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 1xkp_1_B DATA FIRST_RESID 2 DATA SEQUENCE SWIEPIISHF CQDLGVPTSS PLSPLIQLEM AQSGTLQLEQ HGATLTLWLA DATA SEQUENCE RSLAWHRCED AMVXALTLTA AQXSGALPLR AGWLGESQLV LFVSLDERSL DATA SEQUENCE TLPLLHQAFE QLLRLQQEVL A 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.628 174.600 0.046 0.000 1.055 2 S CA 0.000 58.217 58.200 0.028 0.000 1.107 2 S CB 0.000 63.163 63.200 -0.061 0.000 0.593 3 W N 6.097 127.395 121.300 -0.003 0.000 2.584 3 W HA 0.126 4.786 4.660 -0.000 0.000 0.264 3 W C 1.094 177.612 176.519 -0.002 0.000 1.264 3 W CA 1.037 58.381 57.345 -0.002 0.000 1.306 3 W CB -0.709 28.748 29.460 -0.004 0.000 1.110 3 W HN 0.712 nan 8.180 nan 0.000 0.606 4 I N -0.090 119.899 120.570 -0.968 0.000 3.564 4 I HA 0.050 4.220 4.170 -0.000 0.000 0.294 4 I C 2.193 178.067 176.117 -0.405 0.000 1.289 4 I CA 1.227 61.946 61.300 -0.968 0.000 1.325 4 I CB -0.583 36.786 38.000 -1.051 0.000 1.039 4 I HN 0.012 nan 8.210 nan 0.000 0.474 5 E N 2.780 122.836 120.200 -0.240 0.000 2.114 5 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 5 E C -0.539 176.020 176.600 -0.069 0.000 1.008 5 E CA 2.043 58.372 56.400 -0.118 0.000 0.810 5 E CB -1.012 28.652 29.700 -0.060 0.000 0.739 5 E HN 0.397 nan 8.360 nan 0.000 0.456 6 P HA -0.138 nan 4.420 nan 0.000 0.216 6 P C 1.248 178.569 177.300 0.036 0.000 1.150 6 P CA 1.314 64.418 63.100 0.007 0.000 0.837 6 P CB -0.058 31.665 31.700 0.038 0.000 0.786 7 I N -1.389 119.169 120.570 -0.021 0.000 2.202 7 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 7 I C 2.273 178.392 176.117 0.005 0.000 1.091 7 I CA 1.380 62.675 61.300 -0.009 0.000 1.368 7 I CB -0.480 37.452 38.000 -0.115 0.000 1.058 7 I HN -0.130 nan 8.210 nan 0.000 0.410 8 I N -0.194 120.343 120.570 -0.054 0.000 2.252 8 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 8 I C 2.791 178.952 176.117 0.073 0.000 1.102 8 I CA 1.273 62.562 61.300 -0.017 0.000 1.385 8 I CB -0.378 37.575 38.000 -0.079 0.000 1.064 8 I HN 0.199 nan 8.210 nan 0.000 0.414 9 S N -0.066 115.660 115.700 0.043 0.000 2.370 9 S HA -0.326 4.144 4.470 -0.000 0.000 0.226 9 S C 2.131 176.792 174.600 0.102 0.000 1.033 9 S CA 1.848 60.076 58.200 0.047 0.000 1.011 9 S CB -0.506 62.704 63.200 0.017 0.000 0.852 9 S HN 0.551 nan 8.310 nan 0.000 0.457 10 H N -1.378 117.702 119.070 0.017 0.000 2.357 10 H HA -0.078 4.478 4.556 -0.000 0.000 0.301 10 H C 2.013 177.365 175.328 0.040 0.000 1.082 10 H CA 1.427 57.493 56.048 0.030 0.000 1.342 10 H CB -0.281 29.511 29.762 0.050 0.000 1.389 10 H HN 0.548 nan 8.280 nan 0.000 0.511 11 F N 1.025 120.964 119.950 -0.019 0.000 2.091 11 F HA -0.316 4.211 4.527 -0.000 0.000 0.299 11 F C 2.361 178.077 175.800 -0.139 0.000 1.103 11 F CA 1.717 59.578 58.000 -0.231 0.000 1.228 11 F CB -0.944 37.819 39.000 -0.396 0.000 0.984 11 F HN 0.256 nan 8.300 nan 0.000 0.477 12 C N 0.029 119.217 119.300 -0.187 0.000 2.429 12 C HA -0.178 4.282 4.460 -0.000 0.000 0.277 12 C C 2.714 177.594 174.990 -0.184 0.000 1.262 12 C CA 1.312 60.182 59.018 -0.245 0.000 1.733 12 C CB -1.204 26.500 27.740 -0.060 0.000 2.010 12 C HN 0.605 nan 8.230 nan 0.000 0.483 13 Q N 1.379 121.146 119.800 -0.055 0.000 2.170 13 Q HA -0.145 4.195 4.340 -0.000 0.000 0.203 13 Q C 1.480 177.472 176.000 -0.014 0.000 0.976 13 Q CA 1.800 57.596 55.803 -0.012 0.000 0.858 13 Q CB -0.610 28.151 28.738 0.039 0.000 0.907 13 Q HN 0.567 nan 8.270 nan 0.000 0.433 14 D N -0.501 119.894 120.400 -0.010 0.000 2.218 14 D HA -0.098 4.542 4.640 -0.000 0.000 0.204 14 D C 1.092 177.327 176.300 -0.108 0.000 0.976 14 D CA 0.798 54.785 54.000 -0.020 0.000 0.853 14 D CB 0.053 40.891 40.800 0.064 0.000 0.939 14 D HN 0.348 nan 8.370 nan 0.000 0.481 15 L N -0.629 120.454 121.223 -0.234 0.000 2.612 15 L HA 0.222 4.561 4.340 -0.000 0.000 0.230 15 L C 1.275 178.072 176.870 -0.122 0.000 1.140 15 L CA 0.192 54.904 54.840 -0.215 0.000 0.896 15 L CB -0.262 41.572 42.059 -0.375 0.000 1.065 15 L HN 0.046 nan 8.230 nan 0.000 0.447 16 G N 0.803 109.549 108.800 -0.090 0.000 2.160 16 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.251 16 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.251 16 G C 0.065 174.932 174.900 -0.055 0.000 1.008 16 G CA 0.089 45.156 45.100 -0.055 0.000 0.724 16 G HN 0.169 nan 8.290 nan 0.000 0.514 17 V N 1.935 121.803 119.914 -0.075 0.000 2.294 17 V HA 0.377 4.497 4.120 -0.000 0.000 0.272 17 V C -1.589 174.478 176.094 -0.045 0.000 1.027 17 V CA -1.657 60.607 62.300 -0.060 0.000 0.823 17 V CB 1.448 33.224 31.823 -0.079 0.000 1.030 17 V HN 0.150 nan 8.190 nan 0.000 0.457 18 P HA 0.269 nan 4.420 nan 0.000 0.269 18 P C -0.125 177.165 177.300 -0.018 0.000 1.209 18 P CA 0.236 63.322 63.100 -0.023 0.000 0.776 18 P CB 0.504 32.193 31.700 -0.018 0.000 0.876 19 T N -1.953 112.592 114.554 -0.015 0.000 2.903 19 T HA 0.605 4.955 4.350 -0.000 0.000 0.299 19 T C -0.322 174.373 174.700 -0.009 0.000 1.093 19 T CA -0.867 61.227 62.100 -0.010 0.000 1.002 19 T CB 1.113 69.977 68.868 -0.006 0.000 1.127 19 T HN 0.340 nan 8.240 nan 0.000 0.488 20 S N 1.132 116.828 115.700 -0.007 0.000 2.585 20 S HA 0.648 5.118 4.470 -0.000 0.000 0.277 20 S C 0.090 174.687 174.600 -0.005 0.000 1.241 20 S CA -0.721 57.475 58.200 -0.006 0.000 1.041 20 S CB 1.329 64.526 63.200 -0.004 0.000 0.987 20 S HN 0.929 nan 8.310 nan 0.000 0.512 21 S N 2.547 118.244 115.700 -0.005 0.000 2.541 21 S HA 0.640 5.110 4.470 -0.000 0.000 0.283 21 S C -2.209 172.391 174.600 -0.001 0.000 1.196 21 S CA -1.247 56.952 58.200 -0.003 0.000 1.062 21 S CB -0.143 63.056 63.200 -0.003 0.000 1.009 21 S HN 0.811 nan 8.310 nan 0.000 0.502 22 P HA 0.370 nan 4.420 nan 0.000 0.279 22 P C -0.943 176.355 177.300 -0.003 0.000 1.252 22 P CA -0.660 62.440 63.100 -0.000 0.000 0.811 22 P CB 0.498 32.200 31.700 0.003 0.000 1.035 23 L N 0.707 121.925 121.223 -0.008 0.000 2.395 23 L HA 0.211 4.551 4.340 -0.000 0.000 0.269 23 L C 1.273 178.138 176.870 -0.009 0.000 1.133 23 L CA -0.477 54.357 54.840 -0.010 0.000 0.812 23 L CB 0.934 42.982 42.059 -0.019 0.000 1.125 23 L HN 0.514 nan 8.230 nan 0.000 0.452 24 S N 3.003 118.700 115.700 -0.004 0.000 2.573 24 S HA 0.142 4.612 4.470 -0.000 0.000 0.277 24 S C -1.224 173.374 174.600 -0.003 0.000 1.346 24 S CA -1.044 57.156 58.200 0.000 0.000 1.034 24 S CB 0.677 63.881 63.200 0.006 0.000 0.879 24 S HN 0.505 nan 8.310 nan 0.000 0.528 25 P HA 0.047 nan 4.420 nan 0.000 0.228 25 P C -0.124 177.191 177.300 0.025 0.000 1.151 25 P CA 0.488 63.592 63.100 0.007 0.000 0.770 25 P CB -0.040 31.673 31.700 0.022 0.000 0.786 26 L N 0.431 121.671 121.223 0.029 0.000 2.372 26 L HA 0.440 4.780 4.340 -0.000 0.000 0.274 26 L C -0.918 175.972 176.870 0.033 0.000 0.988 26 L CA -0.960 53.907 54.840 0.046 0.000 0.833 26 L CB 1.182 43.270 42.059 0.050 0.000 1.236 26 L HN -0.277 nan 8.230 nan 0.000 0.410 27 I N 4.235 124.826 120.570 0.035 0.000 2.404 27 I HA 0.425 4.595 4.170 -0.000 0.000 0.293 27 I C -0.391 175.755 176.117 0.049 0.000 0.992 27 I CA -0.379 60.940 61.300 0.031 0.000 1.149 27 I CB 1.839 39.852 38.000 0.021 0.000 1.315 27 I HN 0.699 nan 8.210 nan 0.000 0.446 28 Q N 6.553 126.379 119.800 0.044 0.000 2.325 28 Q HA 0.600 4.940 4.340 -0.000 0.000 0.270 28 Q C -1.905 174.125 176.000 0.049 0.000 1.020 28 Q CA -0.585 55.250 55.803 0.054 0.000 0.785 28 Q CB 1.963 30.725 28.738 0.040 0.000 1.259 28 Q HN 0.581 nan 8.270 nan 0.000 0.452 29 L N 3.519 124.782 121.223 0.066 0.000 2.313 29 L HA 0.491 4.831 4.340 -0.000 0.000 0.283 29 L C -0.381 176.531 176.870 0.071 0.000 1.013 29 L CA -0.824 54.053 54.840 0.061 0.000 0.816 29 L CB 1.698 43.798 42.059 0.068 0.000 1.236 29 L HN 0.544 nan 8.230 nan 0.000 0.419 30 E N 4.956 125.187 120.200 0.051 0.000 2.146 30 E HA 0.434 4.784 4.350 -0.000 0.000 0.282 30 E C -0.737 175.896 176.600 0.055 0.000 0.989 30 E CA -0.293 56.137 56.400 0.049 0.000 0.799 30 E CB 2.158 31.877 29.700 0.031 0.000 1.088 30 E HN 0.506 nan 8.360 nan 0.000 0.397 31 M N 1.447 121.087 119.600 0.067 0.000 2.238 31 M HA 0.330 4.810 4.480 -0.000 0.000 0.350 31 M C 1.171 177.498 176.300 0.044 0.000 1.138 31 M CA -0.588 54.754 55.300 0.070 0.000 1.040 31 M CB 1.804 34.465 32.600 0.102 0.000 1.639 31 M HN 0.562 nan 8.290 nan 0.000 0.451 32 A N 2.132 124.974 122.820 0.036 0.000 1.908 32 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 32 A C 1.830 179.425 177.584 0.019 0.000 1.181 32 A CA 1.981 54.032 52.037 0.024 0.000 0.627 32 A CB -0.204 18.808 19.000 0.021 0.000 0.818 32 A HN 0.874 nan 8.150 nan 0.000 0.445 33 Q N -1.532 118.280 119.800 0.019 0.000 2.462 33 Q HA 0.165 4.505 4.340 -0.000 0.000 0.224 33 Q C 2.164 178.169 176.000 0.008 0.000 0.911 33 Q CA 1.182 56.991 55.803 0.010 0.000 0.925 33 Q CB 0.203 28.945 28.738 0.007 0.000 1.063 33 Q HN 0.527 nan 8.270 nan 0.000 0.572 34 S N -0.092 115.618 115.700 0.017 0.000 2.489 34 S HA 0.337 4.807 4.470 -0.000 0.000 0.228 34 S C 0.847 175.458 174.600 0.018 0.000 0.995 34 S CA 0.566 58.773 58.200 0.012 0.000 0.934 34 S CB 0.049 63.256 63.200 0.013 0.000 0.771 34 S HN 0.556 nan 8.310 nan 0.000 0.522 35 G N 0.741 109.557 108.800 0.026 0.000 2.418 35 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.206 35 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.206 35 G C -0.695 174.233 174.900 0.046 0.000 1.202 35 G CA -0.494 44.619 45.100 0.022 0.000 1.061 35 G HN 0.216 nan 8.290 nan 0.000 0.563 36 T N 1.163 115.744 114.554 0.045 0.000 2.749 36 T HA 0.554 4.904 4.350 -0.000 0.000 0.287 36 T C -0.279 174.482 174.700 0.103 0.000 0.970 36 T CA -0.099 62.038 62.100 0.062 0.000 0.980 36 T CB 1.474 70.363 68.868 0.034 0.000 0.924 36 T HN 0.936 nan 8.240 nan 0.000 0.456 37 L N 4.322 125.625 121.223 0.133 0.000 2.282 37 L HA 0.465 4.805 4.340 -0.000 0.000 0.288 37 L C -0.371 176.591 176.870 0.154 0.000 1.033 37 L CA -0.027 54.917 54.840 0.174 0.000 0.807 37 L CB 1.071 43.273 42.059 0.239 0.000 1.209 37 L HN 0.581 nan 8.230 nan 0.000 0.423 38 Q N 4.526 124.441 119.800 0.191 0.000 2.312 38 Q HA 0.533 4.873 4.340 -0.000 0.000 0.263 38 Q C -1.458 174.629 176.000 0.144 0.000 0.995 38 Q CA -0.884 55.034 55.803 0.192 0.000 0.853 38 Q CB 2.440 31.346 28.738 0.280 0.000 1.300 38 Q HN 0.478 nan 8.270 nan 0.000 0.448 39 L N 2.489 123.755 121.223 0.072 0.000 2.277 39 L HA 0.315 4.655 4.340 -0.000 0.000 0.284 39 L C -0.400 176.489 176.870 0.032 0.000 1.028 39 L CA 0.154 54.983 54.840 -0.019 0.000 0.835 39 L CB 1.315 43.322 42.059 -0.087 0.000 1.215 39 L HN 0.562 nan 8.230 nan 0.000 0.425 40 E N 3.024 123.265 120.200 0.069 0.000 2.145 40 E HA 0.352 4.702 4.350 -0.000 0.000 0.270 40 E C -1.055 175.636 176.600 0.150 0.000 0.906 40 E CA -0.646 55.859 56.400 0.175 0.000 0.761 40 E CB 1.008 30.951 29.700 0.404 0.000 1.116 40 E HN 0.501 nan 8.360 nan 0.000 0.408 41 Q N 3.256 123.108 119.800 0.086 0.000 2.296 41 Q HA 0.243 4.583 4.340 -0.000 0.000 0.257 41 Q C -1.110 174.964 176.000 0.123 0.000 0.942 41 Q CA -0.384 55.432 55.803 0.021 0.000 0.939 41 Q CB 0.840 29.559 28.738 -0.033 0.000 1.198 41 Q HN 0.520 nan 8.270 nan 0.000 0.429 42 H N 0.321 119.407 119.070 0.025 0.000 2.877 42 H HA 0.615 5.171 4.556 -0.000 0.000 0.347 42 H C 0.531 175.882 175.328 0.039 0.000 1.042 42 H CA -0.369 55.706 56.048 0.045 0.000 1.276 42 H CB 1.178 30.988 29.762 0.081 0.000 1.681 42 H HN 0.682 nan 8.280 nan 0.000 0.521 43 G N 1.992 110.824 108.800 0.053 0.000 2.622 43 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.307 43 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.307 43 G C 0.728 175.610 174.900 -0.031 0.000 1.226 43 G CA 0.843 45.952 45.100 0.014 0.000 0.997 43 G HN 1.603 nan 8.290 nan 0.000 0.551 44 A N -0.062 122.727 122.820 -0.052 0.000 2.708 44 A HA 0.670 4.990 4.320 -0.000 0.000 0.293 44 A C 0.592 178.115 177.584 -0.101 0.000 1.303 44 A CA 1.363 53.383 52.037 -0.029 0.000 0.949 44 A CB 0.046 19.053 19.000 0.012 0.000 1.121 44 A HN 1.111 nan 8.150 nan 0.000 0.542 45 T N 0.085 114.484 114.554 -0.259 0.000 2.887 45 T HA 0.539 4.889 4.350 -0.000 0.000 0.288 45 T C -1.117 173.363 174.700 -0.367 0.000 1.021 45 T CA -0.366 61.518 62.100 -0.361 0.000 1.000 45 T CB 1.689 70.195 68.868 -0.603 0.000 1.034 45 T HN 0.199 nan 8.240 nan 0.000 0.467 46 L N 2.931 124.007 121.223 -0.246 0.000 2.298 46 L HA 0.598 4.938 4.340 -0.000 0.000 0.284 46 L C -0.434 176.318 176.870 -0.198 0.000 1.013 46 L CA 0.107 54.826 54.840 -0.201 0.000 0.824 46 L CB 1.189 43.128 42.059 -0.200 0.000 1.221 46 L HN 0.634 nan 8.230 nan 0.000 0.418 47 T N 5.885 120.333 114.554 -0.176 0.000 2.779 47 T HA 0.537 4.886 4.350 -0.000 0.000 0.280 47 T C -0.537 173.828 174.700 -0.558 0.000 0.987 47 T CA -0.354 61.502 62.100 -0.407 0.000 0.966 47 T CB 1.043 69.537 68.868 -0.623 0.000 0.933 47 T HN 0.244 nan 8.240 nan 0.000 0.442 48 L N 3.906 124.846 121.223 -0.471 0.000 2.260 48 L HA 0.448 4.788 4.340 -0.000 0.000 0.289 48 L C -0.858 175.826 176.870 -0.310 0.000 1.057 48 L CA -0.308 54.347 54.840 -0.307 0.000 0.811 48 L CB 0.095 42.073 42.059 -0.135 0.000 1.184 48 L HN 0.651 nan 8.230 nan 0.000 0.429 49 W N 5.768 127.117 121.300 0.082 0.000 2.475 49 W HA 0.618 5.278 4.660 0.000 0.000 0.317 49 W C -0.634 175.934 176.519 0.082 0.000 1.046 49 W CA -0.750 56.649 57.345 0.089 0.000 1.215 49 W CB 1.160 30.613 29.460 -0.011 0.000 1.335 49 W HN 0.202 nan 8.180 nan 0.000 0.471 50 L N 4.050 125.458 121.223 0.308 0.000 2.345 50 L HA 0.833 5.173 4.340 -0.000 0.000 0.274 50 L C -0.503 176.447 176.870 0.134 0.000 0.999 50 L CA -0.685 54.266 54.840 0.186 0.000 0.849 50 L CB 0.645 42.785 42.059 0.136 0.000 1.220 50 L HN 0.494 nan 8.230 nan 0.000 0.422 51 A N 5.499 128.368 122.820 0.081 0.000 2.330 51 A HA 0.881 5.201 4.320 -0.000 0.000 0.327 51 A C -0.605 176.954 177.584 -0.043 0.000 1.155 51 A CA -0.692 51.342 52.037 -0.004 0.000 0.803 51 A CB 0.920 19.900 19.000 -0.033 0.000 1.208 51 A HN 0.746 nan 8.150 nan 0.000 0.477 52 R N 2.012 122.449 120.500 -0.106 0.000 2.533 52 R HA 0.483 4.823 4.340 -0.000 0.000 0.288 52 R C -1.183 175.018 176.300 -0.166 0.000 1.039 52 R CA -0.243 55.795 56.100 -0.103 0.000 0.909 52 R CB 1.686 31.944 30.300 -0.070 0.000 1.195 52 R HN 0.683 nan 8.270 nan 0.000 0.438 53 S N 4.635 120.263 115.700 -0.120 0.000 2.528 53 S HA 0.366 4.836 4.470 -0.000 0.000 0.277 53 S C -0.190 174.360 174.600 -0.083 0.000 1.297 53 S CA -0.389 57.742 58.200 -0.116 0.000 1.052 53 S CB 0.545 63.707 63.200 -0.064 0.000 0.917 53 S HN 0.378 nan 8.310 nan 0.000 0.492 54 L N 2.316 123.497 121.223 -0.069 0.000 2.334 54 L HA 0.642 4.982 4.340 -0.000 0.000 0.273 54 L C 0.532 177.386 176.870 -0.028 0.000 1.013 54 L CA -1.094 53.719 54.840 -0.046 0.000 0.816 54 L CB 1.357 43.413 42.059 -0.005 0.000 1.278 54 L HN 0.662 nan 8.230 nan 0.000 0.431 55 A N 2.329 125.076 122.820 -0.123 0.000 2.483 55 A HA 0.011 4.331 4.320 -0.000 0.000 0.238 55 A C 1.013 178.446 177.584 -0.251 0.000 1.070 55 A CA -0.189 51.743 52.037 -0.174 0.000 0.770 55 A CB 0.040 18.830 19.000 -0.350 0.000 1.008 55 A HN 1.008 nan 8.150 nan 0.000 0.497 56 W N 3.200 124.469 121.300 -0.053 0.000 2.325 56 W HA -0.266 4.394 4.660 0.000 0.000 0.299 56 W C 1.270 177.791 176.519 0.003 0.000 1.215 56 W CA 1.822 59.178 57.345 0.019 0.000 1.244 56 W CB -1.157 28.348 29.460 0.075 0.000 1.140 56 W HN 0.967 nan 8.180 nan 0.000 0.523 57 H N 0.249 118.671 119.070 -1.080 0.000 2.556 57 H HA 0.227 4.783 4.556 -0.000 0.000 0.268 57 H C 1.422 176.510 175.328 -0.401 0.000 0.996 57 H CA 0.726 56.155 56.048 -1.033 0.000 1.157 57 H CB -0.567 28.267 29.762 -1.547 0.000 1.355 57 H HN 0.211 nan 8.280 nan 0.000 0.597 58 R N -0.365 119.796 120.500 -0.565 0.000 2.365 58 R HA 0.197 4.537 4.340 -0.000 0.000 0.223 58 R C 1.562 177.828 176.300 -0.056 0.000 0.899 58 R CA 0.246 56.182 56.100 -0.274 0.000 1.059 58 R CB 0.249 30.356 30.300 -0.322 0.000 1.086 58 R HN 0.204 nan 8.270 nan 0.000 0.522 59 C N 0.008 119.315 119.300 0.011 0.000 2.486 59 C HA -0.019 4.441 4.460 -0.000 0.000 0.279 59 C C 2.408 177.402 174.990 0.006 0.000 1.302 59 C CA 0.636 59.748 59.018 0.156 0.000 1.720 59 C CB -0.263 27.614 27.740 0.229 0.000 2.030 59 C HN 0.580 nan 8.230 nan 0.000 0.490 60 E N 1.258 121.443 120.200 -0.025 0.000 2.051 60 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 60 E C 1.377 177.951 176.600 -0.042 0.000 0.991 60 E CA 1.709 58.073 56.400 -0.061 0.000 0.799 60 E CB -0.164 29.524 29.700 -0.019 0.000 0.748 60 E HN 0.529 nan 8.360 nan 0.000 0.449 61 D N 0.374 120.766 120.400 -0.013 0.000 2.144 61 D HA -0.123 4.516 4.640 -0.000 0.000 0.200 61 D C 1.859 178.168 176.300 0.015 0.000 0.978 61 D CA 1.246 55.245 54.000 -0.003 0.000 0.833 61 D CB -0.282 40.517 40.800 -0.002 0.000 0.961 61 D HN 0.338 nan 8.370 nan 0.000 0.470 62 A N 0.999 123.847 122.820 0.048 0.000 1.877 62 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 62 A C 2.304 179.961 177.584 0.121 0.000 1.186 62 A CA 1.295 53.397 52.037 0.109 0.000 0.620 62 A CB -0.567 18.556 19.000 0.205 0.000 0.822 62 A HN 0.113 nan 8.150 nan 0.000 0.443 63 M N -0.376 119.254 119.600 0.051 0.000 2.082 63 M HA -0.130 4.350 4.480 -0.000 0.000 0.258 63 M C 1.110 177.405 176.300 -0.009 0.000 1.071 63 M CA 1.010 56.288 55.300 -0.035 0.000 1.103 63 M CB -0.769 31.672 32.600 -0.265 0.000 1.307 63 M HN 0.208 nan 8.290 nan 0.000 0.409 67 L N 0.662 121.896 121.223 0.019 0.000 2.093 67 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 67 L C 2.536 179.404 176.870 -0.003 0.000 1.085 67 L CA 1.951 56.795 54.840 0.006 0.000 0.755 67 L CB -0.508 41.555 42.059 0.006 0.000 0.904 67 L HN 0.475 nan 8.230 nan 0.000 0.435 68 T N 0.102 114.654 114.554 -0.003 0.000 2.812 68 T HA -0.072 4.278 4.350 -0.000 0.000 0.264 68 T C 1.810 176.504 174.700 -0.010 0.000 1.042 68 T CA 1.022 63.119 62.100 -0.006 0.000 1.140 68 T CB -0.093 68.772 68.868 -0.005 0.000 0.870 68 T HN 0.195 nan 8.240 nan 0.000 0.445 69 L N 1.588 122.804 121.223 -0.011 0.000 2.599 69 L HA 0.079 4.419 4.340 -0.000 0.000 0.230 69 L C 2.294 179.148 176.870 -0.027 0.000 1.141 69 L CA 0.798 55.628 54.840 -0.017 0.000 0.877 69 L CB -0.497 41.553 42.059 -0.015 0.000 1.009 69 L HN 0.404 nan 8.230 nan 0.000 0.447 70 T N -3.693 110.842 114.554 -0.032 0.000 3.069 70 T HA 0.339 4.689 4.350 -0.000 0.000 0.252 70 T C 0.892 175.570 174.700 -0.036 0.000 1.053 70 T CA 0.008 62.080 62.100 -0.047 0.000 0.964 70 T CB 0.131 68.956 68.868 -0.073 0.000 1.005 70 T HN 0.138 nan 8.240 nan 0.000 0.532 71 A N 1.155 123.961 122.820 -0.023 0.000 2.531 71 A HA 0.664 4.984 4.320 -0.000 0.000 0.236 71 A C 1.952 179.525 177.584 -0.018 0.000 1.062 71 A CA 0.191 52.218 52.037 -0.017 0.000 0.760 71 A CB -0.288 18.705 19.000 -0.011 0.000 0.995 71 A HN 0.609 nan 8.150 nan 0.000 0.501 72 A N 1.468 124.279 122.820 -0.014 0.000 1.917 72 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 72 A C 1.583 179.160 177.584 -0.012 0.000 1.182 72 A CA 1.894 53.923 52.037 -0.014 0.000 0.633 72 A CB -0.735 18.260 19.000 -0.009 0.000 0.819 72 A HN 0.975 nan 8.150 nan 0.000 0.448 76 G N 0.419 109.205 108.800 -0.022 0.000 2.849 76 G HA2 0.617 4.577 3.960 -0.000 0.000 0.174 76 G HA3 0.617 4.577 3.960 -0.000 0.000 0.174 76 G C 1.054 175.944 174.900 -0.017 0.000 1.370 76 G CA 0.134 45.223 45.100 -0.018 0.000 1.040 76 G HN 0.970 nan 8.290 nan 0.000 0.582 77 A N -1.286 121.526 122.820 -0.014 0.000 2.066 77 A HA 0.348 4.668 4.320 -0.000 0.000 0.218 77 A C 1.069 178.643 177.584 -0.016 0.000 1.157 77 A CA 0.582 52.612 52.037 -0.012 0.000 0.670 77 A CB -0.431 18.564 19.000 -0.007 0.000 0.804 77 A HN 0.293 nan 8.150 nan 0.000 0.453 78 L N 0.240 121.450 121.223 -0.022 0.000 2.331 78 L HA 0.353 4.693 4.340 -0.000 0.000 0.275 78 L C -2.131 174.717 176.870 -0.038 0.000 1.022 78 L CA -2.163 52.660 54.840 -0.029 0.000 0.812 78 L CB 1.663 43.702 42.059 -0.033 0.000 1.257 78 L HN 0.008 nan 8.230 nan 0.000 0.435 79 P HA 0.180 nan 4.420 nan 0.000 0.225 79 P C -0.623 176.630 177.300 -0.078 0.000 1.813 79 P CA -0.171 62.902 63.100 -0.046 0.000 1.013 79 P CB -0.234 31.450 31.700 -0.027 0.000 1.961 80 L N 2.222 123.387 121.223 -0.096 0.000 2.416 80 L HA 0.279 4.619 4.340 -0.000 0.000 0.272 80 L C 1.223 177.957 176.870 -0.227 0.000 1.161 80 L CA 0.040 54.791 54.840 -0.149 0.000 0.845 80 L CB 0.200 42.190 42.059 -0.116 0.000 1.119 80 L HN 0.157 nan 8.230 nan 0.000 0.464 81 R N 1.863 122.096 120.500 -0.445 0.000 2.888 81 R HA 0.860 5.200 4.340 -0.000 0.000 0.266 81 R C -1.114 174.674 176.300 -0.853 0.000 1.020 81 R CA -0.933 54.797 56.100 -0.617 0.000 0.963 81 R CB 2.150 32.020 30.300 -0.716 0.000 1.197 81 R HN 0.712 nan 8.270 nan 0.000 0.481 82 A N 0.273 122.792 122.820 -0.501 0.000 2.386 82 A HA 0.882 5.202 4.320 -0.000 0.000 0.311 82 A C -0.642 177.034 177.584 0.153 0.000 1.068 82 A CA -0.438 51.498 52.037 -0.169 0.000 0.743 82 A CB 2.010 20.998 19.000 -0.020 0.000 1.258 82 A HN 0.786 nan 8.150 nan 0.000 0.429 83 G N -0.007 109.043 108.800 0.415 0.000 2.782 83 G HA2 0.628 4.588 3.960 -0.000 0.000 0.304 83 G HA3 0.628 4.588 3.960 -0.000 0.000 0.304 83 G C -1.794 173.384 174.900 0.464 0.000 1.315 83 G CA -0.390 45.000 45.100 0.483 0.000 0.791 83 G HN 0.924 nan 8.290 nan 0.000 0.519 84 W N -0.474 120.903 121.300 0.128 0.000 3.296 84 W HA 0.599 5.259 4.660 -0.000 0.000 0.314 84 W C -2.278 174.258 176.519 0.027 0.000 1.238 84 W CA -0.629 56.759 57.345 0.070 0.000 1.193 84 W CB 2.167 31.658 29.460 0.053 0.000 1.383 84 W HN 0.574 nan 8.180 nan 0.000 0.545 85 L N 4.552 125.685 121.223 -0.150 0.000 2.376 85 L HA 0.692 5.032 4.340 -0.000 0.000 0.275 85 L C 0.539 177.399 176.870 -0.017 0.000 0.987 85 L CA 1.086 55.887 54.840 -0.065 0.000 0.828 85 L CB 1.031 43.001 42.059 -0.149 0.000 1.249 85 L HN 0.837 nan 8.230 nan 0.000 0.409 86 G N 4.360 113.225 108.800 0.109 0.000 2.578 86 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.275 86 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.275 86 G C 0.672 175.736 174.900 0.273 0.000 1.271 86 G CA 0.516 45.694 45.100 0.130 0.000 0.941 86 G HN 0.998 nan 8.290 nan 0.000 0.564 87 E N 0.064 120.386 120.200 0.202 0.000 2.058 87 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 87 E C 2.093 178.981 176.600 0.479 0.000 0.997 87 E CA 3.175 59.730 56.400 0.259 0.000 0.801 87 E CB -0.737 29.054 29.700 0.152 0.000 0.746 87 E HN 1.658 nan 8.360 nan 0.000 0.450 88 S N -1.319 114.564 115.700 0.305 0.000 2.911 88 S HA 0.166 4.636 4.470 -0.000 0.000 0.261 88 S C 0.041 174.476 174.600 -0.275 0.000 1.021 88 S CA -0.703 57.643 58.200 0.243 0.000 1.222 88 S CB 0.096 63.388 63.200 0.153 0.000 1.171 88 S HN 0.131 nan 8.310 nan 0.000 0.669 89 Q N 1.863 121.256 119.800 -0.678 0.000 2.360 89 Q HA 0.451 4.791 4.340 -0.000 0.000 0.254 89 Q C -1.107 174.044 176.000 -1.415 0.000 0.975 89 Q CA -0.613 54.715 55.803 -0.792 0.000 0.912 89 Q CB 1.697 30.176 28.738 -0.432 0.000 1.212 89 Q HN 0.475 nan 8.270 nan 0.000 0.452 90 L N 3.982 124.507 121.223 -1.163 0.000 2.360 90 L HA 0.219 4.559 4.340 -0.000 0.000 0.276 90 L C -1.069 175.635 176.870 -0.276 0.000 1.121 90 L CA 0.110 54.503 54.840 -0.746 0.000 0.845 90 L CB 0.879 42.765 42.059 -0.289 0.000 1.143 90 L HN 0.310 nan 8.230 nan 0.000 0.452 91 V N 6.853 126.736 119.914 -0.053 0.000 2.444 91 V HA 0.458 4.578 4.120 -0.000 0.000 0.294 91 V C -0.084 176.203 176.094 0.322 0.000 1.022 91 V CA -0.582 61.806 62.300 0.146 0.000 0.850 91 V CB 1.384 33.309 31.823 0.168 0.000 0.992 91 V HN 0.626 nan 8.190 nan 0.000 0.426 92 L N 6.075 127.464 121.223 0.276 0.000 2.346 92 L HA 0.825 5.165 4.340 -0.000 0.000 0.274 92 L C -0.706 176.346 176.870 0.303 0.000 1.007 92 L CA -0.477 54.460 54.840 0.163 0.000 0.818 92 L CB 1.693 43.772 42.059 0.034 0.000 1.284 92 L HN 0.741 nan 8.230 nan 0.000 0.424 93 F N 1.111 121.100 119.950 0.064 0.000 2.668 93 F HA 0.842 5.369 4.527 -0.000 0.000 0.309 93 F C -1.297 174.443 175.800 -0.100 0.000 1.117 93 F CA -1.243 56.743 58.000 -0.024 0.000 0.951 93 F CB 1.737 40.768 39.000 0.051 0.000 1.323 93 F HN 0.158 nan 8.300 nan 0.000 0.451 94 V N 1.241 121.144 119.914 -0.018 0.000 2.777 94 V HA 0.677 4.797 4.120 -0.000 0.000 0.306 94 V C -1.306 174.708 176.094 -0.133 0.000 1.112 94 V CA -0.294 61.962 62.300 -0.072 0.000 0.917 94 V CB 2.292 34.066 31.823 -0.082 0.000 1.018 94 V HN 0.999 nan 8.190 nan 0.000 0.426 95 S N 7.108 122.759 115.700 -0.081 0.000 2.489 95 S HA 0.760 5.230 4.470 -0.000 0.000 0.291 95 S C -0.688 173.863 174.600 -0.081 0.000 1.151 95 S CA -0.489 57.656 58.200 -0.092 0.000 1.082 95 S CB 1.144 64.336 63.200 -0.014 0.000 1.019 95 S HN 0.621 nan 8.310 nan 0.000 0.492 96 L N 2.334 123.492 121.223 -0.108 0.000 2.362 96 L HA 0.438 4.778 4.340 -0.000 0.000 0.275 96 L C -0.287 176.531 176.870 -0.086 0.000 0.998 96 L CA -0.989 53.796 54.840 -0.091 0.000 0.820 96 L CB 1.548 43.540 42.059 -0.112 0.000 1.270 96 L HN 0.507 nan 8.230 nan 0.000 0.415 97 D N 2.338 122.709 120.400 -0.049 0.000 2.417 97 D HA -0.060 4.580 4.640 -0.000 0.000 0.250 97 D C 0.940 177.240 176.300 -0.000 0.000 1.166 97 D CA 0.448 54.432 54.000 -0.027 0.000 0.881 97 D CB 1.298 42.096 40.800 -0.004 0.000 1.164 97 D HN 0.641 nan 8.370 nan 0.000 0.467 98 E N 3.325 123.534 120.200 0.015 0.000 2.118 98 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 98 E C 1.869 178.636 176.600 0.277 0.000 0.992 98 E CA 0.819 57.275 56.400 0.094 0.000 0.804 98 E CB 0.147 29.923 29.700 0.128 0.000 0.741 98 E HN 0.558 nan 8.360 nan 0.000 0.458 99 R N 0.152 120.769 120.500 0.194 0.000 2.235 99 R HA -0.024 4.316 4.340 -0.000 0.000 0.213 99 R C 1.341 177.722 176.300 0.135 0.000 1.059 99 R CA 1.520 57.718 56.100 0.163 0.000 0.997 99 R CB -0.049 30.284 30.300 0.055 0.000 0.884 99 R HN 0.077 nan 8.270 nan 0.000 0.462 100 S N -0.003 115.766 115.700 0.114 0.000 2.749 100 S HA 0.185 4.655 4.470 -0.000 0.000 0.246 100 S C 0.073 174.720 174.600 0.078 0.000 1.023 100 S CA -0.892 57.358 58.200 0.083 0.000 1.012 100 S CB 0.182 63.406 63.200 0.041 0.000 0.942 100 S HN 0.211 nan 8.310 nan 0.000 0.531 101 L N 3.898 125.181 121.223 0.099 0.000 2.416 101 L HA 0.586 4.926 4.340 -0.000 0.000 0.272 101 L C 0.064 176.961 176.870 0.044 0.000 1.161 101 L CA 0.986 55.840 54.840 0.024 0.000 0.845 101 L CB 0.836 42.861 42.059 -0.056 0.000 1.119 101 L HN 0.489 nan 8.230 nan 0.000 0.464 102 T N 1.680 116.238 114.554 0.007 0.000 2.901 102 T HA 0.333 4.683 4.350 -0.000 0.000 0.293 102 T C 0.600 175.293 174.700 -0.012 0.000 1.084 102 T CA -0.640 61.474 62.100 0.022 0.000 1.008 102 T CB 0.976 69.867 68.868 0.039 0.000 1.170 102 T HN 0.557 nan 8.240 nan 0.000 0.509 103 L N 1.505 122.733 121.223 0.008 0.000 2.046 103 L HA 0.203 4.543 4.340 -0.000 0.000 0.208 103 L C -0.975 175.941 176.870 0.076 0.000 1.077 103 L CA 1.680 56.523 54.840 0.006 0.000 0.747 103 L CB -1.581 40.479 42.059 0.002 0.000 0.896 103 L HN 0.548 nan 8.230 nan 0.000 0.432 104 P HA -0.163 nan 4.420 nan 0.000 0.216 104 P C 1.932 179.282 177.300 0.083 0.000 1.150 104 P CA 1.060 64.222 63.100 0.104 0.000 0.837 104 P CB -0.073 31.662 31.700 0.058 0.000 0.786 105 L N -0.734 120.507 121.223 0.030 0.000 2.017 105 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 105 L C 2.151 179.001 176.870 -0.035 0.000 1.073 105 L CA 1.706 56.547 54.840 0.001 0.000 0.745 105 L CB -1.596 40.453 42.059 -0.018 0.000 0.894 105 L HN -0.131 nan 8.230 nan 0.000 0.432 106 L N -0.688 120.472 121.223 -0.105 0.000 2.012 106 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 106 L C 2.417 179.163 176.870 -0.207 0.000 1.073 106 L CA 2.059 56.742 54.840 -0.262 0.000 0.748 106 L CB -0.959 40.842 42.059 -0.430 0.000 0.891 106 L HN 0.447 nan 8.230 nan 0.000 0.431 107 H N -1.568 117.521 119.070 0.033 0.000 2.387 107 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 107 H C 2.149 177.600 175.328 0.206 0.000 1.090 107 H CA 1.675 57.861 56.048 0.230 0.000 1.332 107 H CB 0.227 30.110 29.762 0.201 0.000 1.386 107 H HN 0.377 nan 8.280 nan 0.000 0.516 108 Q N -0.134 119.791 119.800 0.208 0.000 2.187 108 Q HA 0.026 4.366 4.340 -0.000 0.000 0.199 108 Q C 2.558 178.607 176.000 0.082 0.000 0.957 108 Q CA 0.909 56.788 55.803 0.128 0.000 0.857 108 Q CB -0.250 28.531 28.738 0.072 0.000 0.929 108 Q HN 0.506 nan 8.270 nan 0.000 0.453 109 A N 0.637 123.486 122.820 0.048 0.000 1.865 109 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 109 A C 1.955 179.579 177.584 0.067 0.000 1.191 109 A CA 1.490 53.533 52.037 0.010 0.000 0.623 109 A CB -0.944 18.022 19.000 -0.056 0.000 0.826 109 A HN 0.369 nan 8.150 nan 0.000 0.444 110 F N 1.094 121.013 119.950 -0.052 0.000 2.069 110 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 110 F C 2.209 178.052 175.800 0.072 0.000 1.113 110 F CA 2.312 60.331 58.000 0.031 0.000 1.214 110 F CB -0.430 38.662 39.000 0.154 0.000 0.978 110 F HN 0.385 nan 8.300 nan 0.000 0.474 111 E N -0.650 119.552 120.200 0.004 0.000 2.106 111 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 111 E C 2.101 178.622 176.600 -0.132 0.000 0.984 111 E CA 1.032 57.346 56.400 -0.144 0.000 0.806 111 E CB -0.188 29.536 29.700 0.041 0.000 0.750 111 E HN 0.492 nan 8.360 nan 0.000 0.458 112 Q N 0.255 120.018 119.800 -0.062 0.000 2.245 112 Q HA 0.009 4.349 4.340 -0.000 0.000 0.201 112 Q C 2.311 178.265 176.000 -0.077 0.000 0.955 112 Q CA 0.529 56.298 55.803 -0.057 0.000 0.870 112 Q CB 0.029 28.748 28.738 -0.031 0.000 0.945 112 Q HN 0.358 nan 8.270 nan 0.000 0.461 113 L N -0.028 121.142 121.223 -0.087 0.000 2.056 113 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 113 L C 2.291 179.094 176.870 -0.112 0.000 1.078 113 L CA 0.856 55.647 54.840 -0.081 0.000 0.749 113 L CB -0.405 41.628 42.059 -0.043 0.000 0.901 113 L HN 0.185 nan 8.230 nan 0.000 0.433 114 L N -0.910 120.190 121.223 -0.205 0.000 2.056 114 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 114 L C 2.870 179.665 176.870 -0.126 0.000 1.078 114 L CA 1.108 55.827 54.840 -0.201 0.000 0.749 114 L CB -0.492 41.363 42.059 -0.341 0.000 0.901 114 L HN 0.199 nan 8.230 nan 0.000 0.433 115 R N -0.284 120.146 120.500 -0.116 0.000 2.083 115 R HA -0.207 4.133 4.340 -0.000 0.000 0.237 115 R C 2.232 178.499 176.300 -0.056 0.000 1.137 115 R CA 1.482 57.538 56.100 -0.075 0.000 0.951 115 R CB -0.688 29.574 30.300 -0.063 0.000 0.851 115 R HN 0.191 nan 8.270 nan 0.000 0.434 116 L N 1.563 122.752 121.223 -0.056 0.000 1.989 116 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 116 L C 2.466 179.316 176.870 -0.033 0.000 1.071 116 L CA 1.841 56.655 54.840 -0.043 0.000 0.749 116 L CB -0.759 41.272 42.059 -0.048 0.000 0.890 116 L HN 0.193 nan 8.230 nan 0.000 0.431 117 Q N -1.024 118.754 119.800 -0.037 0.000 2.112 117 Q HA -0.314 4.026 4.340 -0.000 0.000 0.206 117 Q C 2.248 178.234 176.000 -0.023 0.000 0.987 117 Q CA 2.412 58.200 55.803 -0.025 0.000 0.858 117 Q CB -0.107 28.612 28.738 -0.031 0.000 0.905 117 Q HN 0.683 nan 8.270 nan 0.000 0.420 118 Q N -0.419 119.361 119.800 -0.033 0.000 2.084 118 Q HA -0.172 4.167 4.340 -0.000 0.000 0.202 118 Q C 2.013 178.001 176.000 -0.020 0.000 0.978 118 Q CA 1.396 57.182 55.803 -0.028 0.000 0.844 118 Q CB 0.091 28.808 28.738 -0.036 0.000 0.898 118 Q HN 0.351 nan 8.270 nan 0.000 0.426 119 E N -0.014 120.174 120.200 -0.021 0.000 2.106 119 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 119 E C 2.179 178.775 176.600 -0.007 0.000 0.984 119 E CA 0.906 57.297 56.400 -0.015 0.000 0.806 119 E CB -0.158 29.532 29.700 -0.017 0.000 0.750 119 E HN 0.187 nan 8.360 nan 0.000 0.458 120 V N 1.429 121.341 119.914 -0.004 0.000 2.407 120 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 120 V C 2.247 178.348 176.094 0.012 0.000 1.055 120 V CA 1.374 63.680 62.300 0.010 0.000 1.049 120 V CB -0.333 31.503 31.823 0.022 0.000 0.662 120 V HN 0.211 nan 8.190 nan 0.000 0.455 121 L N -0.687 120.537 121.223 0.003 0.000 2.585 121 L HA 0.363 4.703 4.340 -0.000 0.000 0.226 121 L C 1.469 178.336 176.870 -0.005 0.000 1.113 121 L CA 0.000 54.840 54.840 -0.001 0.000 0.876 121 L CB -0.438 41.617 42.059 -0.007 0.000 1.072 121 L HN 0.271 nan 8.230 nan 0.000 0.468 122 A N 0.000 122.816 122.820 -0.006 0.000 2.254 122 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 122 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 122 A CB 0.000 18.995 19.000 -0.007 0.000 0.831 122 A HN 0.000 nan 8.150 nan 0.000 0.486