.131 54.840 0.030 0.000 0.807 122 L CB -0.057 42.035 42.059 0.055 0.000 0.927 122 L HN 0.318 nan 8.230 nan 0.000 0.447 123 L N -0.670 120.545 121.223 -0.013 0.000 2.529 123 L HA 0.206 4.545 4.340 -0.000 0.000 0.223 123 L C 2.252 179.107 176.870 -0.025 0.000 1.113 123 L CA 1.354 56.184 54.840 -0.018 0.000 0.861 123 L CB -0.379 41.678 42.059 -0.003 0.000 1.012 123 L HN 0.087 nan 8.230 nan 0.000 0.461 124 A N -0.325 122.466 122.820 -0.048 0.000 1.930 124 A HA 0.165 4.485 4.320 -0.000 0.000 0.215 124 A C 2.246 179.792 177.584 -0.063 0.000 1.176 124 A CA 0.935 52.938 52.037 -0.056 0.000 0.632 124 A CB -1.275 17.679 19.000 -0.078 0.000 0.819 124 A HN 0.445 nan 8.150 nan 0.000 0.445 125 G N 0.104 108.842 108.800 -0.103 0.000 2.421 125 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 125 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 125 G C 1.453 176.359 174.900 0.010 0.000 1.171 125 G CA 1.054 46.104 45.100 -0.084 0.000 0.775 125 G HN 0.416 nan 8.290 nan 0.000 0.543 126 L N -0.382 120.847 121.223 0.010 0.000 2.376 126 L HA 0.007 4.347 4.340 -0.000 0.000 0.219 126 L C 2.896 179.850 176.870 0.141 0.000 1.133 126 L CA 0.647 55.535 54.840 0.080 0.000 0.816 126 L CB -0.217 41.824 42.059 -0.030 0.000 0.933 126 L HN 0.307 nan 8.230 nan 0.000 0.449 127 Q N -0.395 119.441 119.800 0.061 0.000 2.084 127 Q HA -0.074 4.266 4.340 -0.000 0.000 0.194 127 Q C 2.023 178.043 176.000 0.034 0.000 0.969 127 Q CA 0.951 56.780 55.803 0.045 0.000 0.829 127 Q CB 0.205 28.951 28.738 0.013 0.000 0.904 127 Q HN 0.388 nan 8.270 nan 0.000 0.464 128 N N 1.068 119.778 118.700 0.016 0.000 2.025 128 N HA -0.166 4.574 4.740 -0.000 0.000 0.194 128 N C 1.450 176.965 175.510 0.008 0.000 1.044 128 N CA 1.614 54.665 53.050 0.001 0.000 0.851 128 N CB -0.628 37.850 38.487 -0.015 0.000 1.036 128 N HN 0.257 nan 8.380 nan 0.000 0.422 129 A N -0.107 122.739 122.820 0.044 0.000 2.272 129 A HA 0.057 4.376 4.320 -0.000 0.000 0.213 129 A C 2.047 179.599 177.584 -0.053 0.000 1.183 129 A CA 1.655 53.721 52.037 0.048 0.000 0.719 129 A CB -0.899 18.194 19.000 0.155 0.000 0.771 129 A HN 0.410 nan 8.150 nan 0.000 0.484 130 G N -0.877 107.885 108.800 -0.063 0.000 2.641 130 G HA2 0.324 4.284 3.960 -0.000 0.000 0.211 130 G HA3 0.324 4.284 3.960 -0.000 0.000 0.211 130 G C 1.159 175.992 174.900 -0.111 0.000 1.190 130 G CA 0.696 45.689 45.100 -0.178 0.000 0.842 130 G HN 0.848 nan 8.290 nan 0.000 0.585 131 R N 0.000 120.465 120.500 -0.058 0.000 2.786 131 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 131 R CA 0.000 56.074 56.100 -0.044 0.000 0.921 131 R CB 0.000 30.284 30.300 -0.027 0.000 0.687 131 R HN 0.000 nan 8.270 nan 0.000 0.535