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 3lza_1_C DATA FIRST_RESID 22 DATA SEQUENCE RPIEQQLALG YIKALTEHDY QTLSKYYNRD SVFYDKTADT KYIGTRSIIA DATA SEQUENCE FLQRSHEGVL EFDFNIEHXF NTGPLVVXIG NYHLRGPGEQ FGKPGKIIDI DATA SEQUENCE AIPGVTTLKF DPNTQRLTEQ VDLXDYQTXS DQLQSQ 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 22 R HA 0.000 nan 4.340 nan 0.000 0.208 22 R C 0.000 176.293 176.300 -0.012 0.000 0.893 22 R CA 0.000 56.093 56.100 -0.012 0.000 0.921 22 R CB 0.000 30.288 30.300 -0.020 0.000 0.687 23 P HA 0.080 nan 4.420 nan 0.000 0.270 23 P C 0.617 177.906 177.300 -0.018 0.000 1.223 23 P CA -0.388 62.709 63.100 -0.006 0.000 0.785 23 P CB 0.693 32.396 31.700 0.005 0.000 0.923 24 I N 1.224 121.781 120.570 -0.022 0.000 2.454 24 I HA -0.223 3.947 4.170 0.000 0.000 0.254 24 I C 1.803 177.881 176.117 -0.065 0.000 1.156 24 I CA 1.616 62.892 61.300 -0.040 0.000 1.433 24 I CB -0.642 37.337 38.000 -0.036 0.000 1.082 24 I HN 0.317 nan 8.210 nan 0.000 0.432 25 E N -0.166 120.007 120.200 -0.045 0.000 2.150 25 E HA -0.210 4.140 4.350 0.000 0.000 0.193 25 E C 2.144 178.712 176.600 -0.054 0.000 0.985 25 E CA 1.108 57.477 56.400 -0.050 0.000 0.814 25 E CB -0.219 29.490 29.700 0.015 0.000 0.752 25 E HN 0.595 nan 8.360 nan 0.000 0.466 26 Q N 0.106 119.885 119.800 -0.035 0.000 2.187 26 Q HA -0.073 4.267 4.340 0.000 0.000 0.199 26 Q C 2.105 178.076 176.000 -0.049 0.000 0.957 26 Q CA 0.766 56.550 55.803 -0.033 0.000 0.857 26 Q CB 0.039 28.758 28.738 -0.030 0.000 0.929 26 Q HN 0.381 nan 8.270 nan 0.000 0.453 27 Q N 0.360 120.126 119.800 -0.057 0.000 2.084 27 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 27 Q C 2.098 178.054 176.000 -0.073 0.000 0.978 27 Q CA 0.929 56.699 55.803 -0.054 0.000 0.844 27 Q CB -0.111 28.599 28.738 -0.046 0.000 0.898 27 Q HN 0.227 nan 8.270 nan 0.000 0.426 28 L N 0.665 121.797 121.223 -0.151 0.000 2.046 28 L HA -0.145 4.195 4.340 0.000 0.000 0.208 28 L C 2.139 178.850 176.870 -0.265 0.000 1.077 28 L CA 2.093 56.763 54.840 -0.284 0.000 0.747 28 L CB -0.768 40.902 42.059 -0.648 0.000 0.896 28 L HN 0.127 nan 8.230 nan 0.000 0.432 29 A N -0.806 121.938 122.820 -0.127 0.000 1.898 29 A HA -0.117 4.203 4.320 0.000 0.000 0.216 29 A C 2.244 179.877 177.584 0.082 0.000 1.181 29 A CA 1.675 53.778 52.037 0.110 0.000 0.620 29 A CB -0.790 18.305 19.000 0.158 0.000 0.819 29 A HN 0.472 nan 8.150 nan 0.000 0.442 30 L N -0.640 120.591 121.223 0.012 0.000 2.083 30 L HA -0.141 4.199 4.340 0.000 0.000 0.209 30 L C 2.804 179.673 176.870 -0.002 0.000 1.083 30 L CA 1.080 55.918 54.840 -0.003 0.000 0.752 30 L CB -0.880 41.157 42.059 -0.035 0.000 0.899 30 L HN 0.510 nan 8.230 nan 0.000 0.433 31 G N -0.866 107.937 108.800 0.005 0.000 2.418 31 G HA2 -0.350 3.610 3.960 0.000 0.000 0.217 31 G HA3 -0.350 3.610 3.960 0.000 0.000 0.217 31 G C 1.488 176.363 174.900 -0.040 0.000 1.158 31 G CA 0.794 45.922 45.100 0.047 0.000 0.771 31 G HN 0.361 nan 8.290 nan 0.000 0.545 32 Y N 0.967 121.020 120.300 -0.411 0.000 2.145 32 Y HA -0.099 4.451 4.550 0.000 0.000 0.286 32 Y C 2.587 178.363 175.900 -0.207 0.000 1.145 32 Y CA 1.250 58.978 58.100 -0.621 0.000 1.148 32 Y CB -0.019 38.102 38.460 -0.566 0.000 0.981 32 Y HN 0.087 nan 8.280 nan 0.000 0.507 33 I N 0.968 121.574 120.570 0.060 0.000 2.394 33 I HA -0.259 3.911 4.170 0.000 0.000 0.251 33 I C 2.338 178.408 176.117 -0.078 0.000 1.136 33 I CA 1.519 62.842 61.300 0.037 0.000 1.425 33 I CB -1.245 36.845 38.000 0.150 0.000 1.079 33 I HN 0.310 nan 8.210 nan 0.000 0.425 34 K N 1.269 121.622 120.400 -0.078 0.000 2.026 34 K HA -0.164 4.156 4.320 0.000 0.000 0.208 34 K C 2.239 178.772 176.600 -0.112 0.000 1.048 34 K CA 1.691 57.923 56.287 -0.091 0.000 0.929 34 K CB -0.037 32.429 32.500 -0.058 0.000 0.713 34 K HN 0.212 nan 8.250 nan 0.000 0.439 35 A N 1.244 123.998 122.820 -0.110 0.000 1.883 35 A HA -0.169 4.151 4.320 0.000 0.000 0.217 35 A C 2.092 179.599 177.584 -0.129 0.000 1.186 35 A CA 1.608 53.585 52.037 -0.100 0.000 0.624 35 A CB -0.709 18.268 19.000 -0.039 0.000 0.822 35 A HN 0.424 nan 8.150 nan 0.000 0.444 36 L N 0.353 121.470 121.223 -0.177 0.000 2.017 36 L HA -0.117 4.223 4.340 0.000 0.000 0.208 36 L C 2.644 179.521 176.870 0.010 0.000 1.073 36 L CA 2.991 57.817 54.840 -0.023 0.000 0.745 36 L CB -0.857 41.178 42.059 -0.039 0.000 0.894 36 L HN 0.534 nan 8.230 nan 0.000 0.432 37 T N -4.358 110.107 114.554 -0.148 0.000 3.055 37 T HA -0.042 4.308 4.350 0.000 0.000 0.265 37 T C 1.464 175.919 174.700 -0.408 0.000 1.111 37 T CA 0.969 62.861 62.100 -0.345 0.000 1.118 37 T CB -0.419 68.140 68.868 -0.514 0.000 0.909 37 T HN 0.499 nan 8.240 nan 0.000 0.501 38 E N 0.336 120.356 120.200 -0.300 0.000 2.479 38 E HA 0.095 4.445 4.350 0.000 0.000 0.193 38 E C -0.396 176.059 176.600 -0.241 0.000 1.049 38 E CA -0.195 56.054 56.400 -0.250 0.000 0.870 38 E CB -0.212 29.404 29.700 -0.140 0.000 0.944 38 E HN 0.766 nan 8.360 nan 0.000 0.492 39 H N 0.194 119.183 119.070 -0.136 0.000 2.791 39 H HA -0.168 4.388 4.556 -0.000 0.000 0.302 39 H C -0.359 174.502 175.328 -0.779 0.000 1.198 39 H CA 0.573 56.370 56.048 -0.418 0.000 1.145 39 H CB -1.150 28.465 29.762 -0.245 0.000 1.385 39 H HN 0.061 nan 8.280 nan 0.000 0.409 40 D N 0.163 120.319 120.400 -0.406 0.000 2.479 40 D HA 0.064 4.704 4.640 0.000 0.000 0.218 40 D C 0.403 176.584 176.300 -0.198 0.000 1.131 40 D CA -0.400 53.431 54.000 -0.282 0.000 0.916 40 D CB 0.070 40.800 40.800 -0.115 0.000 1.022 40 D HN 0.301 nan 8.370 nan 0.000 0.515 41 Y N 1.731 122.091 120.300 0.099 0.000 2.519 41 Y HA -0.012 4.538 4.550 0.000 0.000 0.287 41 Y C 2.094 178.049 175.900 0.092 0.000 1.128 41 Y CA 0.265 58.431 58.100 0.110 0.000 1.282 41 Y CB -0.205 38.327 38.460 0.120 0.000 1.027 41 Y HN 0.340 nan 8.280 nan 0.000 0.551 42 Q N -0.233 119.664 119.800 0.161 0.000 2.016 42 Q HA -0.108 4.232 4.340 0.000 0.000 0.200 42 Q C 2.290 178.343 176.000 0.088 0.000 0.978 42 Q CA 2.345 58.215 55.803 0.112 0.000 0.833 42 Q CB -0.859 27.919 28.738 0.068 0.000 0.895 42 Q HN 0.303 nan 8.270 nan 0.000 0.427 43 T N 1.005 115.600 114.554 0.067 0.000 2.746 43 T HA -0.117 4.233 4.350 0.000 0.000 0.267 43 T C 1.670 176.446 174.700 0.126 0.000 1.039 43 T CA 0.981 63.121 62.100 0.067 0.000 1.142 43 T CB -0.332 68.575 68.868 0.066 0.000 0.866 43 T HN 0.073 nan 8.240 nan 0.000 0.444 44 L N 1.943 123.248 121.223 0.137 0.000 2.083 44 L HA -0.078 4.262 4.340 0.000 0.000 0.209 44 L C 2.639 179.519 176.870 0.017 0.000 1.083 44 L CA 1.869 56.771 54.840 0.104 0.000 0.752 44 L CB -0.813 41.304 42.059 0.096 0.000 0.899 44 L HN 0.355 nan 8.230 nan 0.000 0.433 45 S N -1.457 114.317 115.700 0.124 0.000 2.419 45 S HA -0.177 4.293 4.470 0.000 0.000 0.233 45 S C 1.890 176.548 174.600 0.098 0.000 1.016 45 S CA 0.712 59.015 58.200 0.171 0.000 0.974 45 S CB -0.548 62.774 63.200 0.204 0.000 0.786 45 S HN 0.380 nan 8.310 nan 0.000 0.492 46 K N 0.646 121.055 120.400 0.014 0.000 2.360 46 K HA -0.022 4.298 4.320 0.000 0.000 0.201 46 K C 1.109 177.623 176.600 -0.143 0.000 1.046 46 K CA 1.044 57.275 56.287 -0.093 0.000 0.945 46 K CB -0.584 31.783 32.500 -0.222 0.000 0.750 46 K HN 0.655 nan 8.250 nan 0.000 0.464 47 Y N -0.933 119.363 120.300 -0.007 0.000 2.500 47 Y HA 0.038 4.588 4.550 0.000 0.000 0.270 47 Y C 0.323 176.304 175.900 0.135 0.000 1.134 47 Y CA -0.164 57.980 58.100 0.073 0.000 1.293 47 Y CB 0.188 38.755 38.460 0.177 0.000 1.063 47 Y HN -0.119 nan 8.280 nan 0.000 0.534 48 Y N 0.925 121.427 120.300 0.337 0.000 2.419 48 Y HA 0.336 4.886 4.550 0.000 0.000 0.328 48 Y C 0.196 176.195 175.900 0.165 0.000 1.162 48 Y CA -2.325 55.925 58.100 0.249 0.000 1.174 48 Y CB 0.715 39.322 38.460 0.246 0.000 1.228 48 Y HN 0.064 nan 8.280 nan 0.000 0.473 49 N N -0.457 118.430 118.700 0.312 0.000 2.890 49 N HA 0.356 5.096 4.740 0.000 0.000 0.317 49 N C 0.443 176.037 175.510 0.138 0.000 1.355 49 N CA -1.080 52.082 53.050 0.187 0.000 0.803 49 N CB 0.648 39.218 38.487 0.138 0.000 1.465 49 N HN 0.468 nan 8.380 nan 0.000 0.591 50 R N -1.592 118.963 120.500 0.092 0.000 2.193 50 R HA 0.011 4.351 4.340 0.000 0.000 0.229 50 R C -0.483 175.841 176.300 0.039 0.000 1.110 50 R CA 1.488 57.624 56.100 0.059 0.000 0.988 50 R CB -0.437 29.890 30.300 0.045 0.000 0.871 50 R HN 0.505 nan 8.270 nan 0.000 0.458 51 D N 0.362 120.790 120.400 0.045 0.000 2.433 51 D HA 0.112 4.752 4.640 0.000 0.000 0.211 51 D C -0.346 175.970 176.300 0.026 0.000 1.114 51 D CA 0.036 54.052 54.000 0.025 0.000 0.837 51 D CB 0.651 41.465 40.800 0.023 0.000 0.984 51 D HN 0.072 nan 8.370 nan 0.000 0.505 52 S N 0.612 116.342 115.700 0.050 0.000 2.552 52 S HA 0.135 4.605 4.470 0.000 0.000 0.289 52 S C 0.327 174.934 174.600 0.012 0.000 1.304 52 S CA -0.127 58.104 58.200 0.052 0.000 1.063 52 S CB 1.430 64.703 63.200 0.121 0.000 0.848 52 S HN -0.071 nan 8.310 nan 0.000 0.499 53 V N 4.834 124.760 119.914 0.020 0.000 2.417 53 V HA 0.423 4.543 4.120 0.000 0.000 0.291 53 V C -0.691 175.481 176.094 0.131 0.000 1.024 53 V CA -0.667 61.660 62.300 0.044 0.000 0.861 53 V CB 1.115 32.934 31.823 -0.007 0.000 0.985 53 V HN 0.765 nan 8.190 nan 0.000 0.436 54 F N 6.586 126.563 119.950 0.044 0.000 2.347 54 F HA 0.572 5.099 4.527 -0.000 0.000 0.366 54 F C -1.053 174.848 175.800 0.169 0.000 1.107 54 F CA -1.542 56.533 58.000 0.125 0.000 1.058 54 F CB 0.980 40.071 39.000 0.151 0.000 1.236 54 F HN 0.509 nan 8.300 nan 0.000 0.456 55 Y N 6.140 126.671 120.300 0.384 0.000 2.338 55 Y HA 0.327 4.877 4.550 0.000 0.000 0.328 55 Y C -0.948 175.083 175.900 0.219 0.000 0.965 55 Y CA -1.701 56.512 58.100 0.189 0.000 1.208 55 Y CB 0.699 39.200 38.460 0.067 0.000 1.132 55 Y HN 0.514 nan 8.280 nan 0.000 0.469 56 D N 5.963 126.449 120.400 0.143 0.000 2.428 56 D HA 0.127 4.767 4.640 0.000 0.000 0.221 56 D C 0.703 176.823 176.300 -0.301 0.000 1.123 56 D CA -0.015 53.976 54.000 -0.016 0.000 0.869 56 D CB 1.132 42.012 40.800 0.133 0.000 1.032 56 D HN 0.798 nan 8.370 nan 0.000 0.506 57 K N 1.792 121.845 120.400 -0.579 0.000 2.103 57 K HA -0.112 4.208 4.320 0.000 0.000 0.204 57 K C 1.652 178.139 176.600 -0.189 0.000 1.052 57 K CA 1.399 57.284 56.287 -0.671 0.000 0.945 57 K CB 0.217 32.380 32.500 -0.561 0.000 0.722 57 K HN 0.416 nan 8.250 nan 0.000 0.443 58 T N -1.158 113.360 114.554 -0.061 0.000 2.788 58 T HA -0.065 4.285 4.350 0.000 0.000 0.268 58 T C 1.922 176.702 174.700 0.132 0.000 1.044 58 T CA 1.084 63.236 62.100 0.085 0.000 1.139 58 T CB -0.253 68.706 68.868 0.153 0.000 0.867 58 T HN 0.227 nan 8.240 nan 0.000 0.454 59 A N 1.025 123.919 122.820 0.123 0.000 2.195 59 A HA 0.303 4.623 4.320 0.000 0.000 0.210 59 A C 1.009 178.586 177.584 -0.013 0.000 1.165 59 A CA 0.640 52.675 52.037 -0.002 0.000 0.806 59 A CB -0.559 18.413 19.000 -0.048 0.000 0.847 59 A HN 0.479 nan 8.150 nan 0.000 0.482 60 D N 0.421 120.836 120.400 0.024 0.000 2.697 60 D HA -0.132 4.508 4.640 0.000 0.000 0.238 60 D C 0.162 176.488 176.300 0.043 0.000 1.152 60 D CA 1.293 55.348 54.000 0.092 0.000 0.666 60 D CB -1.447 39.388 40.800 0.059 0.000 1.037 60 D HN 0.639 nan 8.370 nan 0.000 0.423 61 T N -1.462 113.112 114.554 0.034 0.000 2.887 61 T HA 0.681 5.031 4.350 0.000 0.000 0.288 61 T C -0.339 174.308 174.700 -0.087 0.000 1.021 61 T CA -1.009 61.019 62.100 -0.120 0.000 1.000 61 T CB 2.557 71.310 68.868 -0.192 0.000 1.034 61 T HN 0.311 nan 8.240 nan 0.000 0.467 62 K N 1.883 122.054 120.400 -0.381 0.000 2.535 62 K HA 0.487 4.807 4.320 0.000 0.000 0.250 62 K C -1.982 174.213 176.600 -0.675 0.000 0.948 62 K CA -0.804 55.297 56.287 -0.310 0.000 0.796 62 K CB 1.606 33.973 32.500 -0.221 0.000 1.216 62 K HN 0.721 nan 8.250 nan 0.000 0.432 63 Y N 3.679 123.870 120.300 -0.182 0.000 2.393 63 Y HA 0.517 5.067 4.550 0.000 0.000 0.341 63 Y C -0.114 175.732 175.900 -0.091 0.000 0.988 63 Y CA -0.805 57.175 58.100 -0.201 0.000 1.078 63 Y CB 1.658 39.912 38.460 -0.343 0.000 1.203 63 Y HN 0.319 nan 8.280 nan 0.000 0.453 64 I N 2.955 123.540 120.570 0.026 0.000 2.468 64 I HA 0.687 4.857 4.170 0.000 0.000 0.285 64 I C 0.073 176.183 176.117 -0.013 0.000 1.039 64 I CA -0.598 60.695 61.300 -0.011 0.000 1.074 64 I CB 1.622 39.595 38.000 -0.046 0.000 1.228 64 I HN 0.792 nan 8.210 nan 0.000 0.436 65 G N 3.357 112.136 108.800 -0.036 0.000 2.663 65 G HA2 -0.170 3.790 3.960 0.000 0.000 0.686 65 G HA3 -0.170 3.790 3.960 0.000 0.000 0.686 65 G C 0.251 175.121 174.900 -0.051 0.000 1.246 65 G CA -0.324 44.765 45.100 -0.019 0.000 0.795 65 G HN 0.577 nan 8.290 nan 0.000 0.627 66 T N 1.089 115.664 114.554 0.036 0.000 2.592 66 T HA -0.225 4.125 4.350 0.000 0.000 0.267 66 T C 2.499 177.246 174.700 0.079 0.000 1.060 66 T CA 2.153 64.329 62.100 0.126 0.000 1.167 66 T CB -0.180 68.821 68.868 0.221 0.000 0.863 66 T HN 0.655 nan 8.240 nan 0.000 0.431 67 R N 0.486 121.021 120.500 0.059 0.000 2.075 67 R HA -0.001 4.339 4.340 0.000 0.000 0.232 67 R C 3.002 179.311 176.300 0.016 0.000 1.126 67 R CA 1.378 57.502 56.100 0.040 0.000 0.963 67 R CB -0.498 29.823 30.300 0.035 0.000 0.858 67 R HN 0.303 nan 8.270 nan 0.000 0.435 68 S N 0.619 116.330 115.700 0.018 0.000 2.383 68 S HA -0.045 4.425 4.470 0.000 0.000 0.227 68 S C 1.915 176.528 174.600 0.021 0.000 1.026 68 S CA 0.840 59.063 58.200 0.039 0.000 0.981 68 S CB -0.033 63.211 63.200 0.073 0.000 0.818 68 S HN 0.180 nan 8.310 nan 0.000 0.472 69 I N 1.370 121.929 120.570 -0.018 0.000 2.193 69 I HA -0.116 4.054 4.170 0.000 0.000 0.240 69 I C 2.107 178.215 176.117 -0.016 0.000 1.084 69 I CA 0.791 62.070 61.300 -0.035 0.000 1.365 69 I CB -0.306 37.580 38.000 -0.190 0.000 1.064 69 I HN 0.299 nan 8.210 nan 0.000 0.410 70 I N 1.284 121.854 120.570 0.000 0.000 2.208 70 I HA -0.277 3.893 4.170 0.000 0.000 0.245 70 I C 2.879 178.842 176.117 -0.257 0.000 1.097 70 I CA 1.733 62.970 61.300 -0.106 0.000 1.363 70 I CB -1.543 36.451 38.000 -0.010 0.000 1.051 70 I HN 0.193 nan 8.210 nan 0.000 0.413 71 A N 0.835 123.568 122.820 -0.146 0.000 1.902 71 A HA -0.271 4.049 4.320 0.000 0.000 0.217 71 A C 2.298 179.761 177.584 -0.203 0.000 1.181 71 A CA 1.555 53.502 52.037 -0.150 0.000 0.623 71 A CB -1.124 17.835 19.000 -0.068 0.000 0.818 71 A HN 0.401 nan 8.150 nan 0.000 0.443 72 F N 0.706 120.426 119.950 -0.384 0.000 2.095 72 F HA -0.162 4.366 4.527 0.000 0.000 0.298 72 F C 1.848 177.336 175.800 -0.521 0.000 1.104 72 F CA 1.788 59.437 58.000 -0.585 0.000 1.232 72 F CB -0.366 37.933 39.000 -1.167 0.000 0.987 72 F HN 0.142 nan 8.300 nan 0.000 0.475 73 L N -0.141 120.698 121.223 -0.641 0.000 2.093 73 L HA -0.224 4.116 4.340 0.000 0.000 0.208 73 L C 2.534 179.119 176.870 -0.475 0.000 1.085 73 L CA 1.412 55.893 54.840 -0.599 0.000 0.755 73 L CB -0.825 41.141 42.059 -0.155 0.000 0.904 73 L HN 0.245 nan 8.230 nan 0.000 0.435 74 Q N -0.343 119.166 119.800 -0.485 0.000 2.050 74 Q HA -0.197 4.143 4.340 0.000 0.000 0.202 74 Q C 2.389 178.240 176.000 -0.247 0.000 0.980 74 Q CA 1.438 57.061 55.803 -0.300 0.000 0.840 74 Q CB -0.087 28.492 28.738 -0.266 0.000 0.898 74 Q HN 0.426 nan 8.270 nan 0.000 0.424 75 R N -0.135 120.176 120.500 -0.315 0.000 2.073 75 R HA -0.066 4.274 4.340 0.000 0.000 0.234 75 R C 2.502 178.583 176.300 -0.365 0.000 1.134 75 R CA 1.471 57.403 56.100 -0.282 0.000 0.952 75 R CB -0.173 29.974 30.300 -0.255 0.000 0.850 75 R HN 0.099 nan 8.270 nan 0.000 0.433 76 S N -0.307 115.027 115.700 -0.609 0.000 2.368 76 S HA -0.074 4.396 4.470 0.000 0.000 0.224 76 S C 1.280 175.554 174.600 -0.543 0.000 1.029 76 S CA 0.913 58.667 58.200 -0.742 0.000 0.988 76 S CB -0.070 62.350 63.200 -1.300 0.000 0.838 76 S HN 0.382 nan 8.310 nan 0.000 0.462 77 H N 0.606 119.485 119.070 -0.318 0.000 2.517 77 H HA 0.333 4.889 4.556 0.000 0.000 0.282 77 H C 0.271 175.444 175.328 -0.260 0.000 1.023 77 H CA -0.164 55.719 56.048 -0.275 0.000 1.169 77 H CB -0.323 29.288 29.762 -0.251 0.000 1.454 77 H HN 0.312 nan 8.280 nan 0.000 0.556 78 E N 0.550 120.688 120.200 -0.104 0.000 2.417 78 E HA 0.190 4.540 4.350 0.000 0.000 0.261 78 E C 1.266 177.831 176.600 -0.058 0.000 1.000 78 E CA 0.898 57.249 56.400 -0.082 0.000 0.919 78 E CB -0.026 29.627 29.700 -0.079 0.000 0.955 78 E HN 0.536 nan 8.360 nan 0.000 0.455 79 G N 2.955 111.723 108.800 -0.055 0.000 2.184 79 G HA2 -0.275 3.685 3.960 0.000 0.000 0.264 79 G HA3 -0.275 3.685 3.960 0.000 0.000 0.264 79 G C 0.239 175.135 174.900 -0.007 0.000 0.975 79 G CA 0.159 45.245 45.100 -0.023 0.000 0.642 79 G HN 0.583 nan 8.290 nan 0.000 0.536 80 V N 1.265 121.161 119.914 -0.030 0.000 2.673 80 V HA 0.248 4.368 4.120 0.000 0.000 0.303 80 V C 1.900 178.035 176.094 0.069 0.000 1.046 80 V CA 0.866 63.186 62.300 0.034 0.000 1.126 80 V CB 1.344 33.191 31.823 0.040 0.000 0.934 80 V HN 0.308 nan 8.190 nan 0.000 0.487 81 L N 3.134 124.415 121.223 0.097 0.000 2.221 81 L HA 0.298 4.638 4.340 0.000 0.000 0.202 81 L C 0.662 177.612 176.870 0.132 0.000 1.074 81 L CA 0.770 55.666 54.840 0.093 0.000 0.795 81 L CB 0.087 42.184 42.059 0.064 0.000 0.960 81 L HN 0.637 nan 8.230 nan 0.000 0.458 82 E N -0.485 119.813 120.200 0.163 0.000 2.292 82 E HA 0.450 4.800 4.350 0.000 0.000 0.272 82 E C -1.678 175.106 176.600 0.308 0.000 0.881 82 E CA -0.544 55.970 56.400 0.190 0.000 0.754 82 E CB 2.931 32.716 29.700 0.142 0.000 1.201 82 E HN -0.149 nan 8.360 nan 0.000 0.425 83 F N 2.697 122.688 119.950 0.069 0.000 2.689 83 F HA 0.378 4.905 4.527 -0.000 0.000 0.332 83 F C -1.776 174.033 175.800 0.014 0.000 1.209 83 F CA -0.643 57.387 58.000 0.050 0.000 1.028 83 F CB 1.219 40.185 39.000 -0.058 0.000 1.291 83 F HN 0.356 nan 8.300 nan 0.000 0.500 84 D N 4.814 125.094 120.400 -0.200 0.000 2.661 84 D HA 0.267 4.907 4.640 0.000 0.000 0.228 84 D C -1.849 174.281 176.300 -0.284 0.000 1.183 84 D CA -0.227 53.588 54.000 -0.308 0.000 0.844 84 D CB 2.822 43.523 40.800 -0.166 0.000 1.555 84 D HN 0.300 nan 8.370 nan 0.000 0.453 85 F N 1.936 121.549 119.950 -0.562 0.000 2.332 85 F HA 0.344 4.871 4.527 0.000 0.000 0.368 85 F C -0.419 175.099 175.800 -0.470 0.000 1.110 85 F CA -1.118 56.447 58.000 -0.724 0.000 1.087 85 F CB 0.098 38.561 39.000 -0.896 0.000 1.235 85 F HN 0.083 nan 8.300 nan 0.000 0.470 86 N N 7.133 125.607 118.700 -0.376 0.000 2.439 86 N HA 0.322 5.062 4.740 0.000 0.000 0.243 86 N C -0.739 174.451 175.510 -0.534 0.000 1.088 86 N CA -0.128 52.672 53.050 -0.416 0.000 0.940 86 N CB 0.755 39.023 38.487 -0.366 0.000 1.180 86 N HN 0.448 nan 8.380 nan 0.000 0.505 87 I N 2.000 122.204 120.570 -0.611 0.000 2.312 87 I HA 0.054 4.224 4.170 0.000 0.000 0.291 87 I C 1.191 177.133 176.117 -0.291 0.000 1.031 87 I CA -0.189 60.737 61.300 -0.623 0.000 1.293 87 I CB 1.082 38.682 38.000 -0.667 0.000 1.403 87 I HN 0.569 nan 8.210 nan 0.000 0.484 88 E N 3.513 123.602 120.200 -0.184 0.000 2.076 88 E HA -0.073 4.277 4.350 0.000 0.000 0.190 88 E C 0.092 176.725 176.600 0.055 0.000 0.979 88 E CA 0.926 57.296 56.400 -0.051 0.000 0.807 88 E CB 0.255 29.952 29.700 -0.004 0.000 0.761 88 E HN 0.574 nan 8.360 nan 0.000 0.454 92 N N -0.400 118.408 118.700 0.180 0.000 2.396 92 N HA 0.553 5.293 4.740 0.000 0.000 0.275 92 N C -2.033 173.567 175.510 0.149 0.000 1.218 92 N CA -0.629 52.478 53.050 0.094 0.000 0.812 92 N CB 2.466 40.978 38.487 0.042 0.000 1.592 92 N HN 0.722 nan 8.380 nan 0.000 0.480 93 T N 0.802 115.425 114.554 0.115 0.000 2.791 93 T HA 0.600 4.950 4.350 0.000 0.000 0.288 93 T C 0.901 175.640 174.700 0.065 0.000 0.999 93 T CA 0.417 62.572 62.100 0.091 0.000 0.952 93 T CB 0.779 69.704 68.868 0.095 0.000 0.938 93 T HN 0.940 nan 8.240 nan 0.000 0.444 94 G N 5.718 114.551 108.800 0.056 0.000 2.627 94 G HA2 -0.227 3.733 3.960 0.000 0.000 0.312 94 G HA3 -0.227 3.733 3.960 0.000 0.000 0.312 94 G C -1.574 173.363 174.900 0.062 0.000 1.299 94 G CA 0.161 45.292 45.100 0.051 0.000 0.989 94 G HN 0.575 nan 8.290 nan 0.000 0.547 95 P HA 0.202 nan 4.420 nan 0.000 0.245 95 P C 0.534 177.903 177.300 0.114 0.000 1.212 95 P CA 0.288 63.459 63.100 0.118 0.000 0.774 95 P CB 0.044 31.820 31.700 0.126 0.000 0.999 96 L N 0.918 122.175 121.223 0.056 0.000 2.260 96 L HA 0.280 4.620 4.340 0.000 0.000 0.289 96 L C -0.611 176.255 176.870 -0.007 0.000 1.057 96 L CA -0.370 54.476 54.840 0.010 0.000 0.811 96 L CB 0.939 43.000 42.059 0.004 0.000 1.184 96 L HN -0.322 nan 8.230 nan 0.000 0.429 97 V N 6.079 125.970 119.914 -0.039 0.000 2.495 97 V HA 0.611 4.731 4.120 0.000 0.000 0.298 97 V C 0.017 175.992 176.094 -0.199 0.000 1.031 97 V CA -0.576 61.671 62.300 -0.088 0.000 0.871 97 V CB 1.753 33.584 31.823 0.013 0.000 0.988 97 V HN 0.605 nan 8.190 nan 0.000 0.432 101 G N 4.572 113.456 108.800 0.140 0.000 2.435 101 G HA2 0.354 4.314 3.960 0.000 0.000 0.228 101 G HA3 0.354 4.314 3.960 0.000 0.000 0.228 101 G C -2.254 172.769 174.900 0.205 0.000 1.198 101 G CA -0.386 44.741 45.100 0.045 0.000 0.948 101 G HN 0.811 nan 8.290 nan 0.000 0.487 102 N N -0.991 117.812 118.700 0.171 0.000 2.277 102 N HA 0.478 5.218 4.740 0.000 0.000 0.286 102 N C -2.054 173.629 175.510 0.288 0.000 1.140 102 N CA -0.593 52.621 53.050 0.272 0.000 0.799 102 N CB 2.446 41.072 38.487 0.232 0.000 1.596 102 N HN 0.388 nan 8.380 nan 0.000 0.473 103 Y N 0.439 120.920 120.300 0.302 0.000 2.328 103 Y HA 0.283 4.833 4.550 0.000 0.000 0.337 103 Y C -0.113 176.007 175.900 0.367 0.000 1.008 103 Y CA -0.308 57.965 58.100 0.288 0.000 1.129 103 Y CB 0.912 39.514 38.460 0.236 0.000 1.185 103 Y HN 0.533 nan 8.280 nan 0.000 0.476 104 H N 3.705 122.931 119.070 0.260 0.000 2.489 104 H HA 0.541 5.097 4.556 -0.000 0.000 0.322 104 H C -1.040 174.462 175.328 0.290 0.000 1.091 104 H CA -0.875 55.289 56.048 0.194 0.000 1.291 104 H CB 1.295 31.118 29.762 0.103 0.000 1.436 104 H HN 0.613 nan 8.280 nan 0.000 0.480 105 L N 3.301 124.698 121.223 0.290 0.000 2.438 105 L HA 0.529 4.869 4.340 0.000 0.000 0.270 105 L C -0.939 175.976 176.870 0.075 0.000 0.972 105 L CA -0.684 54.309 54.840 0.255 0.000 0.831 105 L CB 1.382 43.584 42.059 0.239 0.000 1.273 105 L HN 0.526 nan 8.230 nan 0.000 0.405 106 R N 3.707 124.264 120.500 0.096 0.000 2.480 106 R HA 0.844 5.184 4.340 0.000 0.000 0.306 106 R C -0.819 175.511 176.300 0.049 0.000 0.958 106 R CA -0.131 55.990 56.100 0.035 0.000 0.861 106 R CB 1.902 32.231 30.300 0.047 0.000 1.171 106 R HN 0.857 nan 8.270 nan 0.000 0.445 107 G N 3.423 112.231 108.800 0.014 0.000 2.342 107 G HA2 0.251 4.211 3.960 0.000 0.000 0.297 107 G HA3 0.251 4.211 3.960 0.000 0.000 0.297 107 G C -3.114 171.815 174.900 0.048 0.000 1.313 107 G CA -0.926 44.203 45.100 0.049 0.000 0.830 107 G HN 0.400 nan 8.290 nan 0.000 0.506 108 P HA 0.204 nan 4.420 nan 0.000 0.269 108 P C 0.786 178.171 177.300 0.141 0.000 1.209 108 P CA 0.574 63.718 63.100 0.073 0.000 0.776 108 P CB 1.226 32.958 31.700 0.054 0.000 0.876 109 G N 1.898 110.773 108.800 0.125 0.000 3.042 109 G HA2 -0.078 3.882 3.960 0.000 0.000 0.212 109 G HA3 -0.078 3.882 3.960 0.000 0.000 0.212 109 G C 1.167 176.196 174.900 0.215 0.000 1.166 109 G CA 0.073 45.295 45.100 0.203 0.000 0.767 109 G HN 0.364 nan 8.290 nan 0.000 0.546 110 E N 0.748 121.019 120.200 0.117 0.000 2.033 110 E HA -0.149 4.201 4.350 0.000 0.000 0.199 110 E C 2.558 179.156 176.600 -0.004 0.000 1.011 110 E CA 1.097 57.524 56.400 0.045 0.000 0.815 110 E CB -0.094 29.612 29.700 0.009 0.000 0.755 110 E HN 0.263 nan 8.360 nan 0.000 0.451 111 Q N -0.863 118.891 119.800 -0.076 0.000 2.297 111 Q HA -0.135 4.205 4.340 0.000 0.000 0.208 111 Q C 1.069 176.800 176.000 -0.448 0.000 0.981 111 Q CA 0.965 56.586 55.803 -0.304 0.000 0.876 111 Q CB -0.032 28.416 28.738 -0.483 0.000 0.921 111 Q HN 0.361 nan 8.270 nan 0.000 0.446 112 F N -0.910 119.026 119.950 -0.023 0.000 2.641 112 F HA 0.296 4.823 4.527 0.000 0.000 0.302 112 F C 1.322 177.117 175.800 -0.007 0.000 1.098 112 F CA 0.300 58.294 58.000 -0.010 0.000 1.318 112 F CB 0.633 39.636 39.000 0.006 0.000 1.035 112 F HN 0.066 nan 8.300 nan 0.000 0.551 113 G N 0.688 109.550 108.800 0.104 0.000 2.147 113 G HA2 -0.266 3.694 3.960 0.000 0.000 0.244 113 G HA3 -0.266 3.694 3.960 0.000 0.000 0.244 113 G C 0.282 175.227 174.900 0.075 0.000 1.005 113 G CA -0.256 44.883 45.100 0.065 0.000 0.713 113 G HN 0.193 nan 8.290 nan 0.000 0.515 114 K N 0.845 121.305 120.400 0.100 0.000 2.877 114 K HA 0.287 4.607 4.320 0.000 0.000 0.176 114 K C -2.666 173.971 176.600 0.062 0.000 1.075 114 K CA -1.516 54.815 56.287 0.074 0.000 0.939 114 K CB 2.245 34.791 32.500 0.077 0.000 1.237 114 K HN 0.274 nan 8.250 nan 0.000 0.607 115 P HA 0.000 nan 4.420 nan 0.000 0.268 115 P C 0.830 178.145 177.300 0.025 0.000 1.205 115 P CA 0.782 63.900 63.100 0.030 0.000 0.771 115 P CB 0.794 32.505 31.700 0.017 0.000 0.858 116 G N 1.199 110.013 108.800 0.023 0.000 2.179 116 G HA2 -0.193 3.767 3.960 0.000 0.000 0.260 116 G HA3 -0.193 3.767 3.960 0.000 0.000 0.260 116 G C 0.101 175.012 174.900 0.018 0.000 0.977 116 G CA 0.102 45.212 45.100 0.017 0.000 0.641 116 G HN 0.570 nan 8.290 nan 0.000 0.533 117 K N 0.062 120.476 120.400 0.023 0.000 2.267 117 K HA 0.654 4.974 4.320 0.000 0.000 0.246 117 K C -0.037 176.575 176.600 0.019 0.000 0.954 117 K CA -0.998 55.300 56.287 0.018 0.000 0.824 117 K CB 1.884 34.394 32.500 0.016 0.000 1.167 117 K HN 0.074 nan 8.250 nan 0.000 0.431 118 I N 3.816 124.392 120.570 0.009 0.000 2.325 118 I HA 0.195 4.365 4.170 0.000 0.000 0.291 118 I C 0.462 176.568 176.117 -0.018 0.000 1.019 118 I CA -0.773 60.529 61.300 0.004 0.000 1.302 118 I CB 0.499 38.503 38.000 0.006 0.000 1.401 118 I HN 0.519 nan 8.210 nan 0.000 0.485 119 I N 4.043 124.586 120.570 -0.046 0.000 2.793 119 I HA 0.606 4.776 4.170 0.000 0.000 0.313 119 I C -0.265 175.781 176.117 -0.118 0.000 0.998 119 I CA -0.285 60.955 61.300 -0.100 0.000 1.140 119 I CB 1.539 39.428 38.000 -0.184 0.000 1.327 119 I HN 0.382 nan 8.210 nan 0.000 0.491 120 D N 4.319 124.645 120.400 -0.124 0.000 2.763 120 D HA 0.536 5.176 4.640 0.000 0.000 0.235 120 D C -1.388 174.833 176.300 -0.132 0.000 1.334 120 D CA -0.216 53.718 54.000 -0.110 0.000 0.950 120 D CB 1.884 42.640 40.800 -0.073 0.000 1.433 120 D HN 0.781 nan 8.370 nan 0.000 0.580 121 I N -0.657 119.829 120.570 -0.141 0.000 2.994 121 I HA 0.878 5.048 4.170 0.000 0.000 0.306 121 I C -1.389 174.668 176.117 -0.101 0.000 1.195 121 I CA -1.154 60.076 61.300 -0.117 0.000 1.001 121 I CB 2.402 40.331 38.000 -0.120 0.000 1.244 121 I HN 0.322 nan 8.210 nan 0.000 0.437 122 A N 5.667 128.446 122.820 -0.068 0.000 2.522 122 A HA 0.736 5.056 4.320 0.000 0.000 0.285 122 A C -1.099 176.547 177.584 0.104 0.000 1.198 122 A CA -0.365 51.669 52.037 -0.004 0.000 0.742 122 A CB 0.689 19.599 19.000 -0.150 0.000 1.176 122 A HN 0.493 nan 8.150 nan 0.000 0.444 123 I N 3.510 124.193 120.570 0.187 0.000 2.330 123 I HA 0.357 4.527 4.170 0.000 0.000 0.289 123 I C -2.501 173.733 176.117 0.195 0.000 1.001 123 I CA -2.975 58.414 61.300 0.149 0.000 1.193 123 I CB 0.935 39.000 38.000 0.108 0.000 1.345 123 I HN 0.259 nan 8.210 nan 0.000 0.461 124 P HA 0.315 nan 4.420 nan 0.000 0.266 124 P C 0.100 177.487 177.300 0.144 0.000 1.195 124 P CA 0.059 63.248 63.100 0.147 0.000 0.768 124 P CB 0.776 32.533 31.700 0.094 0.000 0.838 125 G N 0.553 109.484 108.800 0.219 0.000 2.698 125 G HA2 0.525 4.485 3.960 0.000 0.000 0.293 125 G HA3 0.525 4.485 3.960 0.000 0.000 0.293 125 G C -1.914 173.124 174.900 0.230 0.000 1.437 125 G CA -0.460 44.759 45.100 0.199 0.000 0.852 125 G HN 0.318 nan 8.290 nan 0.000 0.499 126 V N 0.663 120.666 119.914 0.148 0.000 2.487 126 V HA 0.688 4.808 4.120 0.000 0.000 0.298 126 V C -0.153 176.000 176.094 0.098 0.000 1.028 126 V CA -0.531 61.855 62.300 0.143 0.000 0.860 126 V CB 1.768 33.645 31.823 0.090 0.000 0.991 126 V HN 0.783 nan 8.190 nan 0.000 0.427 127 T N 3.267 117.897 114.554 0.126 0.000 2.792 127 T HA 0.561 4.911 4.350 0.000 0.000 0.280 127 T C 0.045 174.748 174.700 0.006 0.000 0.990 127 T CA -0.431 61.701 62.100 0.053 0.000 0.960 127 T CB 1.478 70.372 68.868 0.044 0.000 0.939 127 T HN 0.893 nan 8.240 nan 0.000 0.439 128 T N 1.853 116.373 114.554 -0.057 0.000 2.895 128 T HA 0.801 5.151 4.350 0.000 0.000 0.283 128 T C -0.584 174.011 174.700 -0.176 0.000 1.014 128 T CA -0.904 61.132 62.100 -0.107 0.000 1.037 128 T CB 0.627 69.439 68.868 -0.094 0.000 1.006 128 T HN 0.386 nan 8.240 nan 0.000 0.468 129 L N 2.047 123.135 121.223 -0.225 0.000 2.409 129 L HA 0.580 4.920 4.340 0.000 0.000 0.272 129 L C -0.301 176.317 176.870 -0.419 0.000 0.980 129 L CA -0.922 53.655 54.840 -0.438 0.000 0.826 129 L CB 2.294 44.050 42.059 -0.505 0.000 1.268 129 L HN 0.720 nan 8.230 nan 0.000 0.407 130 K N 3.228 123.333 120.400 -0.492 0.000 2.358 130 K HA 0.608 4.928 4.320 0.000 0.000 0.260 130 K C -1.483 174.850 176.600 -0.445 0.000 0.956 130 K CA -0.398 55.704 56.287 -0.308 0.000 0.834 130 K CB 1.086 33.494 32.500 -0.153 0.000 1.102 130 K HN 0.244 nan 8.250 nan 0.000 0.431 131 F N 1.525 121.449 119.950 -0.042 0.000 2.470 131 F HA 0.200 4.727 4.527 -0.000 0.000 0.329 131 F C 0.590 176.395 175.800 0.009 0.000 1.072 131 F CA -0.699 57.295 58.000 -0.011 0.000 0.989 131 F CB 1.117 40.118 39.000 0.001 0.000 1.193 131 F HN 0.498 nan 8.300 nan 0.000 0.481 132 D N 4.076 124.606 120.400 0.216 0.000 2.339 132 D HA 0.124 4.764 4.640 0.000 0.000 0.256 132 D C -1.647 174.738 176.300 0.141 0.000 1.214 132 D CA -2.215 51.867 54.000 0.136 0.000 0.877 132 D CB 1.467 42.331 40.800 0.108 0.000 1.111 132 D HN 0.137 nan 8.370 nan 0.000 0.478 133 P HA -0.129 nan 4.420 nan 0.000 0.218 133 P C 1.022 178.352 177.300 0.049 0.000 1.149 133 P CA 0.812 63.955 63.100 0.072 0.000 0.817 133 P CB 0.422 32.155 31.700 0.055 0.000 0.785 134 N N -0.177 118.552 118.700 0.048 0.000 2.216 134 N HA -0.101 4.639 4.740 0.000 0.000 0.183 134 N C 1.607 177.139 175.510 0.037 0.000 1.017 134 N CA 2.025 55.096 53.050 0.036 0.000 0.861 134 N CB -0.460 38.047 38.487 0.034 0.000 0.986 134 N HN 0.166 nan 8.380 nan 0.000 0.428 135 T N -3.719 110.868 114.554 0.055 0.000 3.022 135 T HA 0.126 4.476 4.350 0.000 0.000 0.250 135 T C 0.502 175.239 174.700 0.061 0.000 1.060 135 T CA -0.096 62.037 62.100 0.055 0.000 1.013 135 T CB -0.091 68.819 68.868 0.070 0.000 0.982 135 T HN 0.210 nan 8.240 nan 0.000 0.508 136 Q N 0.652 120.501 119.800 0.081 0.000 2.461 136 Q HA -0.182 4.158 4.340 0.000 0.000 0.264 136 Q C -0.353 175.781 176.000 0.223 0.000 1.085 136 Q CA 0.516 56.372 55.803 0.088 0.000 1.006 136 Q CB -1.027 27.696 28.738 -0.024 0.000 1.437 136 Q HN 0.653 nan 8.270 nan 0.000 0.514 137 R N 0.139 120.799 120.500 0.267 0.000 2.643 137 R HA 0.509 4.849 4.340 0.000 0.000 0.272 137 R C -0.176 176.354 176.300 0.384 0.000 0.995 137 R CA -1.067 55.238 56.100 0.343 0.000 1.032 137 R CB 0.822 31.255 30.300 0.220 0.000 1.126 137 R HN 0.047 nan 8.270 nan 0.000 0.505 138 L N 1.141 122.549 121.223 0.308 0.000 2.360 138 L HA 0.105 4.445 4.340 0.000 0.000 0.276 138 L C 0.795 177.665 176.870 0.000 0.000 1.121 138 L CA 0.807 55.621 54.840 -0.042 0.000 0.845 138 L CB 1.277 43.285 42.059 -0.084 0.000 1.143 138 L HN 0.619 nan 8.230 nan 0.000 0.452 139 T N 3.231 117.728 114.554 -0.095 0.000 2.814 139 T HA 0.057 4.407 4.350 0.000 0.000 0.254 139 T C 0.134 174.794 174.700 -0.066 0.000 1.037 139 T CA 0.774 62.849 62.100 -0.043 0.000 1.143 139 T CB 0.005 68.850 68.868 -0.038 0.000 0.866 139 T HN 0.666 nan 8.240 nan 0.000 0.431 140 E N 0.612 120.727 120.200 -0.142 0.000 2.335 140 E HA 0.318 4.668 4.350 0.000 0.000 0.280 140 E C -1.626 174.843 176.600 -0.218 0.000 0.918 140 E CA -0.521 55.810 56.400 -0.115 0.000 0.765 140 E CB 1.716 31.384 29.700 -0.053 0.000 1.218 140 E HN 0.152 nan 8.360 nan 0.000 0.425 141 Q N 3.372 123.048 119.800 -0.206 0.000 2.293 141 Q HA 0.507 4.847 4.340 0.000 0.000 0.261 141 Q C -1.587 174.350 176.000 -0.105 0.000 0.960 141 Q CA -0.720 54.910 55.803 -0.289 0.000 0.882 141 Q CB 1.662 30.067 28.738 -0.556 0.000 1.275 141 Q HN 0.331 nan 8.270 nan 0.000 0.445 142 V N 3.845 123.711 119.914 -0.080 0.000 2.448 142 V HA 0.370 4.490 4.120 0.000 0.000 0.295 142 V C -0.808 175.258 176.094 -0.046 0.000 1.025 142 V CA -0.817 61.468 62.300 -0.024 0.000 0.859 142 V CB 1.768 33.583 31.823 -0.014 0.000 0.988 142 V HN 0.817 nan 8.190 nan 0.000 0.431 143 D N 4.113 124.499 120.400 -0.024 0.000 2.256 143 D HA 0.733 5.373 4.640 0.000 0.000 0.246 143 D C -0.350 175.916 176.300 -0.057 0.000 1.042 143 D CA -0.117 53.879 54.000 -0.006 0.000 0.841 143 D CB 2.296 43.143 40.800 0.078 0.000 1.223 143 D HN 0.314 nan 8.370 nan 0.000 0.470 147 Y N 0.773 121.107 120.300 0.057 0.000 2.352 147 Y HA -0.072 4.478 4.550 0.000 0.000 0.292 147 Y C 2.377 178.309 175.900 0.053 0.000 1.136 147 Y CA 1.074 59.209 58.100 0.058 0.000 1.227 147 Y CB -0.161 38.328 38.460 0.048 0.000 0.991 147 Y HN 0.366 nan 8.280 nan 0.000 0.545 148 Q N 0.327 120.230 119.800 0.173 0.000 2.084 148 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 148 Q C 1.022 177.076 176.000 0.089 0.000 0.978 148 Q CA 1.450 57.322 55.803 0.114 0.000 0.844 148 Q CB -0.593 28.194 28.738 0.082 0.000 0.898 148 Q HN 0.290 nan 8.270 nan 0.000 0.426 152 D N 1.990 122.423 120.400 0.055 0.000 2.117 152 D HA -0.054 4.586 4.640 0.000 0.000 0.197 152 D C 1.933 178.250 176.300 0.027 0.000 0.987 152 D CA 1.475 55.498 54.000 0.038 0.000 0.829 152 D CB -0.294 40.528 40.800 0.036 0.000 0.961 152 D HN 0.613 nan 8.370 nan 0.000 0.460 153 Q N -0.119 119.696 119.800 0.024 0.000 2.079 153 Q HA -0.023 4.317 4.340 0.000 0.000 0.200 153 Q C 2.449 178.448 176.000 -0.001 0.000 0.974 153 Q CA 0.635 56.441 55.803 0.005 0.000 0.840 153 Q CB -0.023 28.711 28.738 -0.007 0.000 0.898 153 Q HN 0.306 nan 8.270 nan 0.000 0.430 154 L N 0.475 121.704 121.223 0.010 0.000 2.217 154 L HA -0.184 4.156 4.340 0.000 0.000 0.211 154 L C 2.372 179.253 176.870 0.018 0.000 1.107 154 L CA 0.777 55.623 54.840 0.010 0.000 0.783 154 L CB -0.354 41.727 42.059 0.037 0.000 0.919 154 L HN 0.311 nan 8.230 nan 0.000 0.442 155 Q N 0.050 119.863 119.800 0.022 0.000 2.096 155 Q HA -0.253 4.087 4.340 0.000 0.000 0.208 155 Q C 2.388 178.396 176.000 0.013 0.000 0.993 155 Q CA 2.283 58.098 55.803 0.020 0.000 0.862 155 Q CB -0.220 28.530 28.738 0.020 0.000 0.915 155 Q HN 0.638 nan 8.270 nan 0.000 0.416 156 S N -0.022 115.683 115.700 0.008 0.000 2.423 156 S HA -0.110 4.360 4.470 0.000 0.000 0.231 156 S C 0.921 175.522 174.600 0.002 0.000 1.014 156 S CA 0.524 58.727 58.200 0.004 0.000 0.965 156 S CB -0.058 63.142 63.200 0.000 0.000 0.785 156 S HN 0.284 nan 8.310 nan 0.000 0.495 157 Q N 0.000 119.800 119.800 0.000 0.000 2.315 157 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 157 Q CA 0.000 55.801 55.803 -0.003 0.000 1.022 157 Q CB 0.000 28.729 28.738 -0.015 0.000 1.108 157 Q HN 0.000 nan 8.270 nan 0.000 0.481